==== 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 PHOTORECEPTOR 26-JUL-97 1AP9 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR E.PEBAY-PEYROULA,G.RUMMEL,J.P.ROSENBUSCH,E.M.LANDAU . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 74.3 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 . 0 0.0 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 . 0 0.0 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 0.5 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.1 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 3 0 0 0 1 0 0 1 0 0 0 0 0 0 1 2 0 0 1 0 0 1 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 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 . 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 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 7 A R > 0 0 87 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -53.2 23.9 31.3 -14.8 2 8 A P T 3 + 0 0 73 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.424 360.0 65.7 -77.0 5.3 26.9 32.7 -12.8 3 9 A E T 3> S+ 0 0 14 1,-0.1 4,-2.6 2,-0.1 3,-0.2 0.573 74.8 90.8 -98.4 -12.0 24.8 32.8 -9.6 4 10 A W H <> S+ 0 0 148 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.861 85.0 49.8 -51.1 -45.6 24.4 29.0 -9.4 5 11 A I H > S+ 0 0 106 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.932 114.5 45.1 -64.2 -38.8 27.5 28.5 -7.2 6 12 A W H > S+ 0 0 70 -4,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.810 115.2 50.1 -72.9 -30.6 26.3 31.3 -4.8 7 13 A L H X S+ 0 0 7 -4,-2.6 4,-1.6 2,-0.2 3,-0.2 0.994 116.8 37.2 -67.8 -62.9 22.8 29.8 -4.9 8 14 A A H X S+ 0 0 40 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.783 118.2 50.0 -61.1 -34.7 23.7 26.2 -4.2 9 15 A L H X S+ 0 0 74 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.812 108.0 55.7 -73.0 -32.0 26.5 27.2 -1.7 10 16 A G H X S+ 0 0 2 -4,-1.1 4,-0.6 -3,-0.2 -2,-0.2 0.858 109.8 44.7 -66.3 -37.1 24.0 29.4 -0.0 11 17 A T H X S+ 0 0 10 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.835 112.8 52.9 -74.2 -32.8 21.7 26.4 0.4 12 18 A A H < S+ 0 0 52 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.876 107.4 50.3 -69.4 -38.9 24.8 24.4 1.5 13 19 A L H < S+ 0 0 62 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.654 119.1 37.7 -74.6 -16.4 25.6 27.0 4.2 14 20 A M H X S+ 0 0 2 -4,-0.6 2,-2.2 -3,-0.2 4,-1.9 0.653 104.7 71.1 -99.6 -31.0 22.0 26.9 5.5 15 21 A G T < S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -4,-0.1 -0.541 101.1 47.9 -84.1 66.5 21.9 23.2 4.9 16 22 A L T > S+ 0 0 79 -2,-2.2 4,-3.4 -3,-0.2 -1,-0.2 0.023 107.3 48.4-166.7 -53.2 24.3 22.8 7.8 17 23 A G H > S+ 0 0 2 -4,-0.4 4,-2.6 2,-0.3 5,-0.5 0.907 107.9 54.6 -69.6 -43.4 22.8 25.0 10.6 18 24 A T H < S+ 0 0 26 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.864 116.7 42.4 -58.3 -30.7 19.3 23.5 10.1 19 25 A L H > S+ 0 0 117 -5,-0.3 4,-0.7 2,-0.2 -2,-0.3 0.910 120.2 39.3 -80.7 -47.4 21.2 20.3 10.7 20 26 A Y H >X S+ 0 0 170 -4,-3.4 3,-1.6 1,-0.2 4,-1.0 0.988 118.2 46.2 -65.9 -59.7 23.4 21.4 13.5 21 27 A F H 3X S+ 0 0 18 -4,-2.6 4,-1.2 1,-0.3 -1,-0.2 0.645 104.9 63.2 -59.1 -20.2 20.9 23.5 15.4 22 28 A L H 34 S+ 0 0 89 -5,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.776 98.6 55.4 -76.6 -26.4 18.2 20.8 15.1 23 29 A V H << S+ 0 0 125 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.887 110.9 42.0 -72.7 -41.1 20.3 18.4 17.2 24 30 A K H >< S+ 0 0 82 -4,-1.0 3,-0.6 2,-0.1 -1,-0.2 0.786 103.1 86.2 -76.9 -29.2 20.7 20.8 20.2 25 31 A G T 3< S+ 0 0 11 -4,-1.2 3,-0.1 1,-0.2 9,-0.1 -0.034 71.4 46.2 -65.0 174.2 17.1 21.9 20.0 26 32 A M T 3 S+ 0 0 145 1,-0.2 2,-1.2 8,-0.2 -1,-0.2 0.567 73.7 137.0 67.0 10.2 14.1 20.1 21.7 27 33 A G < - 0 0 41 -3,-0.6 2,-1.3 6,-0.1 3,-0.4 -0.743 48.4-148.2 -91.1 94.0 16.2 19.8 24.9 28 34 A V + 0 0 125 -2,-1.2 -1,-0.0 1,-0.2 -3,-0.0 -0.462 54.8 122.0 -68.2 90.3 13.7 20.7 27.6 29 35 A S S S+ 0 0 99 -2,-1.3 -1,-0.2 1,-0.5 3,-0.0 0.680 82.0 13.5-112.3 -45.5 15.8 22.4 30.3 30 36 A D > - 0 0 91 -3,-0.4 4,-1.4 1,-0.1 -1,-0.5 -0.995 64.1-139.2-135.7 138.1 14.0 25.7 30.4 31 37 A P H > S+ 0 0 104 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.794 109.1 50.5 -65.2 -28.7 10.5 26.6 28.9 32 38 A D H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.824 105.5 53.9 -77.7 -35.0 12.0 30.0 27.9 33 39 A A H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.804 102.1 62.5 -68.7 -29.4 15.1 28.4 26.2 34 40 A K H X S+ 0 0 42 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.899 105.0 42.6 -61.7 -48.6 12.7 26.2 24.2 35 41 A K H X S+ 0 0 103 -4,-0.9 4,-1.5 2,-0.2 5,-0.2 0.886 113.4 54.0 -67.0 -39.3 11.0 29.2 22.4 36 42 A F H X S+ 0 0 42 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.925 114.1 41.1 -60.9 -45.1 14.4 30.8 21.9 37 43 A Y H < S+ 0 0 64 -4,-2.4 3,-0.3 2,-0.2 5,-0.3 0.973 105.8 63.9 -65.9 -55.6 15.8 27.7 20.2 38 44 A A H X S+ 0 0 47 -4,-2.7 4,-0.8 1,-0.2 3,-0.5 0.823 106.7 42.9 -32.9 -60.1 12.7 26.9 18.1 39 45 A I H >X S+ 0 0 25 -4,-1.5 4,-2.2 1,-0.3 2,-2.0 0.892 104.5 62.2 -59.6 -49.0 13.0 30.0 16.1 40 46 A T H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.229 111.1 40.1 -80.4 52.8 16.7 29.9 15.5 41 47 A T H 34 S+ 0 0 11 -2,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.125 112.2 54.7-164.3 -24.2 16.4 26.6 13.6 42 48 A L H S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.678 115.1 59.3 -74.5 -10.6 17.7 29.1 8.4 45 51 A A H > S+ 0 0 27 2,-0.2 4,-1.3 -4,-0.2 -2,-0.2 0.823 105.1 45.4 -82.1 -36.2 15.2 26.4 7.5 46 52 A I H X S+ 0 0 52 -4,-1.8 4,-2.0 -3,-0.2 -3,-0.1 0.918 116.2 45.8 -74.1 -43.6 12.8 28.7 5.7 47 53 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.878 107.1 60.2 -66.0 -35.5 15.6 30.5 3.9 48 54 A F H X S+ 0 0 66 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.902 107.3 44.8 -56.3 -45.9 17.2 27.1 3.0 49 55 A T H < S+ 0 0 78 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.928 114.3 50.7 -64.0 -43.6 14.0 26.1 1.1 50 56 A M H >X S+ 0 0 33 -4,-2.0 4,-1.9 2,-0.2 3,-0.5 0.853 108.7 49.2 -62.6 -42.6 13.9 29.5 -0.5 51 57 A Y H 3X S+ 0 0 13 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.881 109.0 53.2 -65.1 -39.0 17.5 29.4 -1.7 52 58 A L H 3X S+ 0 0 58 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.3 0.647 105.8 57.9 -68.1 -14.7 16.8 26.0 -3.1 53 59 A S H <4>S+ 0 0 13 -3,-0.5 5,-1.1 -4,-0.4 -2,-0.2 0.911 107.0 43.3 -78.5 -49.5 13.9 27.8 -4.8 54 60 A M H <5S+ 0 0 9 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.831 114.4 53.4 -63.3 -32.9 16.2 30.3 -6.6 55 61 A L H <5S+ 0 0 49 -4,-2.2 2,-1.1 1,-0.2 -1,-0.2 0.921 107.7 50.7 -68.3 -46.7 18.5 27.3 -7.4 56 62 A L T <5S- 0 0 111 -4,-1.5 2,-1.4 -5,-0.1 -1,-0.2 -0.496 128.6 -80.9 -97.4 66.6 15.7 25.3 -9.0 57 63 A G T 5S+ 0 0 72 -2,-1.1 -3,-0.1 -3,-0.5 -4,-0.1 -0.089 91.2 121.2 73.0 -37.9 14.2 27.8 -11.4 58 64 A Y < + 0 0 148 -2,-1.4 -1,-0.1 -5,-1.1 -8,-0.0 0.054 38.4 68.3 -55.9 169.7 12.0 29.7 -9.1 59 65 A G + 0 0 9 14,-0.1 14,-0.1 -3,-0.1 13,-0.1 0.745 53.7 125.3 82.2 106.9 12.2 33.5 -8.5 60 66 A L + 0 0 126 11,-0.1 12,-0.7 2,-0.1 -2,-0.0 0.382 7.4 136.3-152.5 -62.5 11.2 35.6 -11.5 61 67 A T - 0 0 51 10,-0.1 61,-0.2 60,-0.1 -1,-0.0 0.359 59.3-112.2 -12.8 101.8 8.5 38.3 -11.3 62 68 A M - 0 0 82 59,-0.2 60,-3.2 1,-0.1 4,-0.1 0.459 20.8-149.7 -40.7 170.6 10.0 41.3 -13.2 63 69 A V S S- 0 0 1 7,-0.4 2,-1.1 58,-0.3 60,-0.3 -0.103 78.9 -5.1-120.7-148.1 11.2 44.8 -12.4 64 70 A P S S- 0 0 38 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.341 138.7 -23.9 -56.7 97.8 11.0 47.7 -14.9 65 71 A F S S- 0 0 152 -2,-1.1 4,-0.4 -3,-0.1 5,-0.3 0.908 78.5-156.5 62.9 107.8 9.6 45.7 -17.8 66 72 A G + 0 0 19 -3,-0.2 4,-0.1 1,-0.1 -5,-0.0 -0.542 66.0 50.1-105.0 173.8 10.3 42.0 -17.8 67 73 A G S S+ 0 0 93 3,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.012 104.6 66.9 88.3 -30.3 10.5 39.4 -20.6 68 74 A E S S- 0 0 163 -3,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.875 124.7 -53.3 -88.3 -43.7 12.8 41.7 -22.6 69 75 A Q S S+ 0 0 158 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.199 94.7 99.2-154.8 -81.2 15.8 41.6 -20.3 70 76 A N - 0 0 68 -5,-0.3 -7,-0.4 -6,-0.2 2,-0.3 -0.035 51.1-158.8 -37.9 99.8 16.0 42.4 -16.5 71 77 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.666 17.6 172.3 -86.4 132.4 16.0 39.0 -14.5 72 78 A I - 0 0 12 -12,-0.7 2,-0.5 -2,-0.3 -10,-0.1 -0.902 29.4-128.1-139.5 164.2 14.9 39.1 -10.9 73 79 A Y + 0 0 27 -2,-0.3 4,-0.4 1,-0.1 3,-0.1 -0.968 18.4 175.0-118.6 119.7 14.2 36.8 -7.9 74 80 A W S > S+ 0 0 94 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.628 75.1 78.2 -92.2 -18.8 10.9 37.2 -5.9 75 81 A A T 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.765 85.1 65.6 -59.7 -26.9 11.7 34.2 -3.8 76 82 A R T >> S+ 0 0 20 1,-0.2 3,-2.2 2,-0.2 4,-2.0 0.981 103.9 39.7 -62.1 -58.9 14.1 36.4 -1.8 77 83 A Y H 3> S+ 0 0 5 -4,-0.4 4,-2.1 1,-0.3 5,-0.3 0.816 104.3 72.1 -61.2 -26.8 11.4 38.7 -0.3 78 84 A A H 3< S+ 0 0 24 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.650 110.7 30.3 -62.6 -16.0 9.3 35.6 0.1 79 85 A D H <4 S+ 0 0 1 -3,-2.2 3,-0.3 -4,-0.3 -2,-0.2 0.730 111.8 60.1-111.7 -33.4 11.7 34.7 2.9 80 86 A W H >X S+ 0 0 18 -4,-2.0 4,-1.7 1,-0.3 3,-0.9 0.812 107.3 50.4 -64.0 -30.7 12.9 38.1 4.2 81 87 A L T 3< S+ 0 0 58 -4,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.749 116.3 44.0 -75.5 -25.2 9.2 38.8 5.1 82 88 A F T 34 S+ 0 0 126 -3,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.219 121.3 36.2-111.6 36.3 9.3 35.3 6.7 83 89 A T T <> S+ 0 0 2 -3,-0.9 4,-1.9 -37,-0.1 3,-0.3 0.337 105.3 58.2-147.9 -49.5 12.7 35.7 8.6 84 90 A T H X S+ 0 0 18 -4,-1.7 4,-0.9 1,-0.2 5,-0.1 0.856 104.5 53.1 -60.5 -38.9 13.1 39.3 9.8 85 91 A P H 4 S+ 0 0 17 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.818 114.1 41.6 -67.9 -33.1 9.9 39.3 11.9 86 92 A L H 4 S+ 0 0 49 -3,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.761 108.4 58.8 -83.6 -30.0 10.8 36.1 13.8 87 93 A L H < S+ 0 0 12 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.715 109.4 45.7 -70.6 -23.8 14.5 37.0 14.3 88 94 A L S X S+ 0 0 2 -4,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.622 102.9 64.4 -89.8 -19.4 13.3 40.2 16.1 89 95 A L T 4 S+ 0 0 65 -4,-0.3 4,-0.5 1,-0.2 -2,-0.2 0.657 103.3 49.4 -75.7 -14.9 10.9 38.0 18.1 90 96 A D T 4 S+ 0 0 2 -4,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.700 114.3 42.9 -93.4 -25.1 14.1 36.3 19.5 91 97 A L T > S+ 0 0 4 -4,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.444 112.6 53.4 -97.7 -5.3 15.7 39.7 20.3 92 98 A A T <>S+ 0 0 0 -4,-0.8 5,-2.3 2,-0.2 -3,-0.2 0.657 108.8 48.4 -97.0 -26.6 12.5 41.2 21.8 93 99 A L T 45S+ 0 0 57 -4,-0.5 3,-0.2 3,-0.2 -2,-0.2 0.757 108.4 55.3 -82.2 -25.5 12.0 38.2 24.1 94 100 A L T 45S+ 0 0 17 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.950 110.4 44.5 -69.1 -46.0 15.6 38.5 25.2 95 101 A V T <5S- 0 0 7 -4,-0.7 -1,-0.2 59,-0.1 -2,-0.2 0.480 107.9-134.5 -74.5 -5.0 14.9 42.2 26.1 96 102 A D T 5 + 0 0 102 -3,-0.2 -3,-0.2 1,-0.1 -2,-0.1 0.877 41.7 176.7 50.2 43.3 11.7 41.0 27.8 97 103 A A < - 0 0 27 -5,-2.3 -1,-0.1 1,-0.1 -5,-0.0 -0.320 31.5 -96.9 -76.6 160.0 9.8 43.8 26.1 98 104 A D > - 0 0 128 1,-0.1 4,-1.2 -2,-0.1 3,-0.3 -0.316 35.9-105.1 -73.5 158.5 6.1 44.5 26.2 99 105 A Q H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.659 113.1 72.5 -58.0 -16.0 3.7 43.3 23.5 100 106 A G H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.992 100.9 34.4 -64.0 -64.6 3.5 47.0 22.4 101 107 A T H > S+ 0 0 46 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.715 116.5 58.4 -66.1 -21.0 7.0 47.5 20.9 102 108 A I H X S+ 0 0 25 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.932 105.0 49.9 -72.5 -44.8 6.9 43.9 19.6 103 109 A L H >X S+ 0 0 125 -4,-1.9 4,-2.3 2,-0.2 3,-1.3 0.935 110.4 46.7 -58.7 -55.0 3.7 44.5 17.6 104 110 A A H 3X S+ 0 0 38 -4,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.912 108.3 60.7 -55.1 -38.6 4.9 47.7 15.9 105 111 A L H 3X S+ 0 0 8 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.3 0.731 107.3 42.8 -61.0 -27.4 8.1 45.8 15.2 106 112 A V H S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 5,-0.5 0.894 110.8 62.3 -67.9 -42.7 9.1 45.0 9.0 110 116 A G H X5S+ 0 0 25 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.937 111.3 38.8 -48.2 -47.7 6.0 43.6 7.3 111 117 A I H X5S+ 0 0 98 -4,-1.3 4,-3.6 1,-0.2 5,-0.3 0.867 110.3 62.5 -72.7 -32.1 5.8 46.9 5.4 112 118 A M H X5S+ 0 0 23 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.881 116.8 27.7 -59.5 -44.4 9.6 47.1 5.1 113 119 A I H X5S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.657 120.0 57.5 -91.8 -20.9 9.8 43.9 2.9 114 120 A G H X> - 0 0 165 -2,-0.3 3,-1.0 1,-0.1 4,-0.8 -0.642 14.7-141.9 -81.4 137.2 9.6 54.8 -9.5 128 134 A R H 3> S+ 0 0 9 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.469 102.5 64.8 -76.9 -3.0 11.2 51.8 -7.8 129 135 A F H 3> S+ 0 0 90 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.622 90.5 66.4 -90.4 -16.1 13.2 54.3 -5.8 130 136 A V H <> S+ 0 0 59 -3,-1.0 4,-1.8 2,-0.2 3,-0.3 0.983 107.9 36.4 -65.2 -58.3 9.9 55.4 -4.2 131 137 A W H X S+ 0 0 78 -4,-0.8 4,-3.0 1,-0.2 5,-0.3 0.864 111.1 60.8 -63.9 -38.9 9.4 52.1 -2.5 132 138 A W H X S+ 0 0 58 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.904 108.8 46.2 -56.6 -36.2 13.1 51.7 -1.8 133 139 A A H X S+ 0 0 49 -4,-1.6 4,-2.8 -3,-0.3 5,-0.2 0.895 110.9 49.8 -70.7 -43.5 12.7 54.9 0.2 134 140 A I H X S+ 0 0 72 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.873 113.3 47.8 -64.5 -35.0 9.6 53.8 2.0 135 141 A S H X S+ 0 0 14 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.744 111.6 49.9 -77.2 -25.9 11.3 50.6 2.9 136 142 A T H X S+ 0 0 39 -4,-1.2 4,-2.7 -5,-0.3 5,-0.2 0.890 110.6 48.3 -77.0 -42.9 14.4 52.4 4.1 137 143 A A H X S+ 0 0 68 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.830 110.5 54.2 -64.9 -29.0 12.4 54.8 6.3 138 144 A A H X S+ 0 0 16 -4,-1.3 4,-0.8 -5,-0.2 -1,-0.2 0.840 110.9 45.7 -71.5 -32.8 10.7 51.6 7.5 139 145 A M H X S+ 0 0 15 -4,-1.0 4,-1.5 2,-0.2 3,-0.5 0.885 106.5 54.9 -78.5 -42.0 14.1 50.2 8.4 140 146 A L H X S+ 0 0 94 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 101.4 62.9 -58.3 -37.6 15.6 53.3 10.2 141 147 A Y H X S+ 0 0 116 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.899 103.7 46.8 -51.6 -45.7 12.5 53.2 12.4 142 148 A I H X S+ 0 0 4 -4,-0.8 4,-2.8 -3,-0.5 -1,-0.2 0.805 109.1 53.8 -67.1 -37.2 13.6 49.7 13.7 143 149 A L H X S+ 0 0 17 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.842 109.6 49.5 -67.7 -32.3 17.2 51.0 14.3 144 150 A Y H <>S+ 0 0 134 -4,-2.1 5,-0.5 2,-0.2 -2,-0.2 0.988 116.5 40.5 -67.5 -57.3 15.7 53.8 16.3 145 151 A V H >X>S+ 0 0 25 -4,-2.7 5,-1.5 3,-0.2 4,-0.7 0.835 116.5 52.9 -60.1 -34.8 13.6 51.4 18.4 146 152 A L H 3<>S+ 0 0 4 -4,-2.8 5,-0.6 1,-0.2 4,-0.5 0.975 117.5 32.3 -68.7 -56.3 16.5 48.9 18.5 147 153 A F T 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 -0.008 132.5 31.5 -94.9 35.2 19.2 51.2 19.8 148 154 A F T <>5S+ 0 0 93 -3,-0.7 4,-1.6 -4,-0.1 -3,-0.2 0.359 123.8 34.4-144.5 -63.2 16.8 53.4 21.9 149 155 A G T <>4 + 0 0 118 -2,-0.7 3,-1.3 6,-0.2 -1,-0.2 -0.340 52.3 175.9 174.5 -75.8 20.2 45.1 31.8 156 162 A S T 3 S- 0 0 53 -3,-0.3 5,-0.1 1,-0.3 -2,-0.1 0.739 74.2 -75.5 52.2 33.4 17.6 42.9 33.5 157 163 A M T 3 S+ 0 0 147 1,-0.1 -1,-0.3 2,-0.1 5,-0.0 0.372 118.3 97.0 65.8 -7.3 19.9 42.0 36.5 158 164 A R < - 0 0 154 -3,-1.3 4,-0.2 1,-0.1 5,-0.1 -0.942 58.8-163.6-117.9 111.8 21.7 39.7 34.1 159 165 A P S >> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.825 90.2 54.5 -61.0 -32.3 24.9 41.1 32.5 160 166 A E H >> S+ 0 0 110 2,-0.2 4,-3.8 1,-0.2 3,-0.9 0.995 104.7 48.0 -65.5 -64.5 24.9 38.3 29.9 161 167 A V H 34 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.2 -6,-0.2 0.452 121.7 42.4 -59.0 3.1 21.3 38.8 28.5 162 168 A A H <4 S+ 0 0 17 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.612 122.9 31.7-120.4 -29.6 22.3 42.5 28.3 163 169 A S H S+ 0 0 4 -5,-0.3 4,-2.1 2,-0.1 -1,-0.2 0.578 99.0 59.8-105.5 -28.9 22.6 41.3 23.3 166 172 A K H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 103.2 51.7 -66.3 -41.5 24.9 44.3 22.6 167 173 A V H X S+ 0 0 65 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.739 109.1 52.2 -66.5 -22.3 27.0 41.9 20.4 168 174 A L H > S+ 0 0 1 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.882 106.0 52.7 -78.2 -42.3 23.7 41.1 18.7 169 175 A R H X S+ 0 0 47 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.839 110.2 48.4 -62.3 -35.9 23.0 44.8 18.1 170 176 A N H X S+ 0 0 86 -4,-1.9 4,-2.0 2,-0.2 5,-0.4 0.941 113.2 47.1 -69.2 -48.1 26.4 45.2 16.4 171 177 A V H X S+ 0 0 36 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.969 119.2 40.5 -55.7 -55.3 25.8 42.1 14.3 172 178 A T H X S+ 0 0 9 -4,-3.4 4,-3.3 2,-0.2 5,-0.3 0.923 113.5 50.8 -62.5 -52.3 22.3 43.3 13.3 173 179 A V H X S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.910 117.7 37.5 -55.4 -50.4 22.9 47.1 12.9 174 180 A V H X S+ 0 0 99 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.907 118.1 55.2 -68.0 -36.8 25.9 46.6 10.5 175 181 A L H X S+ 0 0 15 -4,-2.0 4,-0.7 -5,-0.4 3,-0.5 0.912 113.1 36.8 -58.4 -56.2 24.1 43.7 8.9 176 182 A W H < S+ 0 0 21 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 105.0 66.6 -73.1 -31.8 20.8 45.5 8.0 177 183 A S H X S+ 0 0 63 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.789 99.7 61.9 -58.0 -22.6 22.5 48.8 7.1 178 184 A A H >X S+ 0 0 23 -4,-0.7 4,-1.2 -3,-0.5 3,-0.6 0.960 88.5 60.8 -68.8 -58.8 23.9 46.6 4.3 179 185 A Y H >X S+ 0 0 35 -4,-0.7 3,-1.2 1,-0.2 4,-0.8 0.861 102.4 52.2 -38.9 -58.4 20.8 45.4 2.4 180 186 A P H >> S+ 0 0 17 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.843 109.3 47.1 -50.6 -47.3 19.6 48.9 1.3 181 187 A V H << S+ 0 0 86 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.716 107.0 60.5 -69.2 -20.2 22.9 50.1 -0.2 182 188 A V H <<>S+ 0 0 17 -4,-1.2 5,-0.6 -3,-1.2 3,-0.3 0.658 102.0 56.7 -80.1 -15.6 23.1 46.7 -2.0 183 189 A W H X<>S+ 0 0 13 -3,-1.0 3,-1.1 -4,-0.8 5,-1.1 0.961 100.4 46.8 -83.1 -59.2 19.8 47.5 -3.8 184 190 A L T 3<5S+ 0 0 57 -4,-1.1 -1,-0.2 5,-0.2 -2,-0.1 0.139 105.4 61.8 -78.9 26.5 20.2 50.8 -5.7 185 191 A I T 3 5S- 0 0 62 -3,-0.3 8,-1.7 5,-0.2 7,-1.6 0.403 125.5 -37.1-127.4 -1.7 23.6 50.0 -7.2 186 192 A G T < 5S+ 0 0 9 -3,-1.1 3,-0.2 5,-0.3 -3,-0.1 -0.063 116.2 66.6-178.3 -72.2 22.9 47.0 -9.4 187 193 A S T S+ 0 0 31 3,-0.1 4,-1.9 2,-0.1 -8,-0.1 0.852 121.2 64.8 -95.7 -44.2 23.0 39.9 -11.1 196 202 A N H >> S+ 0 0 61 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.906 110.8 32.2 -44.8 -66.6 26.1 37.8 -10.8 197 203 A I H >> S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.918 113.4 62.1 -63.3 -42.1 27.9 39.7 -8.0 198 204 A E H 3> S+ 0 0 3 1,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.803 99.8 57.6 -52.8 -33.4 24.7 40.8 -6.3 199 205 A T H S+ 0 0 33 -4,-2.8 5,-1.8 1,-0.2 4,-0.6 0.881 120.0 42.0 -59.3 -39.4 24.6 33.2 6.0 208 214 A S H <5S+ 0 0 58 -4,-1.7 5,-0.4 -5,-0.3 -1,-0.2 0.850 111.7 57.2 -74.2 -37.9 26.1 35.6 8.6 209 215 A A H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.727 123.5 16.3 -66.7 -28.0 22.7 37.2 9.3 210 216 A K H X5S+ 0 0 8 -4,-1.6 4,-3.9 3,-0.1 5,-0.2 0.789 132.7 32.4-112.6 -67.6 21.0 33.9 10.4 211 217 A V H X5S+ 0 0 13 -4,-0.6 4,-3.5 -5,-0.4 -3,-0.2 0.966 126.0 46.8 -59.1 -47.4 23.4 31.0 11.2 212 218 A G H 4> S+ 0 0 3 -5,-0.4 4,-1.7 -6,-0.2 3,-1.5 0.939 116.7 43.3 -65.8 -47.7 23.2 35.3 14.4 214 220 A G H 3< S+ 0 0 0 -4,-3.9 -2,-0.3 1,-0.3 -1,-0.2 0.831 103.7 65.0 -66.2 -32.7 22.1 31.9 15.7 215 221 A L T 3< S+ 0 0 114 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.364 105.3 47.6 -70.3 2.8 25.7 31.0 16.3 216 222 A I T <4 S+ 0 0 52 -3,-1.5 2,-2.1 -5,-0.2 -2,-0.2 0.734 105.1 58.0-101.9 -54.6 25.6 33.8 18.9 217 223 A L < 0 0 39 -4,-1.7 -1,-0.1 1,-0.2 -177,-0.1 -0.474 360.0 360.0 -79.3 69.9 22.3 32.6 20.5 218 224 A L 0 0 104 -2,-2.1 -1,-0.2 -3,-0.2 -3,-0.1 0.167 360.0 360.0-166.3 360.0 23.7 29.2 21.4