==== 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 TRANSPORT PROTEIN 15-AUG-06 2I1X . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI,B.SCHOBERT . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 88.3 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 . 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 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 . 6 2.7 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 0 114 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-173.0 23.0 25.5 -15.6 2 6 A G + 0 0 83 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.100 360.0 96.8 -81.5 22.0 23.3 28.5 -17.9 3 7 A R > - 0 0 47 1,-0.1 3,-3.9 191,-0.0 4,-0.3 -0.925 64.3-152.9-115.0 109.3 22.9 31.0 -15.0 4 8 A P T > S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.789 96.2 58.8 -49.7 -33.4 26.3 32.2 -13.8 5 9 A E T >> S+ 0 0 11 1,-0.2 4,-1.8 2,-0.1 3,-0.5 0.538 77.3 96.4 -76.6 -2.0 24.8 32.9 -10.4 6 10 A W H <> S+ 0 0 106 -3,-3.9 4,-3.6 1,-0.2 5,-0.3 0.898 77.4 59.3 -54.8 -39.2 23.8 29.2 -10.1 7 11 A I H <> S+ 0 0 68 -3,-0.8 4,-2.7 -4,-0.3 -1,-0.2 0.919 105.5 46.3 -59.2 -42.4 26.9 28.5 -8.1 8 12 A W H <> S+ 0 0 70 -3,-0.5 4,-2.9 -4,-0.3 -1,-0.2 0.861 113.6 49.7 -70.8 -29.1 26.0 31.0 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.960 112.7 46.2 -72.2 -44.3 22.5 29.6 -5.2 10 14 A A H X S+ 0 0 28 -4,-3.6 4,-3.0 2,-0.2 5,-0.2 0.948 115.6 47.4 -57.5 -45.1 23.7 26.1 -5.0 11 15 A L H X S+ 0 0 61 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.950 113.2 47.1 -63.3 -45.7 26.2 27.2 -2.3 12 16 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.941 110.8 52.9 -61.2 -43.4 23.6 29.1 -0.4 13 17 A T H X S+ 0 0 14 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.965 111.8 46.4 -52.8 -53.1 21.2 26.1 -0.7 14 18 A A H X S+ 0 0 46 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.935 112.8 48.5 -57.0 -47.4 23.9 23.9 0.8 15 19 A L H X S+ 0 0 60 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.903 112.9 46.2 -68.2 -34.5 24.8 26.3 3.6 16 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.923 113.0 51.8 -71.5 -37.8 21.2 26.9 4.7 17 21 A G H X S+ 0 0 13 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.954 111.5 45.2 -56.7 -53.7 20.6 23.1 4.5 18 22 A L H X S+ 0 0 113 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.906 112.4 51.8 -62.8 -38.7 23.6 22.3 6.7 19 23 A G H X S+ 0 0 7 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.927 107.0 53.7 -65.5 -38.3 22.8 25.0 9.1 20 24 A T H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.972 112.0 43.4 -56.6 -54.2 19.2 23.7 9.5 21 25 A L H X S+ 0 0 108 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.909 112.0 55.3 -57.8 -41.0 20.4 20.2 10.3 22 26 A Y H X S+ 0 0 92 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.970 112.0 41.3 -59.1 -51.6 23.0 21.6 12.6 23 27 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.871 112.0 57.7 -64.1 -34.9 20.5 23.6 14.7 24 28 A L H X S+ 0 0 98 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.965 110.8 40.9 -57.2 -56.8 18.1 20.7 14.6 25 29 A V H >< S+ 0 0 94 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.939 114.8 52.5 -58.6 -47.3 20.5 18.3 16.2 26 30 A K H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.893 104.5 55.7 -62.2 -32.7 21.7 20.9 18.6 27 31 A G H >< S+ 0 0 18 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.3 0.714 81.5 114.6 -74.0 -13.7 18.2 21.7 19.7 28 32 A M T << S+ 0 0 148 -3,-1.4 3,-0.1 -4,-0.7 -3,-0.0 -0.385 80.1 19.3 -58.1 124.0 17.7 18.0 20.6 29 33 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.107 84.5 140.1 103.6 -17.7 17.2 17.6 24.4 30 34 A V < + 0 0 32 -3,-1.9 -1,-0.3 1,-0.2 -3,-0.0 -0.368 14.3 162.5 -60.4 124.3 16.2 21.2 25.1 31 35 A S + 0 0 95 -2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.618 36.9 109.4-117.6 -21.6 13.4 21.3 27.6 32 36 A D > - 0 0 34 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.396 64.9-142.1 -56.7 118.3 13.6 24.9 28.8 33 37 A P H > S+ 0 0 90 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.857 99.7 47.8 -49.4 -46.0 10.5 26.6 27.4 34 38 A D H >> S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.926 111.7 49.0 -63.4 -47.8 12.4 29.9 26.7 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.902 103.9 61.9 -60.1 -40.4 15.3 28.1 25.0 36 40 A K H 3X S+ 0 0 112 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.863 99.5 55.4 -54.7 -35.5 12.8 26.2 22.9 37 41 A K H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.844 113.2 62.0 -68.3 -26.0 17.5 28.6 7.7 47 51 A A H X S+ 0 0 27 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.958 108.4 41.1 -62.5 -46.0 15.0 25.9 7.0 48 52 A I H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.944 114.1 53.1 -63.4 -45.9 12.8 28.4 5.1 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-4.1 -5,-0.3 5,-0.3 0.913 104.7 56.2 -57.6 -40.9 15.8 30.0 3.5 50 54 A F H X S+ 0 0 78 -4,-3.0 4,-3.7 2,-0.2 5,-0.2 0.957 108.5 46.6 -54.1 -48.4 16.9 26.6 2.2 51 55 A T H X S+ 0 0 63 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.943 115.5 45.6 -65.4 -39.2 13.6 26.0 0.5 52 56 A M H X S+ 0 0 37 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.915 112.7 50.4 -73.6 -35.0 13.7 29.5 -1.0 53 57 A Y H X S+ 0 0 0 -4,-4.1 4,-2.8 -5,-0.3 -2,-0.2 0.943 110.6 51.1 -64.8 -41.4 17.3 29.0 -2.0 54 58 A L H X S+ 0 0 57 -4,-3.7 4,-2.8 -5,-0.3 6,-0.3 0.952 107.5 51.1 -60.7 -41.4 16.5 25.7 -3.6 55 59 A S H X>S+ 0 0 17 -4,-2.6 6,-1.7 -5,-0.2 5,-1.3 0.888 110.9 49.8 -67.4 -26.0 13.6 27.2 -5.6 56 60 A M H ><5S+ 0 0 0 -4,-1.8 3,-1.0 4,-0.2 -1,-0.2 0.959 110.6 49.4 -70.9 -45.1 15.9 29.9 -6.9 57 61 A L H 3<5S+ 0 0 36 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.919 112.4 47.4 -56.3 -44.1 18.5 27.3 -7.9 58 62 A L H 3<5S- 0 0 129 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.576 117.3-113.1 -75.6 -8.4 15.9 25.1 -9.7 59 63 A G T X<5S+ 0 0 29 -3,-1.0 3,-0.8 -4,-0.6 -3,-0.2 0.415 88.2 110.5 94.9 -3.0 14.5 28.2 -11.5 60 64 A Y T 3 +A 70 0A 14 3,-2.1 3,-0.9 -2,-0.4 59,-0.1 -0.922 60.0 27.5-169.9 153.2 11.7 47.7 -17.6 68 72 A G T 3 S- 0 0 62 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.861 130.8 -67.8 58.3 32.4 14.2 50.1 -19.2 69 73 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.878 115.4 108.3 53.7 38.7 13.2 48.2 -22.3 70 74 A E E < S-A 67 0A 130 -3,-0.9 -3,-2.1 -5,-0.1 2,-0.8 -0.953 74.3-119.7-138.8 159.0 14.9 45.1 -21.1 71 75 A Q E -A 66 0A 137 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.852 38.3-163.7-103.5 102.1 13.8 41.7 -19.8 72 76 A N E -A 65 0A 22 -7,-2.2 -7,-3.0 -2,-0.8 2,-0.6 -0.720 17.7-129.8 -96.6 127.8 15.2 41.5 -16.2 73 77 A P E -A 64 0A 39 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.609 28.9-172.4 -75.7 115.6 15.6 38.3 -14.2 74 78 A I E -A 63 0A 0 -11,-3.5 -11,-2.0 -2,-0.6 2,-1.7 -0.939 21.1-144.5-115.8 118.5 14.1 38.9 -10.8 75 79 A Y > + 0 0 0 -2,-0.6 3,-1.3 -13,-0.2 4,-0.4 -0.562 24.3 173.6 -77.0 85.5 14.4 36.4 -8.0 76 80 A W T >> + 0 0 78 -2,-1.7 3,-1.4 1,-0.3 4,-1.2 0.799 65.2 78.9 -65.0 -24.8 11.0 36.9 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-1.7 1,-0.3 -1,-0.3 0.780 79.3 69.4 -58.3 -24.0 11.7 33.9 -4.0 78 82 A R H <> S+ 0 0 3 -3,-1.3 4,-3.1 -17,-0.3 -1,-0.3 0.898 99.2 48.5 -61.8 -34.8 13.9 36.1 -1.8 79 83 A Y H <> S+ 0 0 6 -3,-1.4 4,-3.1 -4,-0.4 -1,-0.2 0.884 106.1 56.0 -72.3 -34.4 10.8 38.1 -0.7 80 84 A A H X S+ 0 0 29 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.886 114.0 42.8 -59.4 -35.8 8.9 34.9 0.1 81 85 A D H >X S+ 0 0 1 -4,-1.7 4,-3.0 2,-0.2 3,-1.1 0.962 115.8 45.0 -70.3 -58.9 11.8 34.0 2.3 82 86 A W H 3X S+ 0 0 16 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.863 100.6 70.2 -59.6 -37.1 12.3 37.4 3.9 83 87 A L H 3< S+ 0 0 72 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.854 116.3 23.1 -52.0 -34.1 8.6 37.8 4.5 84 88 A F H S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 112.5 53.1 -65.1 -30.6 10.0 38.9 11.5 88 92 A L H X S+ 0 0 39 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.943 108.4 48.9 -65.7 -42.9 11.2 35.7 13.1 89 93 A L H X S+ 0 0 8 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.941 111.0 50.6 -60.8 -43.3 14.7 37.2 13.5 90 94 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.855 105.8 57.2 -60.7 -36.3 13.1 40.3 15.1 91 95 A L H X S+ 0 0 50 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.929 101.8 55.1 -61.0 -40.5 11.1 38.1 17.4 92 96 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.949 110.4 45.1 -59.9 -45.9 14.3 36.5 18.7 93 97 A L H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.904 114.4 49.9 -60.0 -41.4 15.7 40.0 19.6 94 98 A A H <>S+ 0 0 1 -4,-2.2 5,-3.6 2,-0.2 4,-0.3 0.876 109.6 48.1 -70.0 -38.5 12.3 41.0 21.2 95 99 A L H ><5S+ 0 0 51 -4,-3.1 3,-0.7 3,-0.2 -1,-0.2 0.910 107.4 61.7 -65.1 -37.2 11.9 37.9 23.3 96 100 A L H 3<5S+ 0 0 11 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.916 113.7 30.8 -45.0 -60.4 15.5 38.5 24.4 97 101 A V T 3<5S- 0 0 25 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.315 113.0-117.5 -88.0 5.7 14.7 41.9 25.9 98 102 A D T < 5 - 0 0 130 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.946 42.9-156.3 59.0 45.0 11.3 40.7 26.8 99 103 A A < - 0 0 16 -5,-3.6 -1,-0.1 -6,-0.1 53,-0.1 -0.189 18.5-101.6 -59.6 146.3 9.8 43.4 24.6 100 104 A D > - 0 0 123 1,-0.1 4,-1.9 -3,-0.1 3,-0.3 -0.290 30.9-117.0 -60.2 148.3 6.2 44.6 25.2 101 105 A Q H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.881 113.7 58.7 -60.9 -37.1 3.7 43.0 22.8 102 106 A G H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 106.4 49.0 -58.6 -40.8 2.8 46.4 21.3 103 107 A T H > S+ 0 0 41 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.919 109.6 51.3 -65.1 -42.2 6.4 46.9 20.3 104 108 A I H X S+ 0 0 36 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.938 108.9 50.9 -61.1 -44.1 6.6 43.4 18.7 105 109 A L H X S+ 0 0 127 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.922 109.9 50.9 -59.8 -40.0 3.5 44.1 16.7 106 110 A A H X S+ 0 0 35 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.950 112.4 46.0 -63.6 -43.1 5.0 47.4 15.5 107 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.960 114.6 45.6 -65.0 -51.6 8.2 45.6 14.4 108 112 A V H X S+ 0 0 59 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.930 114.8 49.5 -57.5 -42.9 6.5 42.7 12.6 109 113 A G H X S+ 0 0 35 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.949 112.7 45.1 -63.8 -47.6 4.2 45.2 11.0 110 114 A A H X S+ 0 0 13 -4,-2.8 4,-3.2 -5,-0.3 -1,-0.2 0.879 112.8 54.3 -59.7 -36.1 6.9 47.5 9.8 111 115 A D H X S+ 0 0 0 -4,-2.7 4,-3.4 -5,-0.2 5,-0.4 0.955 107.9 47.1 -67.1 -47.0 8.9 44.4 8.7 112 116 A G H X S+ 0 0 28 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.928 113.1 49.7 -59.8 -38.3 6.0 43.1 6.5 113 117 A I H X S+ 0 0 98 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.970 110.3 52.4 -64.2 -44.1 5.7 46.6 5.1 114 118 A M H X S+ 0 0 15 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.958 116.9 36.1 -52.7 -55.0 9.4 46.6 4.5 115 119 A I H X S+ 0 0 12 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.944 115.7 54.0 -71.9 -38.7 9.4 43.3 2.6 116 120 A G H X S+ 0 0 27 -4,-3.1 4,-2.1 -5,-0.4 -1,-0.2 0.919 110.7 45.5 -62.0 -37.3 6.1 43.8 0.9 117 121 A T H X S+ 0 0 17 -4,-2.8 4,-3.3 -5,-0.3 5,-0.2 0.891 110.5 54.1 -72.9 -34.8 7.1 47.2 -0.6 118 122 A G H X S+ 0 0 8 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.901 108.7 50.2 -61.5 -37.9 10.5 45.8 -1.7 119 123 A L H X S+ 0 0 57 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.934 110.7 48.2 -65.4 -45.8 8.7 43.0 -3.5 120 124 A V H X S+ 0 0 63 -4,-2.1 4,-1.1 -5,-0.2 3,-0.3 0.954 112.7 48.1 -61.8 -42.3 6.4 45.5 -5.2 121 125 A G H >< S+ 0 0 0 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.917 108.9 56.3 -61.5 -34.8 9.3 47.6 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.847 114.8 36.4 -64.1 -34.1 11.0 44.4 -7.4 123 127 A L H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 -3,-0.3 2,-0.2 0.390 87.7 120.9 -98.6 -2.9 8.1 43.6 -9.8 124 128 A T << - 0 0 23 -4,-1.1 6,-0.1 -3,-0.6 -59,-0.0 -0.454 49.1-157.1 -69.5 130.2 7.2 47.2 -10.9 125 129 A K S S+ 0 0 145 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.579 73.4 82.6 -85.9 -11.3 7.5 47.8 -14.7 126 130 A V S >> S- 0 0 71 1,-0.2 4,-1.2 -59,-0.1 3,-0.6 -0.852 73.9-148.2 -96.7 111.2 8.0 51.6 -14.5 127 131 A Y H >> S+ 0 0 88 -2,-0.8 3,-1.1 1,-0.3 4,-0.8 0.841 91.9 47.1 -43.2 -56.7 11.7 52.1 -13.8 128 132 A S H >> S+ 0 0 79 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.850 106.8 58.2 -60.5 -36.7 11.4 55.3 -11.7 129 133 A Y H <> S+ 0 0 146 -3,-0.6 4,-1.8 1,-0.2 3,-0.3 0.808 91.7 70.2 -67.0 -23.4 8.6 53.9 -9.6 130 134 A R H > - 0 0 87 -2,-0.2 4,-2.4 1,-0.2 3,-0.8 -0.316 35.5-123.9 -58.7 135.8 20.0 40.4 32.9 157 165 A P H 3> S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.788 114.8 57.5 -50.6 -27.6 23.5 41.5 32.0 158 166 A E H 3> S+ 0 0 75 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.893 106.6 48.3 -67.5 -41.8 23.6 38.3 29.8 159 167 A V H <> S+ 0 0 8 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.978 115.2 42.5 -61.3 -56.9 20.5 39.4 28.0 160 168 A A H X S+ 0 0 16 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.947 113.9 52.8 -56.5 -49.4 21.8 43.0 27.3 161 169 A S H X S+ 0 0 65 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.911 114.6 40.7 -54.2 -48.4 25.3 41.7 26.4 162 170 A T H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.888 114.3 54.6 -69.2 -35.2 23.9 39.2 23.9 163 171 A F H X S+ 0 0 4 -4,-3.0 4,-4.3 -5,-0.2 5,-0.3 0.962 105.0 51.5 -63.2 -49.5 21.4 41.8 22.7 164 172 A K H X S+ 0 0 109 -4,-3.4 4,-2.3 2,-0.2 5,-0.2 0.913 114.1 44.8 -52.2 -47.8 24.0 44.5 22.0 165 173 A V H X S+ 0 0 71 -4,-1.5 4,-2.4 -5,-0.3 5,-0.2 0.979 116.8 43.2 -60.8 -57.8 26.0 42.0 19.9 166 174 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.904 114.7 52.4 -58.5 -39.3 23.1 40.6 18.0 167 175 A R H X S+ 0 0 45 -4,-4.3 4,-2.1 -5,-0.3 -1,-0.2 0.876 108.7 48.8 -66.8 -33.5 21.7 44.2 17.6 168 176 A N H X S+ 0 0 82 -4,-2.3 4,-1.9 -5,-0.3 5,-0.2 0.888 111.2 51.5 -71.0 -34.0 25.0 45.4 16.1 169 177 A V H X S+ 0 0 35 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.908 110.6 48.8 -63.2 -41.4 25.1 42.5 13.8 170 178 A T H X>S+ 0 0 2 -4,-2.1 4,-3.5 -5,-0.2 5,-0.5 0.967 109.7 48.9 -65.5 -54.3 21.6 43.2 12.6 171 179 A V H X5S+ 0 0 26 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.919 116.2 44.5 -53.5 -45.4 22.0 46.9 11.9 172 180 A V H X5S+ 0 0 105 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.971 120.0 37.8 -69.4 -51.2 25.2 46.2 10.0 173 181 A L H >X5S+ 0 0 31 -4,-3.0 3,-1.0 -5,-0.2 4,-0.7 0.955 118.0 47.7 -71.0 -41.6 24.0 43.3 7.9 174 182 A W H ><5S+ 0 0 11 -4,-3.5 3,-1.3 -5,-0.3 -1,-0.2 0.939 104.5 60.1 -65.8 -39.0 20.4 44.5 7.3 175 183 A S H 3X S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 112.6 51.4 -58.9 -33.9 18.9 48.1 0.5 179 187 A V H X S+ 0 0 77 -4,-0.7 4,-3.0 2,-0.2 5,-0.3 0.952 109.6 47.4 -68.5 -44.6 22.3 49.0 -0.9 180 188 A V H X S+ 0 0 11 -4,-2.8 4,-3.1 1,-0.2 7,-0.2 0.958 113.9 48.3 -58.8 -45.7 22.8 45.7 -2.8 181 189 A W H < S+ 0 0 14 -4,-2.6 6,-0.7 -5,-0.2 8,-0.3 0.944 112.1 49.8 -58.5 -46.1 19.3 46.0 -4.2 182 190 A L H < S+ 0 0 58 -4,-2.4 6,-2.9 -5,-0.3 7,-0.3 0.935 120.3 34.0 -60.6 -47.0 19.9 49.6 -5.2 183 191 A I H < S+ 0 0 50 -4,-3.0 7,-2.0 4,-0.2 8,-1.9 0.762 112.7 78.6 -82.5 -20.6 23.2 48.8 -7.0 184 192 A G S ><>S- 0 0 0 -4,-3.1 5,-2.5 -5,-0.3 3,-1.3 0.165 104.0 -77.2 -79.2-167.8 22.1 45.4 -8.2 185 193 A S T 3 5S+ 0 0 19 1,-0.3 -4,-0.1 4,-0.2 -3,-0.1 0.699 124.1 62.3 -72.1 -16.0 19.8 44.2 -11.0 186 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.716 120.9 13.9 -77.9 -20.0 16.6 45.2 -9.2 187 195 A G T < 5S- 0 0 2 -3,-1.3 -5,-0.2 -6,-0.7 -4,-0.2 0.316 134.5 -8.5-119.4-113.0 17.7 48.8 -9.2 188 196 A A T 5S- 0 0 44 -6,-2.9 -5,-0.2 -7,-0.1 -3,-0.2 0.670 75.8-134.9 -72.8 -15.0 20.4 50.7 -11.1 189 197 A G < + 0 0 48 -5,-2.5 -5,-0.2 -7,-0.3 -4,-0.2 0.852 59.7 137.4 65.4 35.1 21.9 47.6 -12.5 190 198 A I + 0 0 122 -7,-2.0 -6,-0.2 -6,-0.3 -7,-0.1 0.684 67.0 47.8 -83.3 -23.6 25.5 48.8 -11.6 191 199 A V S S- 0 0 31 -8,-1.9 -1,-0.1 -11,-0.1 -2,-0.1 -0.976 96.0-114.6-119.5 129.1 26.5 45.4 -10.3 192 200 A P >> - 0 0 79 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.235 28.6-106.9 -69.0 157.1 25.7 42.3 -12.5 193 201 A L H 3> S+ 0 0 22 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.801 116.2 56.4 -57.6 -30.4 23.2 39.7 -11.2 194 202 A N H 3> S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.915 110.6 44.4 -73.4 -30.5 25.9 37.0 -10.4 195 203 A I H <> S+ 0 0 64 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.899 113.3 51.4 -73.7 -39.0 27.7 39.4 -8.1 196 204 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.909 109.1 49.4 -61.2 -42.7 24.5 40.5 -6.5 197 205 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.949 110.0 53.3 -64.6 -41.1 23.4 37.0 -5.9 198 206 A L H X S+ 0 0 46 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.915 109.3 47.8 -53.9 -47.6 26.8 36.4 -4.3 199 207 A L H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.931 111.8 48.7 -63.6 -44.6 26.4 39.3 -2.0 200 208 A F H X S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.908 109.0 54.4 -62.2 -39.1 22.9 38.3 -0.9 201 209 A M H X S+ 0 0 7 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.941 109.6 46.7 -60.6 -46.1 24.1 34.8 -0.3 202 210 A V H X S+ 0 0 79 -4,-2.3 4,-1.7 1,-0.2 5,-0.2 0.897 115.9 46.0 -62.4 -37.7 26.9 36.0 2.0 203 211 A L H X S+ 0 0 20 -4,-2.4 4,-3.8 -5,-0.2 5,-0.3 0.954 112.5 50.2 -69.6 -44.9 24.4 38.3 3.8 204 212 A D H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 5,-0.4 0.948 112.0 45.8 -58.3 -52.4 21.8 35.6 4.2 205 213 A V H X>S+ 0 0 26 -4,-2.5 5,-2.0 -5,-0.3 4,-1.3 0.946 118.5 42.8 -60.5 -42.5 24.1 33.0 5.6 206 214 A S H <>S+ 0 0 44 -4,-1.7 5,-1.8 -5,-0.3 -2,-0.2 0.919 116.5 47.5 -69.1 -40.9 25.6 35.5 8.1 207 215 A A H <5S+ 0 0 3 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.832 129.2 24.9 -67.7 -26.3 22.2 37.0 8.9 208 216 A K H X5S+ 0 0 6 -4,-2.6 4,-2.0 -5,-0.3 -3,-0.2 0.875 132.8 26.6-103.7 -64.2 20.8 33.5 9.4 209 217 A V H X5S+ 0 0 23 -4,-1.3 4,-3.0 -5,-0.4 -3,-0.2 0.974 127.3 42.4 -66.7 -53.8 23.4 31.0 10.3 210 218 A G H >X S+ 0 0 62 -4,-2.9 3,-0.9 -5,-0.2 4,-0.7 0.929 117.2 46.5 -57.2 -44.4 25.9 33.8 18.1 215 223 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.922 109.6 51.8 -61.4 -49.0 22.4 33.5 19.6 216 224 A L H 3< S+ 0 0 8 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.505 102.3 63.7 -73.8 1.2 22.6 29.9 20.4 217 225 A R H << S+ 0 0 163 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.746 85.7 86.4 -92.8 -25.3 25.9 30.4 22.3 218 226 A S X< - 0 0 21 -3,-1.1 3,-0.9 -4,-0.7 4,-0.1 -0.457 69.2-143.1 -82.5 146.4 24.5 32.7 25.0 219 227 A R G > S+ 0 0 182 1,-0.2 3,-1.3 -2,-0.2 -1,-0.1 0.486 89.9 89.4 -78.5 0.0 23.0 31.6 28.3 220 228 A A G 3 S+ 0 0 9 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.766 76.3 63.9 -67.9 -22.4 20.6 34.5 27.8 221 229 A I G < S+ 0 0 0 -3,-0.9 2,-0.3 -6,-0.3 -183,-0.3 0.610 93.1 77.6 -78.0 -10.0 18.3 32.3 25.9 222 230 A F < 0 0 50 -3,-1.3 -3,-0.0 -188,-0.1 0, 0.0 -0.714 360.0 360.0-104.6 153.4 17.6 30.0 28.9 223 231 A G 0 0 76 -2,-0.3 -1,-0.1 0, 0.0 -191,-0.1 0.188 360.0 360.0 -91.9 360.0 15.4 30.7 31.9