==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDOPTERIN NUCLEOTIDYL-TRANSFERASE 27-JUL-00 1E5K . COMPND 2 MOLECULE: MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.E.M.STEVENSON,F.SARGENT,G.BUCHANAN,T.PALMER,D.M.LAWSON . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 67.6 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 . 16 8.5 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 . 45 23.9 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 0 1 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 0 161 0, 0.0 2,-0.3 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 0.3 8.1 -7.0 52.8 2 5 A T - 0 0 62 1,-0.1 3,-0.1 42,-0.0 42,-0.0 -0.926 360.0-132.9-121.7 155.5 10.3 -3.9 52.7 3 6 A T S S+ 0 0 110 -2,-0.3 88,-0.7 1,-0.2 2,-0.4 0.872 85.8 29.9 -76.1 -43.6 9.0 -0.3 52.9 4 7 A I E -a 91 0A 14 86,-0.1 2,-0.5 85,-0.1 42,-0.4 -0.989 66.8-149.6-123.6 126.0 10.9 1.4 50.1 5 8 A T E -a 92 0A 5 86,-2.6 88,-2.7 -2,-0.4 2,-0.3 -0.821 19.5-137.1 -90.0 125.6 12.1 -0.2 46.8 6 9 A G E -ab 93 47A 0 40,-2.7 42,-2.5 -2,-0.5 2,-0.4 -0.636 20.9-166.9 -81.2 143.7 15.3 1.4 45.4 7 10 A V E -ab 94 48A 0 86,-2.8 88,-2.1 -2,-0.3 2,-0.6 -0.964 15.0-152.4-138.3 120.1 15.3 2.0 41.6 8 11 A V E -ab 95 49A 0 40,-2.6 42,-3.0 -2,-0.4 2,-1.0 -0.803 16.0-146.7 -88.1 123.4 18.2 2.9 39.4 9 12 A L E +ab 96 50A 15 86,-2.8 88,-2.3 -2,-0.6 89,-0.2 -0.793 22.3 174.8 -92.8 101.5 16.9 4.9 36.3 10 13 A A - 0 0 12 40,-2.4 42,-0.4 -2,-1.0 13,-0.2 -0.097 44.6-107.2-105.5 36.1 19.3 3.8 33.5 11 14 A G - 0 0 45 40,-0.1 41,-0.3 41,-0.1 -1,-0.3 0.134 30.3-142.3 83.5-179.9 17.5 5.7 30.7 12 15 A G + 0 0 31 39,-0.1 2,-0.8 40,-0.1 3,-0.1 -0.458 58.0 66.6-144.2-135.0 15.3 4.6 27.8 13 16 A K - 0 0 75 1,-0.2 5,-0.1 -2,-0.2 -2,-0.0 -0.228 42.9-163.8 48.1 -91.4 14.7 5.5 24.2 14 17 A A - 0 0 37 -2,-0.8 -1,-0.2 4,-0.2 3,-0.1 0.991 21.8-179.5 60.1 64.7 17.8 4.7 22.1 15 18 A R S S+ 0 0 101 3,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.205 75.9 25.9 -97.2 17.4 16.0 6.9 19.6 16 19 A R S S- 0 0 81 3,-0.0 2,-0.7 0, 0.0 -1,-0.2 -0.687 142.6 -60.2-170.0 114.9 18.8 6.4 17.1 17 20 A M S S- 0 0 104 -2,-0.3 2,-2.0 1,-0.2 -2,-0.1 0.281 89.0 -86.5 -19.2 72.0 20.4 3.0 18.0 18 21 A G - 0 0 26 -2,-0.7 -3,-0.3 -5,-0.1 2,-0.3 -0.422 47.9-145.1 51.4 -68.9 21.2 4.4 21.4 19 22 A G S S+ 0 0 51 -2,-2.0 2,-0.1 -5,-0.1 -3,-0.0 -0.723 70.3 2.3 96.6-161.1 24.5 6.2 21.2 20 23 A V S S- 0 0 92 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.373 70.2-135.4 -57.5 142.4 26.6 5.9 24.4 21 24 A D >> - 0 0 24 1,-0.2 3,-1.2 -2,-0.1 4,-0.5 -0.777 21.3-167.4 -97.9 96.7 25.0 3.7 27.2 22 25 A K G >4 S+ 0 0 72 -2,-1.1 3,-1.4 1,-0.3 10,-0.3 0.872 79.9 57.7 -57.5 -41.1 25.7 6.1 30.1 23 26 A G G 34 S+ 0 0 1 1,-0.3 10,-2.6 -13,-0.2 11,-0.4 0.781 106.0 51.7 -64.2 -25.9 24.9 3.6 32.9 24 27 A L G <4 S+ 0 0 36 -3,-1.2 -1,-0.3 7,-0.2 -2,-0.2 0.471 79.8 113.8 -90.6 -5.6 27.5 1.2 31.5 25 28 A L S << S- 0 0 33 -3,-1.4 7,-2.8 -4,-0.5 2,-0.4 -0.455 70.3-120.4 -61.5 143.5 30.4 3.7 31.5 26 29 A E E -G 31 0B 108 5,-0.3 2,-0.5 -2,-0.1 3,-0.1 -0.724 25.5-171.0-100.1 129.0 33.0 2.6 34.0 27 30 A L E > S-G 30 0B 0 3,-2.8 3,-1.8 -2,-0.4 158,-0.1 -0.975 86.9 -14.9-114.3 112.9 34.1 4.7 37.0 28 31 A N T 3 S- 0 0 106 -2,-0.5 -1,-0.2 1,-0.3 160,-0.0 0.905 131.8 -53.4 56.7 43.2 37.1 3.0 38.6 29 32 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.361 121.3 100.4 78.4 -4.4 36.3 -0.2 36.7 30 33 A K E < S-G 27 0B 79 -3,-1.8 -3,-2.8 -5,-0.0 -1,-0.2 -0.942 80.2-105.9-119.6 128.9 32.6 -0.4 37.9 31 34 A P E >> -G 26 0B 32 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.194 26.7-122.5 -52.1 138.0 29.7 0.7 35.8 32 35 A L H 3> S+ 0 0 0 -7,-2.8 4,-2.0 -10,-0.3 3,-0.2 0.903 112.1 55.9 -48.7 -45.1 28.1 4.0 36.9 33 36 A W H 3> S+ 0 0 5 -10,-2.6 4,-2.7 1,-0.2 -1,-0.3 0.855 105.5 52.2 -64.5 -30.6 24.7 2.4 37.3 34 37 A Q H <> S+ 0 0 25 -3,-0.8 4,-2.9 -11,-0.4 -1,-0.2 0.828 103.4 56.9 -74.5 -29.5 26.3 -0.2 39.7 35 38 A H H X S+ 0 0 33 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.948 112.1 43.2 -60.4 -43.7 27.8 2.6 41.8 36 39 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 61,-0.3 -2,-0.2 0.943 114.1 49.5 -67.1 -45.0 24.2 3.9 42.2 37 40 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 111.2 49.6 -60.3 -42.9 22.8 0.4 42.8 38 41 A D H X S+ 0 0 49 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.903 110.3 50.4 -64.5 -37.2 25.5 -0.3 45.5 39 42 A A H X S+ 0 0 16 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.908 111.9 47.7 -68.7 -35.0 24.8 3.0 47.2 40 43 A L H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-1.0 0.910 107.9 55.8 -68.8 -39.1 21.0 2.2 47.2 41 44 A M H 3< S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 96.3 64.8 -69.6 -20.7 21.7 -1.3 48.6 42 45 A T H 3< S+ 0 0 109 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.865 119.2 24.8 -59.6 -35.5 23.6 0.2 51.5 43 46 A Q H << S+ 0 0 40 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.556 125.4 43.6-108.8 -13.2 20.3 1.7 52.6 44 47 A L < - 0 0 18 -4,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.999 58.6-149.3-140.2 143.5 17.6 -0.5 51.1 45 48 A S S S+ 0 0 112 -2,-0.3 2,-0.6 -41,-0.2 -1,-0.1 0.817 87.4 53.5 -79.4 -31.8 17.2 -4.3 50.8 46 49 A H + 0 0 69 -42,-0.4 -40,-2.7 -6,-0.1 2,-0.4 -0.922 65.3 164.1-117.0 108.5 15.3 -4.4 47.5 47 50 A V E +b 6 0A 7 -2,-0.6 17,-0.5 -42,-0.2 2,-0.3 -0.992 7.6 178.3-129.9 134.4 16.8 -2.6 44.6 48 51 A V E -b 7 0A 0 -42,-2.5 -40,-2.6 -2,-0.4 2,-0.4 -0.816 19.5-132.0-126.3 169.7 15.9 -2.9 40.9 49 52 A V E -bc 8 65A 0 15,-2.5 17,-3.0 -2,-0.3 2,-0.7 -0.985 4.1-146.8-130.8 135.4 17.2 -1.2 37.7 50 53 A N E +bc 9 66A 4 -42,-3.0 -40,-2.4 -2,-0.4 2,-0.3 -0.882 36.4 157.5 -93.8 112.9 15.1 0.3 34.8 51 54 A A - 0 0 0 15,-1.5 -40,-0.1 -2,-0.7 -39,-0.1 -0.998 28.4-178.8-143.5 143.0 17.1 -0.3 31.6 52 55 A N S S+ 0 0 36 -42,-0.4 2,-0.3 -2,-0.3 -40,-0.1 0.262 71.1 51.3-125.0 0.2 16.0 -0.4 28.0 53 56 A R S S+ 0 0 46 -43,-0.2 5,-0.2 -42,-0.1 -39,-0.0 -0.967 112.3 9.7-134.4 150.8 19.3 -1.1 26.1 54 57 A H S >> S+ 0 0 86 -2,-0.3 4,-1.9 1,-0.1 3,-1.1 0.854 71.4 169.2 50.7 39.0 21.9 -3.8 26.8 55 58 A Q H 3> + 0 0 45 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.849 69.6 57.1 -54.8 -40.2 19.5 -5.6 29.2 56 59 A E H 3> S+ 0 0 73 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.875 107.0 50.6 -61.4 -32.4 21.7 -8.8 29.5 57 60 A I H X4 S+ 0 0 100 -3,-1.1 3,-1.1 1,-0.2 4,-0.3 0.948 110.8 47.9 -70.0 -44.6 24.6 -6.6 30.6 58 61 A Y H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 5,-0.4 0.846 107.8 57.5 -64.6 -31.8 22.5 -4.9 33.2 59 62 A Q H >< S+ 0 0 100 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.674 83.7 87.6 -71.4 -13.9 21.2 -8.3 34.4 60 63 A A T << S+ 0 0 84 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.807 80.9 55.2 -63.6 -26.9 24.8 -9.6 35.1 61 64 A S T < S- 0 0 55 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.342 117.9-105.7 -91.9 12.0 25.0 -8.3 38.7 62 65 A G S < S+ 0 0 67 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.459 75.4 128.8 88.8 7.6 21.9 -10.2 39.7 63 66 A L - 0 0 31 -5,-0.4 2,-0.3 1,-0.1 -1,-0.3 -0.611 66.8 -98.4 -93.3 156.1 19.3 -7.4 40.0 64 67 A K - 0 0 102 -17,-0.5 -15,-2.5 -2,-0.2 2,-0.6 -0.527 35.0-147.5 -70.4 132.0 15.9 -7.4 38.4 65 68 A V E -c 49 0A 22 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.913 10.6-161.8-104.3 121.3 15.9 -5.4 35.1 66 69 A I E -c 50 0A 0 -17,-3.0 -15,-1.5 -2,-0.6 2,-0.3 -0.903 4.3-155.1-109.9 124.8 12.6 -3.6 34.3 67 70 A E - 0 0 88 -2,-0.5 -15,-0.1 -17,-0.2 -55,-0.1 -0.741 26.1 -98.1 -97.6 153.8 12.0 -2.4 30.8 68 71 A D - 0 0 36 -2,-0.3 11,-0.1 1,-0.1 -1,-0.1 -0.255 44.4 -99.1 -66.9 149.9 9.6 0.5 29.7 69 72 A S > - 0 0 37 9,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.234 33.4-105.6 -65.7 162.0 6.2 -0.3 28.5 70 73 A L T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.705 108.6 84.5 -62.3 -17.4 5.3 -0.4 24.8 71 74 A A T 3 S- 0 0 50 1,-0.1 -1,-0.3 7,-0.1 -2,-0.0 0.799 85.4-149.5 -56.6 -29.2 3.6 3.0 25.2 72 75 A D < - 0 0 118 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.900 21.5-174.2 58.9 44.7 7.0 4.6 24.8 73 76 A Y - 0 0 54 -4,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.343 23.7-104.5 -66.8 158.1 6.3 7.6 26.9 74 77 A P + 0 0 57 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.498 65.5 1.4 -89.6 149.5 8.9 10.3 27.0 75 78 A G S >> S- 0 0 46 -2,-0.2 3,-1.6 1,-0.2 4,-0.7 0.120 100.1 -46.9 82.7-177.2 11.4 11.2 29.7 76 79 A P H 3> S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.764 125.3 68.0 -66.1 -29.5 12.4 10.0 33.1 77 80 A L H 3> S+ 0 0 0 75,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.829 91.8 62.0 -61.4 -29.4 8.7 9.8 34.2 78 81 A A H <> S+ 0 0 3 -3,-1.6 4,-2.4 -4,-0.4 -9,-0.3 0.909 104.4 47.0 -63.8 -39.5 8.1 7.0 31.8 79 82 A G H X S+ 0 0 3 -4,-0.7 4,-2.4 -3,-0.4 -1,-0.2 0.901 110.6 52.8 -69.8 -39.1 10.7 4.8 33.6 80 83 A M H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.937 111.9 44.9 -59.7 -49.1 9.2 5.7 37.0 81 84 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.927 111.2 52.9 -63.4 -41.9 5.7 4.6 35.8 82 85 A S H X S+ 0 0 2 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.916 110.5 48.4 -62.3 -39.1 6.9 1.4 34.2 83 86 A V H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.9 0.952 110.5 49.9 -65.1 -44.2 8.6 0.4 37.4 84 87 A M H 3< S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.867 109.7 52.3 -63.6 -31.6 5.5 1.2 39.5 85 88 A Q H 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.712 117.2 38.8 -72.7 -20.0 3.4 -0.9 37.1 86 89 A Q H << S+ 0 0 85 -3,-0.9 2,-0.4 -4,-0.9 -2,-0.2 0.342 111.1 60.3-115.0 4.5 5.9 -3.9 37.5 87 90 A E < - 0 0 21 -4,-0.9 -1,-0.1 -3,-0.4 2,-0.1 -1.000 67.7-143.2-137.9 137.9 6.7 -3.7 41.2 88 91 A A + 0 0 79 -2,-0.4 3,-0.1 -3,-0.1 -83,-0.1 -0.181 52.2 85.3 -85.4 175.9 4.5 -4.0 44.2 89 92 A G S S- 0 0 33 1,-0.1 -86,-0.1 -85,-0.1 -2,-0.1 0.058 74.6-101.4 101.5 143.1 5.1 -2.0 47.4 90 93 A E S S+ 0 0 134 -87,-0.1 47,-2.8 46,-0.1 2,-0.4 0.683 92.1 38.9 -84.4 -23.8 4.1 1.3 48.6 91 94 A W E -aD 4 136A 36 -88,-0.7 -86,-2.6 45,-0.2 2,-0.4 -0.978 55.3-166.5-136.1 147.5 7.2 3.5 48.1 92 95 A F E -aD 5 135A 0 43,-2.3 43,-2.9 -2,-0.4 2,-0.6 -0.991 10.1-156.2-129.2 140.4 10.0 3.9 45.6 93 96 A L E -aD 6 134A 0 -88,-2.7 -86,-2.8 -2,-0.4 2,-0.3 -0.950 22.1-166.0-115.3 106.1 13.3 5.7 45.8 94 97 A F E +aD 7 133A 0 39,-2.8 39,-1.1 -2,-0.6 -86,-0.2 -0.687 13.1 170.5 -87.8 148.2 14.4 6.6 42.3 95 98 A C E -a 8 0A 0 -88,-2.1 -86,-2.8 -2,-0.3 37,-0.2 -0.946 32.7-115.5-153.7 132.9 17.9 7.7 41.3 96 99 A P E > -a 9 0A 19 0, 0.0 3,-1.0 0, 0.0 -86,-0.2 -0.284 27.9-117.0 -61.9 159.3 19.5 8.2 37.9 97 100 A C T 3 S+ 0 0 9 -88,-2.3 -61,-0.3 1,-0.2 -62,-0.2 0.489 104.9 65.7 -76.3 -1.4 22.4 6.0 36.9 98 101 A D T 3 S+ 0 0 14 -89,-0.2 80,-2.3 1,-0.1 -1,-0.2 0.196 78.3 80.6-110.1 14.6 24.8 8.9 36.6 99 102 A T X + 0 0 2 -3,-1.0 3,-1.1 78,-0.2 78,-0.2 -0.705 51.3 167.5-122.0 78.6 25.0 10.1 40.3 100 103 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.631 64.9 60.9 -75.5 -11.0 27.5 7.7 41.8 101 104 A Y T 3 + 0 0 100 75,-0.4 74,-0.1 73,-0.3 75,-0.1 0.164 65.7 148.0-104.5 17.2 28.2 9.4 45.0 102 105 A I < - 0 0 8 -3,-1.1 73,-0.1 1,-0.1 -7,-0.0 -0.186 49.2-111.3 -57.1 145.4 24.6 9.5 46.5 103 106 A P > - 0 0 10 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.340 9.7-117.6 -86.7 163.1 24.8 9.3 50.3 104 107 A P T 3 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.637 113.0 55.1 -77.1 -5.7 23.8 6.5 52.7 105 108 A D T 3> S+ 0 0 56 1,-0.2 4,-2.9 2,-0.1 5,-0.4 0.179 74.3 107.1-108.2 17.4 21.2 8.7 54.4 106 109 A L H <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 5,-0.2 0.959 85.7 38.0 -59.5 -54.7 19.3 9.6 51.1 107 110 A A H > S+ 0 0 7 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.928 118.0 50.6 -64.1 -43.8 16.3 7.4 51.9 108 111 A A H > S+ 0 0 60 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.885 113.4 42.9 -61.5 -46.5 16.3 8.3 55.6 109 112 A R H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.915 114.0 50.6 -72.4 -38.4 16.5 12.0 55.2 110 113 A L H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.4 -2,-0.2 0.935 114.1 46.2 -59.4 -44.3 13.9 12.0 52.3 111 114 A N H >< S+ 0 0 82 -4,-2.6 3,-1.2 -5,-0.2 4,-0.4 0.940 111.6 50.6 -64.2 -42.3 11.6 10.0 54.6 112 115 A H H 3< S+ 0 0 139 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.845 116.3 41.7 -64.3 -33.8 12.2 12.2 57.6 113 116 A Q T 3< S+ 0 0 37 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.303 83.8 99.3 -96.4 8.4 11.4 15.3 55.7 114 117 A R X - 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