==== 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 25-APR-02 1LKP . 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) . 10754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 73.2 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 54.2 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 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 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 0 180 0, 0.0 2,-0.0 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 171.6 -0.5 29.3 55.4 2 3 A S - 0 0 62 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.290 360.0-154.4 -63.9 143.4 1.8 30.2 52.5 3 4 A L > + 0 0 6 59,-0.2 3,-2.7 5,-0.1 6,-0.4 0.624 49.0 135.2 -90.1 -17.8 5.5 30.5 53.2 4 5 A K T 3 S- 0 0 113 1,-0.3 3,-0.1 5,-0.1 -2,-0.0 -0.012 79.9 -4.3 -38.5 121.0 6.0 32.8 50.2 5 6 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.447 100.4 131.1 73.0 1.5 8.2 35.8 51.0 6 7 A S <> - 0 0 13 -3,-2.7 4,-1.1 1,-0.1 -1,-0.2 -0.375 67.9-122.9 -83.4 164.4 8.5 35.0 54.7 7 8 A R H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 112.7 60.8 -72.1 -33.5 11.8 34.9 56.6 8 9 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.875 98.2 55.7 -60.8 -39.5 11.0 31.3 57.5 9 10 A E H > S+ 0 0 10 -6,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.941 110.4 46.1 -58.4 -46.0 10.9 30.3 53.8 10 11 A K H X S+ 0 0 74 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.900 112.1 51.0 -62.1 -42.6 14.5 31.7 53.6 11 12 A N H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.871 106.7 53.8 -65.5 -37.5 15.5 29.9 56.8 12 13 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.939 111.5 44.9 -62.6 -45.8 14.2 26.6 55.6 13 14 A L H X S+ 0 0 34 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.890 112.6 52.2 -65.7 -37.0 16.2 26.8 52.4 14 15 A T H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 111.4 46.5 -63.7 -43.4 19.3 28.0 54.4 15 16 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.908 110.6 53.4 -64.5 -42.0 18.9 24.9 56.7 16 17 A F H X S+ 0 0 50 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 108.5 49.9 -59.6 -42.1 18.4 22.7 53.6 17 18 A A H X S+ 0 0 21 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.908 114.1 44.7 -63.8 -42.6 21.7 24.0 52.2 18 19 A G H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.902 112.7 50.6 -68.3 -42.5 23.5 23.4 55.4 19 20 A E H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.909 109.9 52.0 -60.3 -43.1 22.0 19.9 55.9 20 21 A S H X S+ 0 0 44 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.894 111.1 45.5 -61.7 -43.6 23.0 19.0 52.4 21 22 A Q H X S+ 0 0 64 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.886 109.6 55.6 -68.7 -37.9 26.6 20.1 52.9 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.890 103.4 56.0 -61.3 -39.6 26.8 18.3 56.2 23 24 A R H X S+ 0 0 94 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.947 110.8 43.4 -58.1 -49.1 25.7 15.0 54.5 24 25 A N H X S+ 0 0 81 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.952 113.6 50.5 -62.3 -50.3 28.6 15.2 52.1 25 26 A R H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.920 110.5 49.5 -55.2 -46.4 31.2 16.2 54.7 26 27 A Y H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.854 108.6 52.1 -64.7 -34.3 30.1 13.4 57.0 27 28 A N H X S+ 0 0 60 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.910 111.7 47.4 -68.3 -37.7 30.4 10.8 54.2 28 29 A Y H X S+ 0 0 119 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 111.8 49.3 -67.2 -43.2 33.9 12.0 53.4 29 30 A F H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.845 107.5 56.9 -63.5 -32.7 34.9 11.9 57.1 30 31 A G H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.921 106.5 47.9 -63.8 -43.5 33.4 8.4 57.2 31 32 A G H X S+ 0 0 34 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.896 112.1 49.9 -63.8 -38.6 35.8 7.3 54.4 32 33 A Q H X S+ 0 0 42 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.876 106.5 55.4 -67.4 -37.3 38.7 8.9 56.3 33 34 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.878 106.3 51.7 -62.8 -37.3 37.7 7.2 59.5 34 35 A K H ><5S+ 0 0 129 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.923 109.5 49.3 -65.4 -42.1 37.9 3.8 57.6 35 36 A K H 3<5S+ 0 0 165 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.849 108.4 54.2 -64.6 -33.8 41.4 4.8 56.4 36 37 A D T 3<5S- 0 0 59 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.411 122.0-106.8 -81.2 2.1 42.4 5.7 59.9 37 38 A G T < 5S+ 0 0 23 -3,-1.4 2,-0.4 -4,-0.2 -3,-0.2 0.819 81.3 124.4 79.3 32.0 41.3 2.2 61.2 38 39 A F >< + 0 0 38 -5,-2.6 4,-2.3 1,-0.2 5,-0.1 -0.743 24.7 167.1-124.3 82.5 38.1 3.2 63.0 39 40 A V H > S+ 0 0 14 142,-1.8 4,-2.7 -2,-0.4 5,-0.2 0.917 76.6 49.7 -64.9 -46.2 35.2 1.1 61.6 40 41 A Q H > S+ 0 0 58 141,-0.6 4,-1.8 143,-0.3 -1,-0.2 0.941 114.9 46.0 -58.4 -45.4 32.6 1.9 64.2 41 42 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 110.4 54.1 -64.3 -38.1 33.3 5.6 63.9 42 43 A S H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.931 110.0 46.2 -61.6 -45.5 33.3 5.3 60.1 43 44 A D H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.830 109.7 55.5 -67.5 -30.1 29.8 3.7 60.2 44 45 A I H X S+ 0 0 25 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.908 107.3 48.9 -67.9 -41.9 28.7 6.4 62.7 45 46 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 112.7 48.8 -62.1 -43.4 29.7 9.1 60.3 46 47 A A H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.910 112.3 47.2 -63.3 -43.5 27.8 7.3 57.5 47 48 A E H X S+ 0 0 83 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.915 111.3 51.2 -65.2 -42.0 24.7 6.9 59.6 48 49 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 108.1 53.0 -61.3 -40.6 24.8 10.5 60.7 49 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.923 108.2 50.5 -59.5 -45.1 25.1 11.6 57.0 50 51 A D H X S+ 0 0 63 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.849 109.7 50.8 -62.3 -34.3 22.0 9.5 56.2 51 52 A Q H X S+ 0 0 72 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.865 106.7 52.9 -73.7 -33.4 20.1 11.2 59.0 52 53 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.859 104.2 58.4 -67.1 -32.6 21.1 14.7 57.8 53 54 A R H X S+ 0 0 90 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.895 107.4 47.3 -60.9 -37.8 19.7 13.5 54.4 54 55 A E H X S+ 0 0 87 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.828 108.6 51.8 -74.4 -33.7 16.4 13.0 56.3 55 56 A H H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 112.4 48.7 -64.7 -45.3 16.5 16.3 58.1 56 57 A A H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.883 108.5 53.0 -60.5 -40.8 17.0 17.9 54.6 57 58 A K H X S+ 0 0 119 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.912 108.2 49.4 -63.2 -43.3 14.2 15.9 53.1 58 59 A R H X S+ 0 0 113 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.927 115.7 44.0 -61.0 -44.8 11.7 17.1 55.8 59 60 A L H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.8 0.926 110.6 54.4 -65.4 -45.8 12.8 20.7 55.2 60 61 A F H >< S+ 0 0 116 -4,-3.2 3,-1.0 1,-0.3 -1,-0.2 0.880 101.6 59.5 -56.2 -41.3 12.7 20.3 51.4 61 62 A K H 3< S+ 0 0 157 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.659 96.9 60.8 -65.4 -17.1 9.1 19.1 51.5 62 63 A F H << S+ 0 0 37 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.776 84.8 99.3 -79.5 -27.3 7.9 22.3 53.1 63 64 A L << - 0 0 42 -3,-1.0 3,-0.1 -4,-0.8 -54,-0.0 -0.210 63.1-150.1 -62.9 150.8 9.1 24.5 50.2 64 65 A E - 0 0 90 1,-0.3 -1,-0.1 2,-0.0 -3,-0.1 0.250 47.6 -94.2-108.2 11.3 6.6 25.6 47.6 65 66 A G S S+ 0 0 49 1,-0.2 -1,-0.3 3,-0.0 2,-0.1 -0.120 71.5 90.1 100.2 162.8 8.8 25.9 44.5 66 67 A G S S- 0 0 73 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.092 76.4 -67.9 94.9 163.0 10.8 28.5 42.6 67 68 A D - 0 0 177 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.778 50.2-170.0 -92.7 133.0 14.4 29.7 42.9 68 69 A L - 0 0 55 -2,-0.4 2,-0.4 -58,-0.0 -2,-0.0 -0.978 16.4-134.7-128.5 136.2 15.3 31.5 46.1 69 70 A E - 0 0 158 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.702 25.4-176.4 -89.4 136.2 18.5 33.4 47.0 70 71 A I - 0 0 50 -2,-0.4 2,-0.5 -57,-0.1 -59,-0.0 -0.930 18.9-148.6-130.7 155.1 20.1 32.9 50.4 71 72 A V + 0 0 137 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.976 39.0 135.7-125.3 114.3 23.1 34.4 52.2 72 73 A A - 0 0 46 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.993 46.2-120.0-156.7 158.6 24.9 32.1 54.5 73 74 A A - 0 0 99 -2,-0.3 -2,-0.0 3,-0.0 0, 0.0 -0.803 29.8-178.1-103.1 144.1 28.4 31.0 55.6 74 75 A F - 0 0 76 -2,-0.3 2,-0.5 -53,-0.0 -56,-0.0 -0.952 39.1 -86.6-139.2 157.6 29.6 27.4 55.4 75 76 A P - 0 0 72 0, 0.0 2,-1.7 0, 0.0 3,-0.0 -0.511 34.0-150.2 -67.2 115.1 32.8 25.5 56.3 76 77 A A - 0 0 104 -2,-0.5 2,-0.1 2,-0.0 -3,-0.0 -0.628 54.7 -69.2 -86.8 81.3 35.1 25.8 53.3 77 78 A G + 0 0 46 -2,-1.7 -52,-0.0 1,-0.1 2,-0.0 -0.414 49.6 161.5 95.4-178.7 36.8 22.4 53.9 78 79 A I - 0 0 124 -2,-0.1 2,-0.6 -53,-0.0 -1,-0.1 0.693 12.6-175.3-139.7 173.9 38.5 20.5 55.2 79 80 A I + 0 0 95 -51,-0.0 2,-0.2 -2,-0.0 3,-0.1 -0.932 36.1 148.1-106.5 119.8 39.2 16.7 55.5 80 81 A A - 0 0 30 -2,-0.6 -48,-0.0 1,-0.3 5,-0.0 -0.415 52.9 -39.2-127.8-156.1 41.8 16.0 58.2 81 82 A D > - 0 0 87 -2,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.296 64.5-104.4 -68.3 161.1 42.6 13.2 60.6 82 83 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 119.1 53.2 -58.3 -42.0 39.6 11.5 62.2 83 84 A H H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.958 112.6 45.4 -58.9 -47.8 40.0 13.1 65.6 84 85 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.886 112.0 51.8 -61.7 -39.8 40.0 16.6 63.9 85 86 A N H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.874 108.7 50.9 -65.8 -36.9 37.1 15.7 61.8 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.908 111.2 48.4 -66.0 -41.9 35.1 14.6 64.8 87 88 A I H X S+ 0 0 77 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.917 113.2 46.7 -64.1 -43.9 35.9 17.9 66.6 88 89 A A H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.908 112.7 49.8 -65.4 -42.0 34.9 19.9 63.5 89 90 A S H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.920 109.1 51.7 -63.1 -43.7 31.7 17.9 63.1 90 91 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.880 107.9 52.4 -60.6 -38.2 30.8 18.4 66.7 91 92 A A H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.878 109.3 50.0 -65.7 -36.4 31.3 22.2 66.4 92 93 A G H X S+ 0 0 25 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.925 111.4 47.3 -66.8 -45.5 29.0 22.2 63.4 93 94 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.930 109.6 55.9 -59.7 -45.6 26.3 20.2 65.3 94 95 A H H X S+ 0 0 80 -4,-2.7 4,-2.1 1,-0.2 5,-0.4 0.893 106.5 48.1 -55.0 -46.6 26.8 22.6 68.2 95 96 A H H X>S+ 0 0 107 -4,-2.0 4,-2.1 1,-0.2 5,-2.0 0.912 111.6 52.6 -62.7 -40.9 26.1 25.7 66.1 96 97 A E H <>S+ 0 0 16 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.919 117.1 33.8 -62.0 -47.8 23.0 24.1 64.7 97 98 A Y H <5S+ 0 0 37 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.727 126.1 39.1 -85.7 -19.4 21.3 23.1 68.0 98 99 A T H <5S+ 0 0 45 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.825 134.6 5.6 -96.2 -35.3 22.4 26.1 70.1 99 100 A E T X5S+ 0 0 106 -4,-2.1 4,-1.8 -5,-0.4 -3,-0.2 0.818 123.9 41.3-112.7 -64.6 22.1 28.9 67.6 100 101 A M H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.921 114.6 46.2 -64.1 -37.1 16.5 27.6 68.0 103 104 A S H X S+ 0 0 58 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 113.0 48.1 -67.6 -45.2 16.6 30.9 66.1 104 105 A F H X S+ 0 0 23 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 112.1 51.1 -62.2 -38.6 14.8 29.6 63.1 105 106 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.921 109.6 48.8 -64.6 -45.3 12.2 28.0 65.3 106 107 A R H X S+ 0 0 156 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.904 112.7 48.1 -62.4 -42.1 11.6 31.3 67.2 107 108 A I H X S+ 0 0 29 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.899 110.9 51.5 -65.9 -39.5 11.2 33.2 63.9 108 109 A A H X>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 4,-0.5 0.926 110.2 48.5 -63.0 -44.8 8.9 30.5 62.6 109 110 A R H ><5S+ 0 0 97 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.916 110.8 51.7 -61.1 -42.5 6.7 30.7 65.7 110 111 A E H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 110.3 47.8 -64.8 -30.8 6.7 34.5 65.4 111 112 A E H 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.446 123.2-103.5 -89.5 -1.1 5.5 34.4 61.8 112 113 A G T <<5S+ 0 0 42 -3,-1.1 2,-0.7 -4,-0.5 -3,-0.2 0.705 80.5 129.4 89.7 20.8 2.8 31.8 62.6 113 114 A Y >< + 0 0 23 -5,-3.1 4,-2.3 1,-0.2 5,-0.2 -0.653 21.4 162.6-107.8 74.1 4.4 28.6 61.3 114 115 A E H > S+ 0 0 100 -2,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.870 71.5 50.4 -60.3 -43.5 3.9 26.4 64.3 115 116 A E H > S+ 0 0 116 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