==== 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 ELECTRON TRANSPORT 12-JAN-04 1S30 . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR S.JIN,D.M.KURTZ JR.,Z.-J.LIU,J.ROSE,B.-C.WANG . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 71.1 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 . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 2 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 . 1 0 1 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 . 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 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 2 A K 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.1 -0.6 29.6 55.0 2 3 A S - 0 0 39 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.125 360.0-147.9 -63.2 159.8 2.0 30.2 52.3 3 4 A L > + 0 0 6 59,-0.1 3,-2.5 5,-0.1 6,-0.5 0.583 52.1 131.3-102.2 -17.3 5.7 30.6 52.9 4 5 A K T 3 S+ 0 0 140 1,-0.3 3,-0.1 5,-0.1 4,-0.1 -0.019 80.4 0.9 -43.5 133.5 6.3 33.0 49.9 5 6 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.364 101.0 129.0 68.9 -6.2 8.3 36.1 50.9 6 7 A S <> - 0 0 10 -3,-2.5 4,-1.0 1,-0.1 -1,-0.2 -0.372 67.4-127.4 -79.1 160.4 8.6 35.0 54.5 7 8 A R H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.825 110.4 60.5 -73.1 -32.4 11.9 34.9 56.3 8 9 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 96.8 59.0 -62.5 -39.1 11.2 31.3 57.3 9 10 A E H > S+ 0 0 26 -6,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.944 110.5 42.1 -56.0 -47.4 11.1 30.3 53.6 10 11 A K H X S+ 0 0 99 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.848 111.7 55.3 -69.2 -32.4 14.6 31.6 53.3 11 12 A N H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.874 105.1 53.7 -67.3 -35.9 15.6 30.0 56.6 12 13 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.935 111.2 44.6 -63.3 -46.7 14.3 26.6 55.3 13 14 A L H X S+ 0 0 36 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.901 111.4 53.4 -65.6 -40.1 16.5 26.8 52.2 14 15 A T H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 111.6 45.6 -60.5 -42.6 19.5 28.0 54.1 15 16 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.916 111.4 52.9 -66.6 -42.0 19.2 25.0 56.5 16 17 A F H X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.906 109.8 48.4 -59.0 -42.7 18.7 22.7 53.5 17 18 A A H X S+ 0 0 23 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.917 114.7 44.8 -64.2 -44.9 21.9 24.0 51.9 18 19 A G H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 113.3 49.3 -66.2 -44.0 23.8 23.6 55.1 19 20 A E H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.872 109.1 54.0 -62.7 -37.7 22.4 20.1 55.8 20 21 A S H X S+ 0 0 44 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.879 110.2 46.2 -64.4 -40.2 23.2 19.1 52.2 21 22 A Q H X S+ 0 0 66 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.906 109.4 54.5 -70.0 -40.7 26.9 20.1 52.7 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.862 103.2 57.7 -60.5 -36.6 27.1 18.4 56.0 23 24 A R H X S+ 0 0 95 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.937 110.4 42.5 -59.5 -47.4 25.9 15.1 54.4 24 25 A N H X S+ 0 0 79 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.943 114.0 51.4 -64.9 -47.9 28.8 15.2 51.9 25 26 A R H X S+ 0 0 40 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.921 110.2 48.9 -55.8 -47.2 31.4 16.3 54.6 26 27 A Y H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.879 109.8 51.5 -62.8 -38.8 30.3 13.4 56.9 27 28 A N H X S+ 0 0 59 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.894 112.0 47.2 -65.7 -37.4 30.6 10.8 54.1 28 29 A Y H X S+ 0 0 120 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 111.2 50.4 -69.3 -41.3 34.1 12.1 53.3 29 30 A F H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.851 107.4 56.0 -64.1 -32.7 35.1 12.0 56.9 30 31 A G H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.899 105.4 50.1 -65.2 -41.1 33.7 8.5 57.1 31 32 A G H X S+ 0 0 36 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.905 112.6 47.5 -63.2 -39.6 36.0 7.5 54.2 32 33 A Q H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.885 106.2 57.0 -68.5 -38.7 38.9 9.0 56.1 33 34 A A H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 -1,-0.2 0.870 105.7 52.5 -59.5 -35.7 37.9 7.3 59.3 34 35 A K H ><5S+ 0 0 96 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.889 109.1 48.6 -67.2 -38.1 38.2 4.0 57.4 35 36 A K H 3<5S+ 0 0 162 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.821 108.2 54.1 -70.6 -32.0 41.7 4.9 56.2 36 37 A D T 3<5S- 0 0 59 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.431 122.1-107.8 -82.2 1.7 42.7 5.8 59.8 37 38 A G T < 5S+ 0 0 22 -3,-0.9 2,-0.5 -4,-0.2 -3,-0.2 0.817 79.4 126.8 78.5 33.5 41.6 2.4 60.9 38 39 A F >< + 0 0 37 -5,-2.8 4,-2.2 1,-0.2 144,-0.1 -0.748 24.0 168.6-123.2 83.3 38.4 3.3 62.8 39 40 A V H > S+ 0 0 11 142,-2.0 4,-2.4 -2,-0.5 5,-0.2 0.917 77.0 49.0 -63.7 -47.1 35.5 1.2 61.4 40 41 A Q H > S+ 0 0 55 141,-0.5 4,-1.8 143,-0.3 -1,-0.2 0.956 114.3 47.0 -57.7 -49.3 32.9 2.0 64.0 41 42 A I H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 109.5 55.7 -58.9 -37.9 33.6 5.7 63.7 42 43 A S H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.935 109.2 45.2 -60.4 -47.9 33.5 5.4 59.9 43 44 A D H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.781 109.1 57.1 -68.2 -27.0 30.0 3.9 60.0 44 45 A I H X S+ 0 0 25 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.897 107.7 47.8 -69.9 -39.8 28.9 6.5 62.5 45 46 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.947 112.9 48.5 -64.2 -46.9 29.9 9.2 60.1 46 47 A A H X S+ 0 0 33 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 113.7 46.1 -60.5 -43.8 28.0 7.4 57.3 47 48 A E H X S+ 0 0 85 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 111.9 50.7 -66.8 -41.3 24.9 7.0 59.4 48 49 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.932 109.2 52.7 -61.1 -42.0 25.0 10.6 60.5 49 50 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.913 108.6 49.8 -57.9 -44.5 25.4 11.6 56.9 50 51 A D H X S+ 0 0 64 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.861 109.7 51.1 -63.5 -35.7 22.3 9.6 56.0 51 52 A Q H X S+ 0 0 71 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.856 106.1 54.4 -71.8 -31.5 20.4 11.2 58.9 52 53 A E H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.894 103.8 56.9 -65.8 -38.1 21.4 14.6 57.5 53 54 A R H X S+ 0 0 92 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.886 108.8 46.5 -57.8 -39.4 19.9 13.5 54.2 54 55 A E H X S+ 0 0 91 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.849 109.1 52.2 -74.1 -35.7 16.6 13.0 56.1 55 56 A H H X S+ 0 0 24 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 112.1 48.5 -63.1 -45.2 16.7 16.3 57.9 56 57 A A H X S+ 0 0 6 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.888 108.6 53.6 -61.1 -41.8 17.2 17.9 54.6 57 58 A K H X S+ 0 0 118 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.914 106.6 50.5 -62.3 -44.7 14.4 16.0 53.0 58 59 A R H < S+ 0 0 112 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.930 115.6 43.9 -58.7 -44.2 11.9 17.1 55.6 59 60 A L H >X S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 4,-0.7 0.891 109.9 55.9 -66.5 -42.3 12.9 20.7 55.1 60 61 A F H >< S+ 0 0 113 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.900 100.1 59.8 -58.2 -42.9 12.9 20.3 51.3 61 62 A K T 3< S+ 0 0 155 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.643 95.9 62.2 -64.1 -15.4 9.3 19.2 51.3 62 63 A F T <4 S+ 0 0 35 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.793 84.3 99.9 -78.9 -28.9 8.1 22.4 52.9 63 64 A L << - 0 0 45 -3,-1.2 3,-0.1 -4,-0.7 -54,-0.0 -0.190 62.2-151.4 -62.0 149.4 9.3 24.5 50.0 64 65 A E - 0 0 101 1,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.248 47.0 -95.1-107.3 10.9 6.9 25.7 47.3 65 66 A G S S+ 0 0 59 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 -0.224 73.0 82.0 103.0 168.0 9.0 25.9 44.2 66 67 A G S S- 0 0 77 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.096 80.1 -61.1 79.3 164.0 11.1 28.4 42.2 67 68 A D - 0 0 174 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.592 48.1-169.6 -84.4 145.5 14.6 29.7 42.8 68 69 A L - 0 0 58 -2,-0.2 2,-0.3 -58,-0.0 -2,-0.0 -0.992 16.6-133.7-140.0 128.2 15.5 31.5 46.0 69 70 A E - 0 0 165 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.637 24.9-173.8 -83.5 133.7 18.7 33.5 46.8 70 71 A I - 0 0 50 -2,-0.3 2,-0.5 -57,-0.1 -59,-0.0 -0.932 17.1-152.5-127.2 151.8 20.3 32.9 50.2 71 72 A V + 0 0 133 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.981 38.8 135.6-123.4 114.9 23.3 34.5 51.9 72 73 A A - 0 0 46 -2,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.995 47.3-117.0-158.2 160.8 25.2 32.3 54.3 73 74 A A + 0 0 97 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.797 31.4 176.0-103.1 143.4 28.6 31.1 55.5 74 75 A F - 0 0 76 -2,-0.4 2,-0.4 -53,-0.0 -56,-0.0 -0.944 40.9 -85.3-141.5 160.3 29.7 27.5 55.3 75 76 A P - 0 0 73 0, 0.0 2,-1.4 0, 0.0 3,-0.0 -0.553 32.4-150.7 -71.3 120.9 32.9 25.6 56.1 76 77 A A - 0 0 104 -2,-0.4 2,-0.1 2,-0.0 -3,-0.0 -0.694 55.0 -67.9 -91.6 84.1 35.3 25.8 53.1 77 78 A G + 0 0 46 -2,-1.4 -52,-0.0 1,-0.1 2,-0.0 -0.401 49.6 161.0 93.4-178.1 37.0 22.5 53.7 78 79 A I - 0 0 128 -2,-0.1 2,-0.6 -3,-0.0 -1,-0.1 0.701 12.5-175.8-138.8 174.6 38.7 20.6 55.0 79 80 A I + 0 0 97 -2,-0.0 2,-0.1 -51,-0.0 3,-0.1 -0.935 35.0 150.6-108.4 113.9 39.5 16.9 55.3 80 81 A A - 0 0 31 -2,-0.6 2,-0.1 1,-0.3 -48,-0.0 -0.229 52.7 -41.5-118.6-151.3 42.0 16.2 58.0 81 82 A D > - 0 0 86 -2,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.408 64.8-103.0 -74.6 159.6 42.8 13.3 60.4 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.835 119.7 53.8 -54.4 -39.8 39.8 11.6 62.0 83 84 A H H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.956 112.0 44.8 -61.3 -49.1 40.2 13.3 65.4 84 85 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 112.3 53.0 -62.1 -37.4 40.2 16.7 63.8 85 86 A N H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.880 107.9 50.2 -66.4 -37.4 37.3 15.7 61.6 86 87 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.894 110.9 50.3 -67.2 -37.9 35.3 14.6 64.6 87 88 A I H X S+ 0 0 82 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.905 111.8 46.2 -66.9 -41.8 36.1 17.9 66.3 88 89 A A H X S+ 0 0 57 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.871 111.8 51.8 -69.4 -36.6 35.0 20.0 63.4 89 90 A S H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.920 108.4 50.8 -65.4 -43.5 31.8 18.0 62.9 90 91 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.878 108.9 52.6 -61.1 -38.0 30.9 18.5 66.6 91 92 A A H X S+ 0 0 59 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.908 109.8 48.5 -64.9 -40.8 31.4 22.2 66.1 92 93 A G H X S+ 0 0 19 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.925 112.6 47.2 -64.3 -44.8 29.1 22.2 63.2 93 94 A E H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.921 110.6 54.2 -61.5 -44.6 26.4 20.3 65.1 94 95 A H H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 5,-0.5 0.928 106.7 48.9 -56.3 -51.4 26.9 22.7 68.0 95 96 A H H X>S+ 0 0 106 -4,-2.4 4,-2.3 1,-0.2 5,-1.8 0.916 111.3 53.9 -55.6 -42.6 26.2 25.8 66.0 96 97 A E H <>S+ 0 0 17 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.886 115.4 33.7 -61.3 -45.7 23.1 24.1 64.5 97 98 A Y H <5S+ 0 0 39 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.671 126.5 39.0 -89.7 -14.5 21.3 23.2 67.8 98 99 A T H <5S+ 0 0 49 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.755 135.2 7.6-101.0 -30.4 22.4 26.2 69.8 99 100 A E T X5S+ 0 0 108 -4,-2.3 4,-1.9 -5,-0.5 5,-0.2 0.786 123.9 40.7-115.5 -66.8 22.2 28.9 67.2 100 101 A M H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.934 114.6 46.1 -60.2 -40.5 16.6 27.7 67.7 103 104 A S H X S+ 0 0 57 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 113.5 48.0 -65.1 -45.6 16.7 31.0 65.9 104 105 A F H X S+ 0 0 24 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.881 112.2 50.3 -62.7 -39.2 14.9 29.7 62.8 105 106 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.939 109.7 49.3 -64.9 -47.2 12.2 28.1 65.1 106 107 A R H X S+ 0 0 150 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.893 113.8 46.1 -59.7 -41.2 11.6 31.3 67.0 107 108 A I H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 110.0 54.8 -69.5 -36.5 11.3 33.3 63.7 108 109 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-0.5 0.949 110.2 45.5 -60.6 -49.2 9.0 30.6 62.3 109 110 A R H ><5S+ 0 0 96 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.900 110.0 56.1 -60.2 -41.3 6.7 30.9 65.3 110 111 A E H 3<5S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.864 110.2 43.7 -59.5 -39.0 6.9 34.7 65.0 111 112 A E T 3<5S- 0 0 46 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.419 123.8-101.9 -88.1 0.6 5.7 34.6 61.4 112 113 A G T < 5S+ 0 0 41 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.779 81.5 128.0 87.3 27.7 3.0 32.0 62.2 113 114 A Y >< + 0 0 22 -5,-2.9 4,-2.2 1,-0.2 5,-0.2 -0.607 22.1 160.1-113.9 68.0 4.5 28.8 60.9 114 115 A E H > + 0 0 100 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.895 69.7 52.3 -56.9 -49.0 4.1 26.6 64.0 115 116 A E H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.945 112.8 46.3 -55.7 -48.3 4.5 23.2 62.4 116 117 A I H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 109.2 54.7 -61.5 -40.0 7.7 24.3 60.8 117 118 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.903 106.9 52.1 -60.0 -40.9 9.0 25.7 64.0 118 119 A R H X S+ 0 0 170 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.873 108.8 49.6 -63.1 -38.9 8.3 22.4 65.7 119 120 A V H X S+ 0 0 10 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.916 109.0 51.7 -67.7 -42.5 10.3 20.6 63.0 120 121 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.915 113.2 45.9 -58.2 -43.9 13.3 23.0 63.4 121 122 A A H X S+ 0 0 46 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.891 113.0 49.5 -66.3 -41.4 13.2 22.4 67.2 122 123 A S H >X S+ 0 0 76 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.928 108.6 51.5 -65.1 -46.7 12.9 18.6 66.7 123 124 A I H 3X S+ 0 0 12 -4,-3.0 4,-2.2 1,-0.2 3,-0.4 0.910 103.2 60.9 -56.8 -41.6 15.8 18.5 64.3 124 125 A A H 3X S+ 0 0 11 -4,-1.8 4,-1.9 1,-0.3 -1,-0.2 0.863 99.6 55.9 -54.0 -37.5 17.9 20.4 66.8 125 126 A V H S+ 0 0 31 -4,-2.3 5,-3.5 1,-0.2 6,-0.7 0.898 111.4 46.5 -59.6 -40.3 38.2 8.1 72.9 141 142 A I H ><5S+ 0 0 35 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.940 111.8 50.0 -67.1 -47.1 40.8 8.7 70.2 142 143 A K H 3<5S+ 0 0 166 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.898 115.3 43.0 -58.9 -41.7 42.6 11.4 72.2 143 144 A E T 3<5S- 0 0 110 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.346 111.9-117.9 -87.4 6.4 42.8 9.3 75.3 144 145 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.913 78.2 125.4 57.6 44.2 43.8 6.2 73.4 145 146 A R < + 0 0 83 -5,-3.5 -4,-0.2 -6,-0.2 -5,-0.1 0.232 34.3 97.4-115.6 9.2 40.6 4.4 74.5 146 147 A V S S+ 0 0 24 -6,-0.7 -5,-0.1 1,-0.2 -1,-0.1 0.935 106.9 10.3 -64.9 -43.4 39.2 3.4 71.1 147 148 A F S S+ 0 0 33 -7,-0.2 22,-2.4 1,-0.1 2,-0.4 0.334 127.4 55.4-118.4 4.9 40.6 -0.1 71.3 148 149 A L E -A 168 0A 93 20,-0.2 2,-0.3 -4,-0.1 20,-0.2 -0.993 57.3-179.4-143.8 133.1 41.8 -0.4 74.9 149 150 A R E - 0 0 62 18,-3.1 4,-0.1 -2,-0.4 -3,-0.0 -0.846 36.8-111.9-127.5 165.7 40.0 0.1 78.2 150 151 A E E S+ 0 0 108 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.946 98.2 35.9 -60.5 -56.6 40.9 -0.0 81.9 151 152 A Q E S- 0 0 138 1,-0.1 2,-0.2 16,-0.1 -2,-0.1 -0.629 99.8 -88.5 -99.8 161.5 38.9 -3.1 82.9 152 153 A A E + 0 0 76 -2,-0.2 15,-0.3 13,-0.1 2,-0.2 -0.468 59.3 156.9 -68.2 132.4 38.2 -6.2 80.9 153 154 A T E -A 166 0A 57 13,-2.5 13,-2.2 -2,-0.2 2,-0.5 -0.686 42.9 -78.8-139.9-167.5 35.1 -5.8 78.8 154 155 A K E -A 165 0A 104 -2,-0.2 32,-3.0 11,-0.2 2,-0.4 -0.909 35.1-165.1-110.7 129.9 33.5 -7.3 75.6 155 156 A W E -AB 164 185A 1 9,-3.9 9,-4.0 -2,-0.5 2,-0.4 -0.923 4.6-156.8-112.9 134.1 34.6 -6.4 72.1 156 157 A R E -AB 163 184A 79 28,-3.0 28,-1.8 -2,-0.4 2,-0.5 -0.930 15.4-132.4-115.5 132.4 32.6 -7.2 69.0 157 158 A C E > - B 0 183A 0 5,-2.7 4,-2.2 -2,-0.4 26,-0.2 -0.702 11.9-154.5 -79.5 121.3 34.0 -7.4 65.5 158 159 A R T 4 S+ 0 0 82 24,-2.9 -1,-0.2 -2,-0.5 25,-0.1 0.762 89.3 57.1 -68.7 -24.4 31.8 -5.4 63.2 159 160 A N T 4 S+ 0 0 82 23,-0.1 -1,-0.2 1,-0.1 24,-0.0 0.893 130.4 0.9 -75.1 -41.5 32.7 -7.5 60.2 160 161 A C T 4 S- 0 0 60 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.492 92.9-112.9-127.4 -9.4 31.8 -11.0 61.4 161 162 A G < + 0 0 32 -4,-2.2 -3,-0.1 1,-0.2 -2,-0.0 0.530 54.6 159.4 89.0 4.0 30.3 -10.6 64.9 162 163 A Y - 0 0 87 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.5 -0.341 32.6-140.7 -60.0 141.8 33.0 -12.4 66.8 163 164 A V E -A 156 0A 65 -7,-0.2 2,-0.4 23,-0.0 -7,-0.2 -0.936 16.2-166.0-110.8 128.4 33.0 -11.4 70.5 164 165 A H E -A 155 0A 44 -9,-4.0 -9,-3.9 -2,-0.5 2,-0.6 -0.948 7.6-151.2-117.4 133.5 36.3 -10.9 72.3 165 166 A E E +A 154 0A 145 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.897 49.0 80.4-106.9 121.8 36.8 -10.6 76.1 166 167 A G E S-A 153 0A 18 -13,-2.2 -13,-2.5 -2,-0.6 -15,-0.1 -0.959 88.5 -76.3 168.6 178.9 39.6 -8.6 77.4 167 168 A T E S+ 0 0 70 -15,-0.3 -18,-3.1 -2,-0.3 2,-0.3 0.742 112.0 25.0 -72.7 -22.1 40.9 -5.1 78.3 168 169 A G E S-A 148 0A 15 -20,-0.2 -20,-0.2 -15,-0.1 -13,-0.1 -0.964 86.0 -96.1-144.2 160.6 41.5 -4.5 74.6 169 170 A A - 0 0 9 -22,-2.4 11,-0.1 -2,-0.3 -22,-0.1 -0.440 50.9-105.9 -70.3 144.6 40.5 -5.5 71.0 170 171 A P - 0 0 24 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.310 17.9-121.7 -70.7 155.7 42.7 -8.1 69.4 171 172 A E S S+ 0 0 129 1,-0.2 9,-1.6 8,-0.1 2,-0.4 0.827 101.8 20.0 -65.0 -31.5 45.1 -7.2 66.6 172 173 A L B S-C 179 0B 109 7,-0.2 -1,-0.2 8,-0.1 6,-0.1 -0.998 86.7-115.4-140.5 134.3 43.3 -9.7 64.3 173 174 A C > - 0 0 2 5,-3.0 4,-1.9 -2,-0.4 5,-0.1 -0.544 22.3-145.7 -67.5 126.1 39.8 -11.1 64.6 174 175 A P T 4 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.661 94.5 46.2 -69.3 -13.4 40.3 -14.8 65.2 175 176 A A T 4 S+ 0 0 68 3,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.887 130.7 13.4 -94.3 -48.0 37.2 -15.6 63.2 176 177 A C T 4 S- 0 0 30 2,-0.1 -3,-0.0 3,-0.0 -1,-0.0 0.437 90.3-129.9-110.0 -1.4 37.4 -13.4 60.0 177 178 A A < + 0 0 70 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 0.633 56.6 144.8 63.0 15.3 41.1 -12.4 60.3 178 179 A H - 0 0 68 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.2 -0.510 53.9 -92.1 -81.5 156.4 40.2 -8.7 59.8 179 180 A P B > -C 172 0B 63 0, 0.0 3,-2.2 0, 0.0 -7,-0.2 -0.120 36.7 -97.5 -66.5 163.1 42.3 -6.1 61.6 180 181 A K G > S+ 0 0 60 -9,-1.6 3,-2.5 1,-0.3 -8,-0.1 0.746 111.4 83.4 -47.4 -31.7 41.6 -4.5 65.0 181 182 A A G 3 S+ 0 0 16 1,-0.3 -142,-2.0 -10,-0.2 -141,-0.5 0.688 83.0 60.9 -49.1 -24.2 40.1 -1.6 63.2 182 183 A H G < S+ 0 0 18 -3,-2.2 -24,-2.9 -143,-0.2 -1,-0.3 0.543 84.8 100.9 -85.6 -7.8 36.8 -3.5 63.0 183 184 A F E < +B 157 0A 2 -3,-2.5 -143,-0.3 -26,-0.2 2,-0.3 -0.495 40.4 168.5 -85.6 150.5 36.2 -3.9 66.7 184 185 A E E -B 156 0A 15 -28,-1.8 -28,-3.0 -2,-0.2 2,-0.3 -0.903 47.9 -78.4-145.1 167.0 33.9 -1.9 69.0 185 186 A L E -B 155 0A 57 -2,-0.3 -30,-0.3 -30,-0.2 2,-0.1 -0.568 60.6-100.5 -70.9 134.5 32.6 -2.3 72.5 186 187 A L - 0 0 56 -32,-3.0 2,-0.4 -2,-0.3 -32,-0.2 -0.389 47.8-158.2 -58.2 124.1 29.8 -4.9 72.5 187 188 A G - 0 0 42 -2,-0.1 2,-0.4 -3,-0.0 -1,-0.1 -0.868 19.4-174.2-113.5 144.5 26.5 -2.9 72.5 188 189 A I + 0 0 116 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.873 13.3 162.1-137.4 101.3 23.0 -4.0 73.6 189 190 A N 0 0 141 -2,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.611 360.0 360.0-120.1 70.5 20.2 -1.5 73.0 190 191 A W 0 0 250 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.941 360.0 360.0-171.8 360.0 17.0 -3.6 73.2