==== 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 12-MAR-04 1VJM . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP.; . AUTHOR K.EDMAN,A.ROYANT,G.LARSSON,F.JACOBSON,T.TAYLOR,D.VAN DER SPO . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 89.0 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 5 A T 0 0 104 0, 0.0 2,-1.6 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-163.4 19.4 35.4 -16.8 2 6 A G + 0 0 29 1,-0.2 60,-0.0 2,-0.1 196,-0.0 -0.516 360.0 64.3 -78.7 81.6 19.4 32.1 -14.9 3 7 A R S > S+ 0 0 154 -2,-1.6 3,-2.4 0, 0.0 4,-0.3 0.189 87.8 47.6-155.5 -71.2 22.8 30.5 -15.6 4 8 A P T > S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.895 112.0 55.0 -52.0 -41.8 26.1 32.0 -14.5 5 9 A E T >> S+ 0 0 2 -4,-0.5 4,-1.7 1,-0.2 3,-0.6 0.432 77.6 100.9 -73.1 1.7 24.7 32.6 -11.0 6 10 A W H <> S+ 0 0 117 -3,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 75.6 57.8 -56.2 -38.7 23.8 28.9 -10.7 7 11 A I H <> S+ 0 0 60 -3,-0.9 4,-2.4 -4,-0.3 -1,-0.2 0.870 106.6 46.8 -61.5 -38.0 26.9 28.3 -8.5 8 12 A W H <> S+ 0 0 63 -3,-0.6 4,-2.2 -4,-0.2 -1,-0.2 0.838 113.0 50.0 -72.2 -33.4 25.9 30.9 -5.9 9 13 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.864 112.4 47.3 -70.8 -37.5 22.4 29.5 -5.8 10 14 A A H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 113.9 46.9 -69.9 -43.9 23.7 26.0 -5.4 11 15 A L H X S+ 0 0 69 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.891 112.7 50.2 -64.3 -40.1 26.1 27.1 -2.7 12 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.943 110.5 49.5 -62.8 -46.6 23.3 29.0 -1.0 13 17 A T H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.950 114.1 45.7 -56.7 -50.3 21.0 26.0 -1.1 14 18 A A H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 113.8 47.7 -61.2 -45.8 23.7 23.7 0.4 15 19 A L H X S+ 0 0 63 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.874 113.2 47.4 -66.1 -37.9 24.7 26.2 3.1 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.904 113.6 48.8 -69.2 -39.9 21.1 26.8 4.2 17 21 A G H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.914 112.7 46.8 -64.7 -43.4 20.4 23.1 4.2 18 22 A L H X S+ 0 0 110 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.902 112.3 50.9 -65.2 -41.8 23.5 22.3 6.3 19 23 A G H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.919 109.2 50.7 -62.1 -43.8 22.7 25.1 8.7 20 24 A T H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.930 112.1 46.9 -59.5 -47.0 19.1 23.9 9.1 21 25 A L H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.913 111.0 51.7 -63.2 -42.9 20.4 20.3 9.9 22 26 A Y H X S+ 0 0 112 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.948 113.1 44.3 -59.7 -48.2 23.0 21.6 12.3 23 27 A F H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.883 112.4 53.9 -63.7 -38.4 20.4 23.6 14.2 24 28 A L H X S+ 0 0 93 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.954 114.5 39.0 -59.1 -53.7 18.0 20.7 14.1 25 29 A V H >X S+ 0 0 99 -4,-2.7 3,-1.5 1,-0.2 4,-0.5 0.924 114.5 53.9 -64.1 -45.6 20.4 18.2 15.6 26 30 A K H >< S+ 0 0 59 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.864 104.8 56.2 -58.1 -36.2 21.9 20.8 18.1 27 31 A G H >< S+ 0 0 19 -4,-2.2 3,-1.2 1,-0.2 -1,-0.3 0.634 86.8 79.1 -72.4 -13.7 18.3 21.5 19.3 28 32 A M H << S+ 0 0 156 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.858 86.3 60.1 -62.5 -34.7 17.8 17.9 20.2 29 33 A G T << S+ 0 0 77 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.3 -0.019 92.6 92.0 -84.6 34.0 19.8 18.3 23.4 30 34 A V < + 0 0 31 -3,-1.2 -3,-0.0 -2,-0.2 0, 0.0 -0.993 29.4 153.8-133.5 134.5 17.4 21.0 24.6 31 35 A S + 0 0 99 -2,-0.4 -1,-0.1 0, 0.0 5,-0.1 0.464 40.8 117.5-129.1 -15.4 14.3 20.7 26.8 32 36 A D > - 0 0 47 1,-0.1 4,-2.8 2,-0.1 5,-0.1 -0.408 63.9-134.7 -62.0 125.4 14.2 24.2 28.4 33 37 A P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.912 102.8 39.2 -44.4 -63.6 10.9 26.0 27.3 34 38 A D H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.886 115.5 53.0 -59.6 -40.5 12.5 29.4 26.5 35 39 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 104.9 58.5 -61.3 -37.7 15.5 27.7 24.9 36 40 A K H X S+ 0 0 120 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.930 101.6 53.1 -55.3 -52.2 13.0 25.7 22.8 37 41 A K H X S+ 0 0 103 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.899 107.9 49.9 -52.2 -48.2 11.4 28.9 21.3 38 42 A F H X S+ 0 0 9 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.887 112.5 47.2 -60.9 -40.5 14.8 30.2 20.1 39 43 A Y H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.919 112.3 49.8 -67.4 -42.8 15.7 26.9 18.5 40 44 A A H X S+ 0 0 65 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.945 116.7 41.0 -60.3 -49.9 12.3 26.6 16.8 41 45 A I H X S+ 0 0 17 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.956 117.7 46.5 -62.2 -52.9 12.5 30.2 15.4 42 46 A T H < S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.773 112.4 49.1 -64.2 -30.8 16.2 30.0 14.5 43 47 A T H X S+ 0 0 15 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.828 106.2 57.1 -79.5 -31.5 15.9 26.6 12.7 44 48 A L H X S+ 0 0 82 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.841 97.1 65.7 -66.9 -33.2 12.9 27.6 10.7 45 49 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.948 108.3 33.9 -56.8 -56.9 14.8 30.6 9.2 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.783 113.9 61.8 -73.0 -22.1 17.4 28.6 7.2 47 51 A A H X S+ 0 0 29 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.938 109.0 41.5 -65.3 -45.7 14.9 25.9 6.5 48 52 A I H X S+ 0 0 33 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.946 114.2 51.5 -65.2 -48.6 12.7 28.4 4.6 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.877 105.5 57.9 -55.8 -40.0 15.7 30.0 2.9 50 54 A F H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 106.6 47.2 -56.4 -48.3 16.8 26.5 1.8 51 55 A T H X S+ 0 0 66 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.890 115.0 45.2 -63.5 -38.9 13.5 25.9 0.0 52 56 A M H X S+ 0 0 39 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.868 111.1 51.7 -74.7 -36.1 13.6 29.3 -1.7 53 57 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -40,-0.2 0.908 111.7 48.8 -65.0 -39.4 17.2 29.0 -2.7 54 58 A L H X S+ 0 0 58 -4,-2.2 4,-2.4 -5,-0.3 6,-0.2 0.897 107.7 54.6 -66.0 -38.8 16.4 25.6 -4.2 55 59 A S H <>S+ 0 0 16 -4,-1.9 6,-1.6 1,-0.2 5,-1.4 0.888 111.6 44.9 -61.6 -38.5 13.4 27.1 -6.0 56 60 A M H ><5S+ 0 0 3 -4,-2.0 3,-1.2 4,-0.2 -2,-0.2 0.924 110.7 53.2 -70.4 -43.7 15.7 29.7 -7.6 57 61 A L H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.0 45.7 -57.5 -40.5 18.4 27.1 -8.4 58 62 A L T 3<5S- 0 0 132 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.492 118.2-112.9 -83.0 -4.8 15.8 25.0 -10.3 59 63 A G T X 5S+ 0 0 39 -3,-1.2 3,-1.0 -4,-0.3 -3,-0.2 0.338 88.5 109.9 92.2 -7.3 14.4 28.0 -12.0 60 64 A Y T 3 +A 70 0A 12 3,-2.3 3,-1.5 -2,-0.4 59,-0.1 -0.881 57.9 35.7-177.5 149.6 11.2 47.6 -17.8 68 72 A G T 3 S- 0 0 50 57,-0.4 3,-0.1 1,-0.3 58,-0.1 0.771 130.1 -69.8 68.4 21.9 13.8 50.0 -19.3 69 73 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.698 116.3 102.6 67.0 19.6 12.5 48.6 -22.5 70 74 A E E < S-A 67 0A 127 -3,-1.5 -3,-2.3 -5,-0.1 2,-0.8 -0.851 78.6-114.5-131.1 165.6 14.2 45.3 -21.7 71 75 A Q E -A 66 0A 119 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.885 41.0-165.9-100.5 104.8 13.2 41.8 -20.4 72 76 A N E -A 65 0A 23 -7,-2.7 -7,-3.1 -2,-0.8 2,-0.3 -0.826 19.4-126.8-102.9 128.3 14.9 41.6 -17.0 73 77 A P E -A 64 0A 19 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.532 31.7-175.8 -70.3 125.0 15.4 38.4 -15.0 74 78 A I E -A 63 0A 0 -11,-3.8 -11,-2.1 -2,-0.3 2,-1.2 -0.978 23.0-145.3-129.2 119.3 14.0 38.8 -11.5 75 79 A Y E > +A 62 0A 4 -2,-0.4 3,-0.7 -13,-0.2 4,-0.3 -0.702 23.1 174.1 -83.3 97.5 14.2 36.2 -8.7 76 80 A W T >> + 0 0 80 -2,-1.2 3,-1.1 -15,-0.8 4,-1.0 0.710 64.1 80.6 -77.1 -20.8 11.0 36.8 -6.9 77 81 A A H 3> S+ 0 0 0 -16,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.782 79.3 70.4 -57.8 -27.0 11.5 33.8 -4.6 78 82 A R H <> S+ 0 0 2 -3,-0.7 4,-3.1 -17,-0.3 -1,-0.3 0.908 97.5 49.3 -55.9 -44.3 13.7 35.9 -2.5 79 83 A Y H <> S+ 0 0 7 -3,-1.1 4,-2.5 -4,-0.3 -1,-0.2 0.838 107.0 53.7 -66.7 -33.9 10.8 38.0 -1.3 80 84 A A H X S+ 0 0 29 -4,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.901 113.4 45.8 -65.4 -39.2 8.8 34.9 -0.4 81 85 A D H >X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 3,-1.4 0.995 116.0 43.1 -62.4 -64.6 11.8 33.8 1.7 82 86 A W H 3X S+ 0 0 16 -4,-3.1 4,-2.0 1,-0.3 -2,-0.2 0.784 101.1 69.9 -54.8 -34.4 12.3 37.2 3.3 83 87 A L H 3< S+ 0 0 75 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.873 117.2 22.9 -52.7 -39.0 8.6 37.7 4.0 84 88 A F H S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.857 111.1 55.2 -70.6 -28.7 10.2 38.8 10.9 88 92 A L H X S+ 0 0 29 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.895 107.8 48.9 -65.6 -40.1 11.3 35.5 12.5 89 93 A L H X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.896 111.0 50.2 -66.0 -38.9 14.8 37.0 12.9 90 94 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.846 106.9 55.5 -66.2 -34.0 13.2 40.1 14.5 91 95 A L H X S+ 0 0 53 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.870 103.2 54.9 -66.8 -37.0 11.2 37.7 16.8 92 96 A D H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.952 112.4 43.3 -59.4 -49.5 14.5 36.2 18.0 93 97 A L H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.919 114.9 49.1 -62.1 -45.3 15.7 39.6 18.9 94 98 A A H <>S+ 0 0 1 -4,-2.8 5,-2.7 1,-0.2 4,-0.3 0.892 111.3 48.4 -62.5 -43.0 12.4 40.6 20.5 95 99 A L H ><5S+ 0 0 44 -4,-3.0 3,-0.9 3,-0.2 -1,-0.2 0.881 107.0 58.5 -64.7 -38.0 12.1 37.5 22.6 96 100 A L H 3<5S+ 0 0 12 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.916 114.6 34.7 -58.1 -46.1 15.7 38.0 23.7 97 101 A V T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.331 110.2-120.7 -92.7 7.5 14.9 41.4 25.2 98 102 A D T < 5 - 0 0 119 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.908 41.8-167.5 54.0 47.2 11.4 40.4 26.3 99 103 A A < - 0 0 13 -5,-2.7 -1,-0.1 -6,-0.1 2,-0.1 -0.232 21.4-106.2 -63.3 153.3 9.8 43.1 24.2 100 104 A D >> - 0 0 95 1,-0.1 4,-1.8 4,-0.0 3,-0.6 -0.435 30.3-105.9 -79.3 158.1 6.2 43.9 24.7 101 105 A Q H 3> S+ 0 0 170 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 116.7 60.7 -50.5 -42.4 3.5 42.8 22.2 102 106 A G H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 107.0 43.3 -54.5 -47.5 3.1 46.3 20.9 103 107 A T H <> S+ 0 0 29 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.868 111.7 54.6 -68.3 -36.9 6.7 46.7 19.8 104 108 A I H X S+ 0 0 42 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.934 109.4 47.3 -62.3 -45.5 6.7 43.2 18.3 105 109 A L H X S+ 0 0 131 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.906 111.1 52.0 -62.4 -41.8 3.7 44.0 16.2 106 110 A A H X S+ 0 0 26 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.920 113.2 44.4 -60.8 -44.5 5.3 47.3 15.1 107 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 115.5 46.1 -65.9 -47.9 8.4 45.5 14.0 108 112 A V H X S+ 0 0 64 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.886 114.8 48.9 -62.9 -39.8 6.6 42.7 12.2 109 113 A G H X S+ 0 0 36 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.921 112.1 46.3 -66.6 -45.6 4.3 45.2 10.5 110 114 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.874 112.7 52.2 -64.0 -36.9 7.2 47.4 9.4 111 115 A D H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.924 106.6 52.4 -65.3 -44.6 9.0 44.3 8.2 112 116 A G H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.896 111.4 47.1 -58.5 -40.6 6.0 43.2 6.2 113 117 A I H X S+ 0 0 94 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.924 109.6 54.3 -67.5 -41.9 5.9 46.6 4.5 114 118 A M H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.929 116.3 36.3 -56.8 -49.4 9.6 46.5 3.8 115 119 A I H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.909 116.8 52.7 -72.9 -42.1 9.4 43.2 2.0 116 120 A G H X S+ 0 0 32 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.926 112.9 43.1 -59.3 -47.3 6.1 43.8 0.4 117 121 A T H X S+ 0 0 17 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.826 111.1 56.4 -69.7 -29.1 7.1 47.1 -1.1 118 122 A G H X S+ 0 0 8 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.917 108.8 47.1 -66.7 -40.5 10.5 45.6 -2.1 119 123 A L H X S+ 0 0 60 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.907 110.7 50.9 -65.7 -44.2 8.6 42.9 -4.1 120 124 A V H X S+ 0 0 64 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.927 112.5 47.7 -59.9 -43.8 6.3 45.5 -5.7 121 125 A G H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.902 108.4 54.4 -63.6 -40.6 9.4 47.5 -6.7 122 126 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 116.0 38.6 -64.2 -26.8 11.1 44.3 -8.0 123 127 A L H 3< S+ 0 0 71 -4,-1.5 2,-0.2 -3,-0.3 -1,-0.2 0.335 86.0 122.5-107.1 6.1 8.1 43.6 -10.3 124 128 A T << - 0 0 20 -3,-0.9 6,-0.1 -4,-0.5 -59,-0.0 -0.510 49.5-155.0 -73.8 133.6 7.3 47.2 -11.4 125 129 A K S S+ 0 0 149 -2,-0.2 2,-0.8 1,-0.1 -57,-0.4 0.601 75.7 78.2 -85.0 -12.6 7.3 47.7 -15.2 126 130 A V S >> S- 0 0 65 1,-0.2 4,-1.2 -59,-0.1 3,-0.8 -0.877 73.8-148.7-101.3 108.4 8.1 51.5 -15.0 127 131 A Y H >> S+ 0 0 95 -2,-0.8 3,-0.9 1,-0.3 4,-0.7 0.848 93.2 48.0 -40.4 -59.6 11.8 52.0 -14.3 128 132 A S H >> S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.845 107.6 57.9 -56.8 -35.5 11.6 55.2 -12.3 129 133 A Y H X> S+ 0 0 135 -3,-0.8 4,-1.8 1,-0.2 3,-1.1 0.818 91.1 70.4 -65.7 -31.3 8.8 53.9 -10.2 130 134 A R H X S+ 0 0 136 -4,-2.2 4,-3.1 -5,-0.2 3,-1.4 0.955 108.2 47.5 -62.7 -52.5 15.4 52.7 14.9 147 151 A V H 3X S+ 0 0 10 -4,-2.5 4,-1.7 1,-0.3 5,-0.4 0.869 106.6 58.9 -57.4 -38.9 13.3 50.5 17.1 148 152 A L H 3<>S+ 0 0 0 -4,-2.1 5,-1.1 -5,-0.2 -1,-0.3 0.704 118.1 31.1 -64.8 -19.6 16.2 48.1 17.6 149 153 A F H <<5S+ 0 0 70 -3,-1.4 5,-0.3 -4,-0.7 -2,-0.2 0.740 131.6 28.6-108.2 -33.2 18.3 50.9 19.1 150 154 A F H <5S+ 0 0 146 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.303 131.7 32.2-113.4 7.5 15.8 53.2 20.8 151 155 A G T <5S+ 0 0 30 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.332 130.8 25.7-140.5 -0.8 13.1 50.8 21.7 152 156 A F T >>5S+ 0 0 1 -5,-0.4 4,-2.2 -53,-0.1 3,-1.7 0.607 112.0 54.2-127.3 -64.8 15.1 47.6 22.4 153 157 A T H 3>< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.3 8,-0.3 0.840 99.7 55.3 -56.0 -33.7 18.2 44.9 27.1 157 161 A E T 3< S+ 0 0 129 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.788 100.1 58.8 -69.7 -28.3 20.3 46.8 29.6 158 162 A S T < S+ 0 0 105 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.378 105.7 66.2 -81.2 4.4 17.4 46.5 32.1 159 163 A M S < S- 0 0 41 -3,-1.3 -62,-0.1 1,-0.2 -3,-0.0 -0.396 107.0 -48.0-111.7-170.4 17.8 42.7 31.7 160 164 A R >> - 0 0 76 -2,-0.1 4,-2.5 1,-0.1 3,-0.6 -0.326 50.6-123.9 -61.5 141.6 20.4 40.1 32.5 161 165 A P H 3> S+ 0 0 111 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.751 112.0 57.5 -59.7 -24.0 23.9 41.2 31.4 162 166 A E H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 62,-0.2 0.880 109.5 44.1 -73.2 -38.3 24.2 37.9 29.4 163 167 A V H <> S+ 0 0 5 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.904 111.9 53.4 -71.0 -43.0 21.1 38.8 27.4 164 168 A A H X S+ 0 0 20 -4,-2.5 4,-2.5 -8,-0.3 -2,-0.2 0.915 110.9 45.2 -59.0 -46.6 22.2 42.4 27.0 165 169 A S H X S+ 0 0 70 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 114.9 46.8 -68.3 -37.3 25.6 41.4 25.5 166 170 A T H X S+ 0 0 15 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.875 113.9 48.8 -72.0 -37.6 24.2 38.8 23.2 167 171 A F H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.932 108.6 54.0 -66.2 -44.5 21.4 41.1 22.0 168 172 A K H X S+ 0 0 84 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.895 111.7 44.4 -56.9 -43.1 24.0 43.9 21.4 169 173 A V H X S+ 0 0 56 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.938 116.8 43.9 -68.9 -47.1 26.1 41.6 19.2 170 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.860 113.3 53.8 -65.3 -35.1 23.1 40.2 17.2 171 175 A R H X S+ 0 0 23 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.932 110.9 44.9 -63.0 -47.8 21.7 43.7 17.0 172 176 A N H X S+ 0 0 69 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.889 113.0 51.1 -64.1 -40.7 24.9 45.0 15.5 173 177 A V H X S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.915 111.9 48.0 -62.6 -43.4 25.1 42.1 13.2 174 178 A T H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.952 110.8 49.2 -63.6 -51.0 21.6 42.7 12.0 175 179 A V H X S+ 0 0 28 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.911 114.7 44.8 -56.4 -45.6 22.0 46.4 11.4 176 180 A V H X S+ 0 0 103 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.941 119.6 39.2 -65.8 -49.2 25.2 45.9 9.4 177 181 A L H >X S+ 0 0 29 -4,-2.4 3,-1.0 -5,-0.2 4,-0.7 0.937 115.8 49.2 -68.4 -48.1 23.9 43.0 7.2 178 182 A W H >< S+ 0 0 13 -4,-2.9 3,-1.0 -5,-0.3 -1,-0.2 0.883 105.1 58.9 -60.2 -39.8 20.4 44.3 6.7 179 183 A S H 3X S+ 0 0 44 -4,-1.6 4,-0.6 -5,-0.4 -1,-0.3 0.732 98.8 60.8 -63.4 -22.1 21.6 47.7 5.6 180 184 A A H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.847 111.6 52.8 -62.1 -29.7 19.0 47.9 -0.2 183 187 A V H X S+ 0 0 80 -4,-0.6 4,-2.2 -3,-0.2 5,-0.2 0.941 109.5 46.7 -70.0 -45.0 22.4 48.8 -1.6 184 188 A V H X S+ 0 0 11 -4,-2.3 4,-1.9 1,-0.2 7,-0.2 0.904 114.0 49.3 -61.8 -40.4 22.8 45.5 -3.4 185 189 A W H < S+ 0 0 14 -4,-2.4 6,-0.6 -5,-0.2 8,-0.3 0.920 110.5 50.6 -63.6 -45.6 19.2 45.9 -4.8 186 190 A L H < S+ 0 0 58 -4,-2.3 6,-2.9 1,-0.2 7,-0.2 0.878 119.2 35.6 -62.3 -39.4 19.9 49.5 -5.9 187 191 A I H < S+ 0 0 50 -4,-2.2 8,-2.8 4,-0.2 7,-1.5 0.648 111.9 72.0 -90.8 -15.8 23.1 48.6 -7.8 188 192 A G S ><>S- 0 0 0 -4,-1.9 5,-2.2 -5,-0.2 3,-1.1 0.029 105.4 -68.0 -88.0-163.8 22.0 45.2 -9.0 189 193 A S T 3 5S+ 0 0 20 1,-0.3 -4,-0.1 4,-0.2 8,-0.1 0.716 128.5 54.9 -59.2 -27.7 19.6 43.8 -11.6 190 194 A E T 3 5S+ 0 0 2 -6,-0.2 -1,-0.3 -5,-0.2 -4,-0.1 0.732 120.2 26.6 -79.4 -22.4 16.5 45.0 -9.8 191 195 A G T < 5S- 0 0 3 -3,-1.1 -4,-0.2 -6,-0.6 -5,-0.2 0.385 130.7 -25.1-107.4-121.8 17.8 48.6 -9.6 192 196 A A T 5S- 0 0 46 -6,-2.9 -5,-0.2 -7,-0.1 -3,-0.1 0.543 76.2-130.4 -76.7 -7.7 20.1 50.6 -11.8 193 197 A G < + 0 0 47 -5,-2.2 -5,-0.2 -8,-0.3 -4,-0.2 0.855 61.8 137.9 61.6 40.0 21.9 47.5 -13.1 194 198 A I + 0 0 133 -7,-1.5 -6,-0.2 -6,-0.2 -7,-0.1 0.770 70.0 49.9 -82.3 -28.3 25.5 48.6 -12.4 195 199 A V S S- 0 0 28 -8,-2.8 -1,-0.1 -11,-0.1 -2,-0.1 -0.922 95.3-116.4-111.4 133.7 26.3 45.1 -11.1 196 200 A P >> - 0 0 78 0, 0.0 4,-2.8 0, 0.0 3,-0.6 -0.300 25.6-109.5 -70.0 155.4 25.3 42.0 -13.1 197 201 A L H 3> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.829 117.6 61.0 -49.9 -37.9 22.8 39.4 -11.8 198 202 A N H 3> S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 111.6 36.7 -56.5 -50.3 25.7 37.0 -11.3 199 203 A I H <> S+ 0 0 64 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.864 114.3 56.8 -72.7 -36.9 27.5 39.3 -8.9 200 204 A E H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.928 107.5 48.9 -59.7 -43.8 24.2 40.4 -7.3 201 205 A T H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.911 109.6 52.2 -62.6 -42.3 23.3 36.8 -6.6 202 206 A L H X S+ 0 0 46 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.937 109.8 49.3 -58.2 -47.8 26.7 36.2 -5.0 203 207 A L H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 111.3 47.5 -58.8 -48.7 26.2 39.2 -2.7 204 208 A F H X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.858 110.0 54.8 -63.1 -34.4 22.8 38.2 -1.5 205 209 A M H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.934 109.5 45.5 -65.6 -45.2 24.0 34.7 -0.9 206 210 A V H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.941 116.9 45.9 -62.3 -46.1 26.8 35.9 1.4 207 211 A L H X S+ 0 0 19 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.944 113.5 48.7 -61.3 -49.8 24.4 38.3 3.1 208 212 A D H X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.2 5,-0.4 0.928 111.8 47.0 -57.9 -50.9 21.7 35.7 3.5 209 213 A V H X>S+ 0 0 25 -4,-2.5 5,-2.3 -5,-0.2 4,-1.5 0.913 116.5 45.7 -59.9 -41.1 24.0 32.9 4.9 210 214 A S H <>S+ 0 0 47 -4,-2.0 5,-1.7 -5,-0.3 -2,-0.2 0.925 114.5 46.8 -67.4 -44.3 25.5 35.4 7.4 211 215 A A H <5S+ 0 0 3 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.695 128.3 25.7 -71.9 -19.5 22.2 36.9 8.4 212 216 A K H X5S+ 0 0 4 -4,-1.7 4,-2.0 -5,-0.2 -3,-0.2 0.824 134.1 24.3-107.6 -62.5 20.6 33.5 8.9 213 217 A V H X5S+ 0 0 20 -4,-1.5 4,-2.6 -5,-0.4 -3,-0.2 0.932 128.2 45.0 -73.1 -47.4 23.2 30.8 9.6 214 218 A G H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 6,-0.3 0.946 114.6 46.2 -65.8 -51.9 22.4 33.1 19.2 220 224 A L H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.583 109.9 55.0 -71.3 -10.4 22.2 29.3 19.7 221 225 A R T 3< S+ 0 0 186 -4,-0.9 -1,-0.3 -3,-0.3 2,-0.2 0.467 93.7 96.2 -97.6 -4.6 25.7 29.1 21.2 222 226 A S S X S- 0 0 23 -3,-1.3 3,-0.7 -4,-0.3 -59,-0.0 -0.543 71.6-141.9 -88.4 150.8 24.8 31.8 23.8 223 227 A R G > S+ 0 0 61 1,-0.2 3,-1.6 -2,-0.2 5,-0.1 0.537 90.6 87.2 -84.5 -7.3 23.7 31.1 27.3 224 228 A A G 3 S+ 0 0 3 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.742 75.3 66.7 -64.1 -23.4 21.3 34.0 26.9 225 229 A I G < S+ 0 0 1 -3,-0.7 2,-0.3 -6,-0.3 -1,-0.3 0.583 93.2 72.2 -76.0 -8.8 18.7 31.7 25.4 226 230 A F S < S- 0 0 78 -3,-1.6 -3,-0.0 -192,-0.1 0, 0.0 -0.808 75.2-140.5-106.5 149.3 18.3 29.9 28.8 227 231 A G 0 0 46 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.515 360.0 360.0 -84.8 -4.3 16.6 31.4 31.9 228 232 A E 0 0 131 -5,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.052 360.0 360.0 61.3 360.0 19.2 30.0 34.3