==== 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 PUMP 28-MAY-98 1BRX . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.LUECKE,H.T.RICHTER,J.LANYI . 209 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 86.1 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 2.9 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 . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 0 0 0 0 1 2 0 1 0 2 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 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 6 A G 0 0 119 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.2 23.0 27.5 -17.2 2 7 A R > - 0 0 70 54,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.901 360.0-139.2 -99.7 126.0 22.7 30.6 -15.1 3 8 A P T > S+ 0 0 80 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.736 102.6 56.0 -56.0 -27.8 26.1 31.9 -13.9 4 9 A E T >> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.411 78.5 99.6 -87.9 4.2 24.8 32.7 -10.4 5 10 A W H <> S+ 0 0 130 -3,-2.0 4,-3.6 1,-0.2 5,-0.3 0.892 76.5 57.0 -55.1 -41.6 23.7 29.0 -10.1 6 11 A I H <> S+ 0 0 74 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.854 107.3 47.0 -59.4 -37.0 26.8 28.2 -8.1 7 12 A W H <> S+ 0 0 67 -3,-0.6 4,-1.8 -4,-0.2 -1,-0.2 0.849 113.9 49.4 -70.5 -36.9 25.9 30.9 -5.4 8 13 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.962 114.7 42.7 -67.5 -49.9 22.4 29.5 -5.4 9 14 A A H X S+ 0 0 30 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.839 116.1 50.4 -64.4 -35.1 23.6 25.9 -5.0 10 15 A L H X S+ 0 0 61 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.783 111.7 46.8 -73.7 -29.6 26.1 27.2 -2.4 11 16 A G H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.2 5,-0.3 0.924 112.1 50.8 -75.9 -45.9 23.3 29.1 -0.5 12 17 A T H X S+ 0 0 12 -4,-2.8 4,-2.7 40,-0.2 -2,-0.2 0.926 112.5 45.8 -54.6 -52.2 21.0 26.0 -0.6 13 18 A A H X S+ 0 0 44 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.940 116.1 46.1 -58.7 -48.1 23.8 23.7 0.8 14 19 A L H X S+ 0 0 55 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.835 114.9 45.2 -66.3 -38.8 24.7 26.3 3.5 15 20 A M H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 34,-0.2 0.892 113.9 53.3 -69.3 -35.1 21.1 27.0 4.5 16 21 A G H X S+ 0 0 14 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.934 110.6 44.9 -62.0 -45.6 20.7 23.2 4.4 17 22 A L H X S+ 0 0 111 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.792 112.7 51.4 -69.4 -31.2 23.7 22.6 6.7 18 23 A G H X S+ 0 0 5 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.898 107.1 52.6 -74.0 -41.6 22.6 25.4 9.1 19 24 A T H X S+ 0 0 16 -4,-2.4 4,-1.6 26,-0.2 -2,-0.2 0.946 114.0 43.8 -56.6 -52.2 19.0 24.0 9.5 20 25 A L H X S+ 0 0 104 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.884 108.3 53.5 -63.0 -47.5 20.4 20.5 10.4 21 26 A Y H X S+ 0 0 95 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.868 114.8 45.9 -55.1 -39.0 23.1 21.5 12.8 22 27 A F H X S+ 0 0 2 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.771 108.9 53.2 -74.4 -33.7 20.4 23.4 14.6 23 28 A L H < S+ 0 0 91 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.928 113.8 43.8 -68.1 -46.3 17.8 20.6 14.5 24 29 A V H >< S+ 0 0 70 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.955 114.7 46.7 -63.8 -51.7 20.3 18.2 16.1 25 30 A K H 3< S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 102.1 69.3 -63.4 -21.3 21.6 20.7 18.7 26 31 A G T >< S+ 0 0 24 -4,-1.0 2,-0.8 -5,-0.1 3,-0.7 0.431 77.7 94.0 -75.6 -1.8 18.0 21.5 19.4 27 32 A M T < S+ 0 0 140 -3,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.852 76.6 46.4 -97.2 103.3 17.6 18.0 20.9 28 33 A G T 3 S+ 0 0 81 -2,-0.8 2,-0.6 1,-0.2 -1,-0.2 0.325 77.7 131.9 139.2 16.0 18.1 18.3 24.6 29 34 A V < + 0 0 28 -3,-0.7 -1,-0.2 1,-0.2 -3,-0.0 -0.859 12.2 151.9-101.6 114.5 15.9 21.3 25.2 30 35 A S + 0 0 93 -2,-0.6 -1,-0.2 -3,-0.1 5,-0.0 0.566 47.6 106.9-106.6 -24.3 13.4 21.1 28.1 31 36 A D > - 0 0 80 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.387 65.8-146.9 -61.5 120.8 13.5 24.9 28.6 32 37 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.921 99.9 43.7 -53.2 -48.6 10.2 26.5 27.3 33 38 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.845 110.5 51.1 -67.1 -42.4 12.1 29.6 26.3 34 39 A A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.827 106.8 58.0 -66.8 -29.7 15.1 27.8 24.7 35 40 A K H X S+ 0 0 107 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 105.2 50.6 -61.9 -45.4 12.5 25.9 22.8 36 41 A K H X S+ 0 0 99 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.893 114.4 42.2 -57.9 -46.3 11.2 29.3 21.5 37 42 A F H X S+ 0 0 22 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.834 115.2 50.4 -73.4 -29.6 14.6 30.4 20.4 38 43 A Y H X S+ 0 0 52 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.823 109.5 50.7 -74.7 -33.9 15.5 27.0 18.9 39 44 A A H X S+ 0 0 53 -4,-2.5 4,-1.8 -5,-0.2 3,-0.2 0.941 115.7 42.0 -67.8 -46.7 12.2 26.8 16.9 40 45 A I H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.932 112.8 50.7 -65.1 -53.5 12.8 30.3 15.4 41 46 A T H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.688 116.4 41.7 -57.5 -31.1 16.6 30.0 14.7 42 47 A T H X S+ 0 0 13 -4,-1.0 4,-1.7 -3,-0.2 -1,-0.2 0.783 110.0 56.5 -87.6 -38.0 16.1 26.6 12.9 43 48 A L H X S+ 0 0 85 -4,-1.8 4,-3.1 -5,-0.2 5,-0.3 0.906 101.8 59.4 -61.0 -45.0 12.9 27.6 11.0 44 49 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.933 111.2 36.1 -52.5 -58.6 14.7 30.6 9.4 45 50 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.848 116.8 59.4 -67.8 -26.2 17.5 28.7 7.6 46 51 A A H X S+ 0 0 27 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.890 111.0 36.8 -63.8 -50.2 14.8 26.0 7.0 47 52 A I H X S+ 0 0 40 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.881 117.6 55.5 -68.2 -38.6 12.5 28.3 5.0 48 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.916 103.8 53.0 -56.5 -51.1 15.7 29.9 3.6 49 54 A F H X S+ 0 0 69 -4,-3.2 4,-2.3 -34,-0.2 3,-0.4 0.952 108.0 50.6 -47.4 -59.7 17.0 26.6 2.3 50 55 A T H X S+ 0 0 64 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.812 111.9 47.3 -51.0 -40.9 13.6 25.8 0.4 51 56 A M H X S+ 0 0 36 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.834 109.8 52.1 -75.2 -30.5 13.7 29.3 -1.3 52 57 A Y H X S+ 0 0 0 -4,-2.2 4,-2.7 -3,-0.4 -40,-0.2 0.871 111.6 48.1 -69.8 -35.0 17.4 28.9 -2.3 53 58 A L H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 109.2 53.7 -69.5 -42.2 16.4 25.6 -3.8 54 59 A S H < S+ 0 0 13 -4,-2.0 -2,-0.2 -5,-0.2 5,-0.2 0.953 114.4 40.1 -58.4 -50.6 13.5 27.2 -5.5 55 60 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.2 58.6 -63.4 -46.8 15.8 29.9 -7.1 56 61 A L H < S+ 0 0 34 -4,-2.7 2,-0.2 -48,-0.2 -1,-0.2 0.915 110.8 45.3 -44.8 -56.8 18.6 27.4 -7.9 57 62 A L S < S- 0 0 99 -4,-2.2 4,-0.0 2,-0.2 0, 0.0 -0.623 118.6 -92.0 -82.4 149.6 16.1 25.3 -10.1 58 63 A G S > S+ 0 0 47 -2,-0.2 3,-0.9 2,-0.1 2,-0.7 0.618 99.0 98.8 -42.1 -22.1 14.0 27.7 -12.3 59 64 A Y T 3 S+ 0 0 173 1,-0.2 -2,-0.2 -5,-0.2 3,-0.1 -0.551 77.2 40.7 -74.0 113.9 11.1 28.2 -9.9 60 65 A G T 3 S+ 0 0 1 -2,-0.7 16,-1.5 1,-0.5 2,-0.3 0.496 96.7 92.6 123.9 12.2 11.4 31.5 -8.0 61 66 A L < + 0 0 45 -3,-0.9 -1,-0.5 13,-0.2 2,-0.3 -0.998 45.9 174.6-141.3 134.6 12.6 33.6 -10.9 62 67 A T E -A 73 0A 62 11,-2.6 11,-3.5 -2,-0.3 2,-0.8 -0.931 34.8-117.4-134.4 157.5 10.6 35.7 -13.4 63 68 A M E -A 72 0A 102 -2,-0.3 -2,-0.0 9,-0.2 7,-0.0 -0.880 30.8-164.2 -98.4 104.8 11.4 38.1 -16.2 64 69 A V E -A 71 0A 11 7,-3.7 7,-3.4 -2,-0.8 2,-0.6 -0.846 18.0-131.0 -89.0 126.4 10.1 41.5 -15.1 65 70 A P E +A 70 0A 62 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.734 49.8 123.6 -87.9 118.3 9.9 43.9 -18.1 66 71 A F E > +A 69 0A 14 3,-2.8 3,-1.3 -2,-0.6 59,-0.1 -0.968 55.9 33.3-164.2 152.9 11.3 47.3 -17.7 67 72 A G T 3 S- 0 0 62 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.578 129.2 -62.5 73.6 12.2 13.9 49.6 -19.4 68 73 A G T 3 S+ 0 0 77 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.592 122.0 89.9 86.3 12.4 13.1 48.1 -22.8 69 74 A E E < S-A 66 0A 135 -3,-1.3 -3,-2.8 -5,-0.1 2,-0.6 -0.933 80.6-116.7-139.8 157.3 14.2 44.7 -21.5 70 75 A Q E -A 65 0A 113 -2,-0.3 -7,-0.1 -5,-0.3 -3,-0.0 -0.871 40.0-154.0 -92.4 128.5 12.9 41.6 -19.7 71 76 A N E -A 64 0A 27 -7,-3.4 -7,-3.7 -2,-0.6 2,-0.5 -0.930 14.0-123.2-115.0 127.4 14.8 41.5 -16.4 72 77 A P E -A 63 0A 44 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.514 35.5-179.8 -69.9 113.4 15.5 38.3 -14.3 73 78 A I E -A 62 0A 0 -11,-3.5 -11,-2.6 -2,-0.5 2,-1.2 -0.937 26.6-142.3-118.7 134.3 14.0 38.9 -10.9 74 79 A Y > + 0 0 3 -2,-0.4 3,-1.2 -13,-0.2 4,-0.3 -0.742 25.3 172.5 -98.8 86.8 14.3 36.3 -8.1 75 80 A W T >> + 0 0 69 -2,-1.2 3,-2.0 1,-0.2 4,-0.9 0.810 65.4 78.4 -63.1 -28.8 10.9 36.8 -6.5 76 81 A A H 3> S+ 0 0 0 -16,-1.5 4,-1.0 1,-0.3 -1,-0.2 0.733 81.2 68.0 -58.2 -20.9 11.4 33.8 -4.3 77 82 A R H <> S+ 0 0 7 -3,-1.2 4,-3.1 -17,-0.3 -1,-0.3 0.827 98.1 50.3 -66.0 -36.4 13.6 35.9 -2.0 78 83 A Y H <> S+ 0 0 3 -3,-2.0 4,-2.1 -4,-0.3 -1,-0.2 0.822 106.0 55.7 -74.1 -27.8 10.7 38.0 -0.9 79 84 A A H < S+ 0 0 33 -4,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.715 115.0 40.0 -72.4 -28.4 8.7 34.8 -0.1 80 85 A D H >X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 3,-1.1 0.905 115.3 49.6 -82.8 -52.4 11.5 33.8 2.2 81 86 A W H 3X S+ 0 0 28 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.833 99.9 69.0 -57.2 -34.5 12.2 37.3 3.7 82 87 A L H 3< S+ 0 0 76 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.872 116.3 21.2 -51.3 -42.9 8.5 37.6 4.4 83 88 A F H <> S+ 0 0 116 -3,-1.1 4,-1.1 -4,-0.4 -2,-0.2 0.801 123.2 51.2 -98.2 -39.1 8.8 34.9 7.1 84 89 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.936 104.7 54.6 -70.3 -43.9 12.4 34.8 8.2 85 90 A T H X S+ 0 0 12 -4,-1.4 4,-2.3 -5,-0.2 5,-0.2 0.923 108.5 48.4 -59.1 -43.9 13.0 38.5 8.8 86 91 A P H > S+ 0 0 18 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.892 113.2 49.8 -65.1 -31.0 10.0 38.8 11.3 87 92 A L H X S+ 0 0 35 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.897 108.1 50.4 -73.2 -38.5 11.4 35.6 13.1 88 93 A L H >X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 3,-0.6 0.952 112.5 48.8 -62.3 -42.2 14.9 37.0 13.4 89 94 A L H 3X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.740 107.8 56.7 -64.3 -26.3 13.2 40.1 14.8 90 95 A L H 3X S+ 0 0 51 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.767 103.0 52.8 -76.0 -30.8 11.3 37.7 17.1 91 96 A D H S+ 0 0 9 -4,-2.5 5,-3.2 1,-0.2 -1,-0.2 0.878 118.5 39.6 -52.9 -49.7 12.4 40.9 20.6 94 99 A L H ><5S+ 0 0 52 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.910 110.2 61.5 -66.1 -45.9 12.0 37.7 22.7 95 100 A L H 3<5S+ 0 0 15 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.915 114.4 32.8 -49.2 -50.8 15.7 37.8 23.8 96 101 A V T 3<5S- 0 0 60 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.350 115.0-115.0 -92.9 8.7 15.3 41.2 25.5 97 102 A D T < 5 - 0 0 139 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.973 45.2-170.3 57.1 62.2 11.7 40.5 26.5 98 103 A A < - 0 0 38 -5,-3.2 -1,-0.1 1,-0.1 2,-0.1 -0.340 19.7-104.7 -78.9 163.3 10.0 43.2 24.4 99 104 A D > - 0 0 119 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.340 26.6-107.3 -84.6 169.4 6.3 44.2 24.7 100 105 A Q H > S+ 0 0 166 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.931 118.4 55.9 -61.5 -46.6 3.4 43.3 22.5 101 106 A G H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.1 41.6 -53.2 -44.7 3.2 46.9 21.1 102 107 A T H > S+ 0 0 52 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.952 114.7 46.8 -70.0 -53.1 6.9 46.7 20.1 103 108 A I H X S+ 0 0 51 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.879 115.6 47.2 -56.6 -42.5 7.1 43.2 18.6 104 109 A L H X S+ 0 0 115 -4,-2.5 4,-3.8 -5,-0.2 5,-0.2 0.926 114.4 46.5 -63.3 -48.3 3.9 43.8 16.6 105 110 A A H X S+ 0 0 32 -4,-1.9 4,-2.8 -5,-0.4 -2,-0.2 0.887 115.2 47.5 -58.0 -47.1 5.1 47.2 15.4 106 111 A L H X S+ 0 0 9 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.968 117.5 41.3 -59.0 -55.2 8.5 45.6 14.6 107 112 A V H X S+ 0 0 45 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.874 116.6 49.1 -61.8 -39.7 6.8 42.6 12.8 108 113 A G H X S+ 0 0 36 -4,-3.8 4,-2.0 2,-0.2 -1,-0.2 0.912 112.2 48.3 -66.6 -43.8 4.2 45.0 11.1 109 114 A A H X S+ 0 0 11 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.892 111.1 53.3 -60.9 -39.6 7.1 47.3 10.0 110 115 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.936 104.2 54.3 -62.7 -50.9 8.9 44.3 8.7 111 116 A G H X S+ 0 0 26 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.943 111.0 43.4 -50.6 -54.6 6.0 43.1 6.6 112 117 A I H X S+ 0 0 107 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.906 110.6 57.8 -62.2 -37.9 5.6 46.4 4.8 113 118 A M H X S+ 0 0 21 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.945 117.1 31.5 -54.6 -51.7 9.4 46.6 4.3 114 119 A I H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 118.3 59.4 -74.7 -33.9 9.7 43.2 2.5 115 120 A G H X S+ 0 0 29 -4,-3.3 4,-1.0 -5,-0.4 -2,-0.2 0.770 107.9 43.1 -61.4 -34.7 6.2 43.9 1.1 116 121 A T H X S+ 0 0 8 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.851 108.9 59.2 -82.5 -30.8 7.3 47.1 -0.6 117 122 A G H X S+ 0 0 9 -4,-1.7 4,-3.0 -5,-0.3 -2,-0.2 0.908 104.3 50.4 -59.9 -46.5 10.5 45.4 -1.8 118 123 A L H X S+ 0 0 66 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.3 46.9 -56.3 -48.0 8.5 42.8 -3.8 119 124 A V H X S+ 0 0 65 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.906 112.3 49.4 -62.7 -44.5 6.4 45.5 -5.4 120 125 A G H < S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.944 112.4 49.8 -59.6 -41.4 9.5 47.5 -6.2 121 126 A A H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 117.6 39.5 -64.7 -34.2 10.9 44.2 -7.7 122 127 A L H < S+ 0 0 71 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.573 83.9 119.0 -93.9 -11.4 7.8 43.6 -9.7 123 128 A T < - 0 0 16 -4,-2.0 6,-0.1 -3,-0.3 -59,-0.0 -0.378 48.1-160.0 -62.2 125.8 7.1 47.2 -10.9 124 129 A K S S+ 0 0 149 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.490 75.2 82.4 -80.3 -14.2 7.2 47.4 -14.7 125 130 A V S >> S- 0 0 66 1,-0.2 4,-1.1 -59,-0.1 3,-0.7 -0.880 73.9-152.1 -98.4 101.5 7.7 51.2 -14.6 126 131 A Y H >> S+ 0 0 103 -2,-0.8 3,-0.7 1,-0.2 4,-0.7 0.838 90.4 53.4 -36.8 -55.4 11.5 51.7 -14.0 127 132 A S H >> S+ 0 0 78 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.861 106.2 52.6 -50.8 -48.1 11.1 55.1 -12.1 128 133 A Y H <> S+ 0 0 128 -3,-0.7 4,-2.4 1,-0.2 5,-0.3 0.701 90.4 75.6 -62.7 -31.4 8.6 53.7 -9.5 129 134 A R H 0 0 102 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.7 21.5 38.5 27.8 150 168 A A H > + 0 0 53 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.893 360.0 52.4 -61.8 -43.9 22.1 42.2 27.1 151 169 A S H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 114.5 40.7 -58.3 -50.1 25.7 41.4 25.9 152 170 A T H > S+ 0 0 19 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.770 116.2 51.6 -73.8 -25.5 24.4 38.7 23.5 153 171 A F H X S+ 0 0 24 -4,-2.0 4,-4.2 2,-0.2 5,-0.3 0.961 109.6 48.6 -74.1 -48.4 21.5 40.9 22.5 154 172 A K H X S+ 0 0 104 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.876 111.8 49.1 -58.1 -39.0 23.7 43.9 21.8 155 173 A V H X S+ 0 0 79 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.856 117.6 42.3 -68.5 -34.4 26.0 41.7 19.6 156 174 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.875 111.6 52.3 -79.5 -39.6 23.0 40.4 17.8 157 175 A R H X S+ 0 0 63 -4,-4.2 4,-2.4 1,-0.2 -2,-0.2 0.937 113.7 47.2 -60.5 -43.9 21.3 43.8 17.5 158 176 A N H X S+ 0 0 77 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.775 109.5 50.6 -68.4 -30.7 24.5 45.0 16.0 159 177 A V H X S+ 0 0 34 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.929 111.4 50.4 -70.4 -48.8 25.0 42.1 13.6 160 178 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.976 109.8 49.9 -49.6 -64.8 21.4 42.7 12.4 161 179 A V H X S+ 0 0 38 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.851 114.3 42.7 -42.3 -54.7 21.9 46.4 11.9 162 180 A V H < S+ 0 0 99 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.883 119.3 43.1 -66.4 -39.2 25.1 46.0 9.8 163 181 A L H >X S+ 0 0 32 -4,-2.4 3,-1.2 -3,-0.3 4,-0.6 0.935 112.8 48.6 -73.6 -49.0 23.9 43.1 7.7 164 182 A W H >< S+ 0 0 9 -4,-3.0 3,-1.5 -5,-0.3 -2,-0.2 0.900 104.2 61.4 -60.3 -40.0 20.4 44.3 6.9 165 183 A S T 3X S+ 0 0 46 -4,-1.8 4,-0.7 -5,-0.4 -1,-0.2 0.631 97.7 59.8 -61.0 -19.2 21.6 47.8 5.8 166 184 A A H <> S+ 0 0 32 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.3 0.739 92.2 69.4 -80.5 -27.3 23.7 46.1 3.0 167 185 A Y H S+ 0 0 18 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.896 112.1 51.9 -59.3 -38.1 18.9 47.9 0.2 169 187 A V H X S+ 0 0 76 -4,-0.7 4,-2.7 2,-0.2 5,-0.3 0.880 110.2 47.9 -63.3 -41.8 22.3 48.9 -1.3 170 188 A V H X S+ 0 0 8 -4,-1.9 4,-2.9 2,-0.2 7,-0.3 0.929 115.0 46.1 -63.8 -44.7 22.6 45.5 -3.1 171 189 A W H < S+ 0 0 15 -4,-2.6 6,-0.8 1,-0.2 5,-0.3 0.948 114.3 49.3 -61.5 -47.9 19.0 46.0 -4.4 172 190 A L H < S+ 0 0 55 -4,-3.3 6,-3.9 -5,-0.2 -2,-0.2 0.868 123.7 28.0 -60.3 -46.3 19.7 49.5 -5.3 173 191 A I H < S+ 0 0 52 -4,-2.7 7,-2.3 4,-0.2 8,-1.8 0.741 109.9 93.6 -89.0 -20.7 22.9 48.9 -7.3 174 192 A G S <>S- 0 0 0 -4,-2.9 5,-2.7 -5,-0.3 6,-0.4 0.423 101.7 -87.0 -58.2-169.0 21.9 45.4 -8.2 175 193 A S T 5S+ 0 0 25 1,-0.2 -1,-0.1 4,-0.2 -4,-0.1 0.536 128.7 62.5 -80.3 -5.8 20.1 44.1 -11.3 176 194 A E T 5S+ 0 0 1 -6,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 0.757 120.5 8.5 -86.9 -34.9 17.0 45.0 -9.4 177 195 A G T 5S+ 0 0 2 -6,-0.8 -4,-0.2 -7,-0.3 -5,-0.2 0.422 135.6 3.0-110.7-110.1 17.7 48.7 -9.2 178 196 A A T 5S- 0 0 41 -6,-3.9 -5,-0.2 -7,-0.1 -4,-0.1 0.737 80.6-138.2 -53.4 -33.1 20.5 50.7 -10.9 179 197 A G < + 0 0 50 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.2 0.934 68.1 116.9 70.2 45.7 21.7 47.6 -12.9 180 198 A I + 0 0 119 -7,-2.3 -6,-0.2 -6,-0.4 -5,-0.1 0.696 64.4 63.6-108.0 -35.7 25.5 48.3 -12.4 181 199 A V S S- 0 0 24 -8,-1.8 -1,-0.2 -7,-0.2 -2,-0.1 -0.789 93.0-123.0 -89.7 121.2 26.3 45.2 -10.4 182 200 A P > - 0 0 87 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.286 25.3-105.9 -64.2 158.6 25.6 42.1 -12.5 183 201 A L H > S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 113.7 67.6 -52.1 -36.6 23.2 39.5 -11.2 184 202 A N H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 106.4 32.0 -46.9 -65.0 26.1 37.2 -10.4 185 203 A I H > S+ 0 0 75 -3,-0.5 4,-3.7 2,-0.2 -1,-0.2 0.782 116.1 61.0 -70.4 -26.2 27.8 39.1 -7.7 186 204 A E H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 108.6 42.6 -63.7 -43.0 24.4 40.4 -6.6 187 205 A T H X S+ 0 0 3 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.803 116.8 49.9 -69.1 -34.4 23.4 36.7 -5.9 188 206 A L H X S+ 0 0 36 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.944 112.0 45.0 -68.6 -54.1 26.8 36.1 -4.4 189 207 A L H X S+ 0 0 63 -4,-3.7 4,-2.8 2,-0.2 3,-0.2 0.940 116.2 46.5 -57.1 -51.4 26.6 39.2 -2.0 190 208 A F H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.884 109.1 55.8 -58.6 -40.9 23.0 38.3 -1.0 191 209 A M H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.862 111.3 44.5 -59.3 -36.5 24.1 34.7 -0.5 192 210 A V H X S+ 0 0 69 -4,-1.8 4,-1.3 -3,-0.2 -2,-0.2 0.890 114.0 48.9 -75.3 -38.9 26.8 36.0 2.0 193 211 A L H >X S+ 0 0 22 -4,-2.8 4,-3.0 1,-0.2 3,-0.7 0.984 113.8 46.6 -62.9 -53.5 24.3 38.4 3.6 194 212 A D H 3X S+ 0 0 0 -4,-3.4 4,-1.4 1,-0.2 5,-0.5 0.864 110.2 49.5 -58.4 -43.9 21.7 35.6 4.0 195 213 A V H 3X>S+ 0 0 22 -4,-1.9 5,-1.9 -5,-0.2 4,-0.8 0.785 118.6 42.2 -69.1 -21.9 24.0 32.9 5.4 196 214 A S H <<>S+ 0 0 41 -4,-1.3 5,-2.6 -3,-0.7 -2,-0.2 0.920 113.3 48.0 -84.5 -51.3 25.3 35.5 8.0 197 215 A A H <5S+ 0 0 2 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.729 131.5 24.6 -59.8 -26.6 22.1 37.1 9.0 198 216 A K H X5S+ 0 0 4 -4,-1.4 4,-2.7 -5,-0.3 -3,-0.2 0.827 134.2 24.9-104.5 -67.3 20.7 33.6 9.4 199 217 A V H X5S+ 0 0 23 -4,-0.8 4,-3.2 -5,-0.5 -3,-0.2 0.954 129.1 43.5 -69.2 -46.3 23.4 30.9 10.1 200 218 A G H >< S+ 0 0 5 -4,-2.6 3,-1.1 -5,-0.2 5,-0.4 0.976 119.8 39.3 -68.7 -63.8 22.6 33.1 19.4 206 224 A L H 3< S+ 0 0 27 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.772 115.0 55.3 -62.3 -25.8 22.1 29.4 20.0 207 225 A R H 3< S+ 0 0 181 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.729 99.5 84.7 -77.7 -21.0 25.8 29.0 21.0 208 226 A S S << S- 0 0 38 -3,-1.1 -3,-0.1 -4,-0.7 -4,-0.0 -0.130 85.2-121.7 -79.3 172.7 25.3 31.7 23.6 209 227 A R 0 0 251 1,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.033 360.0 360.0 -98.9 21.5 23.9 31.6 27.2 210 228 A A 0 0 47 -5,-0.4 -2,-0.1 -61,-0.1 -1,-0.0 -0.491 360.0 360.0 -68.6 360.0 21.2 34.1 26.3