==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 02-FEB-04 1S8L . COMPND 2 MOLECULE: BACTERIORHODOPSIN PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP.; . AUTHOR M.T.FACCIOTTI,V.S.CHEUNG,C.S.LUNDE,S.ROUHANI,N.S.BALIGA, . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 84.5 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 . 0 0.0 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 . 0 0.0 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 70.3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 1 0 2 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 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 . 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 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 4 A I > 0 0 124 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -49.3 8.1 50.2 56.0 2 5 A T T 3 + 0 0 85 1,-0.3 9,-0.1 5,-0.1 6,-0.0 0.628 360.0 64.1 -68.1 -12.6 7.3 46.8 57.6 3 6 A G T 3 S+ 0 0 64 4,-0.1 -1,-0.3 5,-0.0 3,-0.0 0.508 77.5 103.8 -87.5 -7.3 3.7 48.0 57.7 4 7 A R S X> S- 0 0 132 -3,-1.8 4,-2.0 1,-0.1 3,-1.0 -0.666 73.6-135.3 -79.8 126.3 3.5 48.2 53.9 5 8 A P H 3> S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.848 104.5 58.2 -45.3 -45.2 1.4 45.2 52.5 6 9 A E H 3> S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.889 108.2 45.2 -53.9 -46.4 4.0 44.8 49.7 7 10 A W H <> S+ 0 0 60 -3,-1.0 4,-2.4 -6,-0.3 -1,-0.2 0.896 111.0 54.8 -65.9 -41.5 6.8 44.2 52.3 8 11 A I H X S+ 0 0 71 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.920 107.2 47.9 -59.1 -48.2 4.5 41.9 54.3 9 12 A W H X S+ 0 0 64 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.863 113.1 50.2 -64.0 -32.4 3.8 39.6 51.4 10 13 A L H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.877 111.5 47.5 -71.8 -38.7 7.6 39.5 50.6 11 14 A A H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 113.3 48.0 -68.1 -43.0 8.4 38.7 54.3 12 15 A L H X S+ 0 0 75 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.918 110.7 50.9 -64.5 -44.9 5.8 35.9 54.4 13 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.873 109.3 51.5 -60.3 -39.1 7.0 34.4 51.1 14 17 A T H X S+ 0 0 13 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.930 112.2 46.2 -62.3 -47.0 10.5 34.4 52.4 15 18 A A H X S+ 0 0 57 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.929 113.9 47.8 -63.1 -46.4 9.5 32.6 55.6 16 19 A L H X S+ 0 0 59 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.884 113.4 46.2 -64.8 -40.9 7.3 30.0 53.7 17 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.871 115.7 47.7 -68.8 -37.8 10.0 29.2 51.1 18 21 A G H X S+ 0 0 12 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.952 112.5 47.5 -66.6 -48.9 12.6 28.9 53.9 19 22 A L H X S+ 0 0 121 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 113.8 48.4 -57.9 -45.7 10.4 26.7 56.1 20 23 A G H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.911 109.0 52.3 -62.8 -44.5 9.6 24.5 53.1 21 24 A T H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 112.7 45.4 -56.2 -50.2 13.2 24.1 52.1 22 25 A L H X S+ 0 0 112 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.857 111.5 52.0 -64.0 -38.6 14.2 23.1 55.6 23 26 A Y H X S+ 0 0 79 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.932 111.1 47.0 -65.1 -44.7 11.3 20.7 55.9 24 27 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.920 111.6 53.7 -61.0 -40.7 12.2 19.0 52.6 25 28 A L H X S+ 0 0 104 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.933 112.0 42.1 -58.9 -49.7 15.8 18.9 53.9 26 29 A V H < S+ 0 0 76 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.893 113.6 52.7 -67.6 -36.7 14.8 17.1 57.1 27 30 A K H < S+ 0 0 63 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.862 108.6 51.7 -67.0 -33.5 12.4 14.8 55.3 28 31 A G H >< S+ 0 0 5 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.728 85.4 102.1 -75.4 -24.0 15.2 13.8 52.9 29 32 A M T 3< S+ 0 0 132 -4,-1.1 3,-0.1 -3,-0.4 -3,-0.0 -0.393 89.7 16.4 -63.2 132.2 17.7 13.0 55.6 30 33 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 -0.084 88.3 127.2 96.8 -37.3 17.9 9.2 56.0 31 34 A V < + 0 0 32 -3,-0.9 -1,-0.3 -4,-0.2 -3,-0.0 -0.388 31.0 176.5 -57.5 122.3 16.3 8.3 52.7 32 35 A S + 0 0 108 -2,-0.1 -1,-0.2 -3,-0.1 5,-0.1 0.685 36.7 114.3-103.9 -25.0 18.7 5.9 51.0 33 36 A D > - 0 0 39 1,-0.1 4,-2.2 2,-0.1 -2,-0.0 -0.300 62.2-139.4 -54.9 124.1 16.9 5.0 47.8 34 37 A P H > S+ 0 0 87 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.876 99.3 45.6 -50.0 -53.7 18.7 6.3 44.7 35 38 A D H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.910 112.4 51.8 -61.4 -43.8 15.7 7.4 42.7 36 39 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.893 103.0 59.2 -60.1 -42.4 14.1 9.1 45.7 37 40 A K H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.823 101.6 55.7 -56.0 -35.6 17.3 11.0 46.4 38 41 A K H X S+ 0 0 119 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.2 0.901 108.0 46.5 -65.3 -43.1 17.0 12.6 43.0 39 42 A F H X S+ 0 0 9 -4,-1.3 4,-2.6 -3,-0.3 5,-0.2 0.887 112.3 51.4 -67.7 -37.5 13.5 13.9 43.6 40 43 A Y H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 5,-0.2 0.873 108.8 51.6 -66.2 -38.1 14.6 15.3 47.0 41 44 A A H X S+ 0 0 64 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.958 117.7 35.5 -63.8 -53.3 17.6 17.1 45.5 42 45 A I H X S+ 0 0 33 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 118.6 50.1 -66.7 -47.4 15.6 18.9 42.8 43 46 A T H < S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.736 113.1 46.5 -65.1 -27.7 12.5 19.5 44.9 44 47 A T H X S+ 0 0 23 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.838 109.1 55.6 -82.0 -35.1 14.5 20.9 47.8 45 48 A L H X S+ 0 0 78 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.886 98.0 64.5 -64.3 -39.7 16.5 23.2 45.4 46 49 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.918 107.9 36.4 -51.1 -58.2 13.4 24.8 44.0 47 50 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.753 112.7 61.5 -70.6 -21.2 12.1 26.5 47.2 48 51 A A H X S+ 0 0 27 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.897 105.4 46.4 -69.0 -39.9 15.8 27.2 48.2 49 52 A I H X S+ 0 0 30 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.936 113.6 48.7 -65.8 -46.1 16.2 29.4 45.1 50 53 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.835 108.7 54.1 -62.9 -35.2 12.9 31.1 45.7 51 54 A F H X S+ 0 0 72 -4,-2.0 4,-2.6 -34,-0.2 5,-0.2 0.951 108.8 48.4 -63.5 -48.3 13.9 31.8 49.3 52 55 A T H X S+ 0 0 79 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.907 114.9 46.4 -58.0 -43.5 17.1 33.4 48.2 53 56 A M H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.926 112.9 46.1 -67.2 -48.3 15.2 35.5 45.7 54 57 A Y H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.887 112.9 52.2 -63.2 -37.2 12.4 36.6 48.0 55 58 A L H X S+ 0 0 64 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.936 108.3 50.2 -63.0 -47.5 15.0 37.4 50.7 56 59 A S H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.847 106.4 56.0 -61.3 -33.7 17.0 39.6 48.3 57 60 A M H X S+ 0 0 2 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.921 108.9 47.4 -63.9 -41.8 13.7 41.4 47.3 58 61 A L H < S+ 0 0 30 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 111.3 50.4 -65.2 -40.5 13.3 42.3 51.0 59 62 A L H < S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.4 44.9 -66.6 -33.3 16.9 43.4 51.3 60 63 A G H < 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.601 360.0 360.0 -85.2 -13.4 16.4 45.6 48.2 61 64 A Y < 0 0 60 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.973 360.0 360.0 -76.7 360.0 13.1 46.9 49.5 62 ! 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 63 75 A Q 0 0 232 0, 0.0 4,-0.2 0, 0.0 118,-0.0 0.000 360.0 360.0 360.0 143.1 8.7 49.4 37.1 64 76 A N > - 0 0 66 1,-0.1 3,-1.5 2,-0.1 4,-0.2 0.948 360.0-141.8 71.8 92.8 10.4 48.7 40.4 65 77 A P G > S+ 0 0 102 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.590 88.0 85.1 -56.4 -16.1 13.6 46.6 39.8 66 78 A I G > S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.875 84.5 56.8 -57.4 -38.2 12.9 44.6 43.0 67 79 A Y G <> S+ 0 0 21 -3,-1.5 4,-1.7 1,-0.3 3,-0.3 0.560 83.9 79.4 -74.0 -9.4 10.6 42.3 41.2 68 80 A W H <> S+ 0 0 85 -3,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.731 88.0 61.7 -67.9 -20.1 13.2 41.2 38.6 69 81 A A H <> S+ 0 0 19 -3,-1.3 4,-1.4 -4,-0.4 -1,-0.2 0.864 101.6 49.6 -71.5 -38.5 14.4 39.0 41.4 70 82 A R H > S+ 0 0 7 -4,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.905 110.3 51.0 -66.9 -38.8 11.1 37.1 41.4 71 83 A Y H X S+ 0 0 23 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.844 106.3 54.4 -66.4 -34.5 11.3 36.8 37.6 72 84 A A H X S+ 0 0 34 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.842 105.7 53.5 -67.9 -32.1 14.8 35.4 38.0 73 85 A S H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.872 106.9 51.1 -70.6 -34.0 13.4 32.8 40.3 74 86 A W H X S+ 0 0 22 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.931 106.9 54.9 -65.8 -43.1 10.8 31.8 37.7 75 87 A L H < S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.4 35.2 -55.7 -42.3 13.6 31.4 35.2 76 88 A F H X S+ 0 0 119 -4,-1.5 4,-0.8 2,-0.1 -2,-0.2 0.861 122.1 42.7 -82.5 -40.6 15.5 29.0 37.4 77 89 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.849 100.5 64.6 -80.5 -36.6 12.6 27.1 39.1 78 90 A T H X S+ 0 0 14 -4,-2.4 4,-1.7 -5,-0.3 5,-0.2 0.927 105.7 45.2 -55.6 -47.4 10.1 26.5 36.2 79 91 A P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 112.1 52.9 -66.4 -31.1 12.6 24.2 34.3 80 92 A L H X S+ 0 0 30 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.877 108.6 49.7 -68.4 -37.9 13.5 22.3 37.6 81 93 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.843 111.3 49.7 -68.8 -33.5 9.8 21.7 38.3 82 94 A L H X S+ 0 0 3 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.869 108.7 51.9 -72.2 -36.4 9.4 20.4 34.7 83 95 A L H X S+ 0 0 66 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.887 106.3 55.5 -64.5 -40.0 12.4 18.1 35.2 84 96 A D H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.949 111.5 42.4 -56.4 -52.3 10.8 16.8 38.3 85 97 A L H X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.871 113.5 53.3 -63.8 -37.5 7.7 15.8 36.4 86 98 A A H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.907 108.1 49.8 -64.3 -42.4 9.8 14.5 33.5 87 99 A L H ><5S+ 0 0 64 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.874 107.0 56.1 -64.6 -36.2 11.8 12.2 35.9 88 100 A L H 3<5S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.7 34.0 -64.2 -41.9 8.5 10.9 37.4 89 101 A V T 3<5S- 0 0 1 -4,-1.6 -1,-0.2 70,-0.1 -2,-0.2 0.293 107.6-121.7 -97.2 8.8 7.2 9.7 34.0 90 102 A D T < 5 - 0 0 105 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.931 42.7-168.9 51.5 48.8 10.6 8.8 32.6 91 103 A A < - 0 0 19 -5,-2.5 -1,-0.1 -6,-0.1 2,-0.1 -0.339 21.8-105.7 -68.5 150.7 10.2 11.2 29.7 92 104 A D > - 0 0 96 1,-0.1 4,-1.9 -2,-0.0 3,-0.4 -0.392 26.3-112.2 -75.5 157.8 12.6 11.1 26.8 93 105 A Q H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.825 113.3 61.4 -57.9 -35.9 15.3 13.7 26.3 94 106 A G H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 107.6 41.6 -59.8 -45.9 13.7 15.0 23.2 95 107 A T H > S+ 0 0 44 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.890 113.1 54.8 -70.8 -37.5 10.5 16.0 24.9 96 108 A I H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.934 108.5 48.2 -60.5 -47.0 12.4 17.4 27.9 97 109 A L H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.871 110.9 51.2 -61.2 -38.6 14.4 19.7 25.7 98 110 A A H X S+ 0 0 37 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.918 110.7 49.5 -65.4 -41.7 11.2 20.9 23.9 99 111 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 113.5 43.6 -63.1 -48.4 9.7 21.7 27.3 100 112 A V H X S+ 0 0 50 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.813 112.2 55.5 -68.6 -28.5 12.6 23.7 28.6 101 113 A G H X S+ 0 0 38 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.938 111.0 42.9 -68.1 -44.8 12.9 25.4 25.2 102 114 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.875 111.4 56.5 -67.1 -36.4 9.3 26.5 25.4 103 115 A D H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.874 104.6 52.5 -62.5 -39.0 9.9 27.4 29.1 104 116 A G H X S+ 0 0 37 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.899 110.8 46.7 -64.5 -40.7 12.7 29.7 28.0 105 117 A I H X S+ 0 0 89 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.923 112.0 51.4 -66.7 -43.4 10.5 31.5 25.5 106 118 A M H X S+ 0 0 20 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.936 117.4 38.0 -57.8 -51.1 7.7 31.8 28.1 107 119 A I H X S+ 0 0 10 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.936 118.1 49.7 -67.7 -47.2 10.1 33.3 30.7 108 120 A G H X S+ 0 0 33 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.922 113.8 42.7 -60.2 -48.5 12.0 35.4 28.2 109 121 A T H X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.785 109.3 58.1 -72.4 -25.7 9.0 37.0 26.4 110 122 A G H X S+ 0 0 4 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.890 107.2 48.7 -68.6 -37.5 7.2 37.7 29.7 111 123 A L H >X S+ 0 0 62 -4,-1.7 4,-1.1 2,-0.2 3,-0.5 0.925 111.0 49.5 -65.2 -45.4 10.2 39.7 30.8 112 124 A V H >X S+ 0 0 53 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.897 106.9 56.8 -61.2 -38.5 10.2 41.6 27.5 113 125 A G H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.8 47.4 -63.0 -30.5 6.5 42.2 28.0 114 126 A A H << S+ 0 0 29 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.641 112.0 50.5 -84.3 -18.2 7.2 43.9 31.3 115 127 A L H << S+ 0 0 108 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.877 80.2 112.8 -86.4 -41.3 10.0 46.0 29.9 116 128 A T < - 0 0 28 -4,-2.2 6,-0.0 1,-0.1 -3,-0.0 0.104 54.6-152.9 -38.3 134.2 8.2 47.5 26.8 117 129 A K S S+ 0 0 195 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.130 74.5 81.3 -98.0 18.6 7.6 51.3 27.0 118 130 A V S >> S- 0 0 59 0, 0.0 3,-1.2 0, 0.0 2,-0.9 -0.908 74.3-139.8-132.3 105.9 4.5 51.0 24.7 119 131 A Y T 34 S+ 0 0 135 -2,-0.4 -2,-0.0 1,-0.2 64,-0.0 -0.512 93.7 48.5 -66.1 101.7 1.1 50.0 26.0 120 132 A S T >> S+ 0 0 79 -2,-0.9 3,-0.9 0, 0.0 4,-0.6 -0.363 101.7 59.2 163.9 -55.6 -0.1 47.7 23.2 121 133 A Y H <> S+ 0 0 130 -3,-1.2 4,-2.3 1,-0.2 3,-0.5 0.714 87.4 78.8 -66.5 -22.8 2.9 45.5 22.7 122 134 A R H 3X S+ 0 0 67 -4,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.906 98.3 43.4 -50.7 -45.4 2.6 44.4 26.4 123 135 A F H <> S+ 0 0 55 -3,-0.9 4,-1.8 2,-0.2 -1,-0.3 0.704 106.6 60.7 -75.6 -22.7 -0.2 42.1 25.3 124 136 A V H X S+ 0 0 66 -4,-0.6 4,-1.8 -3,-0.5 -2,-0.2 0.963 110.1 40.9 -68.3 -50.2 1.7 40.9 22.2 125 137 A W H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.865 113.4 54.8 -66.0 -33.2 4.5 39.5 24.3 126 138 A W H X S+ 0 0 65 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.864 106.7 51.8 -66.3 -36.8 2.0 38.2 26.8 127 139 A A H X S+ 0 0 50 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.884 111.4 46.0 -68.1 -38.4 0.3 36.3 23.9 128 140 A I H X S+ 0 0 70 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.910 114.1 48.2 -70.6 -42.0 3.5 34.7 22.8 129 141 A S H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 112.9 47.8 -63.7 -45.2 4.5 33.8 26.4 130 142 A T H X S+ 0 0 22 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.859 108.2 55.3 -65.0 -35.7 1.0 32.3 27.1 131 143 A A H X S+ 0 0 58 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.909 109.1 48.2 -62.9 -40.5 1.2 30.3 23.8 132 144 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 111.6 49.2 -65.3 -42.6 4.4 28.8 25.1 133 145 A M H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.905 107.4 55.5 -63.9 -41.5 2.9 28.0 28.4 134 146 A L H X S+ 0 0 101 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.868 106.2 51.2 -60.2 -36.2 -0.1 26.4 26.7 135 147 A Y H X S+ 0 0 103 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.938 111.0 47.6 -66.0 -47.2 2.3 24.1 24.8 136 148 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.921 114.0 46.6 -59.2 -47.2 4.0 23.0 28.0 137 149 A L H X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.837 110.0 54.3 -66.0 -33.4 0.7 22.4 29.7 138 150 A Y H X>S+ 0 0 150 -4,-2.0 4,-2.3 -5,-0.2 5,-1.0 0.902 110.1 46.9 -66.0 -41.8 -0.6 20.5 26.7 139 151 A V H <>S+ 0 0 21 -4,-2.2 5,-2.5 3,-0.2 4,-0.4 0.905 115.5 46.0 -66.4 -41.2 2.5 18.2 26.8 140 152 A L H <5S+ 0 0 0 -4,-2.4 5,-0.5 3,-0.2 -2,-0.2 0.935 118.1 40.6 -67.9 -46.7 2.0 17.7 30.6 141 153 A F H <5S+ 0 0 71 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.892 133.1 17.9 -72.1 -42.6 -1.7 17.0 30.5 142 154 A F T X5S+ 0 0 115 -4,-2.3 4,-1.2 -5,-0.3 -3,-0.2 0.864 131.0 39.6 -98.0 -44.0 -2.0 14.8 27.3 143 155 A G H > S+ 0 0 13 -5,-0.5 4,-2.6 -6,-0.3 -1,-0.2 0.911 102.0 50.7 -63.6 -43.5 -0.5 11.3 31.2 146 158 A S H X S+ 0 0 80 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.953 114.8 43.5 -58.6 -51.4 -0.3 8.6 28.6 147 159 A K H >< S+ 0 0 77 -4,-1.4 3,-0.6 1,-0.2 -1,-0.2 0.882 113.4 52.2 -62.0 -40.9 3.2 7.6 29.7 148 160 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 8,-0.3 0.879 104.0 56.4 -64.3 -40.6 2.2 7.9 33.4 149 161 A E H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.686 101.8 56.3 -66.0 -21.5 -0.8 5.5 33.0 150 162 A S T << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.410 103.1 75.6 -89.1 -0.2 1.4 2.8 31.5 151 163 A M S < S- 0 0 47 -3,-1.6 5,-0.1 1,-0.2 -62,-0.0 -0.465 101.1 -48.4-104.9 178.7 3.5 2.9 34.7 152 164 A R >> - 0 0 74 -2,-0.2 4,-2.4 1,-0.1 3,-0.8 -0.062 55.1-117.0 -43.4 138.3 3.1 1.7 38.3 153 165 A P H 3> S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 114.8 54.3 -50.3 -40.3 -0.2 2.7 39.9 154 166 A E H 3> S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 62,-0.3 0.843 110.3 46.5 -63.3 -37.9 1.5 4.9 42.5 155 167 A V H <> S+ 0 0 6 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.953 113.7 46.5 -70.0 -50.1 3.3 6.9 39.8 156 168 A A H X S+ 0 0 12 -4,-2.4 4,-1.8 -8,-0.3 -2,-0.2 0.904 115.4 48.5 -58.8 -41.3 0.2 7.4 37.6 157 169 A S H X S+ 0 0 74 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.919 114.4 42.3 -66.2 -48.7 -1.8 8.4 40.7 158 170 A T H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.865 112.6 54.8 -68.3 -37.4 0.7 10.9 42.1 159 171 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.900 104.2 53.8 -62.6 -43.9 1.5 12.4 38.6 160 172 A K H X S+ 0 0 55 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.885 111.1 46.2 -58.2 -41.4 -2.2 13.1 37.9 161 173 A V H X S+ 0 0 67 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.942 115.8 44.7 -66.5 -47.9 -2.4 15.1 41.2 162 174 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.867 113.2 53.7 -63.2 -35.2 0.8 17.0 40.5 163 175 A R H X S+ 0 0 26 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.957 109.4 45.3 -63.8 -53.1 -0.4 17.5 36.9 164 176 A N H X S+ 0 0 75 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.917 114.3 50.0 -58.5 -44.2 -3.7 19.0 37.9 165 177 A V H X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.919 112.7 47.1 -60.6 -45.1 -2.0 21.2 40.5 166 178 A T H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.942 111.4 49.2 -64.1 -48.7 0.6 22.4 37.9 167 179 A V H X S+ 0 0 34 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.919 116.0 43.2 -59.3 -44.3 -2.0 23.2 35.2 168 180 A V H X S+ 0 0 101 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.941 118.8 41.3 -68.3 -49.6 -4.2 25.2 37.5 169 181 A L H >X S+ 0 0 28 -4,-2.5 3,-0.7 -5,-0.2 4,-0.7 0.926 116.1 47.9 -66.7 -46.1 -1.4 27.2 39.3 170 182 A W H >< S+ 0 0 13 -4,-2.7 3,-0.9 -5,-0.3 -1,-0.2 0.883 107.2 57.6 -63.4 -37.8 0.7 27.9 36.2 171 183 A S H 3X S+ 0 0 41 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.752 97.8 63.5 -63.6 -25.3 -2.4 29.0 34.3 172 184 A A H S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.891 113.7 52.5 -59.0 -34.3 -0.7 35.1 32.9 175 187 A V H X S+ 0 0 81 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.928 110.9 44.7 -64.1 -48.6 -4.1 36.0 34.3 176 188 A V H X S+ 0 0 13 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.857 113.7 52.4 -63.7 -35.7 -2.6 37.9 37.3 177 189 A W H < S+ 0 0 17 -4,-2.4 6,-0.9 -5,-0.2 8,-0.3 0.928 109.1 48.4 -66.9 -47.2 -0.1 39.5 35.0 178 190 A L H < S+ 0 0 50 -4,-2.5 6,-3.4 1,-0.2 -2,-0.2 0.852 117.7 39.9 -64.3 -37.6 -2.8 40.8 32.6 179 191 A I H < S+ 0 0 48 -4,-1.9 8,-2.8 4,-0.2 7,-1.6 0.605 111.1 78.8 -87.2 -9.5 -4.9 42.2 35.3 180 192 A G S ><>S- 0 0 0 -4,-0.9 5,-3.1 5,-0.2 3,-1.0 -0.069 105.4 -78.5 -86.0-169.6 -1.8 43.5 37.1 181 193 A S T 3 5S+ 0 0 53 1,-0.3 -4,-0.1 3,-0.2 -3,-0.1 0.729 128.1 55.0 -63.6 -26.9 0.5 46.5 36.7 182 194 A E T 3 5S+ 0 0 36 -5,-0.3 -1,-0.3 2,-0.0 -4,-0.1 0.711 121.7 27.5 -78.3 -23.1 2.3 44.9 33.8 183 195 A G T < 5S- 0 0 0 -3,-1.0 -4,-0.2 -6,-0.9 -5,-0.2 0.597 136.1 -23.3-101.6-105.2 -1.0 44.3 31.9 184 196 A A T 5S- 0 0 40 -6,-3.4 -3,-0.2 -7,-0.1 -5,-0.1 0.425 74.0-127.1 -95.2 -1.8 -4.1 46.4 32.3 185 197 A G < + 0 0 51 -5,-3.1 -5,-0.2 -8,-0.3 -4,-0.2 0.874 66.4 132.0 57.1 42.3 -3.4 47.8 35.8 186 198 A I + 0 0 119 -7,-1.6 -6,-0.2 -6,-0.3 -7,-0.1 0.858 60.5 54.1 -87.7 -45.5 -6.7 46.7 37.2 187 199 A V S S- 0 0 30 -8,-2.8 -6,-0.1 -11,-0.2 -1,-0.1 -0.776 94.6-110.7 -94.7 134.0 -5.5 45.1 40.4 188 200 A P > - 0 0 75 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.164 28.0-110.2 -58.9 159.0 -3.2 47.2 42.7 189 201 A L H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 115.4 52.5 -59.3 -45.7 0.4 46.3 43.1 190 202 A N H > S+ 0 0 55 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.804 110.9 48.0 -64.4 -27.9 0.2 45.1 46.7 191 203 A I H > S+ 0 0 68 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.894 112.4 48.8 -76.9 -40.9 -2.7 42.7 45.8 192 204 A E H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.849 107.9 54.1 -65.1 -36.9 -0.7 41.4 42.8 193 205 A T H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.844 109.1 50.8 -65.5 -33.0 2.4 40.9 44.9 194 206 A L H X S+ 0 0 41 -4,-1.0 4,-2.3 -5,-0.2 -2,-0.2 0.927 109.1 49.0 -68.7 -47.9 0.1 38.8 47.2 195 207 A L H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.6 48.1 -60.6 -46.1 -1.3 36.7 44.3 196 208 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.868 111.4 51.9 -63.9 -36.3 2.2 35.9 42.9 197 209 A M H X S+ 0 0 6 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.924 112.0 44.0 -65.9 -46.5 3.5 35.0 46.4 198 210 A V H X S+ 0 0 67 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.878 115.9 49.4 -65.6 -38.4 0.6 32.5 47.1 199 211 A L H X S+ 0 0 22 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.3 49.4 -65.3 -46.3 1.0 31.1 43.5 200 212 A D H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 5,-0.3 0.918 113.2 45.0 -60.0 -48.1 4.8 30.8 44.0 201 213 A V H X>S+ 0 0 21 -4,-2.5 5,-2.0 2,-0.2 4,-2.0 0.922 114.7 47.5 -64.2 -45.7 4.5 28.9 47.4 202 214 A S H <>S+ 0 0 45 -4,-2.1 5,-1.3 1,-0.2 -1,-0.2 0.911 113.0 49.7 -61.9 -42.1 1.8 26.6 46.2 203 215 A A H <5S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.684 127.3 22.6 -71.9 -19.9 3.7 25.8 43.0 204 216 A K H X5S+ 0 0 4 -4,-1.1 4,-1.7 -3,-0.4 -3,-0.2 0.792 134.8 27.0-112.0 -57.5 6.9 25.0 44.9 205 217 A V H X5S+ 0 0 19 -4,-2.0 4,-2.5 -5,-0.3 -3,-0.2 0.937 127.4 44.5 -75.4 -47.2 6.3 24.1 48.5 206 218 A G H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.952 115.8 43.9 -62.3 -56.6 5.5 14.8 45.6 212 224 A L H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.602 107.2 60.8 -69.3 -13.2 7.8 14.0 48.5 213 225 A R H 3< S+ 0 0 147 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.626 94.2 90.5 -85.4 -14.1 4.9 12.5 50.6 214 226 A S S X< S- 0 0 23 -3,-1.3 3,-0.8 -4,-0.5 4,-0.1 -0.500 73.9-139.5 -89.3 153.3 4.4 9.9 47.8 215 227 A R G > S+ 0 0 125 1,-0.2 3,-1.1 -2,-0.2 -60,-0.1 0.496 90.6 87.9 -82.4 -5.1 5.8 6.4 47.3 216 228 A A G 3 S+ 0 0 4 -62,-0.3 -1,-0.2 1,-0.2 -61,-0.1 0.660 75.3 65.6 -68.5 -19.8 6.1 7.2 43.6 217 229 A I G < S+ 0 0 0 -3,-0.8 -1,-0.2 -6,-0.3 -178,-0.2 0.704 87.5 89.4 -76.5 -18.4 9.6 8.7 44.1 218 230 A F S < S- 0 0 41 -3,-1.1 -3,-0.0 -183,-0.1 -4,-0.0 -0.437 80.4-129.9 -80.8 150.9 11.0 5.3 45.1 219 231 A G 0 0 35 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.784 360.0 360.0 -67.9 -28.0 12.4 2.8 42.6 220 232 A E 0 0 140 -5,-0.1 -1,-0.2 0, 0.0 -4,-0.0 -0.222 360.0 360.0 47.9 360.0 10.2 0.0 44.1