==== 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 13-JUN-02 1M0L . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10271.0 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 . 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 65.8 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 1 0 1 1 2 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 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 0 105 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-146.3 23.4 25.7 -15.1 2 6 A G + 0 0 80 4,-0.1 3,-0.1 3,-0.0 0, 0.0 0.444 360.0 92.9 -85.7 -1.6 23.6 28.4 -17.8 3 7 A R S > S- 0 0 49 1,-0.2 3,-2.6 2,-0.0 4,-0.3 -0.825 70.0-152.4 -95.1 117.9 22.9 30.9 -15.1 4 8 A P T > S+ 0 0 86 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.875 95.0 61.6 -64.1 -28.3 26.2 32.2 -13.9 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.8 2,-0.1 3,-0.7 0.612 76.5 95.9 -70.1 -6.1 24.7 32.9 -10.6 6 10 A W H <> S+ 0 0 106 -3,-2.6 4,-2.8 1,-0.2 5,-0.3 0.885 75.6 59.8 -52.7 -41.3 23.8 29.2 -10.1 7 11 A I H <> S+ 0 0 67 -3,-0.8 4,-2.7 -4,-0.3 -1,-0.2 0.923 106.3 45.8 -57.5 -38.2 26.9 28.5 -8.0 8 12 A W H <> S+ 0 0 67 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.901 112.2 50.5 -73.8 -34.6 26.0 31.0 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 48,-0.2 0.855 112.8 48.4 -65.9 -34.6 22.4 29.8 -5.2 10 14 A A H X S+ 0 0 26 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.924 113.0 46.3 -68.5 -45.2 23.8 26.2 -4.8 11 15 A L H X S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.912 113.3 49.7 -62.9 -36.2 26.2 27.2 -2.1 12 16 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.900 109.4 51.8 -71.9 -34.3 23.5 29.2 -0.3 13 17 A T H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 113.4 44.8 -61.8 -47.3 21.2 26.2 -0.5 14 18 A A H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.911 113.7 48.5 -64.5 -42.7 23.9 24.0 1.0 15 19 A L H X S+ 0 0 63 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.933 113.2 46.4 -70.0 -34.4 24.8 26.4 3.7 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 34,-0.2 0.890 113.1 50.6 -73.1 -32.8 21.3 27.0 4.7 17 21 A G H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 112.5 46.6 -61.4 -53.4 20.6 23.2 4.7 18 22 A L H X S+ 0 0 109 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.911 111.8 49.9 -60.9 -42.9 23.6 22.5 6.8 19 23 A G H X S+ 0 0 7 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.945 109.5 52.5 -62.7 -40.1 22.8 25.3 9.3 20 24 A T H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.950 112.0 44.5 -58.7 -46.8 19.3 24.0 9.6 21 25 A L H X S+ 0 0 109 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.930 112.4 53.2 -67.7 -38.4 20.4 20.5 10.4 22 26 A Y H X S+ 0 0 102 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.969 112.6 42.6 -58.2 -48.7 23.1 21.8 12.8 23 27 A F H X S+ 0 0 1 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.905 112.5 55.4 -69.9 -30.9 20.6 23.9 14.8 24 28 A L H < S+ 0 0 93 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.952 112.5 40.6 -58.8 -53.7 18.1 21.0 14.7 25 29 A V H >< S+ 0 0 93 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.973 113.4 56.2 -59.0 -51.0 20.5 18.5 16.2 26 30 A K H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.892 104.4 51.3 -49.0 -45.8 21.8 21.2 18.6 27 31 A G T >< S+ 0 0 19 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.3 0.555 81.4 117.5 -77.9 3.2 18.4 21.9 20.1 28 32 A M T < S+ 0 0 143 -3,-2.3 3,-0.1 -4,-0.3 -3,-0.0 -0.555 79.6 20.4 -70.3 134.2 17.7 18.2 20.7 29 33 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.139 84.4 137.0 98.4 -19.1 17.4 17.7 24.4 30 34 A V < + 0 0 30 -3,-1.7 -1,-0.3 1,-0.2 -3,-0.0 -0.376 17.6 165.6 -64.3 127.7 16.5 21.3 25.3 31 35 A S + 0 0 92 -2,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.650 39.4 108.3-115.7 -17.6 13.6 21.2 27.8 32 36 A D > - 0 0 43 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.454 65.0-145.0 -61.5 113.4 13.8 24.8 29.0 33 37 A P H > S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.847 97.7 52.1 -45.8 -43.2 10.7 26.4 27.5 34 38 A D H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.970 112.7 43.9 -63.3 -48.7 12.4 29.7 27.0 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.906 107.3 61.7 -58.3 -44.6 15.3 28.1 25.2 36 40 A K H X S+ 0 0 116 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.821 102.0 53.1 -51.3 -37.4 12.8 26.0 23.2 37 41 A K H X S+ 0 0 93 -4,-1.6 4,-2.5 -3,-0.4 5,-0.3 0.921 109.2 46.1 -64.7 -46.8 11.4 29.2 21.8 38 42 A F H X S+ 0 0 8 -4,-1.5 4,-2.3 183,-0.2 -2,-0.2 0.893 113.2 50.7 -67.4 -35.9 14.7 30.5 20.6 39 43 A Y H X S+ 0 0 21 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.923 111.1 47.6 -64.2 -43.7 15.6 27.2 19.1 40 44 A A H X S+ 0 0 52 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.954 116.7 43.1 -60.7 -50.8 12.3 26.9 17.2 41 45 A I H X S+ 0 0 15 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.955 117.3 45.9 -61.5 -43.9 12.6 30.4 15.8 42 46 A T H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.746 113.1 47.4 -77.0 -22.3 16.2 30.1 15.0 43 47 A T H X S+ 0 0 19 -4,-2.0 4,-1.4 -3,-0.2 -1,-0.2 0.807 109.1 56.1 -81.5 -38.6 16.0 26.7 13.3 44 48 A L H X S+ 0 0 89 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.905 96.2 66.1 -61.8 -38.6 13.0 27.7 11.2 45 49 A V H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.961 108.7 33.8 -54.4 -58.2 14.8 30.7 9.7 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.805 113.5 62.6 -73.4 -15.5 17.4 28.9 7.7 47 51 A A H X S+ 0 0 29 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.950 107.7 42.3 -66.4 -45.1 14.9 26.1 7.0 48 52 A I H X S+ 0 0 39 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.948 114.5 51.2 -64.0 -44.0 12.7 28.5 5.2 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.3 5,-0.3 0.892 104.3 58.6 -62.5 -37.5 15.7 30.1 3.5 50 54 A F H X S+ 0 0 77 -4,-2.6 4,-2.5 -34,-0.2 5,-0.2 0.940 106.9 47.1 -52.6 -47.4 16.9 26.6 2.4 51 55 A T H X S+ 0 0 65 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.898 114.3 45.6 -65.9 -34.5 13.6 26.1 0.5 52 56 A M H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 111.3 51.9 -79.0 -35.2 13.7 29.5 -1.2 53 57 A Y H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.931 111.7 48.9 -58.0 -43.4 17.4 29.2 -2.1 54 58 A L H X S+ 0 0 61 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.944 107.5 54.1 -65.4 -38.1 16.5 25.8 -3.7 55 59 A S H <>S+ 0 0 16 -4,-2.1 6,-2.1 -5,-0.2 5,-1.0 0.897 111.6 45.2 -63.8 -32.3 13.6 27.3 -5.5 56 60 A M H ><5S+ 0 0 1 -4,-1.9 3,-0.9 4,-0.2 -2,-0.2 0.959 110.7 53.7 -71.3 -41.8 15.9 29.9 -7.0 57 61 A L H 3<5S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.859 111.5 44.7 -55.0 -44.1 18.5 27.3 -7.8 58 62 A L T 3<5S- 0 0 129 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.535 117.0-113.3 -81.0 -5.0 15.9 25.1 -9.7 59 63 A G T X 5S+ 0 0 27 -3,-0.9 3,-1.0 -4,-0.5 -3,-0.2 0.410 87.3 111.6 94.1 -4.8 14.5 28.2 -11.5 60 64 A Y T 3 +A 70 0A 11 3,-1.8 3,-2.5 -2,-0.5 59,-0.1 -0.918 64.5 25.3-160.9 162.4 11.3 47.6 -17.3 68 72 A G T 3 S- 0 0 59 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.783 130.3 -71.9 45.4 32.0 13.8 49.9 -19.0 69 73 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 2,-0.3 0.713 112.9 102.2 52.4 27.6 12.6 48.1 -22.2 70 74 A E E < S-A 67 0A 132 -3,-2.5 -3,-1.8 -5,-0.1 2,-0.8 -0.812 80.6-109.3-124.7 169.0 14.4 44.8 -21.2 71 75 A Q E -A 66 0A 136 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.896 41.2-161.7 -98.4 98.7 13.4 41.5 -19.7 72 76 A N E -A 65 0A 25 -7,-2.7 -7,-3.2 -2,-0.8 2,-0.4 -0.735 15.8-130.0 -90.3 120.6 15.0 41.7 -16.3 73 77 A P E -A 64 0A 38 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.565 30.4-174.5 -67.1 118.3 15.5 38.4 -14.3 74 78 A I E -A 63 0A 0 -11,-3.6 -11,-2.7 -2,-0.4 2,-1.4 -0.978 22.1-145.3-121.2 119.7 14.0 39.0 -10.9 75 79 A Y > + 0 0 0 -2,-0.5 3,-0.8 -13,-0.2 4,-0.3 -0.658 24.1 173.9 -78.7 92.2 14.3 36.4 -8.1 76 80 A W T >> + 0 0 79 -2,-1.4 3,-1.5 -15,-0.4 4,-1.1 0.742 64.4 78.5 -72.5 -20.8 11.0 36.9 -6.4 77 81 A A H 3> S+ 0 0 0 -16,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.818 79.1 70.0 -65.2 -20.0 11.5 34.0 -4.1 78 82 A R H <> S+ 0 0 3 -3,-0.8 4,-2.8 -17,-0.3 -1,-0.3 0.892 97.6 51.8 -56.6 -33.8 13.8 36.1 -1.9 79 83 A Y H <> S+ 0 0 6 -3,-1.5 4,-2.3 -4,-0.3 -1,-0.2 0.891 105.3 53.4 -75.6 -33.6 10.8 38.1 -0.8 80 84 A A H X S+ 0 0 30 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.879 112.6 46.7 -62.3 -35.7 8.8 35.0 0.1 81 85 A D H >X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 3,-1.3 0.994 115.1 43.6 -59.2 -62.5 11.8 34.0 2.3 82 86 A W H 3X S+ 0 0 17 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.795 100.0 70.3 -63.9 -29.2 12.2 37.3 3.9 83 87 A L H 3< S+ 0 0 75 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.893 117.7 21.9 -54.1 -34.2 8.6 37.9 4.5 84 88 A F H S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.919 111.6 53.3 -64.9 -31.4 10.0 38.9 11.4 88 92 A L H X S+ 0 0 37 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.931 107.3 50.7 -63.1 -39.5 11.2 35.7 13.0 89 93 A L H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 112.2 47.9 -63.8 -41.9 14.7 37.2 13.4 90 94 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.878 106.2 56.6 -66.3 -33.5 13.1 40.3 15.0 91 95 A L H X S+ 0 0 51 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.925 103.5 55.7 -62.5 -39.7 11.0 38.0 17.3 92 96 A D H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.940 112.3 42.0 -58.5 -49.1 14.4 36.5 18.5 93 97 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.942 114.5 51.4 -61.9 -45.5 15.6 39.9 19.5 94 98 A A H <>S+ 0 0 1 -4,-2.8 5,-2.8 1,-0.2 4,-0.3 0.847 110.9 46.8 -60.5 -37.9 12.2 40.9 20.9 95 99 A L H ><5S+ 0 0 52 -4,-2.8 3,-0.7 3,-0.2 -1,-0.2 0.862 105.3 61.4 -75.2 -35.5 12.0 37.8 23.1 96 100 A L H 3<5S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.940 114.5 33.7 -52.9 -50.3 15.6 38.2 24.3 97 101 A V T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.376 109.0-120.5 -91.2 5.6 14.7 41.6 25.8 98 102 A D T < 5 - 0 0 136 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.931 42.0-162.6 60.6 42.6 11.1 40.7 26.8 99 103 A A < - 0 0 15 -5,-2.8 -1,-0.1 -6,-0.1 53,-0.1 -0.153 23.1 -98.0 -59.4 153.0 9.6 43.5 24.7 100 104 A D > - 0 0 121 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.363 32.4-118.4 -61.5 148.3 6.1 44.7 25.2 101 105 A Q H > S+ 0 0 171 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 114.4 59.4 -62.1 -33.4 3.6 43.1 22.7 102 106 A G H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 106.3 47.5 -64.3 -36.6 2.8 46.6 21.3 103 107 A T H > S+ 0 0 39 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 110.5 52.1 -69.4 -38.3 6.5 46.9 20.3 104 108 A I H X S+ 0 0 35 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.919 110.5 47.6 -65.3 -40.2 6.6 43.4 18.8 105 109 A L H X S+ 0 0 127 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.933 110.3 52.2 -69.1 -37.9 3.5 44.2 16.7 106 110 A A H X S+ 0 0 34 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.931 113.6 45.8 -56.6 -41.9 5.0 47.5 15.5 107 111 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.940 113.3 45.1 -71.3 -49.8 8.2 45.6 14.5 108 112 A V H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.931 116.3 48.1 -59.1 -42.6 6.6 42.7 12.7 109 113 A G H X S+ 0 0 33 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.922 110.2 49.4 -69.5 -39.0 4.2 45.0 10.9 110 114 A A H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.874 111.7 52.1 -61.5 -34.8 6.9 47.5 9.8 111 115 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.925 106.6 51.8 -65.9 -42.5 8.8 44.5 8.6 112 116 A G H X S+ 0 0 30 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.933 110.7 48.4 -57.9 -42.9 5.9 43.3 6.6 113 117 A I H X S+ 0 0 98 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.948 109.7 53.7 -62.8 -43.0 5.7 46.7 5.0 114 118 A M H X S+ 0 0 18 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.940 115.9 37.1 -53.8 -52.9 9.4 46.6 4.3 115 119 A I H X S+ 0 0 12 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.928 116.0 52.2 -72.3 -42.2 9.3 43.3 2.5 116 120 A G H X S+ 0 0 29 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.940 111.7 45.2 -60.6 -39.1 6.1 43.8 0.8 117 121 A T H X S+ 0 0 17 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.866 110.2 56.0 -73.5 -29.7 7.0 47.2 -0.7 118 122 A G H X S+ 0 0 9 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.930 108.7 48.6 -60.4 -38.8 10.4 45.7 -1.7 119 123 A L H X S+ 0 0 58 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.933 110.7 48.7 -64.7 -46.1 8.4 43.0 -3.6 120 124 A V H X S+ 0 0 60 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.945 112.4 50.0 -58.8 -44.0 6.2 45.6 -5.3 121 125 A G H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.932 108.2 53.1 -58.8 -39.4 9.3 47.5 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.5 38.1 -65.1 -30.1 10.9 44.4 -7.6 123 127 A L H 3< S+ 0 0 72 -4,-1.7 2,-0.2 -3,-0.3 -1,-0.2 0.423 85.9 117.9-102.0 -1.2 8.0 43.7 -9.8 124 128 A T << - 0 0 23 -4,-1.1 6,-0.1 -3,-0.7 -59,-0.0 -0.454 49.3-158.0 -70.0 131.1 7.1 47.2 -10.9 125 129 A K S S+ 0 0 143 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.706 72.3 83.7 -89.5 -13.3 7.4 47.8 -14.6 126 130 A V S >> S- 0 0 75 1,-0.2 4,-1.1 -59,-0.1 3,-0.7 -0.827 74.0-149.8 -90.0 109.5 7.8 51.6 -14.5 127 131 A Y H >> S+ 0 0 90 -2,-0.8 3,-1.0 1,-0.3 4,-0.7 0.881 89.5 49.5 -53.4 -52.0 11.5 52.0 -13.8 128 132 A S H >> S+ 0 0 84 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.891 107.5 57.2 -56.9 -33.0 11.4 55.3 -11.9 129 133 A Y H X> S+ 0 0 138 -3,-0.7 4,-1.9 1,-0.2 3,-0.5 0.815 88.6 74.6 -71.4 -22.9 8.7 54.0 -9.6 130 134 A R H > - 0 0 88 1,-0.1 4,-1.8 64,-0.1 3,-1.2 -0.487 42.7-109.3 -57.5 144.7 20.0 40.2 33.4 157 165 A P H 3> S+ 0 0 109 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.724 118.5 60.8 -49.4 -30.1 23.5 41.3 32.2 158 166 A E H 3> S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.846 104.5 48.0 -70.3 -38.0 23.7 38.1 30.0 159 167 A V H <> S+ 0 0 7 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.982 111.6 49.1 -63.2 -52.0 20.6 39.2 28.1 160 168 A A H X S+ 0 0 16 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.882 110.8 50.9 -56.9 -41.3 21.9 42.7 27.6 161 169 A S H X S+ 0 0 72 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.902 114.5 40.7 -61.0 -47.5 25.3 41.5 26.3 162 170 A T H X S+ 0 0 18 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.865 114.6 53.2 -75.3 -36.5 24.0 39.1 23.8 163 171 A F H X S+ 0 0 3 -4,-3.0 4,-3.3 -5,-0.3 5,-0.3 0.936 106.2 53.1 -65.5 -44.0 21.3 41.5 22.7 164 172 A K H X S+ 0 0 104 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.908 111.5 46.2 -59.9 -36.4 23.9 44.2 22.1 165 173 A V H X S+ 0 0 67 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.942 115.2 44.4 -68.7 -48.1 25.9 41.9 19.9 166 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.887 111.4 54.9 -68.4 -34.3 23.0 40.6 17.9 167 175 A R H X S+ 0 0 39 -4,-3.3 4,-2.7 -5,-0.3 5,-0.3 0.955 109.5 46.8 -61.8 -41.1 21.6 44.1 17.5 168 176 A N H X S+ 0 0 86 -4,-1.8 4,-1.8 -5,-0.3 5,-0.2 0.918 111.9 50.5 -68.0 -36.7 24.9 45.4 16.1 169 177 A V H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.899 111.7 50.1 -59.2 -41.3 25.0 42.4 13.7 170 178 A T H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.5 0.924 109.5 47.9 -70.0 -45.7 21.5 43.1 12.6 171 179 A V H X S+ 0 0 26 -4,-2.7 4,-1.7 -5,-0.2 5,-0.2 0.958 114.9 45.8 -61.9 -43.6 22.0 46.8 11.9 172 180 A V H X S+ 0 0 103 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.958 119.4 37.7 -67.1 -41.5 25.1 46.3 9.9 173 181 A L H >X S+ 0 0 28 -4,-2.3 3,-0.6 -5,-0.2 4,-0.6 0.956 117.0 48.2 -77.5 -42.2 23.8 43.4 7.8 174 182 A W H >< S+ 0 0 12 -4,-2.6 3,-1.3 -5,-0.2 -3,-0.2 0.874 105.4 60.1 -65.9 -36.3 20.3 44.5 7.2 175 183 A S H 3X S+ 0 0 42 -4,-1.7 4,-0.8 -5,-0.5 -1,-0.2 0.788 98.7 60.1 -61.1 -23.6 21.4 48.0 6.3 176 184 A A H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 111.6 51.6 -61.1 -29.5 18.9 48.2 0.4 179 187 A V H X S+ 0 0 77 -4,-0.8 4,-2.2 2,-0.2 5,-0.3 0.952 108.6 48.5 -69.2 -40.7 22.2 49.1 -1.0 180 188 A V H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 7,-0.2 0.945 113.8 48.4 -62.3 -40.8 22.7 45.8 -2.8 181 189 A W H < S+ 0 0 13 -4,-2.4 6,-0.5 1,-0.2 5,-0.2 0.934 110.5 51.5 -62.7 -42.3 19.2 46.1 -4.3 182 190 A L H < S+ 0 0 57 -4,-2.3 6,-3.0 -5,-0.2 -1,-0.2 0.888 118.0 35.7 -61.7 -39.2 19.8 49.7 -5.4 183 191 A I H < S+ 0 0 50 -4,-2.2 8,-2.3 4,-0.2 7,-1.6 0.684 111.8 74.1 -91.7 -20.0 23.0 48.9 -7.2 184 192 A G S ><>S- 0 0 0 -4,-2.0 5,-2.4 -5,-0.3 3,-1.3 0.091 104.5 -71.6 -87.4-164.1 22.0 45.5 -8.5 185 193 A S T 3 5S+ 0 0 20 1,-0.3 -4,-0.1 3,-0.2 8,-0.1 0.673 126.3 56.9 -71.4 -18.2 19.6 44.2 -11.2 186 194 A E T 3 5S+ 0 0 2 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.623 122.6 18.7 -77.2 -21.7 16.4 45.2 -9.3 187 195 A G T < 5S- 0 0 1 -3,-1.3 -4,-0.2 -6,-0.5 -5,-0.2 0.386 133.4 -12.7-118.2-116.1 17.5 48.8 -9.1 188 196 A A T 5S- 0 0 42 -6,-3.0 -5,-0.2 -7,-0.2 -3,-0.2 0.625 74.9-130.6 -77.9 -12.8 20.2 50.7 -11.2 189 197 A G < + 0 0 50 -5,-2.4 -5,-0.2 -7,-0.2 -4,-0.2 0.814 64.4 132.9 75.1 25.0 21.8 47.7 -12.8 190 198 A I + 0 0 125 -7,-1.6 -6,-0.2 -6,-0.2 -7,-0.1 0.748 67.8 47.5 -81.3 -33.1 25.4 48.8 -11.9 191 199 A V S S- 0 0 31 -8,-2.3 -6,-0.1 -11,-0.1 -1,-0.1 -0.941 95.0-114.4-108.9 133.3 26.3 45.4 -10.5 192 200 A P > - 0 0 77 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.175 27.2-109.7 -63.5 157.1 25.6 42.2 -12.5 193 201 A L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 115.8 57.8 -56.4 -35.4 23.1 39.6 -11.2 194 202 A N H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 110.6 42.6 -67.7 -38.7 25.8 37.1 -10.5 195 203 A I H > S+ 0 0 65 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 113.6 52.2 -72.8 -37.6 27.6 39.4 -8.2 196 204 A E H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.927 107.8 52.1 -56.8 -41.2 24.4 40.6 -6.6 197 205 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.891 109.1 50.6 -66.3 -38.7 23.4 37.0 -5.9 198 206 A L H X S+ 0 0 45 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.945 109.4 50.6 -60.4 -43.5 26.8 36.5 -4.3 199 207 A L H X S+ 0 0 65 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.951 111.7 46.6 -61.4 -45.0 26.3 39.5 -2.1 200 208 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.872 109.3 55.5 -69.2 -27.5 22.9 38.4 -1.0 201 209 A M H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.920 109.9 45.3 -65.8 -45.9 24.2 34.9 -0.3 202 210 A V H X S+ 0 0 77 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.954 116.1 46.4 -61.2 -46.0 26.9 36.2 2.0 203 211 A L H X S+ 0 0 22 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.961 113.9 48.1 -61.1 -45.0 24.5 38.5 3.8 204 212 A D H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 5,-0.5 0.918 112.0 47.0 -64.1 -45.4 21.8 35.9 4.2 205 213 A V H X>S+ 0 0 27 -4,-2.6 5,-2.8 -5,-0.2 4,-1.0 0.932 116.9 45.8 -63.9 -37.7 24.0 33.2 5.5 206 214 A S H <>S+ 0 0 43 -4,-2.0 5,-2.0 -5,-0.3 -2,-0.2 0.946 114.0 47.1 -67.3 -39.2 25.5 35.7 7.9 207 215 A A H <5S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.719 127.4 26.1 -77.8 -16.2 22.2 37.1 9.0 208 216 A K H X5S+ 0 0 4 -4,-1.6 4,-2.0 -5,-0.2 -3,-0.2 0.807 134.2 23.7-108.7 -64.2 20.7 33.7 9.5 209 217 A V H X5S+ 0 0 18 -4,-1.0 4,-2.5 -5,-0.5 5,-0.2 0.922 127.3 47.1 -77.8 -41.3 23.3 31.1 10.3 210 218 A G H >X S+ 0 0 62 -4,-2.4 4,-0.6 -5,-0.2 3,-0.6 0.950 117.7 42.6 -55.0 -47.6 25.8 33.7 18.1 215 223 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 6,-0.3 0.925 112.4 48.9 -66.4 -46.7 22.4 33.4 19.7 216 224 A L H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.406 107.2 58.0 -79.6 -0.7 22.2 29.6 20.3 217 225 A R H << S+ 0 0 169 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.653 92.2 88.4 -99.9 -18.6 25.6 29.6 21.9 218 226 A S S X< S- 0 0 24 -3,-1.1 3,-0.9 -4,-0.6 4,-0.1 -0.403 73.4-138.7 -81.6 148.4 24.7 32.1 24.6 219 227 A R G > S+ 0 0 168 1,-0.2 3,-1.9 -2,-0.1 -1,-0.1 0.577 90.2 91.6 -83.7 -3.4 23.2 31.4 28.0 220 228 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.2 -62,-0.2 -64,-0.1 0.766 76.2 63.2 -60.3 -24.3 21.0 34.4 27.4 221 229 A I G < S+ 0 0 2 -3,-0.9 2,-0.4 -6,-0.3 -1,-0.3 0.520 90.7 81.4 -81.3 -4.3 18.4 32.0 25.9 222 230 A F < 0 0 40 -3,-1.9 -3,-0.0 -188,-0.1 0, 0.0 -0.779 360.0 360.0-105.6 142.8 17.8 30.0 29.1 223 231 A G 0 0 75 -2,-0.4 -1,-0.1 0, 0.0 -191,-0.0 -0.013 360.0 360.0 -67.4 360.0 15.6 30.9 32.0