==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-MAY-09 3HAR . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR N.H.JOH,D.YANG,J.U.BOWIE . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 87.1 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 . 7 3.1 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 0 0 0 0 0 1 0 2 2 1 0 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 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 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 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.6 8.0 19.0 -18.9 2 7 A R > - 0 0 100 1,-0.1 3,-2.4 2,-0.0 4,-0.2 -0.436 360.0-122.9 -77.9 143.3 10.0 16.1 -17.5 3 8 A P T > S+ 0 0 85 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.773 108.7 63.6 -63.5 -24.6 8.0 13.2 -15.8 4 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.1 3,-1.1 0.571 76.4 94.3 -70.4 -7.4 10.0 13.6 -12.6 5 10 A W H <> S+ 0 0 130 -3,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.833 74.3 62.6 -56.2 -34.3 8.6 17.1 -12.2 6 11 A I H <> S+ 0 0 79 -3,-0.9 4,-2.1 1,-0.2 -1,-0.3 0.870 106.1 44.6 -62.1 -35.4 5.8 15.9 -10.0 7 12 A W H <> S+ 0 0 69 -3,-1.1 4,-2.4 -4,-0.2 -1,-0.2 0.826 111.3 52.7 -77.9 -31.3 8.2 14.7 -7.3 8 13 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.879 111.4 48.7 -66.3 -37.8 10.3 17.9 -7.6 9 14 A A H X S+ 0 0 27 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.928 113.0 44.9 -65.6 -47.7 7.0 19.8 -7.0 10 15 A L H X S+ 0 0 72 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.905 113.6 51.6 -64.8 -40.4 6.0 17.6 -4.0 11 16 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.920 109.1 50.1 -59.7 -45.5 9.6 17.9 -2.6 12 17 A T H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 112.5 47.7 -58.4 -47.9 9.5 21.7 -3.0 13 18 A A H X S+ 0 0 46 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.917 113.8 45.7 -59.8 -47.4 6.1 21.8 -1.1 14 19 A L H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.898 115.3 45.7 -70.7 -38.1 7.2 19.6 1.7 15 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.895 114.6 49.9 -69.1 -38.4 10.6 21.3 2.2 16 21 A G H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.946 113.4 44.5 -63.7 -48.2 8.8 24.7 2.0 17 22 A L H X S+ 0 0 118 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 51.4 -65.0 -41.5 6.2 23.8 4.6 18 23 A G H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.938 110.5 49.5 -59.2 -45.5 8.8 22.2 6.9 19 24 A T H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 111.3 48.4 -58.1 -48.7 10.9 25.4 6.7 20 25 A L H X S+ 0 0 105 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.914 112.6 48.1 -61.6 -44.5 7.9 27.6 7.5 21 26 A Y H X S+ 0 0 125 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 112.7 46.9 -64.2 -45.3 6.9 25.5 10.5 22 27 A F H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.879 112.4 52.1 -64.2 -35.6 10.3 25.3 12.0 23 28 A L H X S+ 0 0 83 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.922 109.3 48.5 -67.3 -45.1 10.8 29.0 11.5 24 29 A V H X S+ 0 0 101 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.950 116.6 42.5 -58.6 -48.5 7.5 29.8 13.3 25 30 A K H X S+ 0 0 100 -4,-2.4 4,-0.9 1,-0.2 3,-0.5 0.909 115.2 49.8 -65.9 -41.8 8.4 27.5 16.2 26 31 A G H < S+ 0 0 8 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.825 105.9 54.5 -69.9 -34.2 12.0 28.7 16.4 27 32 A M H < S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.753 107.2 53.8 -70.4 -24.3 11.1 32.4 16.4 28 33 A G H < S+ 0 0 67 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.712 90.5 90.4 -81.4 -23.9 8.9 31.7 19.4 29 34 A V < - 0 0 25 -4,-0.9 -3,-0.0 -3,-0.3 9,-0.0 -0.467 48.4-176.3 -76.8 142.0 11.5 30.0 21.6 30 35 A S + 0 0 112 -2,-0.2 -1,-0.1 5,-0.0 -4,-0.0 0.661 48.4 109.6-111.8 -20.4 13.7 32.1 23.9 31 36 A D > - 0 0 51 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.382 64.3-142.7 -54.2 118.7 16.0 29.5 25.3 32 37 A P H > S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.883 98.1 48.6 -53.8 -46.4 19.5 30.3 23.8 33 38 A D H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.952 113.2 46.9 -61.6 -49.6 20.5 26.6 23.4 34 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 106.8 58.7 -58.1 -41.3 17.2 25.7 21.8 35 40 A K H X S+ 0 0 81 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 102.5 54.7 -57.5 -37.6 17.5 28.7 19.5 36 41 A K H X S+ 0 0 125 -4,-1.5 4,-2.3 -3,-0.4 5,-0.2 0.935 109.2 45.9 -60.9 -49.0 20.8 27.3 18.1 37 42 A F H X S+ 0 0 18 -4,-1.6 4,-2.4 187,-0.2 -1,-0.2 0.894 112.6 51.6 -62.8 -39.2 19.2 24.0 17.2 38 43 A Y H X S+ 0 0 17 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.910 108.9 50.4 -62.9 -41.7 16.3 25.8 15.6 39 44 A A H X S+ 0 0 65 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.967 115.2 41.9 -60.6 -50.4 18.6 28.0 13.5 40 45 A I H X S+ 0 0 18 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.934 118.4 45.8 -61.3 -45.2 20.6 25.1 12.2 41 46 A T H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 110.0 51.8 -77.2 -26.6 17.6 22.9 11.6 42 47 A T H X S+ 0 0 18 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.850 105.7 57.3 -76.9 -33.9 15.5 25.5 9.9 43 48 A L H X S+ 0 0 83 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.841 96.2 66.2 -64.4 -31.7 18.3 26.3 7.5 44 49 A V H X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.964 108.7 33.0 -59.4 -60.9 18.4 22.6 6.3 45 50 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.787 114.1 63.6 -69.1 -22.6 15.0 22.4 4.6 46 51 A A H X S+ 0 0 28 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.952 107.2 42.0 -60.3 -47.1 15.4 26.1 3.6 47 52 A I H X S+ 0 0 27 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.945 115.0 50.3 -65.2 -47.6 18.4 25.2 1.4 48 53 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.907 107.2 55.1 -58.2 -42.4 16.7 22.1 0.1 49 54 A F H X S+ 0 0 71 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.917 107.5 49.5 -55.2 -46.9 13.6 24.1 -0.8 50 55 A T H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.891 114.7 44.3 -62.5 -38.4 15.7 26.5 -2.9 51 56 A M H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 113.3 48.9 -76.8 -41.1 17.4 23.6 -4.7 52 57 A Y H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.905 112.9 50.0 -59.3 -40.0 14.1 21.6 -5.3 53 58 A L H X S+ 0 0 59 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.938 109.6 49.9 -64.8 -46.7 12.5 24.8 -6.6 54 59 A S H <>S+ 0 0 49 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.915 113.2 46.6 -56.9 -45.8 15.5 25.5 -9.0 55 60 A M H ><5S+ 0 0 2 -4,-2.5 3,-1.9 3,-0.2 -1,-0.2 0.916 108.7 55.0 -64.2 -41.5 15.2 21.9 -10.3 56 61 A L H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.904 107.3 51.1 -54.7 -42.6 11.4 22.2 -10.7 57 62 A L T 3<5S- 0 0 124 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.272 129.4 -96.6 -85.2 7.8 12.0 25.3 -12.8 58 63 A G T < 5S+ 0 0 56 -3,-1.9 3,-0.3 1,-0.3 -3,-0.2 0.596 84.0 120.6 93.7 14.4 14.5 23.4 -15.0 59 64 A Y < + 0 0 164 -5,-2.7 -1,-0.3 1,-0.2 17,-0.1 -0.570 54.3 42.7-100.3 169.8 17.8 24.4 -13.5 60 65 A G S S+ 0 0 8 1,-0.2 16,-1.9 -2,-0.2 15,-0.9 0.689 86.2 116.3 68.6 20.8 20.6 22.2 -12.0 61 66 A L E +A 74 0A 49 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.979 35.5 168.6-122.0 131.0 20.2 19.7 -14.8 62 67 A T E -A 73 0A 57 11,-2.5 11,-3.1 -2,-0.4 2,-0.5 -0.958 32.7-118.7-137.5 158.7 23.0 18.8 -17.3 63 68 A M E -A 72 0A 87 -2,-0.3 7,-0.0 9,-0.2 -2,-0.0 -0.844 27.1-170.8 -98.6 129.0 23.6 16.1 -19.9 64 69 A V E -A 71 0A 7 7,-2.9 7,-2.3 -2,-0.5 2,-0.4 -0.983 18.0-134.1-121.2 125.0 26.6 13.9 -19.4 65 70 A P E +A 70 0A 48 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.663 44.8 134.5 -78.5 126.3 27.8 11.5 -22.1 66 71 A F E > +A 69 0A 11 3,-2.1 3,-1.4 -2,-0.4 59,-0.1 -0.915 58.8 23.7-162.2 152.1 28.7 8.0 -20.9 67 72 A G T 3 S- 0 0 57 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.727 130.0 -61.5 65.0 23.5 27.9 4.4 -22.0 68 73 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.517 118.1 89.7 84.6 8.1 27.4 5.7 -25.5 69 74 A E E < S-A 66 0A 134 -3,-1.4 -3,-2.1 -5,-0.1 2,-0.6 -0.862 80.3-109.4-133.5 163.7 24.4 7.9 -24.5 70 75 A Q E -A 65 0A 109 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.878 41.2-163.0 -92.9 117.4 23.5 11.4 -23.4 71 76 A N E -A 64 0A 23 -7,-2.3 -7,-2.9 -2,-0.6 2,-0.3 -0.901 16.6-129.0-113.5 129.0 22.4 11.0 -19.7 72 77 A P E -A 63 0A 27 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.590 29.1-174.4 -76.7 127.9 20.4 13.6 -17.7 73 78 A I E -A 62 0A 0 -11,-3.1 -11,-2.5 -2,-0.3 2,-1.3 -0.985 22.1-144.3-129.1 120.8 22.1 14.4 -14.4 74 79 A Y E > +A 61 0A 6 -2,-0.4 3,-0.7 -13,-0.2 4,-0.3 -0.691 24.7 171.2 -82.7 94.1 20.7 16.6 -11.6 75 80 A W T >> + 0 0 114 -2,-1.3 3,-1.2 -15,-0.9 4,-0.8 0.711 65.5 77.8 -78.0 -18.8 23.8 18.3 -10.3 76 81 A A H 3> S+ 0 0 4 -16,-1.9 4,-1.8 1,-0.3 3,-0.4 0.793 81.1 70.0 -60.0 -27.4 21.7 20.8 -8.1 77 82 A R H <> S+ 0 0 1 -3,-0.7 4,-2.7 -17,-0.3 -1,-0.3 0.886 96.3 52.4 -54.4 -40.7 21.2 17.9 -5.6 78 83 A Y H <> S+ 0 0 6 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.2 0.809 103.5 55.4 -71.0 -30.7 24.9 18.1 -4.7 79 84 A A H X S+ 0 0 27 -4,-0.8 4,-0.8 -3,-0.4 -1,-0.2 0.891 111.8 45.5 -65.1 -41.1 24.7 21.9 -4.1 80 85 A D H >X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 3,-1.0 0.980 115.9 45.2 -60.9 -56.5 21.9 21.1 -1.6 81 86 A W H 3X S+ 0 0 19 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.798 100.4 67.4 -65.9 -32.3 23.7 18.2 0.1 82 87 A L H 3< S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.879 117.3 25.1 -54.6 -37.8 27.1 20.0 0.3 83 88 A F H S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.866 110.7 55.6 -63.3 -33.6 27.2 19.1 7.5 87 92 A L H X S+ 0 0 32 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.934 108.0 47.6 -63.9 -44.6 24.3 21.0 9.1 88 93 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.928 112.4 49.7 -58.7 -45.7 22.6 17.8 10.1 89 94 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 107.7 54.3 -61.2 -38.8 25.9 16.4 11.4 90 95 A L H X S+ 0 0 53 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.908 104.4 54.6 -61.9 -40.7 26.4 19.6 13.4 91 96 A D H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.942 111.8 44.8 -54.6 -48.8 22.9 19.1 15.1 92 97 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.910 112.3 51.3 -63.5 -42.5 24.1 15.7 16.2 93 98 A A H X>S+ 0 0 2 -4,-2.6 5,-2.5 1,-0.2 4,-0.5 0.886 109.8 49.5 -63.1 -39.1 27.5 16.9 17.4 94 99 A L H ><5S+ 0 0 55 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.881 106.3 57.4 -68.7 -34.3 25.9 19.7 19.4 95 100 A L H 3<5S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.857 116.1 33.7 -63.7 -36.8 23.5 17.2 21.0 96 101 A V H 3<5S- 0 0 1 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.313 107.8-116.1-104.3 8.5 26.4 15.0 22.3 97 102 A D T <<5 - 0 0 104 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.921 45.8-166.9 55.9 46.2 28.9 17.7 23.1 98 103 A A < - 0 0 15 -5,-2.5 -1,-0.1 -6,-0.1 2,-0.1 -0.270 24.9 -95.3 -63.8 151.3 31.3 16.3 20.4 99 104 A D > - 0 0 91 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.371 26.7-120.6 -68.2 145.5 34.9 17.5 20.3 100 105 A Q H > S+ 0 0 175 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 114.1 52.3 -51.6 -45.3 35.8 20.3 18.0 101 106 A G H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 106.9 52.9 -63.4 -34.4 38.4 18.0 16.2 102 107 A T H > S+ 0 0 47 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.926 109.0 49.8 -65.7 -42.4 35.8 15.3 15.7 103 108 A I H X S+ 0 0 39 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.924 109.8 50.3 -62.5 -45.9 33.5 17.9 14.1 104 109 A L H X S+ 0 0 134 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.928 113.1 46.3 -58.8 -45.4 36.2 19.1 11.7 105 110 A A H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.901 114.2 48.0 -64.2 -43.1 37.0 15.6 10.6 106 111 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.933 113.8 45.4 -62.1 -49.2 33.3 14.7 10.1 107 112 A V H X S+ 0 0 55 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.911 113.6 51.7 -63.0 -42.1 32.6 17.9 8.1 108 113 A G H X S+ 0 0 38 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.937 111.8 45.5 -53.2 -52.7 35.8 17.2 6.1 109 114 A A H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.881 111.6 52.8 -61.2 -41.3 34.7 13.6 5.3 110 115 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.906 107.7 51.1 -63.1 -41.9 31.2 14.8 4.5 111 116 A G H X S+ 0 0 25 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.916 110.3 49.1 -59.1 -44.4 32.6 17.4 2.0 112 117 A I H X S+ 0 0 96 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.909 109.6 54.2 -60.9 -43.1 34.7 14.6 0.4 113 118 A M H X S+ 0 0 17 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.951 115.6 36.3 -55.7 -52.7 31.6 12.5 0.2 114 119 A I H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 118.3 51.0 -70.3 -44.9 29.5 15.1 -1.6 115 120 A G H X S+ 0 0 33 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.927 113.3 43.2 -58.7 -50.5 32.5 16.4 -3.7 116 121 A T H X S+ 0 0 17 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.865 111.4 56.5 -66.6 -33.7 33.6 13.0 -5.0 117 122 A G H X S+ 0 0 5 -4,-1.8 4,-2.7 -5,-0.4 -2,-0.2 0.939 109.3 46.5 -58.9 -45.6 29.9 12.1 -5.6 118 123 A L H X S+ 0 0 50 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.934 111.1 50.1 -62.0 -46.7 29.5 15.1 -7.8 119 124 A V H >X S+ 0 0 61 -4,-2.4 3,-0.7 1,-0.2 4,-0.6 0.950 112.3 49.2 -57.5 -47.4 32.8 14.3 -9.7 120 125 A G H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.928 108.2 53.7 -54.3 -47.8 31.4 10.8 -10.2 121 126 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 114.4 41.4 -60.0 -26.7 28.1 12.1 -11.4 122 127 A L H << S+ 0 0 72 -4,-1.5 -1,-0.3 -3,-0.7 2,-0.2 0.392 86.3 119.3-101.3 0.6 29.9 14.3 -14.1 123 128 A T << - 0 0 22 -3,-1.3 6,-0.1 -4,-0.6 -59,-0.0 -0.505 48.8-157.7 -82.6 135.5 32.5 11.8 -15.2 124 129 A K S S+ 0 0 151 -2,-0.2 2,-0.7 -58,-0.1 -57,-0.3 0.633 73.6 79.2 -88.5 -17.2 32.4 10.7 -18.9 125 130 A V S >> S- 0 0 74 1,-0.2 4,-1.4 -59,-0.1 3,-0.5 -0.860 75.6-146.3 -94.5 115.0 34.2 7.4 -18.6 126 131 A Y H >> S+ 0 0 79 -2,-0.7 4,-0.9 1,-0.3 3,-0.7 0.882 94.1 48.4 -54.4 -48.5 31.6 4.9 -17.4 127 132 A S H >> S+ 0 0 73 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.880 108.7 55.4 -61.5 -36.4 33.9 2.7 -15.3 128 133 A Y H <> S+ 0 0 134 -3,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.760 93.0 69.0 -70.1 -26.8 35.5 5.8 -13.6 129 134 A R H S+ 0 0 144 -4,-2.5 4,-3.2 -5,-0.2 5,-0.7 0.941 110.3 46.8 -59.4 -48.7 31.1 4.8 11.8 146 151 A V H <>S+ 0 0 17 -4,-2.5 5,-2.5 3,-0.2 6,-0.3 0.907 114.5 47.1 -61.2 -43.9 31.9 8.0 13.8 147 152 A L H <>S+ 0 0 0 -4,-2.4 5,-0.7 3,-0.2 -1,-0.2 0.919 118.6 40.8 -63.1 -41.6 28.2 8.7 14.4 148 153 A F H <5S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.938 132.5 19.4 -78.7 -44.8 27.5 5.2 15.5 149 154 A F T X5S+ 0 0 113 -4,-3.2 4,-1.7 -5,-0.2 -3,-0.2 0.943 131.5 36.4 -89.3 -56.8 30.6 4.4 17.6 150 155 A G H >< S+ 0 0 74 -4,-1.9 3,-1.9 1,-0.2 4,-0.2 0.903 107.4 59.0 -62.9 -41.0 29.8 10.8 23.9 155 160 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.800 90.8 71.5 -60.3 -28.0 26.0 10.5 24.2 156 161 A E T 3< S+ 0 0 111 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.645 93.6 55.1 -63.0 -18.5 26.5 8.1 27.2 157 162 A S T < S+ 0 0 112 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.455 96.1 85.2 -93.8 -3.6 27.8 11.0 29.3 158 163 A M S < S- 0 0 48 -3,-1.9 -62,-0.1 -4,-0.2 -63,-0.0 -0.463 97.7 -78.9 -90.5 165.3 24.6 13.1 28.7 159 164 A R >> - 0 0 117 -2,-0.1 4,-2.5 1,-0.1 3,-0.9 -0.350 48.8-109.7 -58.8 146.1 21.3 12.9 30.6 160 165 A P H 3> S+ 0 0 111 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.806 118.1 58.6 -49.3 -34.4 19.3 9.9 29.4 161 166 A E H 3> S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 62,-0.2 0.888 110.1 42.1 -63.4 -41.5 16.7 12.2 27.7 162 167 A V H <> S+ 0 0 6 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.932 114.8 50.5 -70.1 -47.2 19.4 13.7 25.5 163 168 A A H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 110.8 50.4 -56.4 -43.2 21.0 10.3 24.9 164 169 A S H X S+ 0 0 70 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.908 111.0 47.3 -62.7 -46.9 17.6 8.8 23.9 165 170 A T H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.928 111.6 51.9 -61.7 -45.6 16.9 11.7 21.4 166 171 A F H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.932 107.2 52.9 -56.3 -45.7 20.4 11.3 20.0 167 172 A K H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 108.3 49.2 -62.0 -39.7 19.9 7.6 19.4 168 173 A V H X S+ 0 0 68 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.943 116.1 43.1 -61.1 -48.7 16.6 8.0 17.5 169 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.888 112.8 52.4 -66.3 -39.0 18.2 10.7 15.3 170 175 A R H X S+ 0 0 29 -4,-3.4 4,-2.9 -5,-0.2 -1,-0.2 0.926 111.5 48.1 -58.2 -45.1 21.4 8.6 14.9 171 176 A N H X S+ 0 0 75 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.928 111.1 48.8 -64.7 -46.2 19.2 5.6 13.8 172 177 A V H X S+ 0 0 36 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.926 112.9 49.8 -57.1 -46.6 17.2 7.7 11.3 173 178 A T H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.944 110.6 47.3 -60.5 -50.5 20.5 9.0 9.9 174 179 A V H X S+ 0 0 44 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.940 115.9 45.2 -59.3 -47.2 22.2 5.6 9.5 175 180 A V H X S+ 0 0 99 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.938 120.4 37.7 -63.6 -49.3 19.1 4.1 7.8 176 181 A L H >X S+ 0 0 26 -4,-2.8 3,-1.3 -5,-0.2 4,-0.8 0.956 117.7 48.2 -71.3 -45.7 18.4 7.0 5.5 177 182 A W H >< S+ 0 0 12 -4,-2.9 3,-1.0 -5,-0.3 -2,-0.2 0.900 104.7 59.8 -63.9 -37.3 22.0 7.9 4.6 178 183 A S H 3< S+ 0 0 53 -4,-2.0 4,-0.5 -5,-0.4 -1,-0.3 0.701 100.1 58.5 -65.6 -19.7 23.0 4.3 3.9 179 184 A A H S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.856 111.8 51.2 -61.8 -29.9 24.7 5.3 -2.5 182 187 A V H > S+ 0 0 79 -4,-0.5 4,-2.1 -3,-0.5 5,-0.3 0.940 108.8 49.4 -72.6 -44.3 22.4 2.4 -3.5 183 188 A V H X S+ 0 0 13 -4,-2.5 4,-1.3 1,-0.2 7,-0.2 0.918 114.1 46.7 -57.1 -42.1 20.0 4.7 -5.2 184 189 A W H < S+ 0 0 13 -4,-2.3 6,-0.7 -5,-0.2 3,-0.2 0.936 110.6 52.8 -64.5 -46.2 22.9 6.4 -7.1 185 190 A L H < S+ 0 0 59 -4,-2.4 6,-3.3 1,-0.2 -1,-0.2 0.871 119.9 31.9 -58.2 -42.1 24.4 3.0 -8.0 186 191 A I H < S+ 0 0 57 -4,-2.1 8,-2.6 4,-0.2 7,-1.5 0.552 114.8 70.9 -95.2 -10.8 21.1 1.6 -9.6 187 192 A G S ><>S- 0 0 0 -4,-1.3 5,-2.7 -5,-0.3 3,-1.0 0.050 105.8 -59.6 -95.7-159.2 19.7 4.9 -10.9 188 193 A S T 3 5S+ 0 0 14 1,-0.3 -4,-0.1 6,-0.2 8,-0.1 0.742 129.7 49.9 -56.6 -33.8 20.4 7.6 -13.5 189 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.713 124.3 18.7 -80.5 -24.8 23.9 8.3 -12.3 190 195 A G T < 5S- 0 0 0 -3,-1.0 -4,-0.2 -6,-0.7 -5,-0.2 0.474 131.3 -5.5-112.6-109.1 25.0 4.7 -12.2 191 196 A A T 5S- 0 0 45 -6,-3.3 -5,-0.2 -7,-0.2 -3,-0.2 0.633 77.0-134.5 -73.7 -16.2 23.7 1.6 -13.8 192 197 A G < + 0 0 50 -5,-2.7 -5,-0.2 -7,-0.1 -4,-0.2 0.764 67.5 124.0 67.5 28.2 20.6 3.3 -15.3 193 198 A I + 0 0 127 -7,-1.5 -6,-0.2 -6,-0.3 -7,-0.1 0.910 62.8 57.0 -82.1 -47.8 18.3 0.5 -14.1 194 199 A V S S- 0 0 26 -8,-2.6 -6,-0.2 -11,-0.2 -1,-0.1 -0.769 95.5-120.1 -87.2 121.1 15.9 2.7 -12.1 195 200 A P > - 0 0 72 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.214 21.9-109.2 -62.3 155.2 14.4 5.5 -14.4 196 201 A L H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.838 116.1 57.3 -54.4 -39.2 15.0 9.1 -13.5 197 202 A N H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 112.3 40.4 -60.6 -44.4 11.3 9.7 -12.5 198 203 A I H > S+ 0 0 65 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.886 113.6 53.9 -70.8 -38.5 11.4 6.9 -9.9 199 204 A E H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.906 106.7 52.2 -60.1 -41.0 14.9 7.9 -8.7 200 205 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.911 109.4 50.6 -62.4 -42.0 13.6 11.4 -8.1 201 206 A L H X S+ 0 0 44 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.927 111.2 48.1 -55.5 -50.2 10.8 9.9 -6.0 202 207 A L H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.944 112.9 46.5 -61.2 -49.0 13.2 7.9 -4.0 203 208 A F H X S+ 0 0 1 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.845 111.4 54.0 -61.9 -32.4 15.6 10.8 -3.4 204 209 A M H X S+ 0 0 6 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.945 109.8 45.8 -67.5 -45.2 12.5 13.0 -2.5 205 210 A V H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 117.2 45.1 -62.3 -46.4 11.3 10.5 0.1 206 211 A L H X S+ 0 0 19 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.941 114.9 47.2 -61.5 -49.5 14.9 10.2 1.5 207 212 A D H X S+ 0 0 1 -4,-3.2 4,-1.2 2,-0.2 5,-0.4 0.920 113.9 46.2 -59.9 -48.8 15.5 13.9 1.5 208 213 A V H X>S+ 0 0 23 -4,-2.8 5,-2.0 1,-0.2 4,-1.4 0.935 115.9 46.4 -64.0 -44.4 12.2 14.9 3.2 209 214 A S H <>S+ 0 0 48 -4,-2.3 5,-1.5 -5,-0.3 -1,-0.2 0.906 113.7 48.6 -58.2 -44.6 12.6 12.1 5.8 210 215 A A H <5S+ 0 0 4 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.613 127.1 23.4 -76.3 -16.1 16.3 13.1 6.5 211 216 A K H X5S+ 0 0 4 -4,-1.2 4,-2.3 -3,-0.5 -3,-0.2 0.751 133.7 28.0-115.5 -62.3 15.6 16.8 6.9 212 217 A V H X5S+ 0 0 18 -4,-1.4 4,-2.6 -5,-0.4 -3,-0.2 0.923 126.9 45.2 -72.4 -44.3 11.9 17.5 7.8 213 218 A G H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 6,-0.3 0.934 114.9 48.2 -63.5 -48.5 14.8 16.9 17.2 219 224 A L H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.616 108.5 53.5 -78.9 -13.9 12.8 20.1 17.5 220 225 A R T 3< S+ 0 0 197 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.461 93.7 97.3 -92.0 -4.0 9.9 18.5 19.5 221 226 A S S X S- 0 0 5 -3,-1.3 3,-0.7 -4,-0.4 4,-0.1 -0.506 73.7-137.0 -87.4 153.3 12.4 17.0 22.1 222 227 A R G > S+ 0 0 140 1,-0.2 3,-1.6 -2,-0.2 -1,-0.1 0.615 93.1 86.0 -77.1 -10.8 13.3 18.5 25.5 223 228 A A G 3 S+ 0 0 9 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.718 78.5 61.6 -62.5 -24.8 16.9 17.6 24.6 224 229 A I G < 0 0 1 -3,-0.7 -1,-0.3 -6,-0.3 -187,-0.2 0.597 360.0 360.0 -80.9 -11.1 17.5 20.9 22.8 225 230 A F < 0 0 111 -3,-1.6 -3,-0.0 -192,-0.1 0, 0.0 -0.594 360.0 360.0 -86.9 360.0 16.8 23.0 25.9