==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-04 1W2O . COMPND 2 MOLECULE: DEACETOXYCEPHALOSPORIN C SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR L.M.OSTER,A.C.TERWISSCHA VAN SCHELTINGA,K.VALEGARD, . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 17.8 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 . 1 0.4 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 24.4 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 4 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 4 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 234 0, 0.0 2,-0.6 0, 0.0 188,-0.1 0.000 360.0 360.0 360.0 -76.8 71.0 5.0 0.2 2 2 A D + 0 0 81 1,-0.1 188,-0.2 2,-0.0 0, 0.0 -0.855 360.0 153.3-110.8 114.2 71.0 8.6 1.7 3 3 A T + 0 0 54 -2,-0.6 -1,-0.1 186,-0.1 185,-0.1 0.559 28.4 121.9-117.6 -12.9 73.0 9.4 4.8 4 4 A T - 0 0 90 1,-0.1 188,-0.0 184,-0.1 -2,-0.0 -0.077 52.1-139.0 -55.4 154.5 73.9 13.1 4.8 5 5 A V - 0 0 31 182,-0.0 27,-0.1 27,-0.0 -1,-0.1 -0.941 21.8-138.4-122.7 112.2 72.9 15.4 7.7 6 6 A P - 0 0 21 0, 0.0 27,-2.1 0, 0.0 2,-0.3 -0.080 6.9-140.8 -76.2 165.5 71.6 18.9 6.6 7 7 A T E -a 33 0A 55 25,-0.2 2,-0.3 195,-0.0 27,-0.2 -0.904 18.0-175.7-122.6 149.4 72.3 22.3 8.1 8 8 A F E -a 34 0A 6 25,-0.9 27,-3.0 -2,-0.3 2,-0.5 -0.996 27.3-132.7-147.3 142.8 69.9 25.3 8.5 9 9 A S E > -a 35 0A 10 -2,-0.3 4,-1.4 25,-0.2 27,-0.2 -0.806 18.2-152.0 -83.5 131.4 69.8 28.9 9.7 10 10 A L H > S+ 0 0 6 25,-1.7 4,-2.3 -2,-0.5 -1,-0.1 0.827 97.0 54.7 -72.4 -34.2 66.8 29.4 12.0 11 11 A A H > S+ 0 0 37 25,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.969 107.9 49.5 -60.9 -52.3 66.5 33.0 11.1 12 12 A E H 4>S+ 0 0 82 1,-0.2 5,-1.5 2,-0.2 -2,-0.2 0.841 110.0 51.5 -55.2 -34.9 66.3 32.0 7.4 13 13 A L H ><5S+ 0 0 6 -4,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.927 105.4 54.0 -71.4 -42.6 63.7 29.4 8.2 14 14 A Q H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 100.7 63.2 -60.4 -25.8 61.6 32.0 10.1 15 15 A Q T 3<5S- 0 0 136 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.033 122.5-106.1 -87.2 25.5 61.8 34.1 6.9 16 16 A G T X 5S+ 0 0 29 -3,-1.5 3,-0.8 1,-0.2 -3,-0.2 0.355 74.1 143.6 74.9 -4.9 59.9 31.4 5.0 17 17 A L T 3 < + 0 0 80 -5,-1.5 -1,-0.2 1,-0.2 -2,-0.1 -0.326 60.7 10.4 -74.8 147.1 63.0 30.2 3.2 18 18 A H T 3> S+ 0 0 86 1,-0.1 4,-2.0 3,-0.1 5,-0.3 0.605 74.8 159.1 68.5 17.2 63.8 26.5 2.3 19 19 A Q H <> + 0 0 112 -3,-0.8 4,-1.6 1,-0.2 -2,-0.1 0.767 67.7 43.3 -43.7 -50.8 60.2 25.3 3.3 20 20 A D H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.967 112.8 50.5 -64.0 -55.6 60.1 22.0 1.3 21 21 A E H > S+ 0 0 90 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.904 112.3 47.6 -49.1 -47.3 63.7 20.8 2.2 22 22 A F H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.859 110.7 52.8 -67.6 -35.5 63.1 21.4 5.9 23 23 A R H X S+ 0 0 116 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.916 112.8 43.1 -61.5 -45.6 59.7 19.6 5.7 24 24 A R H X S+ 0 0 123 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.882 108.6 57.6 -73.6 -41.7 61.3 16.5 4.1 25 25 A C H X S+ 0 0 8 -4,-2.6 4,-1.8 -5,-0.2 6,-0.4 0.887 108.3 48.8 -53.2 -43.9 64.3 16.4 6.4 26 26 A L H < S+ 0 0 3 -4,-1.5 192,-1.6 -5,-0.2 -2,-0.2 0.988 115.5 41.2 -60.4 -56.3 62.0 16.2 9.3 27 27 A R H < S+ 0 0 130 -4,-1.8 -2,-0.2 190,-0.2 3,-0.2 0.763 126.0 31.9 -68.2 -28.9 59.8 13.4 7.9 28 28 A D H < S+ 0 0 80 -4,-2.6 160,-0.4 1,-0.3 2,-0.2 0.712 135.7 12.7-107.1 -28.7 62.7 11.2 6.4 29 29 A K S < S- 0 0 22 -4,-1.8 2,-2.1 -5,-0.4 -1,-0.3 -0.749 72.8-148.8-146.8 101.3 65.6 11.8 8.8 30 30 A G + 0 0 0 -2,-0.2 175,-2.1 -3,-0.2 2,-0.3 0.038 63.9 76.9 -72.6 37.8 64.6 13.5 12.0 31 31 A L E + B 0 204A 0 -2,-2.1 2,-0.3 -6,-0.4 173,-0.2 -0.914 43.9 156.4-143.7 163.5 67.8 15.5 12.7 32 32 A F E - B 0 203A 0 171,-1.4 171,-2.5 -2,-0.3 -25,-0.2 -0.922 36.0-109.3-177.2 154.2 69.9 18.5 11.7 33 33 A Y E -aB 7 202A 14 -27,-2.1 -25,-0.9 -2,-0.3 2,-0.3 -0.501 35.0-151.7 -86.2 167.0 72.5 21.1 12.5 34 34 A L E -a 8 0A 3 167,-0.8 167,-0.3 -27,-0.2 -25,-0.2 -0.937 12.6-173.0-154.1 116.3 71.4 24.7 13.1 35 35 A T E +a 9 0A 33 -27,-3.0 -25,-1.7 -2,-0.3 -24,-0.2 -0.409 64.9 29.5 -95.6 177.2 73.0 28.1 12.7 36 36 A D S S+ 0 0 108 163,-0.3 -25,-0.7 -27,-0.2 -1,-0.2 0.806 72.8 124.6 41.6 58.5 71.8 31.6 13.7 37 37 A C S S- 0 0 19 2,-0.3 -1,-0.1 -3,-0.2 83,-0.1 -0.048 87.9 -91.4-134.1 33.7 69.7 30.7 16.7 38 38 A G S S+ 0 0 44 1,-0.3 2,-0.3 78,-0.0 78,-0.1 0.894 90.5 115.3 62.3 39.9 71.3 32.9 19.3 39 39 A L - 0 0 26 160,-0.1 -2,-0.3 77,-0.1 2,-0.3 -0.961 43.6-166.4-130.0 156.1 73.8 30.4 20.6 40 40 A T > - 0 0 54 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.985 32.2-128.3-144.4 139.4 77.5 30.9 20.3 41 41 A D H > S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.785 110.9 60.0 -60.4 -25.9 80.6 28.8 20.8 42 42 A T H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 104.1 47.1 -66.2 -50.4 82.0 31.5 23.1 43 43 A E H > S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.930 114.9 46.7 -56.9 -54.1 79.1 31.2 25.5 44 44 A L H >X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 3,-0.6 0.915 111.9 50.0 -45.0 -54.3 79.3 27.5 25.6 45 45 A K H 3X S+ 0 0 68 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.777 108.7 53.0 -70.0 -22.9 83.1 27.5 26.0 46 46 A S H 3X S+ 0 0 68 -4,-2.1 4,-1.0 -3,-0.2 -1,-0.3 0.754 111.9 45.9 -78.0 -28.5 82.9 30.0 28.9 47 47 A A H XX S+ 0 0 1 -4,-1.2 4,-1.5 -3,-0.6 3,-0.6 0.947 112.1 48.9 -77.4 -56.3 80.4 27.7 30.7 48 48 A K H >X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 3,-0.8 0.926 107.7 59.2 -40.2 -50.8 82.4 24.6 30.1 49 49 A D H 3X S+ 0 0 92 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.811 105.2 45.2 -61.4 -37.6 85.4 26.5 31.4 50 50 A L H - 0 0 54 -2,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.320 27.7-107.9 -69.5 159.3 87.4 21.0 48.1 60 60 A E H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 120.2 60.2 -41.4 -49.7 85.8 17.7 49.1 61 61 A A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 102.0 42.5 -53.0 -63.0 83.6 20.0 51.2 62 62 A E H 4 S+ 0 0 95 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.880 115.7 52.1 -58.1 -39.6 81.9 22.3 48.6 63 63 A K H >< S+ 0 0 39 -4,-1.6 3,-2.7 1,-0.2 -2,-0.2 0.982 105.9 52.1 -57.3 -63.4 81.3 19.3 46.3 64 64 A R H >< S+ 0 0 178 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.864 107.2 53.7 -38.0 -50.2 79.6 17.1 49.0 65 65 A A T 3< S+ 0 0 83 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.522 121.4 31.8 -72.9 -9.0 77.2 20.0 49.8 66 66 A V T < S+ 0 0 17 -3,-2.7 11,-0.8 -4,-0.4 -1,-0.3 -0.165 91.0 109.5-140.8 44.2 76.2 20.2 46.2 67 67 A T B < S-c 77 0A 41 -3,-1.4 11,-0.1 9,-0.2 9,-0.0 -0.735 87.8 -68.4-101.4 166.8 76.5 16.6 44.8 68 68 A S - 0 0 25 9,-1.9 8,-0.1 -2,-0.3 6,-0.1 -0.333 43.3-169.5 -64.0 124.6 73.3 14.8 44.0 69 69 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.970 88.0 34.8 -75.0 -80.2 71.2 14.0 47.1 70 70 A V S S- 0 0 89 1,-0.1 5,-0.3 5,-0.1 -2,-0.0 -0.668 90.9-149.2 -65.3 107.2 68.6 11.6 45.4 71 71 A P S S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.669 86.8 35.6 -61.4 -19.9 71.2 10.1 42.9 72 72 A T S S+ 0 0 127 2,-0.1 2,-0.4 3,-0.0 -2,-0.0 0.752 97.5 77.5-110.2 -37.5 68.6 9.4 40.1 73 73 A M S S- 0 0 108 1,-0.1 2,-0.8 2,-0.1 -3,-0.0 -0.738 97.1-119.5 -72.8 135.3 66.2 12.3 40.3 74 74 A R + 0 0 53 -2,-0.4 2,-0.3 -6,-0.1 -2,-0.1 -0.731 62.9 110.8-121.3 90.1 68.5 14.7 38.7 75 75 A R + 0 0 37 -2,-0.8 2,-0.3 -5,-0.3 15,-0.2 -0.892 67.2 8.5-150.2 120.2 70.1 18.0 39.8 76 76 A G E S- D 0 89A 1 13,-1.2 13,-1.5 -2,-0.3 2,-0.2 -0.817 93.0 -24.0 115.9-154.2 73.8 18.6 40.6 77 77 A F E +cD 67 88A 3 -11,-0.8 -9,-1.9 -2,-0.3 2,-0.3 -0.549 45.8 176.0-101.7 160.0 77.0 16.6 40.1 78 78 A T E + D 0 87A 38 9,-0.8 9,-1.4 -2,-0.2 -2,-0.0 -0.967 59.2 29.0-151.2 158.8 77.8 12.9 39.8 79 79 A G S S+ 0 0 57 -2,-0.3 6,-0.2 7,-0.2 -1,-0.1 0.800 81.5 108.0 60.4 35.0 80.9 10.8 39.1 80 80 A L + 0 0 32 6,-0.1 -1,-0.1 7,-0.1 6,-0.1 0.468 48.5 113.4-111.8 -8.1 83.4 13.2 40.7 81 81 A E 0 0 164 1,-0.1 -21,-0.0 -18,-0.0 -3,-0.0 -0.291 360.0 360.0 -76.9 148.5 84.3 11.2 43.8 82 82 A S 0 0 150 -2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.887 360.0 360.0 -62.1 360.0 87.6 9.5 44.8 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 97 A Y 0 0 231 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -39.0 85.6 8.3 33.8 85 98 A S - 0 0 8 -6,-0.2 2,-0.3 66,-0.1 66,-0.2 -0.951 360.0-168.1-143.2 122.4 82.6 10.7 33.4 86 99 A M E - E 0 150A 2 64,-1.8 64,-2.0 -2,-0.3 2,-0.3 -0.759 17.8-168.2 -99.0 158.3 81.7 13.7 35.5 87 100 A C E -DE 78 149A 0 -9,-1.4 -9,-0.8 -2,-0.3 2,-0.4 -0.952 16.7-158.9-158.8 127.3 78.3 15.2 34.9 88 101 A Y E -DE 77 148A 0 60,-1.6 60,-2.5 -2,-0.3 2,-0.3 -0.896 14.3-163.6-111.1 136.7 76.3 18.4 35.9 89 102 A S E +DE 76 147A 3 -13,-1.5 -13,-1.2 -2,-0.4 7,-0.4 -0.921 10.0 171.6-124.9 146.3 72.4 18.7 35.8 90 103 A M E + E 0 146A 4 56,-2.0 56,-1.7 -2,-0.3 2,-0.2 -0.934 3.9 169.7-141.8 166.0 69.9 21.6 35.8 91 104 A G - 0 0 2 -2,-0.3 54,-0.1 54,-0.2 4,-0.1 -0.701 58.2 -64.2-150.9-157.0 66.2 22.5 35.4 92 105 A T S S- 0 0 69 52,-0.4 2,-0.2 -2,-0.2 3,-0.1 0.845 111.1 -17.4 -69.0 -32.4 63.7 25.3 35.8 93 106 A A S S+ 0 0 46 1,-0.1 -2,-0.2 0, 0.0 -1,-0.1 -0.800 103.7 67.1-157.8-172.0 64.3 25.3 39.6 94 107 A D S S+ 0 0 138 -2,-0.2 2,-0.1 1,-0.2 -1,-0.1 0.806 71.0 159.4 50.4 35.1 65.7 23.4 42.7 95 108 A N - 0 0 27 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.433 36.1-135.2 -86.2 163.1 69.2 23.8 41.2 96 109 A L - 0 0 59 -7,-0.4 -7,-0.1 -2,-0.1 -30,-0.1 -0.978 21.5-172.8-124.8 127.3 72.5 23.5 43.1 97 110 A F - 0 0 45 -2,-0.4 3,-0.0 1,-0.1 -2,-0.0 -0.931 24.8-153.3-128.2 139.2 75.4 26.0 42.7 98 111 A P S S+ 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.847 80.5 3.3 -77.7 -36.9 79.0 26.2 43.9 99 112 A S S > S- 0 0 59 1,-0.1 4,-1.4 0, 0.0 0, 0.0 -0.792 73.4-104.7-138.0-178.1 79.4 30.0 43.8 100 113 A G H > S+ 0 0 41 -2,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.860 118.0 46.7 -76.3 -37.9 77.5 33.2 43.1 101 114 A D H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.874 107.6 56.6 -77.8 -40.1 79.1 33.8 39.7 102 115 A F H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.974 103.8 55.2 -47.1 -59.1 78.6 30.2 38.6 103 116 A E H X S+ 0 0 98 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.886 110.7 45.0 -42.8 -54.4 74.9 30.6 39.3 104 117 A R H X S+ 0 0 163 -4,-1.5 4,-2.0 2,-0.2 3,-0.4 0.967 115.2 45.1 -55.1 -59.0 74.7 33.7 37.0 105 118 A I H X S+ 0 0 67 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.882 120.1 40.1 -57.6 -41.4 76.7 32.2 34.1 106 119 A W H X S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.3 0.637 111.4 55.6 -89.5 -15.2 75.0 28.9 34.2 107 120 A T H X S+ 0 0 51 -4,-1.8 4,-2.0 -3,-0.4 -1,-0.2 0.778 113.1 43.5 -77.6 -30.9 71.5 30.3 34.8 108 121 A Q H X S+ 0 0 101 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.863 111.1 54.6 -81.4 -37.2 71.9 32.4 31.6 109 122 A Y H X S+ 0 0 9 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.875 110.4 47.0 -64.0 -40.5 73.4 29.5 29.7 110 123 A F H X S+ 0 0 8 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.969 111.0 50.8 -62.6 -56.2 70.4 27.5 30.6 111 124 A D H X S+ 0 0 74 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.864 110.0 49.9 -48.7 -43.1 67.9 30.2 29.6 112 125 A R H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 111.9 48.2 -67.4 -46.1 69.6 30.8 26.2 113 126 A Q H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.939 111.9 49.7 -50.0 -54.9 69.5 27.1 25.5 114 127 A Y H X S+ 0 0 22 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.884 110.2 50.1 -59.9 -43.2 65.8 26.9 26.5 115 128 A T H X S+ 0 0 70 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.917 113.0 46.5 -63.2 -43.7 64.9 29.9 24.3 116 129 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.948 111.2 52.1 -64.3 -47.9 66.6 28.3 21.3 117 130 A S H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.901 110.6 48.7 -52.4 -44.3 65.0 25.0 22.1 118 131 A R H X S+ 0 0 63 -4,-2.4 4,-3.3 -5,-0.2 -1,-0.2 0.946 110.8 51.3 -64.5 -45.8 61.6 26.7 22.1 119 132 A A H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.970 112.6 42.1 -58.3 -62.7 62.3 28.5 18.9 120 133 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.926 115.7 51.1 -51.1 -49.2 63.4 25.5 16.8 121 134 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.963 108.7 51.8 -49.3 -56.4 60.5 23.5 18.4 122 135 A R H X S+ 0 0 86 -4,-3.3 4,-2.4 1,-0.3 -1,-0.2 0.854 110.9 48.8 -46.2 -43.4 58.1 26.3 17.4 123 136 A E H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.913 103.8 59.0 -65.7 -45.4 59.4 26.1 13.9 124 137 A V H X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.843 111.6 42.2 -53.5 -35.3 59.0 22.4 13.8 125 138 A L H ><>S+ 0 0 1 -4,-1.6 5,-2.1 2,-0.2 3,-0.7 0.956 110.6 51.8 -78.4 -54.5 55.3 22.9 14.4 126 139 A R H ><5S+ 0 0 109 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.882 110.7 54.0 -44.8 -39.7 54.6 25.8 12.1 127 140 A A H 3<5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 111.6 40.3 -72.3 -34.7 56.3 23.6 9.4 128 141 A T T <<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.185 113.0-118.4 -92.2 14.3 54.0 20.6 9.9 129 142 A G T < 5 + 0 0 70 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.916 62.3 157.1 41.8 55.8 51.1 22.9 10.3 130 143 A T < - 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