==== 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 07-MAY-03 1P8H . 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) . 10228.0 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.6 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 . 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 0 1 1 1 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 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 0 107 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-157.8 23.7 25.4 -15.1 2 6 A G + 0 0 79 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.639 360.0 76.9 -66.0 -19.1 23.1 28.1 -17.7 3 7 A R S > S- 0 0 57 1,-0.2 3,-2.4 191,-0.0 4,-0.3 -0.830 73.7-146.0-100.5 128.3 22.9 30.9 -15.2 4 8 A P T > S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.888 98.6 61.0 -61.4 -34.7 26.3 32.1 -13.9 5 9 A E T >> S+ 0 0 11 1,-0.2 4,-1.6 2,-0.1 3,-1.0 0.615 76.1 98.7 -68.6 -3.3 24.8 32.8 -10.5 6 10 A W H <> S+ 0 0 102 -3,-2.4 4,-2.8 1,-0.3 5,-0.3 0.888 74.6 59.9 -50.6 -43.3 23.9 29.1 -10.2 7 11 A I H <> S+ 0 0 67 -3,-0.9 4,-2.7 -4,-0.3 -1,-0.3 0.909 106.3 45.1 -58.5 -34.1 26.9 28.4 -8.1 8 12 A W H <> S+ 0 0 72 -3,-1.0 4,-1.9 -4,-0.3 -1,-0.2 0.898 111.0 52.4 -79.1 -30.2 26.0 30.9 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 48,-0.3 0.829 113.2 46.9 -64.7 -38.4 22.4 29.7 -5.3 10 14 A A H X S+ 0 0 26 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.938 112.2 48.1 -69.7 -48.9 23.8 26.1 -4.9 11 15 A L H X S+ 0 0 66 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.895 113.0 49.4 -56.2 -36.3 26.3 27.1 -2.1 12 16 A G H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.938 109.1 51.0 -71.5 -39.6 23.5 29.0 -0.3 13 17 A T H X S+ 0 0 12 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.956 113.9 46.5 -51.1 -56.2 21.2 26.1 -0.5 14 18 A A H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.944 114.3 45.1 -56.2 -49.3 23.9 23.9 0.9 15 19 A L H X S+ 0 0 69 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.937 113.9 48.2 -72.1 -31.2 24.9 26.2 3.7 16 20 A M H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 34,-0.2 0.928 110.7 55.0 -70.8 -33.1 21.3 26.9 4.7 17 21 A G H X S+ 0 0 11 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.893 110.2 42.5 -61.5 -45.9 20.7 23.2 4.6 18 22 A L H X S+ 0 0 117 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.764 109.5 57.7 -78.5 -24.0 23.5 22.2 7.0 19 23 A G H X S+ 0 0 7 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.912 106.3 49.5 -72.3 -34.7 22.8 25.1 9.4 20 24 A T H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.964 113.1 46.2 -63.0 -49.7 19.2 23.9 9.9 21 25 A L H X S+ 0 0 105 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.869 112.3 51.8 -59.5 -41.7 20.5 20.3 10.6 22 26 A Y H X S+ 0 0 99 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.933 114.7 41.1 -63.1 -41.9 23.1 21.7 12.9 23 27 A F H X S+ 0 0 1 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.847 113.3 55.4 -77.1 -26.4 20.6 23.7 14.9 24 28 A L H >X S+ 0 0 92 -4,-2.6 3,-1.0 2,-0.2 4,-0.5 0.994 110.6 43.4 -64.5 -62.1 18.1 20.8 14.7 25 29 A V H >< S+ 0 0 89 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.868 111.8 55.2 -46.3 -43.8 20.5 18.4 16.3 26 30 A K H 3< S+ 0 0 65 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.3 0.866 101.0 57.1 -67.0 -29.7 21.6 20.9 18.8 27 31 A G H X< S+ 0 0 24 -4,-1.5 2,-0.6 -3,-1.0 3,-0.5 0.574 80.8 116.5 -76.1 -6.1 18.1 21.5 20.0 28 32 A M T << S+ 0 0 150 -3,-1.5 3,-0.1 -4,-0.5 -3,-0.0 -0.496 82.6 14.7 -63.6 109.4 18.0 17.7 20.7 29 33 A G T 3 S+ 0 0 69 -2,-0.6 -1,-0.2 1,-0.4 -2,-0.1 -0.255 87.8 135.9 122.6 -45.6 17.5 17.4 24.5 30 34 A V < + 0 0 41 -3,-0.5 -1,-0.4 -4,-0.3 -3,-0.0 -0.012 13.5 158.9 -41.0 128.6 16.4 21.0 25.2 31 35 A S + 0 0 86 -3,-0.1 -1,-0.2 0, 0.0 3,-0.0 0.364 35.3 114.9-133.2 -12.3 13.5 21.1 27.6 32 36 A D > - 0 0 43 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.524 65.7-139.0 -62.3 121.9 13.8 24.6 28.9 33 37 A P H > S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.928 99.2 42.4 -49.7 -57.3 10.7 26.3 27.6 34 38 A D H >> S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 3,-1.8 0.914 113.2 52.1 -62.1 -42.9 12.3 29.6 26.7 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 104.4 59.9 -55.9 -39.2 15.3 27.8 25.2 36 40 A K H 3X S+ 0 0 112 -4,-2.6 4,-0.8 1,-0.2 -1,-0.3 0.626 103.7 51.8 -57.9 -22.8 12.7 25.9 23.3 37 41 A K H S+ 0 0 0 0, 0.0 4,-4.0 0, 0.0 -1,-0.2 0.821 116.2 64.1 -80.0 -20.0 17.5 28.7 7.4 47 51 A A H X S+ 0 0 29 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.981 111.7 35.5 -55.4 -56.1 15.0 25.9 7.2 48 52 A I H X S+ 0 0 42 -4,-3.4 4,-2.5 1,-0.2 5,-0.3 0.941 118.5 51.1 -63.5 -43.2 12.8 28.4 5.3 49 53 A A H X S+ 0 0 0 -4,-3.0 4,-4.4 -5,-0.3 5,-0.3 0.938 105.3 58.4 -59.0 -40.5 15.8 30.0 3.7 50 54 A F H X S+ 0 0 78 -4,-4.0 4,-3.0 -34,-0.2 5,-0.2 0.945 109.1 43.3 -48.5 -56.6 16.9 26.5 2.6 51 55 A T H X S+ 0 0 63 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.904 117.1 45.7 -63.6 -39.6 13.6 25.9 0.7 52 56 A M H X S+ 0 0 39 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.940 112.6 50.3 -73.8 -39.0 13.6 29.3 -0.8 53 57 A Y H X S+ 0 0 0 -4,-4.4 4,-2.8 -5,-0.3 5,-0.2 0.944 112.4 48.5 -58.5 -43.0 17.3 29.1 -1.8 54 58 A L H X S+ 0 0 57 -4,-3.0 4,-2.9 -5,-0.3 6,-0.3 0.950 106.7 55.4 -65.4 -36.4 16.5 25.8 -3.4 55 59 A S H <>S+ 0 0 16 -4,-2.5 6,-2.5 -5,-0.2 5,-0.6 0.894 110.1 47.5 -65.6 -25.5 13.6 27.2 -5.2 56 60 A M H ><5S+ 0 0 2 -4,-1.7 3,-1.3 4,-0.2 -2,-0.2 0.956 110.9 49.9 -75.0 -49.3 15.9 29.8 -6.7 57 61 A L H 3<5S+ 0 0 35 -4,-2.8 -2,-0.2 -48,-0.3 -3,-0.2 0.953 112.3 48.4 -47.8 -52.4 18.5 27.2 -7.6 58 62 A L T 3<5S- 0 0 124 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.551 117.1-113.1 -75.3 -1.6 15.9 25.1 -9.4 59 63 A G T X 5S+ 0 0 28 -3,-1.3 3,-1.0 -4,-0.3 -3,-0.2 0.237 89.0 106.7 100.6 -17.7 14.5 28.0 -11.3 60 64 A Y T 3 +A 70 0A 18 3,-3.0 3,-1.7 -2,-0.3 59,-0.1 -0.895 54.9 37.1 176.0 158.1 11.8 47.6 -17.9 68 72 A G T 3 S- 0 0 65 1,-0.3 3,-0.1 -2,-0.3 58,-0.0 0.812 129.9 -63.4 57.2 29.5 14.6 49.9 -19.1 69 73 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.719 120.2 94.2 68.0 22.5 14.0 48.3 -22.5 70 74 A E E < S-A 67 0A 137 -3,-1.7 -3,-3.0 -5,-0.1 2,-0.7 -0.911 77.3-118.3-137.5 165.3 15.1 44.9 -21.1 71 75 A Q E -A 66 0A 103 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.935 37.6-156.8-105.1 110.1 13.7 41.7 -19.5 72 76 A N E -A 65 0A 25 -7,-3.3 -7,-2.0 -2,-0.7 2,-0.7 -0.732 13.6-132.2 -97.1 130.2 15.2 41.5 -16.0 73 77 A P E -A 64 0A 37 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.689 30.0-175.1 -79.4 116.3 15.5 38.3 -14.0 74 78 A I E -A 63 0A 0 -11,-3.0 -11,-2.3 -2,-0.7 2,-1.3 -0.960 22.1-143.1-116.4 121.9 14.1 39.0 -10.6 75 79 A Y > + 0 0 1 -2,-0.5 3,-0.9 -13,-0.2 4,-0.3 -0.657 23.3 173.7 -85.9 94.8 14.3 36.4 -7.8 76 80 A W T >> + 0 0 80 -2,-1.3 3,-1.5 -15,-0.3 4,-1.3 0.776 65.8 80.3 -71.6 -24.7 11.0 36.9 -6.0 77 81 A A H 3> S+ 0 0 0 -16,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.836 79.5 68.9 -56.5 -25.8 11.6 33.9 -3.7 78 82 A R H <> S+ 0 0 6 -3,-0.9 4,-2.7 -17,-0.3 -1,-0.3 0.924 99.8 48.5 -54.7 -40.6 13.8 36.1 -1.5 79 83 A Y H <> S+ 0 0 5 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.824 106.8 54.3 -72.8 -33.2 10.7 38.0 -0.4 80 84 A A H X S+ 0 0 23 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.864 113.8 46.3 -61.4 -35.5 8.8 34.8 0.4 81 85 A D H >X S+ 0 0 2 -4,-2.0 4,-3.3 2,-0.2 3,-1.1 0.996 116.3 39.6 -63.0 -65.7 11.9 34.0 2.5 82 86 A W H 3X S+ 0 0 18 -4,-2.7 4,-3.1 1,-0.3 6,-0.2 0.830 103.2 69.5 -58.5 -40.0 12.3 37.4 4.3 83 87 A L H 3< S+ 0 0 78 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.867 119.1 21.7 -50.6 -36.7 8.5 37.9 4.8 84 88 A F H S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 113.3 54.1 -66.5 -32.6 10.0 38.9 11.6 88 92 A L H X S+ 0 0 34 -4,-1.3 4,-2.2 -6,-0.2 -2,-0.2 0.937 109.4 46.9 -62.6 -40.0 11.3 35.6 13.0 89 93 A L H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.953 115.0 45.5 -66.9 -46.8 14.8 37.2 13.3 90 94 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.856 109.2 57.7 -61.0 -29.2 13.2 40.3 15.0 91 95 A L H X S+ 0 0 48 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.965 102.9 53.2 -64.9 -41.7 11.2 37.9 17.1 92 96 A D H X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.921 111.2 45.9 -56.2 -44.8 14.4 36.4 18.3 93 97 A L H X S+ 0 0 3 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.916 114.3 47.6 -67.4 -41.2 15.8 39.8 19.3 94 98 A A H >X>S+ 0 0 2 -4,-2.4 5,-2.0 2,-0.2 4,-0.8 0.954 109.5 48.8 -68.9 -52.7 12.6 41.0 21.1 95 99 A L H ><5S+ 0 0 50 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.889 107.3 61.5 -48.6 -43.7 11.8 37.9 23.2 96 100 A L H 3<5S+ 0 0 10 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.827 112.4 33.8 -50.0 -47.4 15.5 38.2 24.2 97 101 A V H <<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.427 115.4-115.6 -91.3 -0.3 14.9 41.6 25.7 98 102 A D T <<5 - 0 0 130 -4,-0.8 -3,-0.2 -3,-0.8 2,-0.2 0.979 42.3-162.0 62.0 53.7 11.4 40.6 26.8 99 103 A A < - 0 0 17 -5,-2.0 -1,-0.1 1,-0.1 53,-0.1 -0.454 19.0-115.5 -68.8 136.6 9.7 43.2 24.5 100 104 A D >> - 0 0 126 -2,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.364 31.1-110.6 -63.1 154.2 6.1 44.1 25.3 101 105 A Q H 3> S+ 0 0 154 1,-0.3 4,-4.1 2,-0.2 5,-0.3 0.773 115.5 67.7 -64.6 -25.3 3.8 43.0 22.5 102 106 A G H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.950 107.2 39.3 -58.3 -44.2 3.2 46.6 21.5 103 107 A T H <> S+ 0 0 37 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.956 115.8 51.6 -72.3 -41.1 6.8 46.8 20.4 104 108 A I H X S+ 0 0 34 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.956 108.1 52.4 -57.4 -47.2 6.7 43.3 18.9 105 109 A L H X S+ 0 0 121 -4,-4.1 4,-2.2 1,-0.2 5,-0.3 0.907 111.4 46.3 -59.3 -37.5 3.6 44.2 16.9 106 110 A A H X S+ 0 0 31 -4,-1.7 4,-2.7 -5,-0.3 5,-0.3 0.915 113.2 49.6 -70.6 -39.2 5.3 47.4 15.5 107 111 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.981 114.7 43.2 -60.7 -54.9 8.4 45.5 14.7 108 112 A V H X S+ 0 0 55 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.947 118.6 43.5 -60.4 -45.0 6.6 42.7 12.9 109 113 A G H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.897 113.9 48.9 -70.1 -38.1 4.2 44.9 11.0 110 114 A A H X S+ 0 0 13 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.917 111.5 53.5 -64.2 -33.3 6.9 47.4 10.1 111 115 A D H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.3 0.946 105.8 51.4 -64.9 -41.5 8.9 44.4 8.9 112 116 A G H X S+ 0 0 28 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.870 109.5 50.0 -63.2 -31.8 6.0 43.2 6.7 113 117 A I H X S+ 0 0 94 -4,-1.8 4,-3.1 3,-0.2 5,-0.4 0.923 108.1 53.6 -69.7 -42.2 5.8 46.6 5.1 114 118 A M H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.949 117.6 36.1 -57.7 -48.9 9.5 46.6 4.5 115 119 A I H X S+ 0 0 9 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.935 118.1 50.1 -74.3 -42.9 9.3 43.3 2.7 116 120 A G H X S+ 0 0 31 -4,-2.5 4,-2.3 -5,-0.3 -3,-0.2 0.974 115.9 41.7 -60.0 -48.4 6.0 43.8 1.1 117 121 A T H X S+ 0 0 19 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.857 111.7 57.2 -67.9 -33.6 7.0 47.1 -0.3 118 122 A G H X S+ 0 0 10 -4,-2.2 4,-2.0 -5,-0.4 -2,-0.2 0.927 109.6 47.2 -52.8 -44.1 10.4 45.6 -1.2 119 123 A L H X S+ 0 0 58 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.904 109.3 50.1 -69.6 -41.8 8.4 43.0 -3.2 120 124 A V H X S+ 0 0 61 -4,-2.3 4,-1.1 2,-0.2 3,-0.2 0.942 110.6 51.6 -60.8 -44.7 6.2 45.5 -5.0 121 125 A G H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.942 106.9 54.2 -57.0 -44.0 9.3 47.5 -6.0 122 126 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.9 37.7 -61.1 -33.0 10.9 44.3 -7.3 123 127 A L H 3< S+ 0 0 69 -4,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.486 85.6 120.3-100.9 0.8 7.9 43.6 -9.6 124 128 A T << - 0 0 26 -4,-1.1 6,-0.1 -3,-0.8 -59,-0.0 -0.502 50.0-155.3 -75.5 129.9 7.0 47.1 -10.7 125 129 A K S S+ 0 0 151 -2,-0.3 2,-0.7 1,-0.1 -57,-0.2 0.413 73.8 82.6 -85.6 -5.7 7.2 47.6 -14.4 126 130 A V S >> S- 0 0 72 1,-0.2 4,-1.4 -59,-0.1 3,-0.9 -0.925 74.5-146.2-108.7 109.2 7.8 51.4 -14.3 127 131 A Y H >> S+ 0 0 87 -2,-0.7 4,-0.8 1,-0.3 3,-0.5 0.848 90.7 45.4 -45.2 -54.8 11.5 52.0 -13.7 128 132 A S H >> S+ 0 0 78 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.881 106.7 58.1 -65.6 -30.0 11.4 55.2 -11.5 129 133 A Y H X> S+ 0 0 136 -3,-0.9 4,-1.8 1,-0.2 3,-1.1 0.875 92.3 71.3 -71.9 -23.2 8.6 54.0 -9.3 130 134 A R H X S+ 0 0 138 -4,-1.5 4,-3.7 -5,-0.3 3,-0.9 0.970 111.9 40.1 -49.3 -58.8 15.4 52.9 15.6 147 151 A V H 3X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.896 109.5 62.7 -59.2 -32.8 13.2 50.7 17.8 148 152 A L H 3< S+ 0 0 1 -4,-2.3 -2,-0.3 -5,-0.3 -1,-0.3 0.863 122.2 20.1 -58.7 -31.0 16.2 48.3 17.7 149 153 A F H << S+ 0 0 89 -4,-1.9 3,-0.3 -3,-0.9 -2,-0.2 0.845 141.7 18.2-105.1 -55.6 18.1 51.1 19.4 150 154 A F H < S+ 0 0 154 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.133 106.0 81.0-110.3 25.5 15.8 53.6 21.1 151 155 A G < 0 0 28 -4,-1.3 -1,-0.2 -5,-0.5 -4,-0.1 0.290 360.0 360.0-110.7 9.7 12.6 51.5 21.3 152 156 A F 0 0 107 -3,-0.3 -53,-0.0 -53,-0.1 -4,-0.0 -0.610 360.0 360.0-117.8 360.0 13.3 49.4 24.3 153 ! 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 0 182 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.1 17.1 46.4 33.4 155 163 A M - 0 0 77 1,-0.1 -58,-0.1 2,-0.0 -57,-0.0 -0.513 360.0 -89.3 -82.6 155.2 17.7 43.2 31.4 156 164 A R >> - 0 0 86 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.327 38.2-120.2 -55.0 145.4 20.0 40.5 32.7 157 165 A P H 3> S+ 0 0 108 0, 0.0 4,-1.3 0, 0.0 5,-0.3 0.617 112.3 62.8 -70.6 -9.9 23.6 41.2 31.6 158 166 A E H 3> S+ 0 0 77 2,-0.2 4,-1.3 3,-0.1 62,-0.2 0.843 108.0 41.5 -78.1 -34.5 23.6 37.9 29.7 159 167 A V H <> S+ 0 0 4 -3,-0.8 4,-3.7 3,-0.2 5,-0.2 0.880 112.4 55.2 -77.4 -40.8 20.8 39.2 27.4 160 168 A A H X S+ 0 0 16 -4,-2.1 4,-4.3 2,-0.2 5,-0.3 0.983 112.5 39.2 -55.5 -66.6 22.2 42.7 27.0 161 169 A S H X S+ 0 0 68 -4,-1.3 4,-3.0 1,-0.3 5,-0.2 0.926 120.0 47.3 -50.7 -51.3 25.7 41.7 25.8 162 170 A T H X S+ 0 0 10 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.3 0.929 116.1 46.6 -54.9 -44.6 24.1 38.9 23.7 163 171 A F H X S+ 0 0 4 -4,-3.7 4,-2.4 2,-0.2 5,-0.3 0.915 110.9 49.8 -63.4 -47.5 21.6 41.5 22.5 164 172 A K H X S+ 0 0 105 -4,-4.3 4,-2.1 1,-0.2 5,-0.3 0.943 110.7 51.7 -60.5 -45.0 24.1 44.2 21.8 165 173 A V H X S+ 0 0 59 -4,-3.0 4,-2.1 -5,-0.3 5,-0.2 0.959 115.2 40.0 -52.1 -55.3 26.1 41.7 19.8 166 174 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.737 111.5 57.5 -73.3 -22.4 23.2 40.7 17.7 167 175 A R H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.842 110.5 43.5 -74.0 -34.7 21.8 44.2 17.3 168 176 A N H X S+ 0 0 79 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.915 114.5 48.5 -78.2 -39.4 25.0 45.4 15.8 169 177 A V H X S+ 0 0 44 -4,-2.1 4,-2.1 -5,-0.3 5,-0.3 0.885 113.0 51.5 -64.7 -34.0 25.3 42.4 13.6 170 178 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 5,-0.4 0.956 110.7 44.8 -70.3 -45.3 21.7 43.0 12.7 171 179 A V H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.957 114.6 49.6 -63.2 -43.7 22.2 46.7 11.7 172 180 A V H X S+ 0 0 110 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.967 118.6 35.2 -63.7 -45.3 25.3 46.1 9.8 173 181 A L H >X S+ 0 0 24 -4,-2.1 3,-1.5 -5,-0.3 4,-1.0 0.991 118.5 48.5 -73.4 -50.8 24.0 43.2 7.6 174 182 A W H >< S+ 0 0 12 -4,-2.0 3,-1.2 -5,-0.3 -3,-0.2 0.912 106.8 56.2 -54.5 -46.4 20.4 44.4 7.2 175 183 A S H 3X S+ 0 0 36 -4,-2.0 4,-0.9 -5,-0.4 -1,-0.3 0.733 100.5 62.2 -61.1 -16.6 21.4 47.9 6.2 176 184 A A H S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 111.6 51.2 -60.9 -36.8 19.0 48.2 0.5 179 187 A V H X S+ 0 0 82 -4,-0.9 4,-2.0 2,-0.2 5,-0.3 0.958 110.6 47.7 -60.9 -47.4 22.4 49.1 -0.9 180 188 A V H X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.967 112.7 47.9 -61.4 -45.9 22.7 45.8 -2.8 181 189 A W H < S+ 0 0 16 -4,-2.6 6,-0.8 -5,-0.3 3,-0.3 0.964 108.5 55.9 -60.0 -44.3 19.2 46.1 -4.3 182 190 A L H < S+ 0 0 62 -4,-2.3 6,-2.3 -5,-0.3 8,-0.2 0.914 116.9 33.4 -58.4 -39.9 19.8 49.7 -5.3 183 191 A I H < S+ 0 0 46 -4,-2.0 8,-2.4 4,-0.2 7,-0.9 0.622 112.1 76.5 -94.9 -9.6 22.9 48.9 -7.4 184 192 A G S ><>S- 0 0 0 -4,-1.6 5,-2.6 -3,-0.3 3,-0.8 0.108 103.9 -68.5 -88.5-158.4 21.9 45.5 -8.6 185 193 A S T 3 5S+ 0 0 15 1,-0.3 -4,-0.1 6,-0.2 8,-0.1 0.737 124.9 60.5 -69.3 -26.9 19.5 44.1 -11.2 186 194 A E T 3 5S+ 0 0 2 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.792 122.1 8.6 -71.9 -32.1 16.4 45.2 -9.3 187 195 A G T < 5S- 0 0 2 -6,-0.8 -4,-0.2 -3,-0.8 -5,-0.2 0.595 131.5 -0.1-116.3 -96.3 17.4 48.9 -9.5 188 196 A A T 5S- 0 0 46 -6,-2.3 -3,-0.2 -7,-0.3 -5,-0.2 0.735 77.5-127.0 -84.2 -20.5 20.1 50.6 -11.4 189 197 A G < + 0 0 55 -5,-2.6 -5,-0.2 -7,-0.2 -4,-0.2 0.723 69.7 125.6 85.1 15.1 21.8 47.7 -13.1 190 198 A I + 0 0 110 -7,-0.9 -6,-0.2 -6,-0.3 -7,-0.1 0.996 62.3 48.0 -67.5 -77.3 25.2 48.5 -11.7 191 199 A V S S- 0 0 33 -8,-2.4 -6,-0.2 -11,-0.2 -1,-0.1 -0.616 96.5-112.5 -76.6 122.8 26.4 45.3 -10.0 192 200 A P > - 0 0 71 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.074 24.0-110.4 -50.0 158.2 25.8 42.2 -12.1 193 201 A L H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.865 116.2 53.7 -66.5 -32.3 23.2 39.6 -11.1 194 202 A N H > S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.829 109.9 48.0 -74.7 -23.5 25.8 37.0 -10.2 195 203 A I H > S+ 0 0 71 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.910 112.4 46.9 -78.7 -41.6 27.6 39.4 -7.8 196 204 A E H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.905 108.9 55.5 -61.2 -41.4 24.5 40.6 -6.0 197 205 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.899 109.5 48.3 -61.3 -35.9 23.4 36.9 -5.7 198 206 A L H X S+ 0 0 50 -4,-1.1 4,-3.1 2,-0.2 5,-0.3 0.918 111.9 48.4 -67.4 -41.6 26.8 36.4 -4.0 199 207 A L H X S+ 0 0 66 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.944 112.8 46.6 -64.7 -43.5 26.3 39.4 -1.7 200 208 A F H X S+ 0 0 1 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.886 113.1 51.8 -66.7 -35.9 22.8 38.4 -0.7 201 209 A M H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.3 5,-0.3 0.954 111.3 45.1 -64.1 -52.6 24.1 34.8 -0.1 202 210 A V H X S+ 0 0 77 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.955 118.7 43.6 -59.9 -39.3 27.0 36.0 2.1 203 211 A L H X S+ 0 0 20 -4,-3.0 4,-3.4 -5,-0.3 5,-0.2 0.953 113.6 50.6 -69.7 -40.8 24.6 38.3 4.0 204 212 A D H X S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.2 5,-0.5 0.959 111.4 47.0 -60.9 -52.1 21.8 35.8 4.2 205 213 A V H X>S+ 0 0 26 -4,-2.6 5,-2.6 -5,-0.2 4,-1.3 0.948 117.4 43.4 -57.8 -44.0 24.1 33.1 5.6 206 214 A S H <>S+ 0 0 49 -4,-2.0 5,-2.5 -5,-0.3 -2,-0.2 0.925 114.1 50.4 -67.9 -38.7 25.6 35.5 8.1 207 215 A A H <5S+ 0 0 2 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.779 127.4 22.5 -71.6 -22.6 22.2 37.0 9.1 208 216 A K H X5S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.2 -3,-0.2 0.823 136.6 23.1-109.8 -62.4 20.7 33.6 9.7 209 217 A V H X5S+ 0 0 18 -4,-1.3 4,-3.5 -5,-0.5 5,-0.3 0.958 129.5 43.6 -76.3 -47.3 23.2 30.9 10.4 210 218 A G H >< S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.2 6,-0.3 0.962 115.1 40.2 -77.3 -52.7 22.7 33.3 19.6 216 224 A L H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.596 105.0 69.0 -78.7 -4.1 22.2 29.7 20.5 217 225 A R T 3< S+ 0 0 150 -4,-0.8 2,-0.3 -5,-0.3 -1,-0.3 0.555 93.1 74.7 -84.9 -11.2 25.8 29.4 21.6 218 226 A S S X S- 0 0 33 -3,-1.5 3,-1.0 -4,-0.2 4,-0.1 -0.707 81.3-130.2-104.5 151.6 25.0 31.7 24.6 219 227 A R G > S+ 0 0 179 -2,-0.3 3,-1.3 1,-0.2 -60,-0.1 0.431 88.8 99.1 -75.1 1.3 23.2 31.1 27.8 220 228 A A G 3 S+ 0 0 1 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.837 75.3 60.8 -57.6 -28.5 21.2 34.3 27.0 221 229 A I G < S+ 0 0 1 -3,-1.0 -1,-0.3 -6,-0.3 -183,-0.2 0.716 88.1 84.3 -75.3 -21.6 18.5 32.0 25.7 222 230 A F < 0 0 46 -3,-1.3 -3,-0.0 -188,-0.1 -190,-0.0 -0.523 360.0 360.0 -84.3 152.9 17.7 30.2 29.0 223 231 A G 0 0 77 -2,-0.2 -1,-0.1 0, 0.0 -191,-0.0 0.078 360.0 360.0 -87.6 360.0 15.4 31.5 31.6