==== 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 OXIDOREDUCTASE 16-JUL-09 3IBT . COMPND 2 MOLECULE: 1H-3-HYDROXY-4-OXOQUINOLINE 2,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.J.OAKLEY . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 1 0.4 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 . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 1 0 0 2 0 2 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 3 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 . 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 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 1 A X 0 0 117 0, 0.0 12,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0-166.7 -6.6 18.8 68.3 2 2 A Q - 0 0 88 10,-0.2 11,-4.6 1,-0.1 2,-0.1 0.176 360.0-179.1 -32.2 130.5 -8.5 21.3 66.1 3 3 A S + 0 0 60 9,-0.3 2,-0.2 50,-0.0 9,-0.1 -0.492 14.7 173.6-148.7 72.3 -8.3 20.5 62.4 4 4 A L - 0 0 60 -2,-0.1 7,-0.8 7,-0.1 2,-0.3 -0.531 30.6-136.2 -65.2 142.8 -9.9 22.5 59.5 5 5 A N E -A 10 0A 96 5,-0.2 2,-0.3 -2,-0.2 5,-0.3 -0.808 20.9-170.4-109.9 152.0 -8.7 21.1 56.1 6 6 A V E > -A 9 0A 5 3,-1.9 3,-1.3 -2,-0.3 70,-0.1 -0.903 45.6 -26.5-139.0 155.3 -7.6 23.1 53.1 7 7 A N T 3 S- 0 0 103 -2,-0.3 -2,-0.0 1,-0.3 69,-0.0 0.016 127.0 -3.7 45.0-126.4 -6.8 22.7 49.4 8 8 A G T 3 S- 0 0 50 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.794 130.5 -17.0 -69.4 -31.4 -5.6 19.1 48.7 9 9 A T E < S-A 6 0A 28 -3,-1.3 -3,-1.9 56,-0.0 2,-0.2 -0.540 74.9 -67.7-146.6-152.1 -5.6 17.9 52.4 10 10 A L E -A 5 0A 48 -5,-0.3 47,-0.4 -2,-0.2 2,-0.3 -0.695 19.2-167.0-113.5 166.3 -5.7 18.6 56.0 11 11 A X - 0 0 2 -7,-0.8 2,-0.2 -2,-0.2 -7,-0.1 -0.853 21.7-135.9-148.9 124.3 -3.6 20.1 58.7 12 12 A T - 0 0 17 -2,-0.3 42,-1.1 43,-0.2 2,-0.3 -0.510 31.5-170.2 -67.4 142.4 -4.3 19.7 62.4 13 13 A Y E -B 53 0B 8 -11,-4.6 2,-0.3 -12,-0.2 -9,-0.1 -1.000 17.7-137.8-142.4 145.6 -3.9 23.1 64.2 14 14 A S E -B 52 0B 23 38,-2.2 38,-1.8 -2,-0.3 2,-0.4 -0.729 13.9-159.9 -99.3 150.7 -3.7 24.4 67.8 15 15 A E E +B 51 0B 51 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.996 12.2 173.8-133.6 134.6 -5.4 27.5 69.0 16 16 A S E +B 50 0B 50 34,-1.6 34,-2.2 -2,-0.4 2,-0.2 -0.912 43.5 19.2-148.5 111.9 -4.5 29.4 72.1 17 17 A G S S- 0 0 44 -2,-0.3 32,-0.2 32,-0.2 29,-0.1 -0.743 97.4 -31.1 127.6-175.3 -5.8 32.7 73.2 18 18 A D - 0 0 99 27,-0.4 3,-0.3 30,-0.3 -2,-0.1 -0.734 48.4-148.0 -84.8 116.5 -8.7 35.1 72.7 19 19 A P S S+ 0 0 82 0, 0.0 2,-1.3 0, 0.0 30,-0.2 0.826 95.4 59.9 -60.3 -35.5 -9.9 34.7 69.1 20 20 A H S S+ 0 0 180 28,-0.1 -2,-0.1 2,-0.1 -3,-0.0 -0.493 92.6 87.5 -90.9 56.8 -10.9 38.4 69.0 21 21 A A S S- 0 0 28 -2,-1.3 27,-0.1 -3,-0.3 28,-0.1 -0.899 101.2 -55.8-142.4 169.1 -7.3 39.5 69.7 22 22 A P - 0 0 74 0, 0.0 27,-2.6 0, 0.0 2,-0.3 -0.297 62.8-129.1 -55.9 122.9 -4.5 40.2 67.3 23 23 A T E +cd 49 89B 13 65,-0.5 67,-1.9 25,-0.2 2,-0.4 -0.601 29.7 180.0 -85.0 135.1 -4.0 37.0 65.3 24 24 A L E -cd 50 90B 0 25,-2.6 27,-1.9 -2,-0.3 2,-0.4 -0.997 15.9-147.1-140.0 121.1 -0.5 35.5 65.1 25 25 A F E -cd 51 91B 0 65,-2.1 67,-2.8 -2,-0.4 2,-0.7 -0.795 1.5-155.4 -95.5 132.2 0.5 32.3 63.3 26 26 A L E - d 0 92B 0 25,-2.6 2,-0.5 -2,-0.4 67,-0.2 -0.886 20.4-174.6-105.6 104.0 3.3 30.1 64.6 27 27 A L E - d 0 93B 1 65,-2.8 67,-1.9 -2,-0.7 70,-0.1 -0.858 7.5-151.0-108.4 123.2 4.7 28.2 61.5 28 28 A S - 0 0 0 -2,-0.5 66,-0.1 25,-0.5 2,-0.1 0.048 18.3-101.8 -79.5-176.9 7.3 25.5 61.8 29 29 A G > - 0 0 0 1,-0.2 3,-0.9 4,-0.1 26,-0.2 -0.315 59.1 -65.3 -86.8-175.5 10.1 24.1 59.5 30 30 A W T 3 S+ 0 0 19 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.434 123.9 20.1 -67.0 146.5 9.9 20.9 57.5 31 31 A C T 3 S+ 0 0 0 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.817 108.0 108.5 60.5 30.7 9.7 17.8 59.6 32 32 A Q < - 0 0 6 -3,-0.9 -1,-0.2 137,-0.0 23,-0.2 -0.870 51.9-144.1-131.7 172.2 8.5 19.8 62.6 33 33 A D > - 0 0 8 -2,-0.3 3,-1.5 -3,-0.1 4,-0.3 -0.647 38.6 -96.1-127.7 177.1 5.4 20.3 64.6 34 34 A H G > S+ 0 0 35 1,-0.3 3,-2.0 -2,-0.2 20,-0.1 0.746 117.7 75.3 -62.7 -22.4 3.2 22.8 66.5 35 35 A R G > S+ 0 0 76 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.668 76.4 73.5 -64.4 -15.7 5.2 21.2 69.4 36 36 A L G < S+ 0 0 0 -3,-1.5 3,-0.4 1,-0.2 -1,-0.3 0.865 100.6 45.6 -60.9 -27.6 8.2 23.3 68.3 37 37 A F G <> S+ 0 0 1 -3,-2.0 4,-2.9 -4,-0.3 -1,-0.2 0.254 76.5 115.7 -99.9 16.7 6.2 26.1 69.8 38 38 A K T <4 S+ 0 0 83 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.811 84.7 34.5 -64.2 -33.5 5.3 24.4 73.0 39 39 A N T > S+ 0 0 44 -3,-0.4 4,-0.6 208,-0.2 -1,-0.2 0.858 121.6 45.9 -85.1 -37.9 7.2 26.8 75.2 40 40 A L H > S+ 0 0 0 207,-0.3 4,-1.9 -4,-0.3 3,-0.3 0.849 103.4 60.7 -78.1 -36.5 6.7 29.9 73.2 41 41 A A H X S+ 0 0 11 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.927 97.6 54.3 -62.7 -50.7 2.9 29.7 72.6 42 42 A P H 4 S+ 0 0 88 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.836 109.8 52.2 -58.6 -25.3 1.6 29.7 76.1 43 43 A L H >< S+ 0 0 64 -4,-0.6 3,-1.2 -3,-0.3 4,-0.2 0.952 109.8 45.5 -69.8 -49.8 3.5 32.9 76.6 44 44 A L H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 3,-0.6 0.511 91.3 85.5 -72.6 -3.2 2.1 34.7 73.6 45 45 A A T 3< S+ 0 0 32 -4,-1.0 -27,-0.4 -3,-0.3 -1,-0.3 0.535 80.8 65.2 -75.6 -3.3 -1.5 33.5 74.5 46 46 A R T <4 S+ 0 0 172 -3,-1.2 -1,-0.2 -29,-0.1 -2,-0.2 0.866 118.4 16.6 -80.2 -40.8 -1.7 36.6 76.8 47 47 A D T <4 S+ 0 0 50 -3,-0.6 2,-0.2 -4,-0.2 -2,-0.2 0.753 121.7 45.0-109.2 -35.3 -1.6 39.1 73.9 48 48 A F S < S- 0 0 7 -4,-2.3 2,-0.7 -27,-0.1 -30,-0.3 -0.700 75.0-115.2-117.2 162.0 -2.3 37.4 70.7 49 49 A H E - c 0 23B 9 -27,-2.6 -25,-2.6 -2,-0.2 2,-0.6 -0.892 48.0-152.9 -89.4 114.8 -4.7 34.8 69.3 50 50 A V E -Bc 16 24B 0 -34,-2.2 -34,-1.6 -2,-0.7 2,-0.6 -0.848 21.5-178.1-116.0 115.8 -2.2 32.1 68.5 51 51 A I E -Bc 15 25B 0 -27,-1.9 -25,-2.6 -2,-0.6 -36,-0.2 -0.893 4.7-172.5-108.0 112.2 -2.5 29.4 65.8 52 52 A C E -B 14 0B 1 -38,-1.8 -38,-2.2 -2,-0.6 -18,-0.2 -0.851 18.2-166.5-103.0 98.5 0.2 26.8 65.5 53 53 A P E -B 13 0B 5 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.332 17.4-131.1 -77.9 163.3 -0.6 24.8 62.3 54 54 A D - 0 0 0 -42,-1.1 5,-0.2 -21,-0.1 4,-0.2 -0.940 28.9-124.0-118.8 108.9 0.9 21.4 61.1 55 55 A W > - 0 0 6 -2,-0.6 3,-3.2 -23,-0.2 4,-0.4 0.067 47.9 -65.0 -41.5 148.4 2.1 21.4 57.5 56 56 A R T 3 S+ 0 0 15 1,-0.3 -1,-0.1 2,-0.2 -45,-0.1 -0.068 128.0 11.7 -27.1 126.3 0.8 18.9 54.9 57 57 A G T 3 S+ 0 0 2 -47,-0.4 -1,-0.3 7,-0.2 -2,-0.1 0.394 108.7 92.5 79.6 -7.3 1.9 15.4 56.0 58 58 A H < + 0 0 0 -3,-3.2 -3,-0.2 -4,-0.2 -2,-0.2 0.428 55.4 112.3-100.8 -2.8 2.9 16.7 59.4 59 59 A D S > S- 0 0 4 -4,-0.4 3,-2.8 -5,-0.2 -4,-0.0 -0.130 89.7 -95.7 -62.9 165.6 -0.3 16.1 61.2 60 60 A A T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -49,-0.0 0.678 130.8 54.2 -53.6 -18.2 -0.6 13.5 64.0 61 61 A K T 3 S- 0 0 176 2,-0.0 -1,-0.3 3,-0.0 3,-0.2 0.337 99.5-142.5-100.3 7.0 -1.9 11.2 61.3 62 62 A Q < - 0 0 17 -3,-2.8 2,-0.4 1,-0.2 -4,-0.1 0.845 28.4-157.5 22.2 77.5 1.2 11.9 59.1 63 63 A T - 0 0 64 -53,-0.1 -1,-0.2 1,-0.1 -4,-0.1 -0.665 9.3-151.5 -91.2 128.1 -1.0 11.9 56.0 64 64 A D + 0 0 115 -2,-0.4 2,-0.3 -3,-0.2 -7,-0.2 0.031 31.4 138.9 -78.0-163.2 0.4 11.2 52.5 65 65 A S - 0 0 73 -9,-0.1 3,-0.1 -56,-0.1 -56,-0.0 -0.789 67.3 -27.1 137.7-179.8 -1.0 12.5 49.3 66 66 A G S S- 0 0 47 -2,-0.3 2,-0.1 1,-0.1 -58,-0.0 -0.049 71.6-102.7 -54.6 158.9 1.1 13.7 46.4 67 67 A D - 0 0 95 -3,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.317 52.1-162.5 -68.8 175.1 4.5 15.1 47.0 68 68 A F - 0 0 19 -3,-0.1 2,-0.2 -2,-0.1 116,-0.1 -0.959 16.8 -98.9-158.4 165.7 4.3 19.0 46.8 69 69 A D >> - 0 0 83 -2,-0.3 4,-1.0 1,-0.1 3,-0.6 -0.562 32.6-117.9 -86.1 157.4 6.1 22.3 46.4 70 70 A S H 3> S+ 0 0 6 1,-0.2 4,-1.0 -2,-0.2 -1,-0.1 0.623 119.9 62.9 -56.0 -21.5 7.1 24.8 49.1 71 71 A Q H 3> S+ 0 0 103 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.757 96.0 52.3 -81.0 -29.3 4.6 26.9 47.0 72 72 A T H <> S+ 0 0 40 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.776 102.0 61.2 -74.6 -25.2 1.6 24.6 47.7 73 73 A L H X S+ 0 0 1 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.931 104.7 49.5 -66.4 -44.0 2.3 24.9 51.5 74 74 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.881 108.1 52.8 -43.9 -51.2 1.8 28.6 51.0 75 75 A Q H X S+ 0 0 75 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.921 105.2 55.8 -61.5 -45.0 -1.4 27.7 49.2 76 76 A D H < S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 4,-0.4 0.962 109.5 45.0 -40.0 -65.4 -2.5 25.7 52.2 77 77 A L H X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.780 110.3 54.5 -59.9 -31.5 -2.1 28.6 54.5 78 78 A L H X S+ 0 0 28 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.849 106.9 50.1 -71.8 -34.0 -3.9 31.0 52.1 79 79 A A H X S+ 0 0 26 -4,-2.2 4,-0.9 -3,-0.5 -1,-0.2 0.515 110.4 57.4 -75.7 -6.2 -6.9 28.6 52.1 80 80 A F H > S+ 0 0 2 -3,-0.5 4,-2.2 -4,-0.4 5,-0.4 0.943 103.2 44.9 -85.2 -72.2 -6.5 28.8 55.9 81 81 A I H <>S+ 0 0 16 -4,-1.9 5,-3.4 1,-0.2 4,-0.4 0.774 121.0 44.1 -33.7 -44.7 -6.9 32.5 56.6 82 82 A D H ><5S+ 0 0 118 -4,-1.2 3,-1.1 3,-0.2 -1,-0.2 0.954 108.7 54.3 -70.4 -55.4 -9.8 32.5 54.2 83 83 A A H 3<5S+ 0 0 51 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.787 118.4 36.2 -53.8 -36.4 -11.6 29.4 55.4 84 84 A K T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.471 115.1-118.0 -94.1 -8.7 -11.6 30.7 59.0 85 85 A G T < 5 + 0 0 58 -3,-1.1 2,-0.6 -5,-0.4 -3,-0.2 0.981 51.8 161.0 73.9 61.7 -12.3 34.3 57.8 86 86 A I < + 0 0 21 -5,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.796 14.6 165.4-122.9 90.7 -9.2 36.2 59.0 87 87 A R + 0 0 196 -2,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.916 69.5 52.1 -67.1 -44.2 -8.4 39.6 57.4 88 88 A D S S+ 0 0 138 25,-0.0 -65,-0.5 2,-0.0 2,-0.3 -0.833 75.2 122.2-103.5 123.9 -5.9 40.9 60.0 89 89 A F E -d 23 0B 12 -2,-0.5 2,-0.3 23,-0.2 -65,-0.2 -0.988 38.5-147.4-171.0 161.7 -2.9 38.7 61.0 90 90 A Q E -d 24 0B 41 -67,-1.9 -65,-2.1 -2,-0.3 2,-0.3 -0.771 16.5-144.7-128.1 168.5 0.8 38.2 61.3 91 91 A X E -d 25 0B 1 24,-0.4 26,-1.9 -2,-0.3 2,-0.4 -0.995 8.4-163.5-140.8 150.4 3.1 35.2 61.0 92 92 A V E -de 26 117B 0 -67,-2.8 -65,-2.8 -2,-0.3 2,-0.3 -0.993 20.8-170.3-131.4 123.0 6.2 33.9 62.6 93 93 A S E -de 27 118B 0 24,-2.3 26,-2.0 -2,-0.4 2,-0.4 -0.817 13.6-135.2-121.8 156.5 8.1 31.2 60.9 94 94 A T E > - e 0 119B 6 -67,-1.9 3,-3.0 -2,-0.3 4,-0.4 -0.869 56.1 -48.4-109.0 137.3 11.0 28.8 61.6 95 95 A S T > S+ 0 0 5 24,-3.1 3,-1.4 -2,-0.4 4,-0.2 -0.077 129.1 1.4 52.9-123.1 13.9 27.8 59.5 96 96 A H T 3> S+ 0 0 10 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.522 116.3 82.1 -86.0 -1.1 12.7 26.8 56.0 97 97 A G H <> S+ 0 0 2 -3,-3.0 4,-2.1 1,-0.2 3,-0.5 0.739 79.3 73.6 -60.9 -24.5 9.2 27.6 56.9 98 98 A C H <> S+ 0 0 0 -3,-1.4 4,-3.3 -4,-0.4 5,-0.4 0.888 81.8 62.5 -62.7 -44.3 10.3 31.1 56.1 99 99 A W H > S+ 0 0 6 -3,-0.4 4,-1.6 -4,-0.2 -1,-0.3 0.897 109.1 45.5 -40.9 -47.0 10.3 30.5 52.3 100 100 A V H X S+ 0 0 1 -4,-0.6 4,-1.9 -3,-0.5 -2,-0.2 0.950 110.7 53.1 -63.2 -51.0 6.5 29.9 52.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.939 111.3 44.6 -45.0 -57.5 6.2 33.0 55.1 102 102 A I H X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.843 107.4 59.6 -64.7 -32.1 7.8 35.3 52.5 103 103 A D H X S+ 0 0 15 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.908 107.8 46.0 -59.4 -39.0 5.7 33.8 49.7 104 104 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 -3,-0.4 -2,-0.2 0.923 107.7 54.9 -76.2 -39.7 2.6 34.8 51.5 105 105 A C H < S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 115.8 42.3 -57.5 -28.4 3.9 38.3 52.2 106 106 A E H < S+ 0 0 85 -4,-1.5 -2,-0.3 -5,-0.2 -1,-0.2 0.791 114.5 48.3 -87.2 -32.8 4.4 38.4 48.4 107 107 A Q H < S+ 0 0 94 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.964 118.0 39.5 -74.9 -54.4 1.1 36.7 47.5 108 108 A L S < S- 0 0 34 -4,-2.5 3,-0.1 1,-0.2 -30,-0.0 -0.234 111.5 -72.2 -74.2 176.4 -1.0 39.0 49.7 109 109 A G > - 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