==== 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 ION TRANSPORT 28-JUL-99 1C3W . COMPND 2 MOLECULE: BACTERIORHODOPSIN (GROUND STATE WILD TYPE "BR"); . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.LUECKE . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 85.6 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 3.2 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 . 4 1.8 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 . 147 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 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 5 A T 0 0 102 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-160.8 23.4 25.5 -14.8 2 6 A G + 0 0 78 4,-0.1 3,-0.1 3,-0.0 0, 0.0 0.394 360.0 89.2 -77.0 -5.9 23.3 28.1 -17.6 3 7 A R S > S- 0 0 50 1,-0.2 3,-2.9 2,-0.0 4,-0.3 -0.870 71.7-151.7-100.8 117.6 22.8 30.7 -14.9 4 8 A P T > S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.806 96.1 60.3 -60.0 -26.2 26.1 31.9 -13.7 5 9 A E T >> S+ 0 0 8 1,-0.2 4,-1.8 2,-0.1 3,-0.8 0.606 76.9 95.5 -78.0 -4.6 24.6 32.7 -10.4 6 10 A W H <> S+ 0 0 103 -3,-2.9 4,-3.1 1,-0.2 5,-0.3 0.857 76.7 60.1 -49.6 -41.6 23.6 29.0 -9.9 7 11 A I H <> S+ 0 0 67 -3,-0.7 4,-2.8 -4,-0.3 -1,-0.2 0.933 106.6 44.6 -60.5 -36.0 26.8 28.3 -7.9 8 12 A W H <> S+ 0 0 68 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.871 113.3 50.8 -77.2 -30.6 25.9 30.8 -5.2 9 13 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.884 113.0 47.1 -68.5 -35.8 22.3 29.5 -5.2 10 14 A A H X S+ 0 0 26 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.927 114.8 45.5 -67.2 -46.8 23.7 25.9 -4.8 11 15 A L H X S+ 0 0 67 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.930 114.1 49.4 -62.5 -39.3 26.1 27.0 -2.1 12 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.947 111.4 48.8 -66.4 -41.3 23.4 28.9 -0.4 13 17 A T H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.962 114.5 46.1 -59.7 -48.0 21.0 26.0 -0.6 14 18 A A H X S+ 0 0 42 -4,-3.2 4,-3.0 1,-0.2 5,-0.4 0.940 114.3 46.7 -59.1 -45.6 23.7 23.7 0.8 15 19 A L H X S+ 0 0 59 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.937 113.6 46.8 -71.1 -32.1 24.7 26.1 3.5 16 20 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 34,-0.2 0.886 113.4 51.2 -72.2 -32.1 21.1 26.8 4.6 17 21 A G H X S+ 0 0 11 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.947 112.7 44.2 -65.0 -53.1 20.4 23.0 4.5 18 22 A L H X S+ 0 0 107 -4,-3.0 4,-3.4 -5,-0.2 5,-0.2 0.907 112.4 51.8 -63.3 -39.0 23.4 22.2 6.7 19 23 A G H X S+ 0 0 6 -4,-2.2 4,-3.3 -5,-0.4 5,-0.3 0.955 110.5 50.1 -67.0 -36.4 22.7 25.0 9.1 20 24 A T H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.964 113.9 43.9 -60.7 -50.9 19.1 23.7 9.4 21 25 A L H X S+ 0 0 109 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.944 114.1 51.4 -62.9 -39.9 20.3 20.2 10.1 22 26 A Y H X S+ 0 0 103 -4,-3.4 4,-2.8 -5,-0.2 5,-0.2 0.969 114.5 41.6 -59.5 -45.8 22.9 21.5 12.4 23 27 A F H X S+ 0 0 1 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.888 113.3 55.3 -70.8 -31.1 20.5 23.6 14.4 24 28 A L H < S+ 0 0 94 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.923 112.8 40.5 -62.3 -48.5 17.9 20.8 14.3 25 29 A V H >< S+ 0 0 89 -4,-2.9 3,-1.9 -5,-0.2 -2,-0.2 0.943 113.5 55.6 -66.1 -42.6 20.3 18.3 15.8 26 30 A K H 3< S+ 0 0 56 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.889 102.7 54.6 -56.5 -39.1 21.6 20.9 18.2 27 31 A G T >< S+ 0 0 20 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.3 0.553 81.5 117.3 -82.4 5.8 18.2 21.6 19.6 28 32 A M T < S+ 0 0 145 -3,-1.9 3,-0.1 1,-0.3 -3,-0.0 -0.526 79.3 20.6 -66.3 135.1 17.8 17.9 20.3 29 33 A G T 3 S+ 0 0 83 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.795 86.5 138.3 75.2 29.9 17.4 17.4 24.0 30 34 A V < + 0 0 28 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.0 -0.893 14.2 160.7-103.6 131.6 16.3 20.9 24.7 31 35 A S + 0 0 97 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.0 0.642 37.7 109.6-122.1 -17.3 13.5 21.0 27.2 32 36 A D > - 0 0 42 1,-0.2 4,-2.9 2,-0.1 5,-0.1 -0.507 64.5-144.5 -62.5 113.2 13.7 24.6 28.4 33 37 A P H > S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.838 98.5 49.8 -44.6 -46.6 10.6 26.1 27.0 34 38 A D H >> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.969 113.4 45.7 -63.7 -45.2 12.3 29.5 26.4 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.894 107.8 58.0 -63.2 -39.8 15.2 27.8 24.7 36 40 A K H 3X S+ 0 0 117 -4,-2.9 4,-2.7 1,-0.2 -1,-0.3 0.813 103.8 53.8 -53.0 -41.0 12.8 25.7 22.7 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.787 115.4 61.6 -74.5 -15.2 17.4 28.6 7.5 47 51 A A H X S+ 0 0 27 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.934 108.7 40.8 -70.2 -43.8 14.9 25.8 6.8 48 52 A I H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.920 116.5 50.7 -62.6 -43.8 12.6 28.3 5.0 49 53 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.4 5,-0.3 0.928 104.9 56.2 -64.6 -36.6 15.6 29.8 3.4 50 54 A F H X S+ 0 0 77 -4,-2.8 4,-3.0 -34,-0.2 5,-0.3 0.933 108.8 48.2 -56.2 -44.0 16.8 26.4 2.3 51 55 A T H X S+ 0 0 62 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.921 114.9 43.8 -65.2 -34.2 13.5 25.8 0.5 52 56 A M H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.945 112.9 51.6 -81.7 -36.1 13.6 29.2 -1.2 53 57 A Y H X S+ 0 0 0 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.926 112.5 47.5 -57.8 -46.2 17.3 28.9 -2.1 54 58 A L H X S+ 0 0 59 -4,-3.0 4,-3.1 -5,-0.3 6,-0.3 0.947 108.6 54.4 -63.0 -38.8 16.4 25.6 -3.6 55 59 A S H X>S+ 0 0 14 -4,-2.4 6,-2.3 -5,-0.3 4,-0.9 0.928 111.8 43.9 -63.8 -30.6 13.5 27.1 -5.4 56 60 A M H ><5S+ 0 0 0 -4,-2.2 3,-0.7 4,-0.2 -1,-0.2 0.959 111.6 53.6 -76.0 -40.2 15.8 29.7 -6.9 57 61 A L H 3<5S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.6 44.2 -53.8 -43.6 18.4 27.1 -7.7 58 62 A L H 3<5S- 0 0 124 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.598 117.0-114.2 -83.7 -8.8 15.8 25.0 -9.5 59 63 A G T X<5S+ 0 0 25 -4,-0.9 3,-1.3 -3,-0.7 -3,-0.2 0.203 88.7 109.3 102.9 -12.2 14.4 28.0 -11.3 60 64 A Y T 3 +A 70 0A 11 3,-2.5 3,-2.7 -2,-0.4 59,-0.1 -0.932 60.5 24.9-164.0 163.0 11.4 47.2 -17.0 68 72 A G T 3 S- 0 0 54 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.815 131.0 -67.0 47.0 36.8 13.9 49.6 -18.6 69 73 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.768 115.9 104.9 54.0 29.7 12.8 47.9 -21.8 70 74 A E E < S-A 67 0A 131 -3,-2.7 -3,-2.5 -5,-0.1 2,-0.8 -0.874 78.1-117.4-131.4 165.3 14.4 44.7 -20.7 71 75 A Q E -A 66 0A 130 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.928 40.0-162.8-102.3 100.0 13.3 41.3 -19.4 72 76 A N E -A 65 0A 23 -7,-2.3 -7,-3.2 -2,-0.8 2,-0.4 -0.759 17.4-129.3 -93.1 120.9 15.0 41.4 -16.0 73 77 A P E -A 64 0A 37 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.607 31.0-172.2 -71.0 122.0 15.4 38.1 -14.1 74 78 A I E -A 63 0A 0 -11,-3.6 -11,-2.9 -2,-0.4 2,-1.4 -0.987 21.5-144.5-123.8 117.6 13.9 38.7 -10.7 75 79 A Y E > +A 62 0A 0 -2,-0.5 3,-0.8 -13,-0.3 4,-0.3 -0.672 25.7 173.0 -78.4 91.9 14.3 36.2 -8.0 76 80 A W T >> + 0 0 75 -2,-1.4 3,-1.5 -15,-0.5 4,-1.3 0.719 65.0 77.0 -74.3 -23.9 10.9 36.7 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.804 79.6 70.1 -63.3 -19.7 11.4 33.8 -4.0 78 82 A R H <> S+ 0 0 3 -3,-0.8 4,-2.9 -17,-0.3 -1,-0.3 0.895 98.7 50.8 -60.1 -33.1 13.8 35.8 -1.9 79 83 A Y H <> S+ 0 0 6 -3,-1.5 4,-2.9 -4,-0.3 5,-0.2 0.888 106.5 52.7 -74.8 -33.7 10.7 37.9 -0.7 80 84 A A H X S+ 0 0 28 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.909 113.6 45.2 -63.1 -35.8 8.8 34.8 0.2 81 85 A D H >X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 3,-1.0 0.989 117.1 43.0 -61.7 -59.9 11.7 33.7 2.3 82 86 A W H 3X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.809 101.0 69.3 -62.0 -33.1 12.2 37.1 3.8 83 87 A L H 3< S+ 0 0 74 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.899 119.2 21.3 -50.3 -38.0 8.5 37.6 4.4 84 88 A F H S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.912 112.5 54.0 -68.1 -30.4 10.1 38.7 11.2 88 92 A L H X S+ 0 0 34 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.932 109.0 48.2 -60.0 -44.9 11.2 35.4 12.8 89 93 A L H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.934 112.5 48.8 -61.5 -42.1 14.7 36.9 13.1 90 94 A L H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.889 107.3 55.6 -66.0 -31.5 13.2 40.0 14.7 91 95 A L H X S+ 0 0 47 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.930 103.2 55.1 -63.3 -40.9 11.1 37.8 17.0 92 96 A D H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.943 113.2 42.8 -58.1 -42.1 14.4 36.1 18.2 93 97 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.958 114.6 49.5 -67.9 -47.2 15.6 39.6 19.1 94 98 A A H <>S+ 0 0 1 -4,-3.1 5,-3.2 1,-0.2 4,-0.3 0.858 112.1 48.0 -59.2 -38.4 12.3 40.6 20.5 95 99 A L H ><5S+ 0 0 44 -4,-3.6 3,-0.8 3,-0.2 -1,-0.2 0.893 105.8 58.9 -72.5 -37.4 12.1 37.5 22.7 96 100 A L H 3<5S+ 0 0 11 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.929 114.9 35.5 -52.0 -53.0 15.6 38.0 23.9 97 101 A V T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.405 109.9-120.6 -86.8 4.7 14.7 41.4 25.3 98 102 A D T < 5 - 0 0 135 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.951 41.6-160.7 60.5 43.8 11.2 40.4 26.4 99 103 A A < - 0 0 14 -5,-3.2 -1,-0.1 -6,-0.1 53,-0.1 -0.212 20.2-101.1 -61.1 150.8 9.7 43.1 24.2 100 104 A D > - 0 0 122 1,-0.1 4,-2.3 4,-0.0 3,-0.4 -0.332 31.7-114.7 -61.0 150.8 6.2 44.3 24.7 101 105 A Q H > S+ 0 0 171 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 115.9 56.0 -55.6 -40.5 3.6 42.9 22.4 102 106 A G H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 107.8 48.7 -62.9 -35.2 3.0 46.3 20.9 103 107 A T H > S+ 0 0 31 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.887 111.3 49.3 -73.0 -35.4 6.6 46.6 20.0 104 108 A I H X S+ 0 0 35 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.939 111.6 49.1 -67.6 -40.7 6.7 43.1 18.5 105 109 A L H X S+ 0 0 122 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.948 110.7 50.8 -63.7 -41.9 3.6 43.9 16.4 106 110 A A H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.946 114.5 44.0 -59.8 -43.7 5.2 47.2 15.3 107 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.962 115.8 45.1 -63.7 -54.6 8.4 45.3 14.2 108 112 A V H X S+ 0 0 53 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.934 117.1 47.3 -56.8 -43.0 6.6 42.4 12.5 109 113 A G H X S+ 0 0 33 -4,-2.8 4,-2.3 -5,-0.4 -1,-0.2 0.944 112.5 46.3 -69.2 -40.2 4.3 44.8 10.8 110 114 A A H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.871 112.3 54.1 -66.3 -30.0 7.0 47.2 9.7 111 115 A D H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.4 0.941 107.1 48.9 -68.2 -42.5 8.9 44.2 8.5 112 116 A G H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.913 112.2 49.5 -62.7 -34.7 6.0 42.9 6.5 113 117 A I H X S+ 0 0 96 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.964 110.1 51.6 -66.4 -42.3 5.8 46.4 5.0 114 118 A M H X S+ 0 0 18 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.932 117.3 37.3 -55.5 -53.6 9.5 46.3 4.3 115 119 A I H X S+ 0 0 11 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.923 116.7 49.9 -71.1 -43.2 9.4 43.0 2.5 116 120 A G H X S+ 0 0 28 -4,-2.7 4,-2.6 -5,-0.4 -2,-0.2 0.961 113.7 45.2 -69.4 -31.9 6.1 43.5 0.7 117 121 A T H X S+ 0 0 17 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.886 111.8 53.6 -71.3 -29.5 7.0 46.9 -0.6 118 122 A G H X S+ 0 0 8 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.920 110.9 47.5 -64.1 -40.1 10.4 45.4 -1.6 119 123 A L H X S+ 0 0 57 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.935 111.9 48.2 -66.9 -43.7 8.5 42.7 -3.5 120 124 A V H X S+ 0 0 61 -4,-2.6 4,-0.9 -5,-0.2 3,-0.2 0.951 113.4 48.2 -60.7 -43.9 6.2 45.3 -5.1 121 125 A G H >< S+ 0 0 0 -4,-3.2 3,-0.7 1,-0.2 -1,-0.2 0.920 109.4 54.3 -60.3 -35.9 9.3 47.3 -6.0 122 126 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.8 35.8 -65.6 -33.3 10.9 44.1 -7.3 123 127 A L H 3< S+ 0 0 69 -4,-1.9 2,-0.3 -3,-0.2 -1,-0.2 0.378 87.0 119.0-101.8 2.8 8.0 43.3 -9.6 124 128 A T << - 0 0 22 -4,-0.9 6,-0.1 -3,-0.7 -59,-0.0 -0.501 49.7-156.4 -76.5 134.0 7.0 46.9 -10.6 125 129 A K S S+ 0 0 144 -2,-0.3 2,-0.8 -58,-0.1 -57,-0.3 0.686 73.0 82.9 -91.3 -11.5 7.3 47.5 -14.4 126 130 A V S > S- 0 0 74 1,-0.2 4,-1.2 -59,-0.1 3,-0.4 -0.813 73.9-149.3 -92.5 111.1 7.8 51.3 -14.3 127 131 A Y H >> S+ 0 0 87 -2,-0.8 3,-0.9 1,-0.2 4,-0.7 0.898 89.7 50.1 -50.7 -50.6 11.5 51.7 -13.6 128 132 A S H >> S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.913 107.1 55.6 -58.8 -37.8 11.4 55.0 -11.7 129 133 A Y H 3> S+ 0 0 137 -3,-0.4 4,-2.0 1,-0.2 3,-0.4 0.795 90.1 74.1 -70.9 -19.3 8.7 53.7 -9.4 130 134 A R H X S+ 0 0 135 -4,-2.8 4,-3.5 -5,-0.2 3,-0.5 0.941 110.4 46.6 -56.9 -49.7 15.3 52.6 15.1 147 151 A V H 3X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 106.7 57.1 -64.1 -37.4 13.2 50.4 17.2 148 152 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.747 120.5 31.0 -64.6 -26.7 16.0 47.9 17.7 149 153 A F H << S+ 0 0 81 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.784 136.1 20.7-100.3 -34.2 18.1 50.7 19.2 150 154 A F H < S+ 0 0 146 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.300 109.1 69.8-119.4 5.1 15.7 53.0 20.8 151 155 A G < 0 0 35 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.319 360.0 360.0-109.8 0.6 12.5 51.0 21.4 152 156 A F 0 0 92 -5,-0.2 -1,-0.2 -53,-0.1 -4,-0.0 -0.371 360.0 360.0-114.7 360.0 13.8 48.7 24.2 153 ! 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 0 177 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.9 17.2 45.0 33.9 155 163 A M - 0 0 79 1,-0.1 -58,-0.1 2,-0.1 -59,-0.0 -0.399 360.0 -88.3 -67.3 160.9 17.5 42.3 31.2 156 164 A R > - 0 0 81 1,-0.1 4,-2.9 64,-0.1 3,-0.3 -0.465 35.4-114.7 -68.9 149.7 20.1 39.8 32.4 157 165 A P H > S+ 0 0 110 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.791 116.9 54.2 -44.6 -40.1 23.6 40.7 31.4 158 166 A E H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.896 109.8 45.9 -64.2 -45.6 23.8 37.6 29.1 159 167 A V H > S+ 0 0 6 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.963 113.9 48.9 -64.6 -46.7 20.7 38.6 27.3 160 168 A A H X S+ 0 0 20 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.939 113.7 46.9 -57.8 -46.1 21.9 42.2 27.0 161 169 A S H X S+ 0 0 73 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.916 117.0 40.8 -65.0 -44.6 25.3 41.0 25.7 162 170 A T H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.915 116.1 52.0 -71.9 -37.7 23.9 38.5 23.2 163 171 A F H X S+ 0 0 2 -4,-3.2 4,-3.4 -5,-0.3 5,-0.3 0.935 107.8 51.5 -62.0 -46.9 21.2 41.0 22.2 164 172 A K H X S+ 0 0 114 -4,-3.4 4,-2.0 -5,-0.3 -1,-0.2 0.905 113.5 44.8 -57.3 -39.2 23.7 43.8 21.6 165 173 A V H X S+ 0 0 64 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.933 115.4 45.4 -69.7 -44.5 25.8 41.5 19.4 166 174 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.937 112.6 52.3 -68.8 -40.0 22.8 40.1 17.5 167 175 A R H X S+ 0 0 35 -4,-3.4 4,-3.0 -5,-0.3 5,-0.3 0.895 111.3 46.6 -59.4 -41.1 21.4 43.6 17.1 168 176 A N H X S+ 0 0 81 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.922 112.4 49.8 -68.1 -40.3 24.7 44.9 15.7 169 177 A V H X S+ 0 0 33 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.900 113.0 49.7 -57.7 -43.4 24.9 41.9 13.4 170 178 A T H X S+ 0 0 1 -4,-3.3 4,-3.2 2,-0.2 5,-0.5 0.949 110.9 45.2 -64.8 -52.2 21.4 42.7 12.4 171 179 A V H X S+ 0 0 26 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.941 116.1 46.7 -61.2 -40.4 21.9 46.4 11.7 172 180 A V H X S+ 0 0 105 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.975 120.2 36.1 -67.3 -45.7 25.0 45.9 9.8 173 181 A L H >X S+ 0 0 27 -4,-2.6 3,-1.1 -5,-0.3 4,-0.8 0.959 117.0 49.8 -76.2 -42.1 23.9 43.0 7.6 174 182 A W H >< S+ 0 0 10 -4,-3.2 3,-1.1 -5,-0.3 -1,-0.2 0.863 105.2 59.8 -64.1 -31.9 20.3 44.1 7.1 175 183 A S H 3X S+ 0 0 39 -4,-1.8 4,-0.8 -5,-0.5 -1,-0.3 0.736 98.4 59.2 -66.6 -21.2 21.4 47.6 6.1 176 184 A A H S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.901 113.4 50.5 -57.8 -33.9 18.9 47.8 0.4 179 187 A V H X S+ 0 0 77 -4,-0.8 4,-2.4 2,-0.2 5,-0.3 0.951 110.2 48.2 -68.5 -40.5 22.2 48.8 -1.0 180 188 A V H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 7,-0.2 0.969 114.7 46.6 -64.3 -44.2 22.7 45.4 -2.8 181 189 A W H < S+ 0 0 14 -4,-2.8 6,-0.7 -5,-0.2 8,-0.3 0.945 111.2 52.0 -62.4 -41.8 19.2 45.7 -4.2 182 190 A L H < S+ 0 0 53 -4,-2.5 6,-4.0 -5,-0.3 7,-0.3 0.912 119.2 34.3 -62.9 -35.8 19.7 49.3 -5.3 183 191 A I H < S+ 0 0 48 -4,-2.4 8,-2.7 4,-0.2 7,-1.6 0.681 112.6 72.8 -94.8 -14.1 22.9 48.6 -7.1 184 192 A G S ><>S- 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 3,-1.6 -0.005 106.1 -69.0 -91.7-162.3 21.9 45.1 -8.4 185 193 A S T 3 5S+ 0 0 17 1,-0.3 -4,-0.1 4,-0.2 8,-0.1 0.610 128.8 54.3 -69.3 -20.4 19.6 43.8 -11.0 186 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.698 122.6 22.5 -79.4 -22.7 16.4 44.9 -9.2 187 195 A G T < 5S- 0 0 1 -3,-1.6 -4,-0.2 -6,-0.7 -5,-0.2 0.377 133.3 -16.3-113.4-120.2 17.6 48.4 -8.9 188 196 A A T 5S- 0 0 42 -6,-4.0 -5,-0.2 -7,-0.1 -3,-0.2 0.648 75.0-130.8 -75.9 -13.1 20.2 50.4 -10.9 189 197 A G < + 0 0 49 -5,-2.4 -5,-0.2 -8,-0.3 -4,-0.2 0.833 65.9 131.6 76.5 21.4 21.7 47.3 -12.5 190 198 A I + 0 0 127 -7,-1.6 -6,-0.2 -6,-0.2 -7,-0.1 0.736 67.4 48.3 -79.2 -35.1 25.3 48.5 -11.6 191 199 A V S S- 0 0 29 -8,-2.7 -6,-0.1 -11,-0.2 -1,-0.1 -0.925 97.0-114.3-107.0 133.5 26.3 45.1 -10.2 192 200 A P > - 0 0 75 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.247 25.3-109.8 -69.6 159.2 25.5 42.0 -12.3 193 201 A L H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.861 116.2 56.6 -55.0 -38.2 23.0 39.4 -11.0 194 202 A N H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 111.6 42.0 -66.4 -38.2 25.7 36.8 -10.4 195 203 A I H > S+ 0 0 65 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 113.8 52.4 -74.8 -34.0 27.5 39.1 -8.1 196 204 A E H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.933 108.3 51.6 -61.6 -37.7 24.3 40.3 -6.4 197 205 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.928 109.8 49.2 -68.9 -39.1 23.4 36.7 -5.8 198 206 A L H X S+ 0 0 44 -4,-2.1 4,-3.1 -5,-0.3 5,-0.3 0.955 111.7 49.2 -58.8 -46.7 26.7 36.1 -4.2 199 207 A L H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.961 113.6 45.4 -58.9 -47.8 26.3 39.1 -2.0 200 208 A F H X S+ 0 0 0 -4,-3.2 4,-3.1 -5,-0.2 5,-0.3 0.877 111.4 53.7 -65.2 -33.1 22.8 38.1 -1.0 201 209 A M H X S+ 0 0 6 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.962 110.6 45.8 -65.6 -46.0 24.0 34.6 -0.4 202 210 A V H X S+ 0 0 75 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.960 116.7 45.2 -59.3 -41.9 26.8 35.8 1.9 203 211 A L H X S+ 0 0 21 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.961 114.2 48.5 -64.9 -45.9 24.4 38.2 3.7 204 212 A D H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 5,-0.4 0.915 112.5 46.3 -61.8 -48.6 21.7 35.6 4.0 205 213 A V H X>S+ 0 0 26 -4,-3.1 5,-3.0 -5,-0.3 4,-1.3 0.948 117.3 45.5 -61.8 -39.5 23.9 32.8 5.4 206 214 A S H <>S+ 0 0 46 -4,-2.3 5,-2.0 -5,-0.4 -2,-0.2 0.927 114.6 46.8 -66.3 -38.7 25.5 35.3 7.8 207 215 A A H <5S+ 0 0 2 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.714 128.2 25.4 -76.9 -16.3 22.1 36.8 8.9 208 216 A K H X5S+ 0 0 4 -4,-1.7 4,-1.6 -3,-0.3 -3,-0.2 0.837 135.3 23.7-108.4 -62.7 20.6 33.3 9.3 209 217 A V H X5S+ 0 0 17 -4,-1.3 4,-2.4 -5,-0.4 5,-0.2 0.890 127.8 45.3 -79.1 -45.7 23.2 30.7 10.0 210 218 A G H >< S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.3 6,-0.3 0.962 113.8 46.9 -68.9 -47.6 22.4 33.0 19.3 216 224 A L H 3< S+ 0 0 3 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.474 108.5 57.0 -78.0 -3.9 22.1 29.3 19.9 217 225 A R H 3< S+ 0 0 173 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.569 92.7 91.7 -94.5 -19.3 25.6 29.1 21.5 218 226 A S S X< S- 0 0 22 -3,-0.9 3,-0.9 -4,-0.7 -59,-0.0 -0.475 73.2-141.2 -76.2 146.1 24.6 31.7 24.1 219 227 A R G > S+ 0 0 171 1,-0.2 3,-2.0 -2,-0.2 -1,-0.1 0.595 89.9 90.9 -77.8 -8.4 23.2 30.9 27.5 220 228 A A G 3 S+ 0 0 3 1,-0.3 -1,-0.2 -62,-0.2 -64,-0.1 0.721 75.7 63.9 -61.4 -20.1 20.9 34.0 26.9 221 229 A I G < S+ 0 0 1 -3,-0.9 2,-0.4 -6,-0.3 -183,-0.3 0.540 90.0 78.7 -84.6 -3.6 18.3 31.6 25.3 222 230 A F < 0 0 36 -3,-2.0 -3,-0.0 -188,-0.1 0, 0.0 -0.769 360.0 360.0-100.2 145.2 17.7 29.7 28.5 223 231 A G 0 0 73 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 -0.356 360.0 360.0 -65.1 360.0 15.5 30.8 31.4