==== 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 3HAP . 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) . 10403.0 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 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 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.1 7.3 18.5 -19.0 2 7 A R > - 0 0 96 1,-0.1 3,-2.5 2,-0.1 4,-0.2 -0.482 360.0-127.4 -71.1 134.1 9.7 16.0 -17.5 3 8 A P T > S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.763 106.4 61.7 -58.9 -26.2 7.8 13.1 -15.8 4 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.1 3,-1.0 0.547 76.6 94.7 -73.3 -7.4 9.8 13.5 -12.6 5 10 A W H <> S+ 0 0 126 -3,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.842 75.2 62.4 -55.7 -34.0 8.4 17.1 -12.2 6 11 A I H <> S+ 0 0 76 -3,-0.8 4,-2.3 -4,-0.2 -1,-0.3 0.880 105.8 44.6 -61.9 -36.7 5.6 15.9 -10.0 7 12 A W H <> S+ 0 0 68 -3,-1.0 4,-2.4 -4,-0.2 -1,-0.2 0.830 111.4 52.8 -78.6 -30.6 8.0 14.6 -7.3 8 13 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 111.2 48.5 -64.8 -41.4 10.1 17.9 -7.6 9 14 A A H X S+ 0 0 26 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.930 113.0 45.6 -63.7 -47.3 6.8 19.8 -7.0 10 15 A L H X S+ 0 0 70 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.902 112.8 51.6 -64.5 -39.7 5.8 17.6 -4.0 11 16 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.925 108.7 51.0 -59.9 -45.4 9.4 17.9 -2.6 12 17 A T H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 112.0 47.6 -57.5 -46.6 9.2 21.7 -3.0 13 18 A A H X S+ 0 0 45 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.926 113.9 45.3 -60.5 -48.7 5.9 21.7 -1.1 14 19 A L H X S+ 0 0 62 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.894 115.5 46.0 -69.3 -39.8 7.1 19.5 1.8 15 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.903 114.8 49.3 -66.8 -40.8 10.4 21.3 2.2 16 21 A G H X S+ 0 0 14 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.949 113.5 44.1 -62.9 -48.6 8.6 24.7 2.1 17 22 A L H X S+ 0 0 116 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.905 113.9 51.5 -63.7 -42.0 5.9 23.7 4.6 18 23 A G H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.940 110.7 48.8 -58.4 -47.2 8.6 22.1 6.9 19 24 A T H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 111.7 48.7 -58.2 -48.9 10.7 25.3 6.8 20 25 A L H X S+ 0 0 108 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 112.4 47.9 -60.7 -44.7 7.8 27.5 7.6 21 26 A Y H X S+ 0 0 104 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.918 112.7 47.9 -64.3 -44.0 6.6 25.4 10.5 22 27 A F H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.884 111.8 51.2 -64.8 -38.5 10.2 25.2 12.0 23 28 A L H X S+ 0 0 84 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.920 110.0 48.6 -63.7 -45.5 10.6 29.0 11.6 24 29 A V H X S+ 0 0 98 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.957 116.6 42.4 -60.9 -48.8 7.3 29.7 13.4 25 30 A K H X S+ 0 0 96 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.919 116.3 49.2 -62.7 -42.6 8.2 27.4 16.3 26 31 A G H < S+ 0 0 12 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.860 106.2 54.1 -67.2 -39.6 11.8 28.6 16.4 27 32 A M H < S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.741 106.7 56.3 -66.6 -24.5 11.0 32.3 16.4 28 33 A G H < S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.803 89.3 88.0 -76.7 -31.3 8.7 31.6 19.4 29 34 A V < - 0 0 34 -4,-1.0 -3,-0.0 -3,-0.4 9,-0.0 -0.368 50.0-171.3 -78.1 148.1 11.3 30.0 21.7 30 35 A S + 0 0 102 -2,-0.1 -1,-0.1 4,-0.0 5,-0.0 0.673 50.7 109.2-107.7 -25.3 13.5 32.1 24.1 31 36 A D > - 0 0 51 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.350 63.1-143.2 -58.6 122.4 16.0 29.4 25.3 32 37 A P H > S+ 0 0 88 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.894 98.6 48.2 -56.2 -44.4 19.4 30.2 23.8 33 38 A D H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.942 112.6 47.9 -61.7 -47.5 20.4 26.5 23.4 34 39 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 106.4 58.8 -62.2 -35.4 17.0 25.6 21.8 35 40 A K H X S+ 0 0 101 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.868 101.7 54.6 -61.5 -38.0 17.4 28.6 19.4 36 41 A K H X S+ 0 0 118 -4,-1.5 4,-2.4 -3,-0.4 5,-0.2 0.933 109.4 46.3 -61.2 -47.2 20.6 27.2 18.1 37 42 A F H X S+ 0 0 15 -4,-1.5 4,-2.5 187,-0.2 -2,-0.2 0.896 113.1 50.7 -63.3 -39.8 19.0 23.9 17.2 38 43 A Y H X S+ 0 0 23 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.915 109.6 50.0 -64.0 -42.0 16.1 25.8 15.6 39 44 A A H X S+ 0 0 67 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.964 115.9 41.0 -61.7 -50.0 18.4 27.9 13.5 40 45 A I H X S+ 0 0 16 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.932 118.2 47.2 -61.5 -46.1 20.4 25.0 12.2 41 46 A T H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.723 110.9 50.1 -75.6 -24.1 17.3 22.8 11.6 42 47 A T H X S+ 0 0 17 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.844 106.3 56.7 -79.4 -35.9 15.3 25.5 9.9 43 48 A L H X S+ 0 0 83 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.841 97.4 65.8 -62.5 -33.4 18.1 26.3 7.5 44 49 A V H X S+ 0 0 1 -4,-1.2 4,-2.0 1,-0.2 3,-0.2 0.962 108.4 33.2 -58.0 -61.9 18.2 22.6 6.3 45 50 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.783 114.0 63.7 -68.6 -22.1 14.8 22.4 4.6 46 51 A A H X S+ 0 0 29 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.940 106.5 42.2 -62.3 -44.7 15.1 26.0 3.6 47 52 A I H X S+ 0 0 31 -4,-2.4 4,-1.9 -3,-0.2 5,-0.2 0.931 114.6 51.1 -66.7 -44.6 18.1 25.1 1.4 48 53 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 5,-0.3 0.900 107.3 54.2 -60.7 -40.2 16.4 22.0 0.1 49 54 A F H X S+ 0 0 75 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.938 107.5 50.3 -56.6 -47.1 13.3 24.1 -0.8 50 55 A T H X S+ 0 0 68 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.888 114.9 43.0 -63.1 -36.5 15.5 26.4 -2.8 51 56 A M H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.889 113.5 49.8 -79.1 -38.6 17.1 23.6 -4.7 52 57 A Y H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.922 113.4 48.6 -59.9 -43.2 13.9 21.6 -5.2 53 58 A L H X S+ 0 0 58 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.927 109.8 51.2 -63.6 -44.6 12.3 24.8 -6.5 54 59 A S H <>S+ 0 0 44 -4,-2.1 5,-2.6 -5,-0.2 -2,-0.2 0.930 113.0 45.6 -57.1 -48.0 15.3 25.4 -8.8 55 60 A M H ><5S+ 0 0 3 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.896 108.7 55.9 -64.1 -40.4 15.0 21.9 -10.3 56 61 A L H 3<5S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.901 107.3 50.6 -56.1 -41.4 11.2 22.2 -10.6 57 62 A L T 3<5S- 0 0 125 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.265 129.2 -95.9 -86.6 9.4 11.8 25.3 -12.8 58 63 A G T < 5S+ 0 0 58 -3,-1.7 3,-0.3 1,-0.3 -3,-0.2 0.552 84.0 120.9 95.6 10.4 14.3 23.5 -15.0 59 64 A Y < + 0 0 165 -5,-2.6 -1,-0.3 1,-0.2 17,-0.1 -0.560 54.6 41.0 -99.1 167.9 17.6 24.5 -13.5 60 65 A G S S+ 0 0 8 1,-0.2 16,-1.8 -2,-0.2 15,-1.2 0.722 85.9 115.8 69.3 24.7 20.4 22.3 -12.0 61 66 A L E +A 74 0A 46 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.991 35.7 169.9-125.9 129.9 20.1 19.7 -14.8 62 67 A T E -A 73 0A 57 11,-2.6 11,-3.4 -2,-0.4 2,-0.4 -0.947 32.2-118.3-134.8 158.6 22.8 18.8 -17.3 63 68 A M E -A 72 0A 90 -2,-0.3 7,-0.1 9,-0.2 -2,-0.0 -0.824 27.4-169.8 -96.2 132.5 23.3 16.1 -19.9 64 69 A V E -A 71 0A 7 7,-2.7 7,-2.3 -2,-0.4 2,-0.5 -0.989 17.7-133.5-123.6 125.5 26.4 13.9 -19.4 65 70 A P E +A 70 0A 43 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.659 45.5 133.7 -79.2 124.9 27.5 11.5 -22.1 66 71 A F E > +A 69 0A 10 3,-2.4 3,-1.4 -2,-0.5 59,-0.1 -0.941 58.4 23.4-162.5 153.4 28.3 8.0 -20.9 67 72 A G T 3 S- 0 0 55 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.785 130.3 -61.3 60.7 28.0 27.6 4.4 -22.0 68 73 A G T 3 S+ 0 0 88 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.539 118.8 82.7 80.6 8.5 27.1 5.7 -25.5 69 74 A E E < S-A 66 0A 124 -3,-1.4 -3,-2.4 -5,-0.1 2,-0.6 -0.909 82.1-103.0-140.6 165.4 24.2 8.0 -24.7 70 75 A Q E -A 65 0A 119 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.836 40.6-161.4 -91.6 121.2 23.3 11.4 -23.3 71 76 A N E -A 64 0A 13 -7,-2.3 -7,-2.7 -2,-0.6 2,-0.5 -0.894 16.7-127.8-114.5 128.8 22.1 11.1 -19.7 72 77 A P E -A 63 0A 29 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.623 30.7-174.8 -76.4 119.9 20.1 13.6 -17.7 73 78 A I E -A 62 0A 0 -11,-3.4 -11,-2.6 -2,-0.5 2,-1.0 -0.965 21.2-144.6-123.4 119.5 21.9 14.4 -14.4 74 79 A Y E +A 61 0A 7 -2,-0.5 3,-0.4 -13,-0.2 -13,-0.3 -0.717 23.4 172.0 -79.7 100.8 20.5 16.6 -11.7 75 80 A W >> + 0 0 112 -15,-1.2 3,-1.3 -2,-1.0 4,-0.8 0.690 64.8 79.0 -83.1 -18.2 23.5 18.4 -10.3 76 81 A A H 3> S+ 0 0 1 -16,-1.8 4,-1.8 1,-0.3 3,-0.3 0.784 80.1 70.3 -60.5 -27.1 21.4 20.8 -8.1 77 82 A R H 3> S+ 0 0 1 -3,-0.4 4,-2.9 -17,-0.3 -1,-0.3 0.875 96.9 51.7 -55.3 -39.7 21.0 17.9 -5.6 78 83 A Y H <> S+ 0 0 7 -3,-1.3 4,-2.3 -4,-0.2 -1,-0.2 0.801 103.6 56.0 -72.5 -28.8 24.7 18.2 -4.7 79 84 A A H X S+ 0 0 33 -4,-0.8 4,-0.6 -3,-0.3 -1,-0.2 0.882 112.8 43.6 -69.2 -36.3 24.4 22.0 -4.1 80 85 A D H >X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 3,-1.5 0.987 116.8 45.1 -65.1 -59.8 21.7 21.2 -1.5 81 86 A W H 3X S+ 0 0 19 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.780 99.1 69.1 -63.6 -31.4 23.5 18.3 0.1 82 87 A L H 3< S+ 0 0 73 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.869 118.0 23.4 -53.7 -35.8 26.9 20.1 0.3 83 88 A F H S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.847 110.9 56.9 -65.8 -31.0 27.0 18.8 7.4 87 92 A L H X S+ 0 0 32 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.920 106.9 48.9 -61.2 -41.9 24.2 20.9 9.1 88 93 A L H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.2 49.8 -61.7 -43.5 22.4 17.7 10.0 89 94 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.895 107.5 54.1 -61.0 -40.8 25.7 16.4 11.4 90 95 A L H X S+ 0 0 51 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.895 104.8 54.4 -60.6 -41.9 26.2 19.6 13.4 91 96 A D H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.943 112.5 43.8 -54.7 -48.1 22.7 19.0 15.0 92 97 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.913 112.6 52.3 -64.7 -40.8 23.9 15.6 16.1 93 98 A A H X>S+ 0 0 2 -4,-2.8 5,-2.5 1,-0.2 4,-0.6 0.883 109.4 48.7 -64.4 -39.9 27.2 16.9 17.3 94 99 A L H ><5S+ 0 0 40 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.860 106.0 57.9 -70.0 -33.9 25.7 19.6 19.4 95 100 A L H 3<5S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.881 116.6 33.4 -61.7 -38.6 23.3 17.1 21.0 96 101 A V H 3<5S- 0 0 1 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.331 107.1-117.9-102.4 4.8 26.1 14.9 22.3 97 102 A D T <<5 - 0 0 108 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.925 44.8-166.4 56.4 46.1 28.7 17.7 22.9 98 103 A A < - 0 0 16 -5,-2.5 -1,-0.1 -6,-0.1 53,-0.1 -0.271 25.7 -93.5 -63.0 151.4 31.1 16.1 20.3 99 104 A D > - 0 0 84 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.331 28.2-119.8 -64.9 146.3 34.7 17.3 20.3 100 105 A Q H > S+ 0 0 170 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 115.1 50.9 -51.0 -46.5 35.6 20.1 17.9 101 106 A G H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 107.2 53.1 -62.3 -37.1 38.1 17.8 16.1 102 107 A T H > S+ 0 0 45 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.3 48.5 -64.5 -41.2 35.5 15.1 15.6 103 108 A I H X S+ 0 0 42 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.934 110.7 49.9 -64.0 -48.5 33.1 17.7 14.1 104 109 A L H X S+ 0 0 134 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 113.1 47.2 -56.6 -43.8 35.9 19.0 11.7 105 110 A A H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 114.1 46.0 -66.1 -44.3 36.7 15.4 10.6 106 111 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 115.3 45.9 -64.0 -47.2 33.0 14.4 10.1 107 112 A V H X S+ 0 0 52 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.888 112.8 51.9 -64.3 -39.3 32.2 17.7 8.2 108 113 A G H X S+ 0 0 37 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.935 110.5 47.4 -59.4 -48.3 35.5 17.2 6.1 109 114 A A H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.869 109.4 55.0 -59.6 -38.4 34.4 13.6 5.2 110 115 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.911 106.7 49.7 -62.8 -45.1 31.0 14.9 4.3 111 116 A G H X S+ 0 0 30 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.913 111.8 48.7 -59.5 -43.3 32.5 17.5 1.9 112 117 A I H X S+ 0 0 94 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.920 110.6 52.2 -60.0 -45.1 34.5 14.6 0.3 113 118 A M H X S+ 0 0 18 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.938 116.4 37.9 -57.8 -49.7 31.4 12.5 0.1 114 119 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.929 117.3 49.7 -71.7 -44.5 29.4 15.2 -1.7 115 120 A G H X S+ 0 0 32 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.939 114.9 43.0 -60.6 -48.5 32.3 16.5 -3.9 116 121 A T H X S+ 0 0 18 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.866 111.2 55.9 -68.0 -35.2 33.3 13.0 -5.1 117 122 A G H X S+ 0 0 5 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.927 110.6 45.9 -58.3 -43.1 29.6 12.0 -5.6 118 123 A L H X S+ 0 0 50 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.926 111.1 50.8 -67.9 -44.9 29.3 15.1 -7.9 119 124 A V H >X S+ 0 0 61 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.952 112.3 48.1 -56.3 -48.6 32.5 14.3 -9.8 120 125 A G H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.912 107.9 55.1 -55.0 -43.9 31.2 10.7 -10.3 121 126 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 114.2 40.8 -63.4 -23.5 27.8 12.1 -11.5 122 127 A L H << S+ 0 0 72 -4,-1.3 -1,-0.3 -3,-0.9 2,-0.2 0.377 86.2 120.4-105.2 0.1 29.6 14.2 -14.1 123 128 A T << - 0 0 23 -3,-1.2 6,-0.1 -4,-0.6 -59,-0.0 -0.495 48.0-158.3 -80.5 134.5 32.2 11.7 -15.3 124 129 A K S S+ 0 0 149 -2,-0.2 2,-0.7 -58,-0.1 -57,-0.3 0.702 73.5 78.7 -86.6 -22.4 32.1 10.7 -18.9 125 130 A V S >> S- 0 0 74 1,-0.2 4,-1.3 -59,-0.1 3,-0.5 -0.821 75.8-146.0 -89.3 116.7 34.0 7.3 -18.7 126 131 A Y H >> S+ 0 0 77 -2,-0.7 4,-0.9 1,-0.3 3,-0.6 0.870 94.2 49.5 -54.6 -49.1 31.4 4.8 -17.4 127 132 A S H >> S+ 0 0 88 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.866 108.6 54.5 -59.7 -37.5 33.7 2.7 -15.3 128 133 A Y H <> S+ 0 0 140 -3,-0.5 4,-2.0 1,-0.2 3,-0.3 0.765 93.1 69.4 -71.0 -27.5 35.2 5.8 -13.6 129 134 A R H S+ 0 0 146 -4,-2.6 4,-3.0 -5,-0.2 5,-0.6 0.945 111.1 46.6 -61.2 -48.0 30.9 4.7 11.8 146 151 A V H <>S+ 0 0 17 -4,-2.5 5,-2.8 1,-0.2 6,-0.3 0.894 114.8 47.5 -62.4 -41.7 31.7 7.9 13.7 147 152 A L H <>S+ 0 0 0 -4,-2.7 5,-0.8 3,-0.2 -1,-0.2 0.938 116.4 43.5 -64.1 -45.0 28.0 8.6 14.4 148 153 A F H <5S+ 0 0 98 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.894 132.2 17.1 -72.2 -42.0 27.4 5.1 15.5 149 154 A F T X5S+ 0 0 111 -4,-3.0 4,-2.3 -5,-0.2 -3,-0.2 0.913 131.6 36.1 -95.1 -60.9 30.4 4.5 17.7 150 155 A G H >< S+ 0 0 76 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.877 107.5 58.2 -63.1 -40.0 29.6 10.9 23.8 155 160 A A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.837 92.6 68.5 -59.7 -32.2 25.9 10.6 24.1 156 161 A E T 3< S+ 0 0 100 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.635 94.5 57.0 -68.0 -12.1 26.2 8.2 27.0 157 162 A S T < S+ 0 0 110 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.520 96.5 82.7 -91.3 -8.1 27.6 11.0 29.1 158 163 A M S < S- 0 0 50 -3,-2.0 -62,-0.1 -4,-0.3 -63,-0.0 -0.399 99.9 -74.3 -88.2 168.4 24.5 13.1 28.6 159 164 A R >> - 0 0 129 1,-0.1 4,-2.5 -2,-0.1 3,-1.0 -0.338 50.2-112.2 -54.2 142.5 21.2 13.0 30.4 160 165 A P H 3> S+ 0 0 110 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.831 117.7 57.3 -50.6 -34.6 19.2 9.9 29.3 161 166 A E H 3> S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 62,-0.2 0.859 110.0 44.1 -67.2 -33.0 16.6 12.0 27.6 162 167 A V H <> S+ 0 0 7 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.921 114.5 49.1 -73.4 -46.5 19.3 13.7 25.5 163 168 A A H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 111.2 51.4 -58.3 -40.1 21.0 10.3 24.8 164 169 A S H X S+ 0 0 72 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.906 110.7 46.0 -64.7 -46.5 17.6 8.8 23.8 165 170 A T H X S+ 0 0 10 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.930 112.4 52.4 -63.2 -44.1 16.7 11.6 21.4 166 171 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.917 107.4 52.0 -56.3 -45.1 20.2 11.3 19.9 167 172 A K H X S+ 0 0 77 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.903 109.3 48.9 -64.3 -37.8 19.8 7.6 19.4 168 173 A V H X S+ 0 0 66 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.957 115.8 43.2 -62.2 -48.6 16.5 8.0 17.5 169 174 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.879 112.9 52.9 -67.7 -37.1 18.0 10.7 15.2 170 175 A R H X S+ 0 0 29 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.2 0.932 110.7 48.1 -59.7 -46.5 21.2 8.6 14.8 171 176 A N H X S+ 0 0 76 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.909 111.1 49.0 -64.6 -42.4 19.1 5.7 13.7 172 177 A V H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.924 113.0 49.8 -60.5 -44.9 17.0 7.7 11.3 173 178 A T H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.945 111.0 47.2 -61.6 -47.7 20.2 9.1 9.9 174 179 A V H X S+ 0 0 42 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.941 115.5 45.4 -62.3 -44.2 21.9 5.7 9.4 175 180 A V H X S+ 0 0 99 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.942 120.1 38.3 -66.8 -46.3 18.9 4.1 7.8 176 181 A L H >X S+ 0 0 26 -4,-2.6 3,-1.1 -5,-0.2 4,-0.7 0.946 117.0 47.7 -73.2 -45.9 18.2 7.0 5.4 177 182 A W H >< S+ 0 0 13 -4,-2.7 3,-1.2 -5,-0.3 -1,-0.2 0.901 104.5 60.8 -63.2 -38.2 21.7 8.0 4.5 178 183 A S H 3< S+ 0 0 53 -4,-1.9 4,-0.5 -5,-0.4 -1,-0.3 0.704 99.9 58.3 -65.2 -18.4 22.8 4.4 3.8 179 184 A A H S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.862 111.7 51.0 -60.7 -31.1 24.5 5.3 -2.5 182 187 A V H > S+ 0 0 80 -4,-0.5 4,-2.3 -3,-0.3 5,-0.2 0.928 109.1 49.4 -70.8 -43.0 22.2 2.4 -3.6 183 188 A V H X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 7,-0.2 0.945 114.2 46.5 -60.2 -43.6 19.7 4.7 -5.3 184 189 A W H < S+ 0 0 13 -4,-2.5 6,-0.7 1,-0.2 3,-0.3 0.941 111.3 52.1 -63.1 -45.6 22.6 6.4 -7.1 185 190 A L H < S+ 0 0 60 -4,-2.4 6,-3.1 1,-0.2 -1,-0.2 0.869 120.4 31.8 -58.6 -41.9 24.2 3.0 -8.1 186 191 A I H < S+ 0 0 57 -4,-2.3 8,-2.6 4,-0.2 7,-1.6 0.568 115.3 66.7 -94.9 -11.4 20.9 1.6 -9.6 187 192 A G S ><>S- 0 0 0 -4,-1.5 5,-2.5 -3,-0.3 3,-1.2 0.068 106.5 -54.3 -99.4-154.3 19.5 4.9 -10.9 188 193 A S T 3 5S+ 0 0 15 1,-0.3 -4,-0.1 4,-0.2 8,-0.1 0.715 129.9 49.0 -58.3 -30.9 20.1 7.6 -13.5 189 194 A E T 3 5S+ 0 0 0 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.678 124.3 18.6 -84.6 -22.7 23.7 8.3 -12.4 190 195 A G T < 5S- 0 0 0 -3,-1.2 -4,-0.2 -6,-0.7 -5,-0.2 0.451 131.2 -5.3-115.3-110.1 24.8 4.7 -12.2 191 196 A A T 5S- 0 0 46 -6,-3.1 -5,-0.2 -7,-0.2 -3,-0.1 0.628 77.2-134.6 -74.2 -16.9 23.5 1.5 -13.8 192 197 A G < + 0 0 50 -5,-2.5 -5,-0.2 -7,-0.1 -4,-0.2 0.759 67.4 123.9 70.0 27.1 20.4 3.3 -15.3 193 198 A I + 0 0 126 -7,-1.6 -6,-0.2 -6,-0.2 -7,-0.1 0.913 62.7 56.9 -82.5 -49.8 18.0 0.5 -14.2 194 199 A V S S- 0 0 27 -8,-2.6 -6,-0.1 -11,-0.2 -2,-0.1 -0.750 95.1-121.3 -85.5 124.2 15.6 2.7 -12.1 195 200 A P > - 0 0 70 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.254 21.3-108.8 -66.8 157.3 14.2 5.4 -14.3 196 201 A L H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.809 115.6 57.0 -58.3 -34.9 14.7 9.1 -13.4 197 202 A N H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.943 112.6 40.3 -64.1 -43.7 11.0 9.6 -12.4 198 203 A I H > S+ 0 0 65 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.892 113.7 54.4 -71.4 -40.3 11.1 6.8 -9.9 199 204 A E H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.916 107.0 51.3 -57.1 -43.1 14.6 7.8 -8.7 200 205 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.895 109.0 51.1 -63.9 -39.7 13.3 11.4 -8.1 201 206 A L H X S+ 0 0 45 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.931 111.2 48.6 -57.4 -48.4 10.5 9.9 -6.0 202 207 A L H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.945 112.3 46.3 -62.1 -48.6 13.0 7.9 -4.0 203 208 A F H X S+ 0 0 1 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.852 110.9 54.7 -62.0 -34.3 15.3 10.8 -3.3 204 209 A M H X S+ 0 0 8 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.946 110.2 45.0 -64.1 -46.0 12.2 13.0 -2.4 205 210 A V H X S+ 0 0 73 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.940 117.5 44.8 -61.4 -47.3 11.1 10.5 0.2 206 211 A L H X S+ 0 0 19 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.947 115.6 47.0 -61.9 -48.7 14.6 10.1 1.6 207 212 A D H X S+ 0 0 1 -4,-3.2 4,-1.1 2,-0.2 5,-0.4 0.913 114.2 45.7 -60.7 -49.8 15.3 13.9 1.5 208 213 A V H X>S+ 0 0 22 -4,-2.8 5,-2.1 -5,-0.2 4,-1.7 0.930 116.0 46.6 -63.1 -43.8 12.0 14.9 3.2 209 214 A S H <>S+ 0 0 46 -4,-2.4 5,-1.8 -5,-0.3 -2,-0.2 0.909 113.2 49.3 -60.5 -43.0 12.4 12.1 5.9 210 215 A A H <5S+ 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.622 127.3 22.7 -74.2 -17.6 16.0 13.1 6.5 211 216 A K H X5S+ 0 0 4 -4,-1.1 4,-2.1 -3,-0.5 -3,-0.2 0.748 134.3 27.6-114.6 -59.4 15.3 16.8 6.9 212 217 A V H X5S+ 0 0 17 -4,-1.7 4,-2.6 -5,-0.4 -3,-0.2 0.916 126.8 45.1 -77.4 -44.2 11.6 17.4 7.9 213 218 A G H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 6,-0.3 0.942 114.7 47.7 -62.0 -50.2 14.5 16.9 17.1 219 224 A L H 3< S+ 0 0 10 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.658 108.2 54.1 -78.2 -14.2 12.5 20.1 17.6 220 225 A R T 3< S+ 0 0 190 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.483 93.9 97.5 -90.3 -4.9 9.6 18.4 19.5 221 226 A S S X S- 0 0 6 -3,-1.3 3,-0.7 -4,-0.4 4,-0.1 -0.502 73.2-138.7 -87.0 152.4 12.2 17.0 22.1 222 227 A R G > S+ 0 0 152 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.643 92.4 86.7 -76.2 -14.4 13.1 18.4 25.5 223 228 A A G 3 S+ 0 0 8 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.710 78.2 61.5 -58.9 -25.2 16.7 17.5 24.6 224 229 A I G < 0 0 1 -3,-0.7 -1,-0.3 -6,-0.3 -187,-0.2 0.601 360.0 360.0 -81.0 -10.2 17.3 20.8 22.8 225 230 A F < 0 0 115 -3,-1.8 -3,-0.0 -192,-0.1 0, 0.0 -0.610 360.0 360.0 -87.8 360.0 16.7 22.9 25.9