==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDENUM COFACTOR BIOSYNTHESIS 27-FEB-03 1HJJ . COMPND 2 MOLECULE: MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GUSE,C.E.M.STEVENSON,J.KUPER,G.BUCHANAN,G.SCHWARZ, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.0 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 . 2 1.1 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 . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 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 M 0 0 158 0, 0.0 2,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 -43.2 7.4 -6.5 52.3 2 5 A T - 0 0 65 1,-0.1 88,-0.3 42,-0.0 3,-0.1 -0.501 360.0-122.2 -85.7 167.8 10.0 -3.8 52.7 3 6 A T S S+ 0 0 105 1,-0.2 88,-0.7 -2,-0.1 2,-0.4 0.896 88.4 27.6 -81.9 -45.0 9.0 -0.2 52.9 4 7 A I E -a 91 0A 14 86,-0.1 2,-0.5 85,-0.1 42,-0.4 -0.990 66.7-149.5-122.5 127.1 10.8 1.6 50.1 5 8 A T E -a 92 0A 6 86,-2.7 88,-2.5 -2,-0.4 2,-0.3 -0.846 20.0-135.4 -88.7 127.3 12.0 -0.1 46.8 6 9 A G E -ab 93 47A 0 40,-2.8 42,-2.4 -2,-0.5 2,-0.4 -0.649 21.9-166.7 -79.7 141.6 15.2 1.4 45.4 7 10 A V E -ab 94 48A 0 86,-3.0 88,-2.0 -2,-0.3 2,-0.6 -0.961 14.4-154.2-135.7 123.4 15.2 2.1 41.7 8 11 A V E -ab 95 49A 0 40,-2.7 42,-3.1 -2,-0.4 2,-1.0 -0.789 15.7-147.2 -94.3 126.7 18.1 3.0 39.4 9 12 A L E +ab 96 50A 16 86,-2.6 88,-2.1 -2,-0.6 89,-0.2 -0.797 23.7 171.8 -94.8 100.4 16.9 4.9 36.4 10 13 A A - 0 0 13 40,-2.5 42,-0.3 -2,-1.0 13,-0.3 0.008 49.1-100.2-108.3 26.5 19.2 3.8 33.6 11 14 A G - 0 0 41 40,-0.1 41,-0.5 41,-0.1 -1,-0.3 0.200 29.2-130.7 99.4 161.7 17.2 5.5 30.8 12 15 A G + 0 0 36 39,-0.1 40,-0.1 40,-0.1 3,-0.1 -0.216 63.1 46.8-114.1-143.6 14.8 4.5 28.1 13 16 A K - 0 0 71 60,-0.2 55,-0.0 1,-0.2 59,-0.0 -0.191 49.3-150.4 57.9-111.2 14.4 5.0 24.3 14 17 A A - 0 0 38 4,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.769 25.0-178.4 84.5 58.0 17.5 4.5 22.1 15 18 A R S S+ 0 0 105 3,-0.2 2,-0.3 2,-0.2 -2,-0.1 0.482 77.6 27.2 -79.0 -13.3 16.0 7.2 19.8 16 19 A R S S- 0 0 78 2,-0.1 2,-1.4 0, 0.0 -2,-0.0 -0.860 140.4 -60.9-128.9 150.0 18.8 6.7 17.4 17 20 A M S S- 0 0 107 -2,-0.3 2,-2.7 1,-0.2 -2,-0.2 0.156 86.5 -88.5 -38.2 70.0 20.2 3.1 17.8 18 21 A G - 0 0 24 -2,-1.4 2,-0.3 -4,-0.1 -3,-0.2 -0.409 54.9-162.4 54.2 -71.0 21.0 4.0 21.4 19 22 A G + 0 0 55 -2,-2.7 2,-0.1 -5,-0.1 -2,-0.0 -0.727 64.4 15.6 79.7-146.9 24.4 5.5 20.9 20 23 A V - 0 0 96 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.308 68.0-143.5 -62.3 130.6 26.3 5.6 24.3 21 24 A D >> - 0 0 21 1,-0.2 3,-1.4 -2,-0.1 4,-0.5 -0.788 18.1-167.3 -91.4 95.4 24.7 3.5 27.1 22 25 A K G >4 S+ 0 0 64 -2,-1.1 3,-1.6 1,-0.3 10,-0.3 0.882 79.6 58.6 -59.8 -38.1 25.5 6.0 29.9 23 26 A G G 34 S+ 0 0 1 -13,-0.3 10,-2.4 1,-0.3 11,-0.4 0.789 104.5 52.1 -64.2 -24.3 24.7 3.6 32.8 24 27 A L G <4 S+ 0 0 34 -3,-1.4 -1,-0.3 7,-0.2 -2,-0.2 0.505 78.7 114.9 -92.7 -3.6 27.3 1.2 31.6 25 28 A L << - 0 0 37 -3,-1.6 7,-2.8 -4,-0.5 2,-0.4 -0.428 69.4-121.3 -61.4 141.0 30.2 3.7 31.4 26 29 A E E -G 31 0B 108 5,-0.2 2,-0.5 6,-0.1 3,-0.1 -0.756 25.2-170.2-102.8 132.3 32.7 2.7 34.0 27 30 A L E > S-G 30 0B 0 3,-2.8 3,-1.7 -2,-0.4 158,-0.1 -0.982 85.6 -17.0-115.2 117.9 34.0 4.7 36.9 28 31 A N T 3 S- 0 0 104 -2,-0.5 -1,-0.2 1,-0.3 160,-0.0 0.909 131.4 -49.9 44.9 48.3 37.0 3.0 38.5 29 32 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.410 122.1 99.2 83.7 -3.7 36.2 -0.3 36.8 30 33 A K E < S-G 27 0B 77 -3,-1.7 -3,-2.8 -5,-0.0 -1,-0.1 -0.970 79.2-110.2-125.6 127.6 32.5 -0.3 37.9 31 34 A P E >> -G 26 0B 29 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.192 27.8-122.0 -55.0 139.5 29.6 0.8 35.7 32 35 A L H 3> S+ 0 0 0 -7,-2.8 4,-1.9 -10,-0.3 5,-0.2 0.884 111.8 56.4 -49.9 -46.8 28.0 4.1 36.9 33 36 A W H 3> S+ 0 0 4 -10,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.864 105.5 52.6 -59.7 -33.0 24.6 2.4 37.3 34 37 A Q H <> S+ 0 0 22 -3,-0.7 4,-3.0 -11,-0.4 5,-0.2 0.849 103.0 56.9 -71.9 -32.1 26.2 -0.1 39.7 35 38 A H H X S+ 0 0 36 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.936 112.0 43.5 -56.5 -46.2 27.7 2.7 41.8 36 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 61,-0.3 -2,-0.2 0.915 113.9 49.8 -66.1 -46.4 24.2 4.0 42.2 37 40 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.900 110.6 49.8 -59.4 -42.9 22.7 0.5 42.9 38 41 A D H X S+ 0 0 49 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.893 110.1 51.1 -62.7 -39.0 25.4 -0.2 45.5 39 42 A A H X S+ 0 0 17 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.877 111.6 47.1 -68.3 -35.3 24.7 3.1 47.2 40 43 A L H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.9 0.904 107.5 56.6 -71.0 -39.8 21.0 2.3 47.3 41 44 A M H 3< S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.780 96.6 64.6 -64.4 -24.6 21.7 -1.2 48.6 42 45 A T H 3< S+ 0 0 108 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 119.1 24.4 -54.7 -38.3 23.6 0.3 51.6 43 46 A Q H << S+ 0 0 39 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.562 125.1 42.9-108.9 -11.5 20.3 1.8 52.6 44 47 A L < - 0 0 19 -4,-1.8 -1,-0.2 1,-0.1 3,-0.1 -1.000 59.5-146.8-139.5 143.7 17.6 -0.4 51.2 45 48 A S S S+ 0 0 111 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.840 87.6 52.5 -77.3 -30.0 17.2 -4.2 50.9 46 49 A H + 0 0 68 -42,-0.4 -40,-2.8 -6,-0.1 2,-0.4 -0.920 64.8 164.3-119.9 111.2 15.3 -4.3 47.6 47 50 A V E +b 6 0A 6 -2,-0.6 17,-0.5 -42,-0.2 2,-0.3 -0.983 6.6 176.5-128.8 138.1 16.8 -2.5 44.6 48 51 A V E -b 7 0A 0 -42,-2.4 -40,-2.7 -2,-0.4 2,-0.4 -0.824 19.7-132.5-130.6 173.4 15.9 -2.9 40.9 49 52 A V E -bc 8 65A 0 15,-2.5 17,-3.1 -2,-0.3 2,-0.6 -0.991 3.9-145.1-134.7 136.6 17.0 -1.1 37.7 50 53 A N E +bc 9 66A 4 -42,-3.1 -40,-2.5 -2,-0.4 2,-0.3 -0.892 37.8 151.2 -96.4 117.8 15.0 0.3 34.8 51 54 A A - 0 0 1 15,-1.4 -40,-0.1 -2,-0.6 -39,-0.1 -0.983 30.3-172.7-148.7 142.8 17.0 -0.2 31.6 52 55 A N S S+ 0 0 33 -41,-0.5 2,-0.3 -2,-0.3 3,-0.1 0.361 71.9 52.6-116.9 -3.5 15.7 -0.7 28.0 53 56 A R S S+ 0 0 48 -42,-0.2 5,-0.2 1,-0.1 -39,-0.0 -0.949 109.5 11.1-131.6 151.0 19.0 -1.5 26.3 54 57 A H S >> S+ 0 0 82 -2,-0.3 4,-1.9 1,-0.1 3,-1.3 0.828 70.7 167.4 54.9 38.4 21.7 -4.1 26.9 55 58 A Q H 3> + 0 0 50 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.831 69.0 58.0 -58.5 -37.7 19.4 -5.7 29.4 56 59 A E H 3> S+ 0 0 69 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.843 106.4 49.5 -59.0 -36.5 21.6 -8.9 29.6 57 60 A I H X4 S+ 0 0 100 -3,-1.3 3,-1.4 1,-0.2 4,-0.4 0.949 112.4 46.9 -69.2 -46.9 24.5 -6.7 30.7 58 61 A Y H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.3 5,-0.4 0.836 107.4 58.5 -60.0 -34.1 22.4 -5.0 33.4 59 62 A Q H >< S+ 0 0 105 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.3 0.672 84.2 87.6 -69.9 -14.5 21.1 -8.4 34.5 60 63 A A T << S+ 0 0 86 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.799 81.3 54.6 -58.7 -37.1 24.8 -9.5 35.2 61 64 A S T < S- 0 0 55 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.357 116.4-106.3 -88.5 12.4 24.9 -8.3 38.8 62 65 A G S < S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.547 75.9 126.9 87.7 5.2 21.8 -10.2 39.9 63 66 A L - 0 0 30 -5,-0.4 -1,-0.3 1,-0.1 2,-0.3 -0.701 68.1 -96.3 -94.8 154.6 19.3 -7.4 40.2 64 67 A K - 0 0 103 -17,-0.5 -15,-2.5 -2,-0.3 2,-0.6 -0.506 34.9-147.8 -64.4 129.6 15.8 -7.3 38.5 65 68 A V E -c 49 0A 19 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.898 10.5-161.2-104.4 120.8 15.9 -5.4 35.3 66 69 A I E -c 50 0A 1 -17,-3.1 -15,-1.4 -2,-0.6 2,-0.2 -0.878 4.0-156.7-106.1 124.8 12.6 -3.6 34.4 67 70 A E - 0 0 84 -2,-0.5 -15,-0.1 -17,-0.2 2,-0.1 -0.684 25.0-100.3-100.1 150.9 11.9 -2.5 30.8 68 71 A D - 0 0 35 -2,-0.2 11,-0.1 1,-0.1 -1,-0.1 -0.399 40.4-100.2 -68.1 146.5 9.5 0.3 29.7 69 72 A S > - 0 0 38 9,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.224 34.7-108.2 -59.6 152.8 6.0 -0.4 28.4 70 73 A L T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.594 106.1 90.5 -65.1 -8.3 5.5 -0.3 24.6 71 74 A A T 3 S- 0 0 41 1,-0.1 -1,-0.3 7,-0.1 -2,-0.0 0.748 82.9-150.9 -55.5 -25.7 3.6 3.0 25.1 72 75 A D < - 0 0 120 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.920 20.3-173.7 52.8 48.1 7.0 4.6 24.7 73 76 A Y - 0 0 60 -4,-0.3 2,-0.3 1,-0.1 -60,-0.2 -0.437 24.7-102.9 -70.8 153.7 6.2 7.6 26.9 74 77 A P - 0 0 56 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.549 66.8 -4.1 -83.7 138.8 8.9 10.3 27.0 75 78 A G S >> S- 0 0 46 -2,-0.3 3,-1.4 1,-0.2 4,-0.7 -0.048 100.0 -44.3 89.8 178.9 11.4 11.2 29.6 76 79 A P H 3> S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.741 124.2 67.8 -62.5 -26.4 12.2 9.9 33.1 77 80 A L H 3> S+ 0 0 0 75,-0.4 4,-2.7 -3,-0.3 5,-0.2 0.800 92.4 62.1 -63.1 -28.5 8.6 9.8 34.2 78 81 A A H <> S+ 0 0 4 -3,-1.4 4,-2.6 -4,-0.3 -9,-0.3 0.906 104.9 46.4 -65.9 -37.3 8.0 6.9 31.8 79 82 A G H X S+ 0 0 3 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.2 0.885 110.1 53.6 -72.1 -38.1 10.5 4.8 33.6 80 83 A M H X S+ 0 0 3 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.954 111.6 45.2 -58.3 -49.7 9.1 5.7 37.0 81 84 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.921 109.9 54.2 -61.5 -42.8 5.7 4.6 35.8 82 85 A S H X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.912 110.6 47.6 -59.9 -38.1 7.0 1.3 34.2 83 86 A V H >X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 3,-1.0 0.941 110.4 49.8 -67.6 -48.3 8.6 0.4 37.5 84 87 A M H 3< S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.876 110.6 52.2 -58.6 -32.3 5.4 1.2 39.6 85 88 A Q H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.719 117.7 37.6 -74.0 -17.9 3.4 -0.9 37.1 86 89 A Q H << S+ 0 0 84 -3,-1.0 2,-0.4 -4,-0.8 -2,-0.2 0.358 111.3 62.1-118.0 3.1 5.8 -3.9 37.5 87 90 A E < - 0 0 21 -4,-1.1 -1,-0.1 -3,-0.3 2,-0.0 -0.998 68.0-143.2-133.8 138.8 6.7 -3.7 41.3 88 91 A A + 0 0 81 -2,-0.4 3,-0.1 -3,-0.1 -83,-0.1 -0.214 52.0 80.9 -81.0 172.7 4.5 -4.0 44.3 89 92 A G S S- 0 0 30 1,-0.1 -86,-0.1 -85,-0.1 -2,-0.1 0.005 75.3 -97.8 103.2 149.8 4.9 -2.0 47.4 90 93 A E S S+ 0 0 137 -88,-0.3 47,-2.7 -87,-0.1 2,-0.3 0.682 91.9 37.9 -92.3 -23.3 4.0 1.3 48.6 91 94 A W E -aD 4 136A 35 -88,-0.7 -86,-2.7 45,-0.2 2,-0.4 -0.973 53.9-167.5-134.2 145.5 7.1 3.6 48.2 92 95 A F E -aD 5 135A 0 43,-2.2 43,-2.9 -2,-0.3 2,-0.6 -0.992 10.8-156.1-129.2 139.3 9.9 4.0 45.6 93 96 A L E -aD 6 134A 0 -88,-2.5 -86,-3.0 -2,-0.4 2,-0.3 -0.950 22.3-165.0-112.5 105.2 13.2 5.9 45.8 94 97 A F E +aD 7 133A 0 39,-3.0 39,-0.9 -2,-0.6 -86,-0.2 -0.629 13.5 170.1 -85.3 145.6 14.2 6.7 42.3 95 98 A C E -a 8 0A 0 -88,-2.0 -86,-2.6 -2,-0.3 37,-0.2 -0.926 32.8-114.6-151.5 135.5 17.7 7.8 41.4 96 99 A P E > -a 9 0A 17 0, 0.0 3,-1.0 0, 0.0 -86,-0.2 -0.251 27.0-116.4 -66.0 162.2 19.3 8.3 37.9 97 100 A C T 3 S+ 0 0 4 -88,-2.1 -61,-0.3 1,-0.2 -62,-0.2 0.451 105.2 65.2 -78.4 -0.6 22.2 6.1 36.9 98 101 A D T 3 S+ 0 0 14 -89,-0.2 80,-2.8 1,-0.1 -1,-0.2 0.167 77.6 80.3-110.4 14.4 24.7 9.0 36.7 99 102 A T X + 0 0 1 -3,-1.0 3,-1.1 78,-0.2 78,-0.2 -0.718 51.2 168.3-122.0 76.7 24.9 10.2 40.3 100 103 A P T 3 + 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.573 65.6 60.4 -71.4 -10.6 27.4 7.8 41.8 101 104 A Y T 3 + 0 0 78 75,-0.4 75,-0.1 73,-0.3 74,-0.1 0.138 66.3 148.5-106.1 18.1 28.1 9.5 45.1 102 105 A I < - 0 0 9 -3,-1.1 73,-0.1 1,-0.1 -7,-0.0 -0.210 48.6-112.5 -58.4 143.5 24.5 9.6 46.5 103 106 A P > - 0 0 11 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.330 10.0-116.2 -85.2 162.5 24.7 9.4 50.3 104 107 A P T 3 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.594 113.0 55.2 -75.8 -4.8 23.7 6.7 52.8 105 108 A D T 3> S+ 0 0 58 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.142 74.0 107.6-108.7 21.6 21.1 8.9 54.4 106 109 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 5,-0.2 0.944 86.2 37.3 -57.3 -56.8 19.2 9.6 51.1 107 110 A A H > S+ 0 0 8 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.921 118.0 51.0 -64.8 -43.0 16.2 7.5 51.9 108 111 A A H > S+ 0 0 62 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.914 113.6 43.2 -62.6 -44.7 16.2 8.4 55.6 109 112 A R H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.923 114.0 49.8 -70.2 -41.8 16.4 12.2 55.1 110 113 A L H < S+ 0 0 0 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.930 114.7 45.7 -60.7 -42.7 13.8 12.2 52.3 111 114 A N H >< S+ 0 0 79 -4,-2.5 3,-1.2 -5,-0.2 4,-0.4 0.937 111.7 51.4 -64.3 -43.4 11.5 10.1 54.6 112 115 A H H 3< S+ 0 0 140 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.858 116.4 41.8 -62.2 -31.9 12.2 12.3 57.7 113 116 A Q T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.331 83.6 98.1-101.0 5.3 11.3 15.4 55.6 114 117 A R X - 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