==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 21-DEC-11 3V7S . COMPND 2 MOLECULE: BIOTIN LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.Y.YAP,N.R.PENDINI . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 23.0 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 1 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 3 0 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A S > 0 0 119 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-165.0 35.0 17.1 50.0 2 3 A K T 3 + 0 0 183 1,-0.3 4,-0.1 2,-0.1 3,-0.0 0.622 360.0 31.8 -49.1 -23.2 32.9 13.9 49.7 3 4 A Y T 3> S+ 0 0 83 2,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.418 83.7 103.2-123.2 -2.5 29.8 15.7 48.5 4 5 A S H <> S+ 0 0 10 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.910 85.8 45.3 -48.9 -53.1 31.0 18.6 46.4 5 6 A Q H > S+ 0 0 56 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.849 110.9 56.8 -65.8 -30.2 30.3 17.1 43.0 6 7 A D H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.948 108.1 43.7 -67.1 -49.0 27.0 16.0 44.2 7 8 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.935 114.8 53.0 -55.5 -47.5 25.9 19.5 45.2 8 9 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.864 103.4 55.7 -57.5 -41.4 27.3 20.7 41.9 9 10 A Q H X S+ 0 0 24 -4,-2.7 4,-3.6 2,-0.2 -1,-0.2 0.932 110.3 45.6 -59.5 -44.0 25.4 18.1 40.0 10 11 A L H X S+ 0 0 23 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.958 110.1 53.0 -66.7 -50.4 22.1 19.4 41.5 11 12 A L H < S+ 0 0 1 -4,-2.7 48,-0.5 1,-0.2 4,-0.4 0.845 116.0 41.8 -49.1 -39.0 23.0 23.0 40.9 12 13 A Y H >< S+ 0 0 58 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.953 112.4 51.6 -78.9 -50.8 23.6 22.2 37.3 13 14 A K H 3< S+ 0 0 119 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.866 108.6 54.1 -47.2 -40.6 20.7 19.9 36.8 14 15 A N T >< S+ 0 0 60 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.2 0.536 85.8 165.3 -83.9 -9.8 18.3 22.5 38.2 15 16 A K T < + 0 0 89 -3,-1.2 3,-0.1 -4,-0.4 45,-0.0 -0.081 58.5 22.4 -52.4 149.1 19.1 25.5 36.0 16 17 A P T 3 S+ 0 0 115 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.752 115.4 86.9 -87.7 37.5 17.7 28.2 35.4 17 18 A N S < S- 0 0 107 -3,-1.5 42,-0.3 -6,-0.1 2,-0.2 -0.787 72.9-126.8-105.1 140.2 16.1 27.5 38.7 18 19 A Y - 0 0 58 -2,-0.4 2,-0.4 40,-0.1 40,-0.2 -0.511 24.0-159.4 -70.6 143.2 17.1 28.2 42.3 19 20 A I B -A 57 0A 19 38,-1.7 38,-3.5 -2,-0.2 2,-0.1 -0.993 18.6-115.3-128.1 142.1 17.1 25.2 44.8 20 21 A S > - 0 0 46 -2,-0.4 4,-2.1 36,-0.3 5,-0.2 -0.364 15.8-124.4 -75.5 149.0 17.0 25.4 48.5 21 22 A G H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.944 116.6 55.7 -49.4 -48.0 19.8 24.4 50.9 22 23 A Q H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.951 104.3 49.8 -47.6 -63.7 17.1 22.2 52.4 23 24 A S H > S+ 0 0 49 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.812 112.8 47.4 -49.4 -40.9 16.2 20.5 49.1 24 25 A I H >X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 3,-0.9 0.974 107.0 57.5 -65.4 -52.9 19.8 19.7 48.5 25 26 A A H 3<>S+ 0 0 7 -4,-3.0 5,-2.1 1,-0.3 -2,-0.2 0.767 108.9 45.7 -49.5 -32.7 20.3 18.4 52.0 26 27 A E H 3<5S+ 0 0 130 -4,-1.6 3,-0.3 3,-0.2 -1,-0.3 0.759 109.4 54.1 -85.1 -26.2 17.5 15.9 51.5 27 28 A S H <<5S+ 0 0 74 -4,-1.4 -2,-0.2 -3,-0.9 -3,-0.1 0.980 120.4 32.2 -65.4 -51.8 18.7 14.7 48.1 28 29 A L T <5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.167 106.7-127.1 -93.6 16.4 22.1 13.9 49.5 29 30 A N T 5 + 0 0 145 -3,-0.3 2,-0.3 -5,-0.2 -3,-0.2 0.849 66.2 122.2 37.8 51.7 20.9 13.0 53.0 30 31 A I < - 0 0 38 -5,-2.1 -1,-0.1 -6,-0.2 -2,-0.1 -0.895 66.6 -73.5-133.7 170.6 23.2 15.4 54.8 31 32 A S > - 0 0 63 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.197 32.6-125.7 -65.3 148.4 22.8 18.3 57.2 32 33 A R H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.835 112.9 51.1 -59.5 -34.6 21.6 21.7 56.2 33 34 A T H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.750 104.0 58.6 -85.0 -17.2 24.7 23.4 57.6 34 35 A A H > S+ 0 0 30 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.917 103.9 52.3 -65.1 -47.3 26.9 20.9 55.7 35 36 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.930 107.7 49.9 -58.0 -48.9 25.4 22.2 52.5 36 37 A K H X S+ 0 0 83 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.930 113.0 49.8 -54.6 -40.9 26.1 25.8 53.5 37 38 A K H X S+ 0 0 157 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.859 110.9 47.1 -66.5 -39.1 29.6 24.6 54.1 38 39 A V H X S+ 0 0 13 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.722 112.4 51.6 -74.8 -26.7 30.0 22.8 50.8 39 40 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 3,-0.2 0.981 103.2 54.8 -73.3 -53.2 28.6 25.8 48.9 40 41 A D H X S+ 0 0 77 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.773 108.5 51.5 -53.1 -36.0 31.0 28.4 50.5 41 42 A Q H X S+ 0 0 85 -4,-1.0 4,-3.5 2,-0.2 -1,-0.3 0.933 108.2 49.6 -63.0 -54.9 34.0 26.3 49.3 42 43 A L H <>S+ 0 0 0 -4,-1.4 5,-2.5 2,-0.2 -2,-0.2 0.899 112.0 49.9 -48.8 -43.7 32.7 26.1 45.7 43 44 A K H ><5S+ 0 0 62 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.964 111.6 47.1 -64.6 -47.9 32.2 29.8 45.8 44 45 A L H 3<5S+ 0 0 138 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.900 103.4 63.3 -60.1 -39.4 35.7 30.2 47.1 45 46 A E T 3<5S- 0 0 64 -4,-3.5 -1,-0.3 1,-0.1 -2,-0.2 0.318 132.3 -93.8 -66.8 10.6 36.9 27.8 44.4 46 47 A G T < 5S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.686 77.5 146.6 82.4 20.2 35.7 30.5 42.0 47 48 A C < - 0 0 7 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.674 42.7-140.4 -76.6 141.6 32.1 29.2 41.3 48 49 A K E +B 61 0A 116 13,-2.7 13,-1.9 -2,-0.3 12,-1.9 -0.913 35.6 158.6-107.6 103.7 29.6 31.9 40.8 49 50 A I E -B 59 0A 15 -2,-0.8 2,-0.6 10,-0.3 10,-0.2 -0.984 35.2-135.2-118.8 137.5 26.4 30.9 42.5 50 51 A D E -B 58 0A 55 8,-2.5 8,-2.3 -2,-0.4 2,-0.5 -0.841 18.0-164.6 -91.9 119.5 23.6 33.2 43.6 51 52 A S E +B 57 0A 41 -2,-0.6 2,-0.4 6,-0.2 6,-0.2 -0.934 10.1 179.7-106.1 124.9 22.3 32.5 47.1 52 53 A V E >> -B 56 0A 53 4,-3.1 4,-3.6 -2,-0.5 3,-1.7 -0.992 30.3-112.0-133.6 125.5 19.0 34.2 47.9 53 54 A N T 34 S+ 0 0 144 -2,-0.4 -33,-0.0 1,-0.3 -2,-0.0 -0.164 99.7 8.2 -58.7 144.0 17.2 33.8 51.2 54 55 A H T 34 S+ 0 0 208 1,-0.1 -1,-0.3 0, 0.0 -34,-0.1 0.338 130.7 62.9 66.6 -8.8 14.0 31.9 51.3 55 56 A K T <4 S- 0 0 117 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.788 89.0-147.8-111.9 -44.6 14.8 31.0 47.7 56 57 A G E < - B 0 52A 10 -4,-3.6 -4,-3.1 -36,-0.1 2,-0.3 -0.816 36.1 -25.1 108.5-147.0 18.1 29.0 47.7 57 58 A H E -AB 19 51A 11 -38,-3.5 -38,-1.7 -2,-0.3 2,-0.5 -0.812 35.3-165.5-118.8 144.8 20.9 28.8 45.2 58 59 A L E - B 0 50A 22 -8,-2.3 -8,-2.5 -2,-0.3 2,-1.0 -0.970 21.9-136.2-129.9 122.4 21.5 29.3 41.5 59 60 A L E + B 0 49A 2 -48,-0.5 -10,-0.3 -2,-0.5 3,-0.1 -0.608 34.0 168.6 -72.8 105.6 24.5 28.1 39.6 60 61 A Q E - 0 0 88 -12,-1.9 2,-0.3 -2,-1.0 -11,-0.2 0.969 56.3 -6.4 -83.4 -57.2 25.3 31.1 37.5 61 62 A Q E - B 0 48A 66 -13,-1.9 -13,-2.7 178,-0.0 -1,-0.3 -0.995 63.9-133.2-149.7 139.7 28.8 30.6 35.9 62 63 A L - 0 0 14 -2,-0.3 178,-0.2 -15,-0.2 -15,-0.1 -0.633 19.7-118.8 -99.3 151.6 31.6 28.0 36.4 63 64 A P - 0 0 18 0, 0.0 2,-2.8 0, 0.0 -1,-0.1 -0.291 41.7 -87.1 -85.8 176.6 35.3 28.4 36.8 64 65 A D S S+ 0 0 47 -18,-0.1 2,-0.4 2,-0.1 149,-0.0 -0.268 96.5 101.3 -78.5 57.8 38.1 27.2 34.6 65 66 A I S S- 0 0 57 -2,-2.8 2,-0.5 65,-0.0 23,-0.1 -0.997 73.2-123.3-139.0 137.8 38.2 23.9 36.3 66 67 A W - 0 0 10 -2,-0.4 2,-0.5 21,-0.2 47,-0.1 -0.758 23.5-160.5 -85.8 127.3 36.7 20.6 35.2 67 68 A Y > - 0 0 11 -2,-0.5 4,-2.4 1,-0.2 3,-0.3 -0.937 13.9-148.8-108.2 122.2 34.2 19.1 37.7 68 69 A Q H > S+ 0 0 62 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.959 97.0 60.4 -46.1 -59.5 33.5 15.4 37.4 69 70 A G H > S+ 0 0 2 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.809 108.9 41.3 -40.9 -49.8 30.0 16.0 38.6 70 71 A I H >> S+ 0 0 0 -3,-0.3 3,-1.3 2,-0.2 4,-1.2 0.921 110.3 56.5 -67.0 -45.2 29.1 18.3 35.8 71 72 A I H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 3,-1.4 0.941 98.2 63.3 -53.7 -45.3 30.8 16.3 33.2 72 73 A D H 3X S+ 0 0 47 -4,-2.7 4,-3.3 1,-0.3 -1,-0.3 0.791 96.8 58.8 -46.5 -35.0 28.6 13.3 34.3 73 74 A Q H < S+ 0 0 15 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.903 106.6 57.5 -62.7 -41.5 27.8 11.8 29.8 76 77 A K H 3< S+ 0 0 141 -4,-3.3 2,-1.0 1,-0.3 -1,-0.2 0.919 111.1 42.0 -55.6 -45.1 24.3 10.8 31.1 77 78 A S T 3< S+ 0 0 99 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.3 -0.525 94.8 102.4-108.3 66.8 22.5 12.4 28.3 78 79 A S < - 0 0 37 -2,-1.0 -4,-0.0 -3,-0.7 -3,-0.0 -0.985 53.8-155.7-151.0 131.3 24.7 11.3 25.3 79 80 A A S S+ 0 0 89 -2,-0.3 -1,-0.2 1,-0.1 -4,-0.0 0.992 94.4 46.1 -68.0 -58.8 24.3 8.6 22.6 80 81 A L S S+ 0 0 29 1,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.820 103.0 60.0 -52.1 -53.3 27.9 8.3 21.8 81 82 A F - 0 0 10 1,-0.1 27,-0.2 -6,-0.1 -3,-0.2 -0.726 47.5-168.0-102.1 132.6 29.7 8.1 25.2 82 83 A D S S- 0 0 104 25,-2.5 2,-0.3 -2,-0.4 26,-0.2 0.884 73.2 -34.7 -72.5 -43.0 29.4 5.6 28.1 83 84 A F E -c 108 0B 70 24,-1.0 26,-1.0 2,-0.0 2,-0.3 -0.900 55.3-134.7-161.8-171.0 31.3 7.6 30.8 84 85 A S E -c 109 0B 10 -2,-0.3 2,-0.4 24,-0.2 26,-0.2 -0.983 8.0-136.6-154.0 156.6 34.3 10.0 31.2 85 86 A E E -c 110 0B 42 24,-2.2 26,-1.9 -2,-0.3 2,-0.4 -0.960 19.1-166.4-116.8 142.0 37.2 10.5 33.5 86 87 A V E +c 111 0B 18 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.991 8.6 176.8-130.0 129.3 38.1 14.0 34.8 87 88 A Y E -c 112 0B 77 24,-2.9 26,-1.6 -2,-0.4 -21,-0.2 -0.925 34.9-146.7-128.0 153.4 41.4 15.0 36.5 88 89 A D E S- 0 0 92 1,-0.3 26,-1.2 -2,-0.3 2,-0.3 0.848 93.9 -0.5 -82.5 -32.3 42.9 18.1 37.7 89 90 A S E +c 114 0B 37 24,-0.2 -1,-0.3 23,-0.1 2,-0.3 -0.957 68.9 154.8-154.8 139.4 46.3 16.7 36.7 90 91 A I E -c 115 0B 35 24,-1.7 26,-2.7 -2,-0.3 27,-0.4 -0.906 51.9-104.1-149.1 171.3 47.7 13.6 35.1 91 92 A D S S- 0 0 53 -2,-0.3 26,-2.7 1,-0.2 2,-0.3 0.993 99.2 -24.7 -60.0 -61.5 50.7 12.5 33.1 92 93 A S > - 0 0 5 23,-0.1 4,-2.5 24,-0.1 -1,-0.2 -0.915 42.8-143.8-159.1 125.9 48.7 12.3 29.8 93 94 A T H > S+ 0 0 4 -2,-0.3 4,-3.7 2,-0.2 5,-0.2 0.866 109.0 55.5 -53.2 -36.3 45.0 11.9 29.0 94 95 A Q H > S+ 0 0 13 1,-0.2 4,-3.9 2,-0.2 -1,-0.2 0.962 107.7 47.3 -65.5 -50.0 46.2 9.9 26.0 95 96 A L H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 115.3 46.1 -49.2 -46.5 48.2 7.6 28.2 96 97 A A H X S+ 0 0 5 -4,-2.5 4,-3.6 2,-0.2 3,-0.3 0.958 112.4 49.0 -69.8 -48.4 45.2 7.2 30.5 97 98 A A H X S+ 0 0 0 -4,-3.7 4,-2.1 1,-0.2 5,-0.2 0.973 107.4 57.2 -51.8 -51.5 42.8 6.6 27.6 98 99 A K H < S+ 0 0 81 -4,-3.9 4,-0.3 -5,-0.2 -1,-0.2 0.865 113.8 38.7 -52.5 -35.3 45.3 4.1 26.3 99 100 A K H >< S+ 0 0 131 -4,-1.7 3,-1.6 -3,-0.3 -2,-0.2 0.937 112.1 55.6 -76.4 -48.9 45.1 2.2 29.6 100 101 A S H 3< S+ 0 0 33 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.733 100.8 59.1 -58.6 -26.8 41.3 2.6 30.2 101 102 A L T >< S+ 0 0 2 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.3 0.653 79.7 109.6 -76.1 -18.1 40.3 1.1 26.8 102 103 A V T < S+ 0 0 104 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.390 85.7 3.8 -65.7 130.5 42.0 -2.2 27.5 103 104 A G T 3 S+ 0 0 78 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.629 116.5 71.3 79.7 18.5 39.7 -5.2 28.1 104 105 A N S < S- 0 0 54 -3,-1.1 -1,-0.1 2,-0.1 0, 0.0 -0.968 70.8-132.7-159.0 157.2 36.3 -3.5 27.5 105 106 A Q + 0 0 132 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.1 0.128 57.1 136.7-104.8 20.3 34.3 -2.1 24.6 106 107 A S - 0 0 29 -5,-0.1 2,-0.4 -25,-0.0 -2,-0.1 -0.023 45.7-141.9 -60.5 165.1 33.3 1.2 26.2 107 108 A S + 0 0 17 96,-0.1 -25,-2.5 34,-0.0 -24,-1.0 -0.996 42.1 130.0-128.2 137.9 33.3 4.6 24.6 108 109 A F E -cD 83 139B 0 31,-1.4 31,-3.0 -2,-0.4 2,-0.3 -0.978 41.4-124.3-170.7 168.4 34.4 7.5 26.7 109 110 A F E -cD 84 138B 1 -26,-1.0 -24,-2.2 -2,-0.3 2,-0.4 -0.938 11.8-142.5-132.3 161.5 36.6 10.5 27.0 110 111 A I E -cD 85 137B 0 27,-2.8 27,-1.5 -2,-0.3 2,-0.4 -0.934 15.2-175.2-119.9 144.4 39.3 11.8 29.5 111 112 A L E +cD 86 136B 0 -26,-1.9 -24,-2.9 -2,-0.4 2,-0.3 -0.998 2.9 178.4-139.5 142.1 39.9 15.4 30.6 112 113 A S E -cD 87 135B 0 23,-1.5 23,-0.6 -2,-0.4 -24,-0.2 -0.986 30.2-140.2-143.1 146.9 42.6 16.9 32.7 113 114 A D E S+ 0 0 6 -26,-1.6 19,-0.5 -2,-0.3 20,-0.4 0.909 93.4 13.7 -75.5 -41.3 43.3 20.4 33.8 114 115 A E E -c 89 0B 62 -26,-1.2 -24,-1.7 16,-0.2 2,-0.5 -0.976 64.0-152.7-131.0 147.8 47.0 20.0 33.4 115 116 A Q E -cE 90 128B 24 13,-1.1 13,-0.5 -2,-0.4 3,-0.3 -0.990 4.2-168.7-113.1 126.1 49.1 17.3 31.7 116 117 A T S S+ 0 0 91 -26,-2.7 -25,-0.2 -2,-0.5 -24,-0.1 0.756 88.8 23.1 -83.7 -24.8 52.5 16.9 33.2 117 118 A K S S+ 0 0 117 -26,-2.7 -1,-0.2 -27,-0.4 2,-0.1 -0.290 81.6 164.5-139.2 48.7 53.8 14.7 30.4 118 119 A G - 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