==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-12 4DCL . COMPND 2 MOLECULE: PUTATIVE ACETYLTRANSFERASE SACOL2570; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.R.SAWAYA,N.P.KING,W.SHEFFLER,D.BAKER,T.O.YEATES . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 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 . 31 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 6 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 0 145 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 20.4 40.4 10.1 2 2 A T > - 0 0 78 1,-0.1 4,-2.2 11,-0.0 5,-0.2 -0.418 360.0-109.3 -79.2 163.3 19.3 36.8 9.6 3 3 A E H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.889 121.8 56.3 -63.4 -35.7 20.9 34.9 6.7 4 4 A K H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 107.1 49.7 -58.3 -45.3 17.4 35.0 5.0 5 5 A E H > S+ 0 0 104 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.902 110.7 48.4 -61.8 -42.2 17.5 38.8 5.3 6 6 A K H ><>S+ 0 0 64 -4,-2.2 5,-2.5 2,-0.2 3,-1.0 0.924 110.8 52.4 -64.3 -42.0 21.0 39.0 3.9 7 7 A M H ><5S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.3 121,-0.3 0.925 111.0 46.1 -56.8 -49.4 19.9 36.8 1.0 8 8 A L H 3<5S+ 0 0 85 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.488 109.1 57.0 -74.7 -4.9 16.9 39.0 0.2 9 9 A A T <<5S- 0 0 48 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.235 114.9-111.1-107.4 11.9 19.1 42.1 0.4 10 10 A E T < 5S+ 0 0 124 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.783 76.5 133.5 61.3 29.2 21.7 40.9 -2.3 11 11 A K < - 0 0 111 -5,-2.5 117,-0.5 -6,-0.2 -1,-0.2 -0.700 69.9 -87.2-102.8 161.1 24.3 40.5 0.4 12 12 A W + 0 0 103 -2,-0.2 2,-0.3 115,-0.1 115,-0.2 -0.475 57.1 178.8 -63.6 133.9 26.7 37.6 0.9 13 13 A Y E -A 126 0A 2 113,-2.4 113,-2.1 -2,-0.2 2,-1.8 -0.962 40.8-105.8-140.8 156.3 24.9 35.0 3.1 14 14 A D E > +A 125 0A 42 -2,-0.3 4,-1.4 111,-0.2 111,-0.2 -0.612 47.3 164.9 -85.1 79.6 25.6 31.6 4.6 15 15 A A T 4 + 0 0 0 -2,-1.8 -1,-0.2 109,-0.9 110,-0.1 0.826 68.1 48.7 -64.4 -38.9 23.4 29.6 2.2 16 16 A N T 4 S+ 0 0 73 108,-1.1 -1,-0.2 -3,-0.2 108,-0.1 0.818 119.8 28.3 -77.7 -33.0 24.8 26.3 3.0 17 17 A F T 4 S+ 0 0 133 106,-0.2 2,-0.4 107,-0.1 -2,-0.2 0.567 83.5 110.5-112.6 -8.1 24.8 26.1 6.8 18 18 A D X - 0 0 37 -4,-1.4 4,-2.3 1,-0.1 5,-0.1 -0.529 57.3-147.4 -71.0 126.0 21.9 28.4 8.0 19 19 A Q H > S+ 0 0 120 -2,-0.4 4,-2.5 2,-0.2 5,-0.1 0.851 92.5 52.0 -64.5 -41.7 19.2 26.3 9.6 20 20 A T H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 114.2 45.0 -62.0 -44.2 16.1 28.4 8.6 21 21 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.905 111.5 51.6 -65.3 -41.2 17.3 28.5 5.0 22 22 A I H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.921 112.3 48.3 -58.0 -44.9 18.0 24.7 5.0 23 23 A N H X S+ 0 0 88 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.875 111.2 48.5 -62.7 -45.2 14.5 24.2 6.4 24 24 A E H X S+ 0 0 31 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.891 112.7 48.7 -64.6 -40.3 12.8 26.4 3.8 25 25 A R H X S+ 0 0 53 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 111.1 50.6 -64.1 -41.7 14.8 24.6 1.0 26 26 A L H X S+ 0 0 106 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.914 107.4 53.8 -61.3 -43.4 13.7 21.2 2.5 27 27 A R H X S+ 0 0 66 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.943 112.7 43.6 -53.4 -53.6 10.0 22.4 2.5 28 28 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 42,-0.3 -1,-0.2 0.857 111.2 54.2 -63.6 -36.4 10.2 23.3 -1.2 29 29 A K H X S+ 0 0 140 -4,-2.5 4,-2.9 41,-0.2 -1,-0.2 0.895 108.9 49.5 -66.2 -35.7 12.1 20.0 -2.0 30 30 A V H X S+ 0 0 81 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.888 111.2 47.9 -69.5 -40.6 9.3 18.0 -0.3 31 31 A I H X S+ 0 0 23 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.952 113.1 47.9 -68.4 -43.8 6.6 19.8 -2.2 32 32 A C H X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.937 110.0 53.1 -59.0 -48.1 8.5 19.3 -5.5 33 33 A F H X S+ 0 0 134 -4,-2.9 4,-0.7 2,-0.2 -1,-0.2 0.918 111.9 45.9 -53.1 -48.0 9.0 15.7 -4.7 34 34 A A H >< S+ 0 0 32 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.938 115.0 46.3 -58.8 -50.9 5.2 15.3 -4.0 35 35 A L H >< S+ 0 0 1 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.901 109.9 53.8 -58.8 -44.1 4.3 17.1 -7.2 36 36 A N H 3< S+ 0 0 37 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.569 111.8 45.8 -69.6 -12.5 6.8 15.2 -9.3 37 37 A H T << S+ 0 0 132 -3,-1.1 2,-0.5 -4,-0.7 -1,-0.3 0.018 89.5 105.9-119.6 19.1 5.3 11.9 -8.1 38 38 A T S < S- 0 0 3 -3,-1.7 27,-0.1 -5,-0.1 -3,-0.0 -0.916 80.3-111.0-103.8 125.5 1.7 13.0 -8.7 39 39 A N > - 0 0 99 -2,-0.5 3,-2.1 1,-0.1 7,-0.2 -0.206 23.9-125.4 -50.7 130.7 -0.0 11.4 -11.7 40 40 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.787 108.5 61.3 -57.3 -25.1 -0.6 14.2 -14.3 41 41 A S T 3 S+ 0 0 97 1,-0.2 2,-1.8 2,-0.1 3,-0.2 0.492 77.6 90.9 -79.9 -2.3 -4.4 13.3 -14.4 42 42 A A <> + 0 0 36 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.511 55.7 167.7 -90.5 67.5 -4.7 14.2 -10.7 43 43 A T H > + 0 0 75 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.874 68.4 47.6 -49.0 -49.1 -5.6 17.8 -11.7 44 44 A L H > S+ 0 0 136 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.953 111.7 47.9 -64.0 -50.4 -6.8 18.9 -8.3 45 45 A K H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 112.2 51.3 -58.4 -40.9 -3.9 17.5 -6.3 46 46 A R H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 108.4 50.7 -63.0 -42.9 -1.5 19.1 -8.7 47 47 A K H X S+ 0 0 124 -4,-2.2 4,-2.5 1,-0.2 11,-0.2 0.905 111.1 49.7 -60.9 -41.5 -3.1 22.5 -8.5 48 48 A V H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.908 111.7 47.2 -63.5 -45.3 -2.9 22.3 -4.7 49 49 A L H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.919 111.1 50.4 -65.3 -44.9 0.7 21.4 -4.7 50 50 A I H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.933 112.1 48.4 -58.3 -46.7 1.7 24.1 -7.1 51 51 A D H X>S+ 0 0 40 -4,-2.5 5,-1.6 1,-0.2 4,-0.9 0.874 112.0 49.3 -62.0 -37.7 -0.2 26.7 -5.0 52 52 A A H <5S+ 0 0 43 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.898 110.7 51.4 -67.6 -40.9 1.5 25.4 -1.9 53 53 A L H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.3 33.2 -62.8 -48.4 4.9 25.5 -3.5 54 54 A F H <5S- 0 0 4 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.480 102.0-131.6 -87.8 -4.7 4.6 29.1 -4.7 55 55 A Q T <5S+ 0 0 116 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.886 74.5 92.4 53.7 44.1 2.5 30.1 -1.7 56 56 A T S S+ 0 0 0 17,-0.3 3,-1.5 1,-0.1 -19,-0.1 -0.341 83.5 72.5 86.2 -51.3 9.1 28.5 -4.2 73 73 A W T 3 S+ 0 0 26 -2,-1.1 -1,-0.1 1,-0.3 -19,-0.1 0.611 89.5 62.9 -68.7 -14.1 7.8 31.6 -2.3 74 74 A N T 3 S+ 0 0 7 19,-0.1 21,-2.5 2,-0.0 2,-0.6 0.177 83.0 90.6 -98.4 16.3 10.5 33.6 -4.0 75 75 A V E < -l 95 0D 2 -3,-1.5 2,-0.6 19,-0.2 21,-0.2 -0.972 64.7-161.6-108.8 113.6 9.1 32.9 -7.5 76 76 A K E -l 96 0D 101 19,-2.9 21,-3.2 -2,-0.6 2,-0.4 -0.905 14.5-165.3-101.7 118.8 6.6 35.6 -8.4 77 77 A L E -l 97 0D 39 -2,-0.6 21,-0.2 19,-0.2 22,-0.1 -0.903 16.4-155.2-115.4 142.0 4.3 34.5 -11.1 78 78 A G - 0 0 16 19,-1.1 -19,-0.4 20,-0.9 2,-0.2 -0.021 43.9 -77.1 -84.6-168.6 1.8 36.2 -13.5 79 79 A K S S+ 0 0 98 1,-0.2 21,-2.3 -21,-0.1 -19,-0.2 -0.646 106.9 28.3 -92.6 157.7 -1.1 34.4 -15.1 80 80 A N S S+ 0 0 37 -21,-1.9 21,-1.5 -2,-0.2 2,-0.5 0.978 73.8 160.9 58.1 61.2 -0.8 32.0 -18.1 81 81 A V E -bc 61 101B 0 -21,-1.4 -19,-2.6 -3,-0.2 2,-0.6 -0.983 22.3-161.4-114.7 122.1 2.7 30.8 -17.4 82 82 A Y E -bc 62 102B 67 19,-3.0 21,-3.6 -2,-0.5 2,-0.6 -0.952 6.5-173.1-113.2 114.9 3.5 27.5 -19.2 83 83 A V E -bc 63 103B 3 -21,-3.3 -19,-2.5 -2,-0.6 21,-0.2 -0.955 9.9-154.6-112.3 116.4 6.5 25.6 -17.8 84 84 A N - 0 0 78 19,-2.6 3,-0.4 -2,-0.6 -20,-0.1 -0.117 43.7 -46.1 -79.6-179.9 7.6 22.5 -19.8 85 85 A T S S+ 0 0 47 1,-0.2 21,-2.7 -20,-0.1 22,-0.3 -0.139 111.7 6.0 -57.2 141.6 9.4 19.5 -18.4 86 86 A N S S+ 0 0 85 -20,-1.7 2,-0.3 -22,-0.5 -19,-0.2 0.893 77.3 158.5 59.1 51.2 12.4 19.6 -16.1 87 87 A C E -h 67 0C 4 -21,-0.9 -19,-1.6 -3,-0.4 2,-0.4 -0.690 26.0-153.9 -97.9 157.8 12.8 23.3 -15.3 88 88 A Y E -hi 68 108C 58 19,-2.0 21,-2.7 -2,-0.3 2,-0.8 -0.969 8.7-166.6-136.1 118.3 14.5 24.7 -12.3 89 89 A F E -hi 69 109C 0 -21,-2.7 -19,-1.2 -2,-0.4 2,-1.2 -0.872 9.4-165.7-104.4 93.0 13.8 28.0 -10.7 90 90 A M E + i 0 110C 34 19,-2.5 21,-1.2 -2,-0.8 3,-0.4 -0.737 16.6 177.7 -82.4 91.9 16.8 28.5 -8.4 91 91 A D + 0 0 0 -2,-1.2 4,-0.2 1,-0.2 -1,-0.1 0.013 39.8 119.1-102.8 27.7 15.2 31.3 -6.5 92 92 A G S S+ 0 0 3 2,-0.1 2,-0.4 35,-0.1 -1,-0.2 0.933 89.9 46.8 -50.0 -45.4 17.5 32.5 -3.7 93 93 A G S S- 0 0 4 -3,-0.4 38,-0.2 36,-0.2 36,-0.1 -0.799 120.2 -92.0 -92.8 133.6 17.3 35.7 -5.6 94 94 A Q - 0 0 71 -2,-0.4 37,-2.1 34,-0.1 2,-0.6 -0.191 34.0-151.1 -51.0 135.1 13.7 36.5 -6.5 95 95 A I E -lm 75 131D 0 -21,-2.5 -19,-2.9 35,-0.2 2,-0.5 -0.967 12.7-166.5-110.6 111.9 12.5 35.2 -9.9 96 96 A T E -lm 76 132D 40 35,-2.9 37,-3.1 -2,-0.6 2,-0.4 -0.915 5.7-175.5-104.3 123.6 9.8 37.5 -11.3 97 97 A I E -lm 77 133D 3 -21,-3.2 -19,-1.1 -2,-0.5 37,-0.2 -0.987 11.6-146.4-122.8 128.5 7.8 36.1 -14.2 98 98 A G - 0 0 13 35,-1.6 -20,-0.9 -2,-0.4 3,-0.3 0.227 34.8 -67.6 -74.4-164.5 5.2 38.1 -16.0 99 99 A D S S+ 0 0 58 1,-0.2 37,-2.7 -21,-0.2 -19,-0.2 -0.662 109.3 20.8 -89.6 151.3 1.9 37.1 -17.7 100 100 A N S S+ 0 0 53 -21,-2.3 37,-0.5 -2,-0.3 2,-0.4 0.981 80.8 161.3 58.2 61.5 1.7 34.9 -20.8 101 101 A V E -c 81 0B 0 -21,-1.5 -19,-3.0 -3,-0.3 2,-0.6 -0.973 27.7-156.8-119.4 128.3 5.2 33.4 -20.6 102 102 A F E -cd 82 138B 102 35,-2.5 37,-2.9 -2,-0.4 2,-0.6 -0.932 9.6-170.4-107.4 114.3 6.2 30.2 -22.4 103 103 A I E -cd 83 139B 5 -21,-3.6 -19,-2.6 -2,-0.6 37,-0.1 -0.949 13.4-143.0-112.0 119.1 9.1 28.3 -20.8 104 104 A G > - 0 0 9 35,-1.3 3,-0.6 -2,-0.6 -20,-0.2 -0.020 34.4 -75.2 -68.9 173.3 10.6 25.4 -22.8 105 105 A P T 3 S+ 0 0 39 0, 0.0 37,-2.4 0, 0.0 38,-0.3 -0.355 109.6 21.1 -72.0 156.0 11.9 22.1 -21.4 106 106 A N T 3 S+ 0 0 74 -21,-2.7 2,-0.4 35,-0.2 -19,-0.2 0.834 83.6 154.4 59.9 33.3 15.2 21.8 -19.5 107 107 A C < - 0 0 3 -3,-0.6 -19,-2.0 -22,-0.3 2,-0.4 -0.790 26.5-162.1 -94.6 143.4 15.4 25.5 -18.6 108 108 A G E -ij 88 144C 2 35,-2.7 37,-2.4 -2,-0.4 2,-0.6 -0.990 9.9-167.0-127.0 127.0 17.4 26.7 -15.7 109 109 A F E -ij 89 145C 0 -21,-2.7 -19,-2.5 -2,-0.4 2,-0.6 -0.956 18.9-168.8-113.9 103.7 16.9 30.1 -14.0 110 110 A Y E +i 90 0C 88 35,-2.8 -19,-0.1 -2,-0.6 -21,-0.1 -0.886 23.4 167.4-106.2 117.6 19.9 30.5 -11.7 111 111 A T + 0 0 0 -21,-1.2 18,-2.9 -2,-0.6 2,-0.4 0.490 47.7 103.8-103.8 -3.8 20.1 33.3 -9.1 112 112 A A E -P 128 0E 24 16,-0.2 2,-0.4 -22,-0.1 16,-0.2 -0.662 44.9-172.6 -90.0 131.2 23.0 32.1 -7.1 113 113 A T E -P 127 0E 58 14,-2.1 14,-2.2 -2,-0.4 -2,-0.0 -0.953 7.6-161.4-112.4 134.5 26.5 33.5 -7.3 114 114 A H - 0 0 81 -2,-0.4 12,-0.2 12,-0.2 7,-0.1 -0.823 32.8 -95.1-106.1 156.9 29.3 31.7 -5.4 115 115 A P - 0 0 10 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 -0.426 24.2-138.1 -64.5 145.8 32.6 33.4 -4.6 116 116 A L S S+ 0 0 168 -2,-0.1 2,-0.3 5,-0.1 -2,-0.0 0.888 87.0 82.8 -70.3 -37.5 35.3 32.7 -7.2 117 117 A N S > S- 0 0 80 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.509 78.4-144.3 -67.9 120.7 37.9 32.2 -4.4 118 118 A F H > S+ 0 0 109 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.807 93.7 63.3 -62.9 -29.2 37.5 28.7 -3.1 119 119 A H H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.947 111.4 36.8 -60.5 -46.9 38.2 29.6 0.5 120 120 A H H >4>S+ 0 0 112 -3,-0.3 5,-1.2 2,-0.2 3,-0.7 0.889 118.0 51.4 -70.8 -41.5 35.1 31.8 0.7 121 121 A R H ><5S+ 0 0 94 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.932 103.7 57.7 -62.8 -44.5 33.1 29.5 -1.5 122 122 A N H 3<5S+ 0 0 110 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.694 97.0 63.3 -59.3 -20.7 33.9 26.4 0.7 123 123 A E T <<5S- 0 0 120 -4,-0.7 -1,-0.3 -3,-0.7 -106,-0.2 0.556 119.6-111.1 -80.2 -9.1 32.5 28.2 3.7 124 124 A G T < 5 + 0 0 3 -3,-2.4 -108,-1.1 1,-0.3 -109,-0.9 0.540 61.1 156.3 94.0 10.3 29.1 28.2 1.9 125 125 A F E < +A 14 0A 64 -5,-1.2 2,-0.3 -111,-0.2 -1,-0.3 -0.437 12.1 171.3 -71.4 143.7 28.7 31.9 1.1 126 126 A E E -A 13 0A 25 -113,-2.1 -113,-2.4 -12,-0.2 2,-0.4 -0.933 23.9-146.6-141.8 163.3 26.5 32.9 -1.8 127 127 A K E -P 113 0E 74 -14,-2.2 -14,-2.1 -2,-0.3 2,-0.4 -0.994 19.3-137.4-135.8 128.7 25.0 36.1 -3.2 128 128 A A E -P 112 0E 3 -117,-0.5 -16,-0.2 -2,-0.4 -34,-0.1 -0.768 13.8-168.6 -94.5 127.7 21.6 36.1 -4.8 129 129 A G - 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