==== 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 TRANSPORT 26-NOV-01 1KG9 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.T.FACCIOTTI,S.ROUHANI,F.T.BURKARD,F.M.BETANCOURT,K.H.DOWNI . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 85.1 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 2.7 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 1 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 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 5 A T 0 0 104 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.6 22.7 25.4 -15.6 2 6 A G + 0 0 87 2,-0.1 3,-0.0 4,-0.1 0, 0.0 0.386 360.0 90.0 -68.7 1.2 22.8 28.2 -18.1 3 7 A R > - 0 0 51 1,-0.1 3,-2.0 190,-0.0 4,-0.3 -0.907 66.2-154.2-105.9 119.4 22.8 30.7 -15.3 4 8 A P T 3 S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.681 94.3 62.7 -67.6 -15.1 26.2 31.8 -13.9 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.9 2,-0.1 3,-0.7 0.565 75.4 97.2 -85.1 1.0 24.7 32.6 -10.5 6 10 A W H <> S+ 0 0 110 -3,-2.0 4,-2.6 1,-0.2 5,-0.3 0.901 75.2 59.8 -54.6 -40.9 23.8 28.9 -10.1 7 11 A I H 3> S+ 0 0 68 -3,-0.5 4,-2.5 -4,-0.3 -1,-0.2 0.891 106.9 45.1 -57.1 -40.8 26.9 28.3 -8.1 8 12 A W H <> S+ 0 0 67 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.854 112.4 51.1 -73.4 -34.0 25.9 30.8 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.871 113.5 46.2 -65.3 -37.9 22.4 29.5 -5.4 10 14 A A H X S+ 0 0 24 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.881 113.6 47.8 -71.7 -44.8 23.7 25.9 -4.9 11 15 A L H X S+ 0 0 65 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.871 114.2 47.3 -61.8 -37.3 26.2 27.0 -2.2 12 16 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.949 110.3 51.6 -73.6 -42.2 23.4 28.9 -0.4 13 17 A T H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.948 114.0 45.9 -51.7 -51.6 21.1 26.0 -0.7 14 18 A A H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.930 113.6 46.3 -57.0 -48.8 23.8 23.8 0.8 15 19 A L H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 112.9 49.2 -70.6 -36.7 24.8 26.1 3.6 16 20 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.898 112.4 49.7 -66.7 -35.1 21.2 26.8 4.6 17 21 A G H X S+ 0 0 12 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.935 112.3 46.3 -66.2 -44.7 20.5 23.1 4.6 18 22 A L H X S+ 0 0 107 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.917 111.8 51.7 -66.0 -40.5 23.6 22.3 6.7 19 23 A G H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.930 109.5 50.8 -62.3 -42.1 22.7 25.1 9.1 20 24 A T H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.960 112.4 45.2 -61.3 -48.9 19.2 23.8 9.5 21 25 A L H X S+ 0 0 111 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.912 112.3 53.1 -65.2 -36.2 20.4 20.2 10.3 22 26 A Y H X S+ 0 0 96 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.987 112.2 42.4 -60.2 -51.3 23.0 21.6 12.7 23 27 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.788 113.1 55.4 -68.1 -24.5 20.5 23.6 14.7 24 28 A L H X S+ 0 0 94 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.891 112.7 40.5 -71.5 -47.0 18.1 20.7 14.6 25 29 A V H >< S+ 0 0 92 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.970 115.1 54.6 -60.9 -49.8 20.6 18.3 16.0 26 30 A K H 3< S+ 0 0 51 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.832 104.9 51.2 -51.4 -46.0 21.7 21.0 18.5 27 31 A G H >< S+ 0 0 20 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.3 0.565 81.6 113.8 -76.8 -8.3 18.3 21.7 19.9 28 32 A M T << S+ 0 0 144 -3,-1.7 3,-0.1 -4,-0.5 -3,-0.0 -0.488 80.0 25.4 -63.9 136.0 17.8 18.0 20.5 29 33 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 -0.170 83.7 133.9 105.5 -37.0 17.6 17.7 24.3 30 34 A V < + 0 0 28 -3,-1.4 -1,-0.3 1,-0.2 -3,-0.0 -0.209 16.4 162.5 -57.9 122.5 16.4 21.2 25.2 31 35 A S + 0 0 96 -3,-0.1 -1,-0.2 -2,-0.0 3,-0.0 0.590 40.8 106.8-112.7 -19.3 13.6 21.0 27.7 32 36 A D > - 0 0 39 1,-0.2 4,-2.8 2,-0.1 3,-0.3 -0.500 66.3-144.2 -65.8 118.7 13.6 24.6 28.9 33 37 A P H > S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.879 97.1 52.0 -49.7 -46.5 10.6 26.2 27.3 34 38 A D H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.906 112.7 43.1 -59.9 -45.3 12.3 29.5 26.8 35 39 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 3,-0.5 0.901 108.7 59.9 -68.2 -39.5 15.3 28.0 25.0 36 40 A K H X S+ 0 0 117 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.810 101.9 55.2 -51.6 -38.2 12.9 25.8 23.1 37 41 A K H X S+ 0 0 96 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.3 0.873 108.9 45.4 -64.8 -42.1 11.4 29.0 21.8 38 42 A F H X S+ 0 0 11 -4,-1.2 4,-2.2 -3,-0.5 -2,-0.2 0.825 112.5 51.5 -74.5 -34.7 14.8 30.3 20.5 39 43 A Y H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.953 110.3 48.8 -66.7 -48.6 15.6 26.9 19.0 40 44 A A H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 3,-0.2 0.955 116.1 41.7 -52.3 -55.6 12.3 26.8 17.1 41 45 A I H X S+ 0 0 13 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.946 116.7 48.2 -60.8 -46.2 12.6 30.3 15.7 42 46 A T H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.757 113.2 45.6 -74.4 -23.8 16.3 30.0 14.8 43 47 A T H X S+ 0 0 17 -4,-2.1 4,-1.7 -3,-0.2 -1,-0.2 0.828 108.1 57.2 -81.3 -38.9 16.0 26.6 13.1 44 48 A L H X S+ 0 0 89 -4,-2.2 4,-3.1 -5,-0.3 5,-0.4 0.890 97.2 66.4 -59.2 -36.3 13.0 27.6 11.0 45 49 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.958 108.8 31.7 -57.1 -59.1 14.9 30.5 9.6 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.777 115.4 62.1 -73.1 -21.4 17.5 28.6 7.5 47 51 A A H X S+ 0 0 28 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.958 109.0 41.0 -60.7 -49.2 14.9 25.8 6.9 48 52 A I H X S+ 0 0 33 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.955 115.3 50.8 -61.8 -45.5 12.7 28.3 5.1 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.4 5,-0.2 0.924 104.2 59.8 -61.1 -39.3 15.7 29.9 3.4 50 54 A F H X S+ 0 0 77 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.918 107.0 45.6 -50.3 -48.8 16.8 26.4 2.3 51 55 A T H X S+ 0 0 65 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.902 113.9 47.8 -70.5 -30.8 13.6 25.9 0.4 52 56 A M H X S+ 0 0 41 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 111.2 50.6 -78.4 -37.1 13.7 29.4 -1.2 53 57 A Y H X S+ 0 0 0 -4,-3.3 4,-2.9 -5,-0.2 -2,-0.2 0.950 112.4 48.1 -58.5 -46.0 17.4 28.9 -2.2 54 58 A L H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.943 109.2 53.5 -60.0 -43.9 16.4 25.6 -3.8 55 59 A S H X>S+ 0 0 18 -4,-2.7 6,-2.0 -5,-0.2 5,-1.1 0.896 112.0 44.1 -61.4 -32.9 13.5 27.2 -5.5 56 60 A M H <5S+ 0 0 1 -4,-2.1 3,-0.5 4,-0.2 -1,-0.2 0.936 112.1 53.2 -74.5 -41.4 15.8 29.8 -7.0 57 61 A L H <5S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.9 44.5 -53.1 -47.4 18.4 27.2 -7.9 58 62 A L H <5S- 0 0 130 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.622 117.4-114.2 -79.5 -12.5 15.7 25.1 -9.8 59 63 A G T ><5S+ 0 0 24 -4,-0.7 3,-0.9 -3,-0.5 -3,-0.2 0.374 87.2 111.8 98.6 -1.3 14.4 28.2 -11.4 60 64 A Y T 3 +A 70 0A 11 3,-2.3 3,-1.1 -2,-0.4 59,-0.1 -0.955 59.2 28.6-168.1 157.5 11.5 47.5 -17.5 68 72 A G T 3 S- 0 0 54 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.836 132.1 -65.4 53.5 30.6 14.0 49.8 -19.1 69 73 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.840 116.0 96.0 60.7 37.1 12.9 48.2 -22.3 70 74 A E E < S-A 67 0A 129 -3,-1.1 -3,-2.3 -5,-0.1 2,-1.0 -0.976 81.1-104.7-150.1 162.4 14.3 44.8 -21.4 71 75 A Q E -A 66 0A 135 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.789 41.6-164.4 -91.2 97.9 13.4 41.4 -19.9 72 76 A N E -A 65 0A 24 -7,-2.2 -7,-4.1 -2,-1.0 2,-0.6 -0.703 15.5-132.9 -93.3 128.2 14.9 41.5 -16.4 73 77 A P E -A 64 0A 38 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.665 27.4-173.4 -83.2 117.0 15.3 38.3 -14.4 74 78 A I E -A 63 0A 0 -11,-3.1 -11,-3.0 -2,-0.6 2,-1.5 -0.954 23.6-143.4-115.9 122.5 14.0 38.8 -10.9 75 79 A Y > + 0 0 1 -2,-0.5 3,-1.1 -13,-0.2 4,-0.3 -0.675 25.6 173.5 -81.1 88.9 14.4 36.2 -8.1 76 80 A W T >> + 0 0 79 -2,-1.5 3,-1.3 -15,-0.4 4,-1.1 0.716 65.5 77.3 -67.3 -22.5 11.0 36.8 -6.4 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.805 78.5 71.3 -69.1 -18.5 11.5 33.9 -4.1 78 82 A R H <> S+ 0 0 2 -3,-1.1 4,-2.7 -17,-0.3 -1,-0.3 0.912 99.0 49.1 -58.7 -36.4 13.9 36.0 -2.0 79 83 A Y H <> S+ 0 0 5 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.835 105.3 54.7 -75.2 -30.7 10.9 37.9 -0.8 80 84 A A H X S+ 0 0 23 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.889 113.7 46.4 -63.4 -35.2 8.8 34.8 0.1 81 85 A D H >X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 3,-1.0 0.978 115.3 41.6 -61.2 -67.1 11.8 33.9 2.2 82 86 A W H 3X S+ 0 0 17 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.839 103.0 69.5 -57.1 -37.9 12.4 37.3 3.9 83 87 A L H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 117.6 22.5 -46.5 -40.5 8.6 37.7 4.4 84 88 A F H S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.914 111.4 53.1 -60.7 -36.0 10.0 38.8 11.3 88 92 A L H X S+ 0 0 32 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.940 107.4 50.3 -63.5 -39.6 11.3 35.6 12.9 89 93 A L H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.938 109.7 51.2 -64.7 -40.0 14.7 37.1 13.3 90 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.882 106.1 56.0 -63.5 -33.1 13.2 40.2 14.9 91 95 A L H X S+ 0 0 51 -4,-2.3 4,-3.7 2,-0.2 5,-0.3 0.928 101.9 55.4 -64.7 -44.2 11.3 37.9 17.2 92 96 A D H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.930 112.9 43.4 -48.2 -47.5 14.6 36.3 18.4 93 97 A L H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.950 115.1 48.7 -64.0 -49.4 15.7 39.8 19.3 94 98 A A H <>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.916 112.2 46.9 -62.5 -43.9 12.3 40.8 20.8 95 99 A L H ><5S+ 0 0 51 -4,-3.7 3,-1.2 3,-0.2 -1,-0.2 0.926 105.3 61.9 -67.7 -37.0 12.1 37.7 23.0 96 100 A L H 3<5S+ 0 0 10 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.951 113.6 34.3 -51.5 -51.1 15.7 38.1 24.2 97 101 A V T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.375 111.2-116.1 -91.3 10.3 14.9 41.5 25.7 98 102 A D T < 5 - 0 0 142 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.946 44.8-162.1 59.6 47.2 11.3 40.6 26.9 99 103 A A < - 0 0 17 -5,-2.3 -1,-0.1 -6,-0.1 53,-0.1 -0.338 20.4-103.9 -66.7 142.5 9.7 43.2 24.6 100 104 A D > - 0 0 125 1,-0.1 4,-2.1 -2,-0.0 3,-0.2 -0.203 30.0-117.2 -52.4 151.5 6.2 44.5 25.0 101 105 A Q H > S+ 0 0 171 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.840 115.2 60.5 -66.2 -35.3 3.7 43.1 22.5 102 106 A G H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 106.7 45.6 -57.0 -42.5 3.1 46.6 21.2 103 107 A T H > S+ 0 0 28 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.894 112.5 50.7 -72.4 -41.8 6.8 46.8 20.2 104 108 A I H X S+ 0 0 38 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.919 110.7 48.8 -60.0 -42.7 6.7 43.3 18.7 105 109 A L H X S+ 0 0 125 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.955 110.6 51.4 -64.3 -42.8 3.6 44.1 16.6 106 110 A A H X S+ 0 0 32 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.884 113.5 45.1 -55.1 -43.9 5.3 47.4 15.4 107 111 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.950 115.4 44.0 -67.2 -52.9 8.4 45.5 14.4 108 112 A V H X S+ 0 0 58 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.953 117.7 46.7 -59.6 -47.1 6.6 42.6 12.6 109 113 A G H X S+ 0 0 35 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.912 112.6 48.5 -59.2 -46.5 4.3 45.0 10.9 110 114 A A H X S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.881 111.9 53.1 -56.4 -41.9 7.1 47.4 9.9 111 115 A D H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.948 105.6 49.6 -65.1 -46.0 8.9 44.3 8.6 112 116 A G H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.885 111.3 51.8 -63.5 -32.0 6.0 43.1 6.4 113 117 A I H X S+ 0 0 97 -4,-1.6 4,-2.7 -5,-0.3 5,-0.3 0.980 107.8 52.6 -67.4 -46.5 5.9 46.5 5.0 114 118 A M H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.932 117.4 34.7 -50.2 -60.6 9.6 46.5 4.3 115 119 A I H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.927 116.4 53.5 -67.0 -45.2 9.6 43.2 2.3 116 120 A G H X S+ 0 0 30 -4,-2.1 4,-2.5 -5,-0.4 -2,-0.2 0.951 112.9 43.9 -59.6 -44.1 6.2 43.6 0.7 117 121 A T H X S+ 0 0 18 -4,-2.7 4,-3.1 -5,-0.4 -1,-0.2 0.915 111.1 54.7 -66.9 -37.2 7.2 47.0 -0.6 118 122 A G H X S+ 0 0 9 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.905 109.9 49.6 -55.9 -40.1 10.6 45.6 -1.7 119 123 A L H X S+ 0 0 56 -4,-2.9 4,-1.8 2,-0.2 5,-0.2 0.934 110.4 46.9 -65.4 -48.1 8.6 43.0 -3.6 120 124 A V H X S+ 0 0 64 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.957 112.2 51.7 -58.1 -48.6 6.4 45.5 -5.3 121 125 A G H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.909 109.4 51.3 -51.0 -45.1 9.5 47.5 -6.1 122 126 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.1 38.6 -65.1 -32.4 11.0 44.3 -7.6 123 127 A L H 3< S+ 0 0 70 -4,-1.8 2,-0.3 -3,-0.5 -1,-0.2 0.346 85.9 120.1-100.1 -0.4 8.0 43.5 -9.8 124 128 A T << - 0 0 22 -4,-0.9 6,-0.1 -3,-0.7 -59,-0.0 -0.493 49.8-157.5 -76.6 132.6 7.2 47.0 -10.9 125 129 A K S S+ 0 0 146 -2,-0.3 2,-0.8 1,-0.1 -57,-0.3 0.682 73.1 81.9 -87.4 -15.7 7.4 47.6 -14.6 126 130 A V S > S- 0 0 73 1,-0.2 4,-1.4 -59,-0.1 3,-0.3 -0.834 73.5-149.1 -92.5 109.3 7.9 51.4 -14.5 127 131 A Y H >> S+ 0 0 91 -2,-0.8 3,-0.9 1,-0.2 4,-0.8 0.888 91.5 49.1 -44.5 -57.0 11.6 51.9 -13.9 128 132 A S H >> S+ 0 0 82 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.917 106.8 55.1 -51.5 -48.4 11.3 55.2 -11.9 129 133 A Y H >> S+ 0 0 139 -3,-0.3 4,-1.9 1,-0.2 3,-0.7 0.821 91.5 75.1 -61.7 -26.9 8.6 53.9 -9.6 130 134 A R H - 0 0 82 1,-0.2 4,-2.4 64,-0.1 3,-0.2 -0.517 360.0-122.2 -60.9 141.1 20.2 39.8 32.8 156 165 A P H > S+ 0 0 104 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.837 113.6 59.2 -58.5 -29.3 23.6 40.9 31.6 157 166 A E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.945 106.4 46.6 -62.8 -48.0 23.7 37.8 29.4 158 167 A V H > S+ 0 0 7 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.980 115.5 45.4 -53.9 -58.3 20.6 38.9 27.7 159 168 A A H X S+ 0 0 20 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.943 113.4 49.9 -54.1 -53.1 22.0 42.4 27.2 160 169 A S H X S+ 0 0 72 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.911 117.0 39.5 -52.9 -46.5 25.4 41.2 26.0 161 170 A T H X S+ 0 0 19 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.922 115.5 52.5 -74.6 -36.1 24.0 38.8 23.5 162 171 A F H X S+ 0 0 4 -4,-3.4 4,-2.4 -5,-0.3 -2,-0.2 0.882 108.4 51.7 -63.0 -38.9 21.3 41.2 22.5 163 172 A K H X S+ 0 0 104 -4,-3.3 4,-1.2 -5,-0.3 -1,-0.2 0.874 112.8 44.9 -65.1 -39.6 23.9 43.9 21.9 164 173 A V H X S+ 0 0 68 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.936 116.5 43.4 -68.1 -51.8 26.0 41.7 19.7 165 174 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 -2,-0.2 0.904 110.8 55.8 -69.6 -31.7 23.1 40.3 17.6 166 175 A R H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.890 109.6 47.4 -63.1 -33.5 21.6 43.8 17.4 167 176 A N H X S+ 0 0 82 -4,-1.2 4,-1.8 2,-0.2 5,-0.2 0.862 110.9 50.1 -74.2 -37.8 24.9 45.0 15.9 168 177 A V H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.893 112.2 51.1 -60.9 -39.8 25.1 42.0 13.5 169 178 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.964 109.6 44.8 -67.0 -55.4 21.5 42.9 12.5 170 179 A V H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.953 115.9 49.1 -55.8 -45.7 21.9 46.6 11.8 171 180 A V H X S+ 0 0 101 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.981 119.0 33.8 -64.9 -51.1 25.1 46.0 9.8 172 181 A L H >X S+ 0 0 30 -4,-2.4 4,-1.0 -5,-0.2 3,-0.9 0.958 116.9 53.2 -71.2 -41.4 24.0 43.1 7.6 173 182 A W H >< S+ 0 0 11 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.902 105.4 57.2 -60.5 -34.7 20.3 44.3 7.2 174 183 A S H 3X S+ 0 0 42 -4,-1.8 4,-1.0 -5,-0.4 -1,-0.3 0.774 98.5 59.9 -66.9 -25.0 21.6 47.7 6.0 175 184 A A H S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.937 112.8 50.3 -60.8 -36.9 19.0 48.0 0.4 178 187 A V H X S+ 0 0 80 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.957 110.0 48.3 -63.8 -43.0 22.4 48.9 -1.0 179 188 A V H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 7,-0.2 0.953 113.9 47.3 -61.4 -49.9 22.8 45.6 -2.9 180 189 A W H < S+ 0 0 14 -4,-2.3 6,-0.7 1,-0.2 -1,-0.2 0.915 111.7 50.8 -51.1 -51.6 19.2 45.9 -4.3 181 190 A L H < S+ 0 0 58 -4,-2.5 6,-3.2 -5,-0.3 7,-0.3 0.906 117.3 37.9 -62.9 -37.6 19.8 49.5 -5.4 182 191 A I H < S+ 0 0 45 -4,-2.4 8,-1.9 -5,-0.2 7,-1.8 0.722 112.2 68.7 -89.8 -17.6 23.1 48.8 -7.2 183 192 A G S ><>S- 0 0 0 -4,-2.0 5,-2.4 -5,-0.2 3,-1.1 0.086 105.3 -64.1 -90.7-159.6 22.1 45.4 -8.7 184 193 A S T 3 5S+ 0 0 19 1,-0.3 -4,-0.1 6,-0.2 8,-0.1 0.669 129.7 50.5 -65.7 -27.3 19.6 44.0 -11.3 185 194 A E T 3 5S+ 0 0 2 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.714 123.1 28.7 -76.4 -28.7 16.5 45.1 -9.5 186 195 A G T < 5S- 0 0 2 -3,-1.1 -4,-0.2 -6,-0.7 -5,-0.2 0.511 131.5 -22.4-104.4-122.2 17.9 48.6 -9.2 187 196 A A T 5S- 0 0 47 -6,-3.2 -5,-0.2 -7,-0.1 -3,-0.2 0.622 74.8-126.7 -79.3 -13.1 20.3 50.6 -11.3 188 197 A G < + 0 0 53 -5,-2.4 -5,-0.2 -7,-0.3 -4,-0.2 0.877 66.2 135.3 71.8 30.0 21.9 47.6 -12.8 189 198 A I + 0 0 118 -7,-1.8 -6,-0.2 -6,-0.2 -7,-0.1 0.809 67.6 41.3 -71.9 -48.9 25.5 48.7 -11.8 190 199 A V S S- 0 0 33 -8,-1.9 -6,-0.2 -11,-0.2 -1,-0.2 -0.934 96.8-111.2-110.1 125.0 26.6 45.3 -10.5 191 200 A P > - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.068 27.1-107.0 -58.5 162.5 25.6 42.1 -12.5 192 201 A L H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.841 116.2 55.3 -58.1 -41.3 23.1 39.5 -11.3 193 202 A N H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 112.0 43.1 -66.7 -36.9 25.7 36.9 -10.6 194 203 A I H > S+ 0 0 66 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.891 113.2 53.0 -71.5 -37.5 27.6 39.2 -8.3 195 204 A E H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 106.8 51.9 -60.4 -43.4 24.4 40.4 -6.7 196 205 A T H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.927 109.3 50.3 -64.1 -38.1 23.4 36.8 -6.0 197 206 A L H X S+ 0 0 49 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.924 109.1 51.3 -61.9 -45.3 26.7 36.2 -4.3 198 207 A L H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.959 112.7 45.7 -54.8 -50.7 26.4 39.3 -2.1 199 208 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.846 111.7 52.2 -66.4 -29.3 22.9 38.2 -1.1 200 209 A M H X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.903 110.4 47.7 -72.5 -40.4 24.1 34.7 -0.4 201 210 A V H X S+ 0 0 77 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.938 116.3 43.9 -65.8 -39.3 26.9 36.0 1.8 202 211 A L H X S+ 0 0 20 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.974 113.7 50.3 -68.2 -48.9 24.5 38.3 3.7 203 212 A D H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 5,-0.4 0.912 111.8 46.4 -55.5 -51.9 21.7 35.6 4.0 204 213 A V H X>S+ 0 0 27 -4,-2.5 5,-2.7 1,-0.2 4,-1.2 0.941 116.5 46.2 -60.1 -40.3 24.0 32.9 5.4 205 214 A S H <>S+ 0 0 47 -4,-1.7 5,-1.5 -5,-0.3 -2,-0.2 0.928 115.5 44.4 -67.7 -38.3 25.6 35.4 7.8 206 215 A A H <5S+ 0 0 2 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.697 128.2 29.1 -77.0 -21.5 22.2 36.9 9.0 207 216 A K H X5S+ 0 0 3 -4,-1.8 4,-1.7 -5,-0.3 -3,-0.2 0.871 135.3 21.1-103.1 -66.6 20.6 33.4 9.3 208 217 A V H X5S+ 0 0 19 -4,-1.2 4,-2.3 -5,-0.4 5,-0.2 0.917 128.3 47.5 -76.5 -43.6 23.3 30.9 10.1 209 218 A G H >< S+ 0 0 0 -4,-2.6 3,-0.8 -5,-0.2 6,-0.3 0.947 113.3 47.2 -64.0 -51.4 22.5 33.2 19.5 215 224 A L H 3< S+ 0 0 6 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.470 107.8 56.0 -77.6 -5.9 22.2 29.4 20.2 216 225 A R H 3< S+ 0 0 191 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.650 92.5 94.2 -95.9 -20.3 25.7 29.2 21.8 217 226 A S S X< S- 0 0 18 -3,-0.8 3,-0.6 -4,-0.8 -59,-0.0 -0.343 71.9-143.8 -67.6 146.9 24.7 31.9 24.3 218 227 A R G > S+ 0 0 169 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 0.429 87.7 92.2 -88.0 -1.7 23.2 31.0 27.7 219 228 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.718 75.9 64.5 -62.4 -19.4 21.0 34.1 27.2 220 229 A I G < S+ 0 0 2 -3,-0.6 2,-0.3 -6,-0.3 -1,-0.3 0.546 88.6 81.1 -85.8 -6.9 18.4 31.7 25.7 221 230 A F < 0 0 44 -3,-1.6 -3,-0.0 -187,-0.1 0, 0.0 -0.719 360.0 360.0 -99.5 147.6 17.8 29.7 28.9 222 231 A G 0 0 75 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.241 360.0 360.0 -62.5 360.0 15.6 30.7 31.8