==== 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 20-JAN-00 1DVB . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR L.C.SIEKER,M.HOLMES,I.LE TRONG,S.TURLEY,M.Y.LIU,J.LEGALL,R.E . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 72.3 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 . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 6 3.1 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 . 102 53.4 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 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 1 A M 0 0 128 0, 0.0 113,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 117.6 -24.0 28.2 8.1 2 2 A K - 0 0 127 1,-0.4 2,-0.3 111,-0.0 111,-0.0 0.571 360.0 -41.2 -85.3-126.4 -24.8 30.0 4.9 3 3 A S - 0 0 56 2,-0.1 -1,-0.4 1,-0.0 0, 0.0 -0.683 45.6-143.2-104.8 151.7 -22.4 30.0 2.0 4 4 A L > + 0 0 0 -2,-0.3 3,-2.2 59,-0.2 6,-0.4 0.632 58.2 123.6 -91.5 -30.0 -18.7 30.3 2.6 5 5 A K T 3 S+ 0 0 99 1,-0.3 -2,-0.1 5,-0.1 3,-0.1 -0.140 83.0 3.7 -44.8 120.1 -17.8 32.4 -0.4 6 6 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.044 100.7 123.6 92.7 -18.2 -16.2 35.7 0.4 7 7 A S S <> S- 0 0 20 -3,-2.2 4,-0.9 1,-0.1 -1,-0.3 -0.106 71.9-122.3 -64.4 164.7 -16.0 34.9 4.1 8 8 A R H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.879 113.9 61.4 -72.9 -36.0 -12.8 35.0 6.1 9 9 A T H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.880 96.8 63.5 -55.9 -34.0 -13.4 31.4 7.2 10 10 A E H > S+ 0 0 5 -6,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.956 106.9 39.1 -59.0 -50.3 -13.3 30.6 3.4 11 11 A K H X S+ 0 0 101 -4,-0.9 4,-1.9 -3,-0.3 -1,-0.3 0.831 112.6 58.8 -71.0 -25.3 -9.7 31.7 3.2 12 12 A N H X S+ 0 0 25 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.955 105.2 49.2 -68.4 -43.2 -8.9 30.1 6.6 13 13 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.951 112.4 47.4 -59.7 -47.7 -10.1 26.6 5.3 14 14 A L H X S+ 0 0 38 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.886 111.3 51.8 -64.4 -30.0 -7.9 26.9 2.2 15 15 A T H X S+ 0 0 24 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.961 111.9 44.7 -72.7 -39.8 -5.0 28.0 4.2 16 16 A A H X S+ 0 0 1 -4,-2.6 4,-4.0 2,-0.2 5,-0.4 0.963 112.1 52.7 -63.2 -52.0 -5.3 25.1 6.6 17 17 A F H X S+ 0 0 49 -4,-2.8 4,-2.0 -5,-0.2 5,-0.3 0.915 110.0 51.8 -46.6 -41.6 -5.8 22.7 3.6 18 18 A A H X S+ 0 0 22 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.915 113.3 40.3 -70.2 -38.9 -2.6 24.2 2.2 19 19 A G H X S+ 0 0 16 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.893 114.9 52.0 -80.8 -36.9 -0.5 23.7 5.2 20 20 A E H X S+ 0 0 2 -4,-4.0 4,-2.3 2,-0.2 5,-0.2 0.900 107.8 53.5 -61.8 -35.2 -1.9 20.2 5.9 21 21 A S H X S+ 0 0 45 -4,-2.0 4,-1.7 -5,-0.4 -1,-0.2 0.923 110.9 46.3 -63.4 -40.2 -1.2 19.1 2.3 22 22 A Q H X S+ 0 0 68 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.893 108.3 56.8 -73.0 -24.4 2.4 20.1 2.7 23 23 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.908 100.6 56.9 -73.9 -37.6 2.5 18.4 6.0 24 24 A R H X S+ 0 0 93 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.950 110.1 46.2 -53.0 -47.3 1.5 15.1 4.5 25 25 A N H X S+ 0 0 79 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.972 112.1 48.1 -64.0 -48.7 4.4 15.3 2.1 26 26 A R H X S+ 0 0 44 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.939 112.0 49.7 -62.3 -38.2 7.0 16.3 4.7 27 27 A Y H X S+ 0 0 1 -4,-3.2 4,-3.2 1,-0.2 -1,-0.2 0.933 110.4 51.5 -64.5 -40.3 5.9 13.6 7.1 28 28 A N H X S+ 0 0 62 -4,-2.7 4,-1.7 -5,-0.3 5,-0.2 0.954 112.7 45.2 -60.2 -42.5 6.1 11.1 4.2 29 29 A Y H X S+ 0 0 118 -4,-3.4 4,-2.1 -5,-0.2 5,-0.2 0.933 112.1 51.6 -70.8 -31.4 9.6 12.3 3.4 30 30 A F H X S+ 0 0 7 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.918 104.2 58.2 -68.5 -35.7 10.5 12.2 7.1 31 31 A G H X S+ 0 0 5 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.922 106.3 48.4 -55.8 -41.1 9.3 8.6 7.3 32 32 A G H X S+ 0 0 42 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.913 111.5 49.4 -69.3 -39.5 11.8 7.6 4.5 33 33 A Q H X S+ 0 0 60 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.917 108.6 53.5 -65.8 -35.0 14.6 9.3 6.2 34 34 A A H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 4,-0.8 0.975 107.0 51.3 -63.1 -45.1 13.7 7.5 9.5 35 35 A K H ><5S+ 0 0 105 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.865 110.2 50.0 -57.8 -31.8 13.8 4.2 7.8 36 36 A K H 3<5S+ 0 0 149 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 106.4 54.3 -75.6 -31.6 17.2 5.1 6.5 37 37 A D H 3<5S- 0 0 61 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.505 123.5-105.0 -74.4 -10.2 18.4 6.1 10.0 38 38 A G T <<5S+ 0 0 22 -4,-0.8 2,-0.4 -3,-0.6 -3,-0.2 0.754 84.2 120.7 85.2 35.0 17.3 2.7 11.3 39 39 A F >< + 0 0 35 -5,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.779 26.7 168.7-125.7 78.0 14.1 3.5 13.1 40 40 A V H > S+ 0 0 15 142,-1.5 4,-2.8 -2,-0.4 5,-0.2 0.906 77.1 53.5 -60.8 -43.7 11.3 1.5 11.4 41 41 A Q H > S+ 0 0 52 141,-0.7 4,-1.4 143,-0.3 -1,-0.2 0.945 111.8 45.5 -62.0 -38.7 8.7 2.0 14.1 42 42 A I H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.868 109.3 57.4 -67.7 -36.6 9.3 5.8 13.8 43 43 A S H X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.950 107.0 47.9 -56.3 -53.0 9.2 5.5 10.0 44 44 A D H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.874 108.4 53.7 -62.2 -26.6 5.7 3.9 10.2 45 45 A I H X S+ 0 0 19 -4,-1.4 4,-3.4 -5,-0.2 5,-0.2 0.936 107.3 50.8 -77.9 -36.6 4.4 6.6 12.6 46 46 A F H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.989 113.1 47.6 -51.7 -56.4 5.5 9.4 10.2 47 47 A A H X S+ 0 0 35 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.903 112.5 48.3 -58.0 -37.2 3.7 7.5 7.5 48 48 A E H X S+ 0 0 80 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.947 111.7 48.5 -65.8 -42.9 0.7 7.1 9.7 49 49 A T H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 5,-0.3 0.945 107.7 57.1 -59.6 -44.6 0.6 10.8 10.6 50 50 A A H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.943 108.5 47.1 -44.9 -50.1 1.0 11.6 6.8 51 51 A D H X S+ 0 0 67 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.920 109.3 51.8 -68.7 -35.4 -2.2 9.7 6.2 52 52 A Q H X S+ 0 0 76 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.851 106.4 55.7 -69.0 -32.7 -4.1 11.3 9.0 53 53 A E H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.893 103.1 55.8 -61.7 -35.7 -3.1 14.7 7.6 54 54 A R H X S+ 0 0 93 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.895 108.0 49.0 -62.1 -31.5 -4.6 13.7 4.3 55 55 A E H X S+ 0 0 77 -4,-1.0 4,-1.7 -3,-0.2 -1,-0.2 0.790 108.0 50.2 -87.4 -25.4 -7.8 13.0 6.1 56 56 A H H X S+ 0 0 28 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.941 112.4 51.0 -66.0 -45.1 -7.9 16.3 8.0 57 57 A A H X S+ 0 0 5 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.926 107.4 53.7 -58.1 -42.2 -7.3 18.0 4.6 58 58 A K H X S+ 0 0 112 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.954 106.3 48.9 -65.2 -42.7 -10.1 16.0 3.1 59 59 A R H < S+ 0 0 108 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.946 117.3 44.7 -59.3 -41.9 -12.8 17.1 5.6 60 60 A L H >X S+ 0 0 0 -4,-2.1 3,-4.1 2,-0.2 4,-0.6 0.983 109.8 52.2 -61.7 -59.0 -11.7 20.7 5.2 61 61 A F H >< S+ 0 0 119 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.871 101.4 64.3 -48.3 -39.3 -11.5 20.6 1.3 62 62 A K T 3< S+ 0 0 138 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.729 91.9 62.5 -63.8 -11.6 -15.0 19.3 1.3 63 63 A F T <4 S+ 0 0 34 -3,-4.1 -1,-0.2 -4,-0.3 -2,-0.2 0.820 83.5 98.0 -82.0 -20.7 -16.3 22.5 2.8 64 64 A L << + 0 0 45 -3,-1.2 -54,-0.0 -4,-0.6 -3,-0.0 -0.252 40.3 174.1 -67.5 141.3 -15.2 24.6 -0.2 65 65 A E + 0 0 91 -2,-0.0 -1,-0.1 2,-0.0 -3,-0.0 0.309 50.6 106.8-122.0 9.2 -17.7 25.4 -2.8 66 66 A G - 0 0 45 1,-0.2 3,-0.1 -56,-0.1 2,-0.1 0.137 61.3-128.3 -95.5-168.7 -15.5 27.7 -4.7 67 67 A G S S- 0 0 65 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.200 73.2 -25.9-106.4-141.9 -13.2 28.7 -7.6 68 68 A D - 0 0 173 -2,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.676 64.0-172.9 -80.8 139.5 -9.6 30.0 -7.4 69 69 A L - 0 0 49 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.0 -0.983 17.3-134.0-144.5 129.0 -8.8 31.8 -4.1 70 70 A E - 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.542 24.8-175.6 -81.3 134.9 -5.6 33.8 -3.2 71 71 A I - 0 0 55 -2,-0.2 2,-0.4 -57,-0.1 -59,-0.0 -0.962 19.4-151.3-134.8 156.2 -3.9 33.3 0.2 72 72 A V + 0 0 143 -2,-0.3 2,-0.3 2,-0.0 -57,-0.0 -0.989 40.4 134.3-119.3 128.4 -1.0 34.8 2.1 73 73 A A - 0 0 48 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.972 46.4-117.8-174.4 160.5 0.8 32.5 4.5 74 74 A A + 0 0 91 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.824 28.0 175.6-110.4 147.2 4.0 31.2 5.7 75 75 A F - 0 0 79 -2,-0.3 2,-0.2 -53,-0.0 -2,-0.0 -0.970 41.6 -86.8-146.6 155.0 5.4 27.7 5.5 76 76 A P - 0 0 73 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.508 32.8-147.7 -64.6 135.3 8.6 25.9 6.3 77 77 A A - 0 0 107 -2,-0.2 2,-0.2 2,-0.0 -3,-0.0 -0.748 55.3 -63.4-101.8 78.9 11.0 26.1 3.4 78 78 A G + 0 0 46 -2,-0.9 2,-0.0 1,-0.1 -52,-0.0 -0.635 51.0 156.2 106.1-176.7 12.7 22.8 3.9 79 79 A I - 0 0 123 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.709 12.0-176.9-139.9 163.8 14.3 21.0 5.3 80 80 A I + 0 0 84 -2,-0.0 2,-0.1 -51,-0.0 3,-0.1 -0.912 34.6 154.0-106.9 118.3 15.0 17.2 5.6 81 81 A A - 0 0 31 -2,-0.6 -48,-0.0 1,-0.3 5,-0.0 -0.421 50.3 -45.5-116.9-163.5 17.5 16.5 8.4 82 82 A D > - 0 0 87 -2,-0.1 4,-3.0 1,-0.1 -1,-0.3 -0.083 65.7 -99.8 -60.1 163.1 18.4 13.6 10.6 83 83 A T H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 119.9 53.8 -60.6 -46.9 15.5 11.9 12.4 84 84 A H H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.961 113.2 43.9 -47.9 -56.6 15.8 13.6 15.7 85 85 A A H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.917 112.0 54.7 -58.0 -41.0 15.7 17.0 14.0 86 86 A N H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.910 107.9 48.9 -59.7 -40.3 12.9 15.8 11.9 87 87 A L H X S+ 0 0 0 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.886 112.0 49.0 -70.9 -30.0 10.9 14.9 14.9 88 88 A I H X S+ 0 0 76 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.915 110.5 48.2 -75.1 -44.0 11.6 18.3 16.5 89 89 A A H X S+ 0 0 62 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.927 112.4 51.5 -58.7 -40.2 10.6 20.4 13.5 90 90 A S H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.944 109.8 48.1 -62.2 -41.3 7.4 18.4 13.2 91 91 A A H X S+ 0 0 2 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.923 107.0 56.4 -66.9 -40.6 6.5 18.9 16.8 92 92 A A H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 110.8 44.1 -60.9 -34.5 7.1 22.6 16.6 93 93 A G H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.868 110.5 52.1 -84.0 -30.1 4.6 22.9 13.7 94 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.4 0.917 110.1 54.2 -62.9 -40.7 2.1 20.7 15.3 95 95 A H H X S+ 0 0 75 -4,-2.7 4,-2.7 -5,-0.3 5,-0.5 0.969 106.5 46.9 -56.9 -55.1 2.5 23.0 18.2 96 96 A H H X>S+ 0 0 94 -4,-2.2 4,-2.8 1,-0.2 5,-2.0 0.911 112.6 54.6 -55.6 -41.9 1.9 26.3 16.4 97 97 A E H <>S+ 0 0 20 -4,-2.1 5,-2.7 3,-0.2 -1,-0.2 0.899 113.9 33.5 -59.9 -46.2 -1.1 24.7 14.9 98 98 A Y H <5S+ 0 0 35 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.812 126.4 41.2 -87.5 -28.2 -3.1 23.5 18.0 99 99 A T H <5S+ 0 0 54 -4,-2.7 -2,-0.2 -5,-0.4 -3,-0.2 0.901 135.4 5.9 -85.5 -36.1 -2.0 26.3 20.2 100 100 A E T X5S+ 0 0 111 -4,-2.8 4,-1.7 -5,-0.5 5,-0.2 0.811 121.7 42.6-108.0 -55.8 -2.4 29.1 17.6 101 101 A M H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.969 112.6 42.8 -51.9 -51.2 -8.0 28.1 17.9 104 104 A S H X S+ 0 0 42 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.958 112.3 50.3 -53.0 -57.2 -8.2 31.3 15.9 105 105 A F H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.832 111.3 51.0 -53.9 -33.6 -9.7 29.8 12.8 106 106 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.909 107.4 54.2 -71.4 -40.1 -12.3 28.2 15.0 107 107 A R H X S+ 0 0 110 -4,-2.2 4,-3.5 -5,-0.2 -2,-0.2 0.931 111.9 41.9 -50.6 -59.1 -13.1 31.5 16.7 108 108 A I H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.844 111.4 54.0 -63.0 -39.7 -13.8 33.3 13.4 109 109 A A H <>S+ 0 0 0 -4,-1.8 5,-3.8 -5,-0.3 4,-0.3 0.966 115.7 43.0 -54.1 -50.6 -15.8 30.4 11.9 110 110 A R H ><5S+ 0 0 122 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.935 114.4 49.6 -52.0 -58.3 -17.8 30.6 15.1 111 111 A E H 3<5S+ 0 0 128 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.750 110.7 50.4 -63.6 -22.3 -17.9 34.3 14.9 112 112 A E T 3<5S- 0 0 36 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.459 126.2 -94.6 -98.0 7.8 -19.0 34.3 11.3 113 113 A G T < 5S+ 0 0 32 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.711 92.2 117.1 100.0 10.4 -21.9 31.9 11.8 114 114 A Y >< + 0 0 9 -5,-3.8 4,-1.2 -6,-0.2 -1,-0.2 -0.747 24.3 156.1-114.3 83.6 -20.1 28.7 11.0 115 115 A E H > + 0 0 106 -2,-0.7 4,-2.5 2,-0.2 -1,-0.2 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