==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-DEC-11 3V4E . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR A.A.KNAPIK,I.A.SHUMILIN,H.-B.LUO,M.CHRUSZCZ,M.D.ZIMMERMAN, . 564 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 85 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 15 21 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 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 6 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 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 0 120 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.0 -9.3 -22.5 26.7 2 2 A T > - 0 0 70 1,-0.1 4,-2.3 11,-0.0 5,-0.1 -0.345 360.0-108.8 -71.2 168.3 -9.6 -22.9 23.0 3 3 A E H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 8,-0.1 0.864 120.8 57.2 -73.6 -30.4 -7.1 -20.9 21.0 4 4 A K H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 106.9 47.3 -56.7 -49.7 -10.0 -18.7 19.9 5 5 A E H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.930 112.2 50.6 -64.4 -42.3 -10.8 -17.8 23.5 6 6 A K H <>S+ 0 0 57 -4,-2.3 5,-2.4 2,-0.2 3,-0.3 0.927 109.3 51.1 -54.9 -51.1 -7.2 -17.2 24.1 7 7 A M H ><5S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 121,-0.3 0.958 113.1 45.3 -51.1 -53.4 -7.1 -14.9 21.1 8 8 A L H 3<5S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.666 109.5 55.8 -71.1 -17.0 -10.1 -12.9 22.3 9 9 A A T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.288 115.6-109.4 -97.0 13.4 -8.7 -12.7 25.9 10 10 A E T < 5S+ 0 0 114 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.798 75.8 133.0 62.5 31.9 -5.3 -11.0 24.8 11 11 A K < - 0 0 99 -5,-2.4 117,-0.4 -6,-0.2 -1,-0.2 -0.757 69.4 -88.0-105.1 160.0 -3.4 -14.2 25.6 12 12 A W + 0 0 119 -2,-0.3 2,-0.3 115,-0.1 115,-0.2 -0.423 57.4 175.8 -60.6 132.7 -0.7 -15.9 23.5 13 13 A Y E -A 126 0A 4 113,-2.8 113,-2.5 -2,-0.1 2,-1.3 -0.963 41.5-103.3-138.6 161.4 -2.5 -18.3 21.2 14 14 A D E > +A 125 0A 31 -2,-0.3 4,-0.8 111,-0.2 111,-0.2 -0.664 42.1 169.5 -86.2 88.7 -1.5 -20.6 18.3 15 15 A A T 4 S+ 0 0 1 -2,-1.3 -1,-0.2 109,-1.2 110,-0.2 0.856 72.6 46.2 -66.9 -37.9 -2.7 -18.5 15.3 16 16 A N T 4 S+ 0 0 32 108,-1.3 -1,-0.2 -3,-0.2 108,-0.1 0.822 117.8 32.0 -78.5 -39.2 -1.0 -20.8 12.7 17 17 A F T 4 S+ 0 0 104 106,-0.2 2,-0.6 107,-0.1 -1,-0.2 0.360 84.0 109.5-113.5 7.8 -1.8 -24.4 13.7 18 18 A D X - 0 0 19 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 -0.769 56.0-153.5 -86.5 121.0 -5.3 -24.1 15.3 19 19 A Q H > S+ 0 0 119 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.861 90.5 53.1 -67.1 -40.4 -7.7 -25.7 12.9 20 20 A Y H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 113.8 42.5 -62.5 -46.4 -10.8 -23.8 14.1 21 21 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.2 55.8 -68.3 -34.0 -9.0 -20.4 13.5 22 22 A I H X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.934 110.4 44.4 -60.5 -45.2 -7.5 -21.6 10.3 23 23 A N H X S+ 0 0 105 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.834 110.6 53.8 -71.0 -35.5 -11.0 -22.5 9.0 24 24 A E H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.885 110.2 47.6 -65.7 -41.5 -12.4 -19.2 10.2 25 25 A R H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.872 110.0 53.3 -64.0 -40.6 -9.7 -17.2 8.3 26 26 A A H X S+ 0 0 41 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.895 106.8 52.4 -62.2 -38.5 -10.4 -19.4 5.2 27 27 A R H X S+ 0 0 56 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.967 112.8 43.7 -60.5 -52.9 -14.1 -18.4 5.5 28 28 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 42,-0.4 -1,-0.2 0.892 112.0 53.5 -57.4 -41.4 -13.3 -14.7 5.6 29 29 A K H X S+ 0 0 41 -4,-2.2 4,-2.6 41,-0.3 -1,-0.2 0.871 107.6 49.3 -71.5 -39.0 -10.7 -14.9 2.8 30 30 A D H X S+ 0 0 45 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.856 112.3 49.3 -69.0 -32.5 -13.1 -16.6 0.3 31 31 A I H X S+ 0 0 10 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.933 111.0 49.9 -68.9 -43.3 -15.8 -14.0 1.1 32 32 A C H X S+ 0 0 3 -4,-3.0 4,-3.2 1,-0.2 35,-0.2 0.930 109.3 52.0 -56.4 -47.4 -13.2 -11.2 0.5 33 33 A F H X S+ 0 0 36 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.908 111.2 46.0 -57.1 -48.4 -12.2 -12.9 -2.8 34 34 A E H >< S+ 0 0 87 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.951 115.6 47.2 -56.9 -48.1 -15.9 -13.0 -4.0 35 35 A L H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.921 109.1 53.6 -60.6 -43.3 -16.4 -9.3 -2.9 36 36 A N H 3< S+ 0 0 29 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.691 112.1 46.1 -69.0 -14.5 -13.1 -8.3 -4.5 37 37 A H T << S+ 0 0 59 -3,-0.9 2,-0.5 -4,-0.8 -1,-0.3 0.139 89.4 104.9-114.5 19.5 -14.4 -9.8 -7.8 38 38 A T S < S- 0 0 16 -3,-1.8 27,-0.1 -5,-0.1 4,-0.0 -0.882 82.8-107.6-102.4 125.0 -17.9 -8.3 -7.6 39 39 A R > - 0 0 134 -2,-0.5 3,-2.6 1,-0.1 7,-0.2 -0.215 27.5-124.6 -51.3 128.9 -18.6 -5.4 -10.0 40 40 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 179,-0.1 0.777 109.0 56.1 -53.3 -26.7 -18.7 -2.1 -7.9 41 41 A S T 3 S+ 0 0 49 1,-0.1 2,-1.8 174,-0.1 3,-0.2 0.426 77.4 98.2 -87.5 4.2 -22.1 -1.2 -9.2 42 42 A A <> + 0 0 18 -3,-2.6 4,-2.2 1,-0.2 5,-0.2 -0.573 55.1 173.7 -88.6 77.7 -23.7 -4.5 -8.0 43 43 A T H > + 0 0 111 -2,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.863 66.7 41.4 -58.2 -47.7 -25.0 -2.8 -5.0 44 44 A N H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 112.9 53.3 -73.3 -43.0 -27.0 -5.5 -3.4 45 45 A K H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 111.4 47.3 -57.0 -40.1 -24.6 -8.3 -4.0 46 46 A R H X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 111.2 50.3 -71.7 -41.9 -21.8 -6.3 -2.4 47 47 A K H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 11,-0.2 0.886 111.0 49.8 -61.0 -42.5 -24.0 -5.4 0.6 48 48 A E H X S+ 0 0 90 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 46.8 -65.5 -43.5 -24.9 -9.1 1.1 49 49 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 112.7 49.3 -63.1 -43.7 -21.3 -10.1 0.9 50 50 A I H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.903 112.2 48.1 -60.3 -48.6 -20.2 -7.4 3.4 51 51 A D H X>S+ 0 0 34 -4,-2.6 5,-1.6 1,-0.2 4,-1.0 0.910 113.0 48.2 -62.7 -39.7 -22.9 -8.4 5.8 52 52 A Q H <5S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.904 113.0 49.2 -63.6 -39.1 -21.9 -12.0 5.5 53 53 A L H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.957 120.0 34.8 -67.2 -50.9 -18.2 -11.1 6.0 54 54 A F H <5S- 0 0 6 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.539 102.4-132.1 -83.2 -6.1 -18.8 -9.0 9.0 55 55 A Q T <5S+ 0 0 114 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.911 73.5 93.9 58.7 40.0 -21.6 -11.2 10.3 56 56 A T S S+ 0 0 0 17,-0.3 3,-1.5 1,-0.1 -19,-0.1 -0.355 84.1 72.7 85.3 -54.0 -14.6 -10.4 9.7 73 73 A W T 3 S+ 0 0 32 -2,-1.5 -1,-0.1 1,-0.2 -19,-0.1 0.604 87.3 65.2 -66.2 -11.0 -16.8 -11.1 12.7 74 74 A N T 3 S+ 0 0 5 20,-0.1 21,-2.5 19,-0.1 2,-0.6 0.247 83.0 87.0 -99.5 14.5 -14.2 -9.4 14.9 75 75 A V E < -l 95 0D 2 -3,-1.5 2,-0.6 19,-0.2 21,-0.2 -0.964 64.3-162.6-109.7 119.9 -14.7 -6.0 13.3 76 76 A K E -l 96 0D 78 19,-2.5 21,-3.0 -2,-0.6 2,-0.4 -0.910 13.6-163.5-108.5 122.2 -17.5 -4.2 15.0 77 77 A L E -l 97 0D 34 -2,-0.6 21,-0.2 19,-0.2 22,-0.1 -0.882 15.0-155.3-116.5 134.2 -18.8 -1.3 12.9 78 78 A G - 0 0 18 19,-1.4 -19,-0.4 20,-0.8 2,-0.2 0.096 43.7 -76.8 -74.0-165.8 -20.9 1.7 13.4 79 79 A K S S+ 0 0 94 1,-0.2 21,-2.2 -21,-0.1 -19,-0.2 -0.672 105.2 30.8 -99.5 159.0 -23.0 3.5 10.7 80 80 A N S S+ 0 0 36 -21,-1.6 21,-1.8 -2,-0.2 2,-0.5 0.967 73.1 159.3 58.9 63.4 -21.6 5.7 8.0 81 81 A V E -bc 61 101B 0 -21,-1.5 -19,-2.4 19,-0.2 2,-0.6 -0.988 21.9-164.7-120.1 118.6 -18.2 4.1 7.6 82 82 A Y E -bc 62 102B 38 19,-2.8 21,-3.7 -2,-0.5 2,-0.5 -0.956 5.7-175.1-112.4 115.1 -16.4 4.8 4.3 83 83 A V E -bc 63 103B 2 -21,-2.8 -19,-2.3 -2,-0.6 21,-0.2 -0.956 11.9-151.9-116.6 117.2 -13.4 2.6 3.5 84 84 A N - 0 0 32 19,-2.7 3,-0.5 -2,-0.5 -20,-0.2 -0.081 40.8 -49.8 -83.9-178.7 -11.4 3.4 0.4 85 85 A T S S+ 0 0 8 1,-0.2 21,-3.0 20,-0.1 22,-0.2 -0.166 111.0 13.2 -60.0 141.2 -9.4 1.0 -1.7 86 86 A N S S+ 0 0 17 -20,-2.0 2,-0.2 -22,-0.3 -1,-0.2 0.863 78.4 153.1 73.1 38.7 -6.9 -1.6 -0.5 87 87 A C E -h 67 0C 3 -21,-0.8 -19,-1.5 -3,-0.5 2,-0.4 -0.667 28.6-156.0 -98.5 157.9 -7.5 -1.6 3.3 88 88 A Y E -hi 68 108C 3 19,-1.7 21,-2.9 -2,-0.2 2,-0.9 -0.980 6.5-166.0-138.9 114.5 -6.8 -4.5 5.6 89 89 A F E -hi 69 109C 0 -21,-2.3 2,-1.2 -2,-0.4 -19,-1.2 -0.876 9.1-167.4-102.2 92.2 -8.6 -5.0 8.9 90 90 A M E + i 0 110C 16 19,-2.6 21,-1.4 -2,-0.9 3,-0.4 -0.745 14.9 175.5 -90.5 95.4 -6.5 -7.6 10.6 91 91 A D + 0 0 0 -2,-1.2 4,-0.2 1,-0.2 -1,-0.1 -0.048 37.2 121.1-109.9 30.2 -8.9 -8.4 13.3 92 92 A G S S+ 0 0 4 2,-0.1 2,-0.4 35,-0.1 -1,-0.2 0.939 89.9 47.2 -53.4 -43.6 -7.6 -11.3 15.5 93 93 A G S S- 0 0 3 -3,-0.4 38,-0.2 36,-0.2 36,-0.1 -0.835 121.4 -90.1 -89.9 143.3 -7.9 -8.7 18.1 94 94 A Q - 0 0 74 -2,-0.4 37,-2.1 36,-0.1 2,-0.6 -0.152 35.0-153.1 -56.7 138.4 -11.2 -6.9 17.9 95 95 A I E -lm 75 131D 0 -21,-2.5 -19,-2.5 35,-0.2 2,-0.5 -0.974 10.8-165.2-115.9 112.6 -11.3 -3.8 15.7 96 96 A T E -lm 76 132D 42 35,-2.9 37,-4.0 -2,-0.6 2,-0.4 -0.884 5.7-174.1-103.2 122.5 -14.0 -1.4 16.9 97 97 A I E -lm 77 133D 3 -21,-3.0 -19,-1.4 -2,-0.5 37,-0.2 -0.985 11.1-146.8-119.5 128.0 -15.0 1.3 14.5 98 98 A G - 0 0 13 35,-2.0 -20,-0.8 -2,-0.4 2,-0.3 0.197 33.7 -68.9 -77.2-166.2 -17.4 4.1 15.4 99 99 A D S S+ 0 0 53 1,-0.2 37,-2.7 -21,-0.2 -19,-0.2 -0.686 108.9 21.3 -88.1 149.5 -20.0 6.0 13.4 100 100 A N S S+ 0 0 34 -21,-2.2 37,-0.7 -2,-0.3 2,-0.5 0.988 80.0 163.6 63.9 59.9 -19.1 8.5 10.7 101 101 A V E -cd 81 137B 0 -21,-1.8 -19,-2.8 -3,-0.3 2,-0.6 -0.981 26.3-160.7-116.6 123.4 -15.6 7.2 10.0 102 102 A F E -cd 82 138B 10 35,-2.4 37,-2.5 -2,-0.5 2,-0.6 -0.947 11.2-169.8-103.0 110.8 -13.7 8.1 6.8 103 103 A I E -cd 83 139B 6 -21,-3.7 -19,-2.7 -2,-0.6 37,-0.1 -0.901 14.0-139.2-105.8 120.5 -10.9 5.6 6.1 104 104 A G > - 0 0 10 35,-1.5 3,-0.6 -2,-0.6 -20,-0.2 0.058 33.8 -74.3 -66.8 170.3 -8.4 6.5 3.3 105 105 A P T 3 S+ 0 0 4 0, 0.0 37,-2.6 0, 0.0 38,-0.3 -0.389 109.2 16.5 -70.9 152.0 -7.0 4.1 0.8 106 106 A N T 3 S+ 0 0 6 -21,-3.0 2,-0.4 1,-0.2 -19,-0.2 0.877 83.7 154.5 59.3 37.4 -4.2 1.6 1.6 107 107 A C < - 0 0 1 -3,-0.6 -19,-1.7 35,-0.2 2,-0.4 -0.847 27.6-159.4 -92.7 139.2 -4.8 1.7 5.3 108 108 A G E -ij 88 144C 0 35,-2.6 37,-2.7 -2,-0.4 2,-0.6 -0.973 8.3-163.9-119.6 131.3 -3.9 -1.2 7.5 109 109 A F E -ij 89 145C 0 -21,-2.9 -19,-2.6 -2,-0.4 2,-0.6 -0.951 19.6-167.0-114.1 104.6 -5.3 -1.8 11.0 110 110 A Y E +i 90 0C 11 35,-3.1 -19,-0.1 -2,-0.6 -21,-0.1 -0.872 27.6 162.3-109.3 108.2 -3.0 -4.4 12.5 111 111 A T + 0 0 1 -21,-1.4 18,-2.9 -2,-0.6 2,-0.4 0.554 49.2 101.0 -95.2 -9.4 -3.9 -6.2 15.7 112 112 A A E +P 128 0E 17 16,-0.2 2,-0.4 -22,-0.1 16,-0.2 -0.615 42.9 179.8 -87.5 123.5 -1.4 -9.1 15.4 113 113 A T E -P 127 0E 53 14,-1.9 14,-1.9 -2,-0.4 3,-0.0 -0.952 10.0-158.9-110.5 148.0 1.8 -9.3 17.3 114 114 A H - 0 0 21 -2,-0.4 12,-0.2 12,-0.2 7,-0.1 -0.806 35.4 -89.8-108.5 157.3 4.3 -12.1 16.9 115 115 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.402 25.6-139.4 -58.3 145.8 6.9 -13.0 19.5 116 116 A L S S+ 0 0 53 5,-0.0 2,-0.4 4,-0.0 446,-0.1 0.837 87.5 85.0 -72.1 -33.9 10.2 -11.2 18.9 117 117 A N S > S- 0 0 25 1,-0.2 4,-2.4 2,-0.0 3,-0.2 -0.558 77.5-147.4 -70.1 122.3 12.0 -14.5 19.8 118 118 A F H > S+ 0 0 29 -2,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.820 93.1 61.7 -70.7 -28.6 12.0 -16.5 16.6 119 119 A H H > S+ 0 0 72 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.930 111.2 38.5 -58.3 -47.3 11.8 -19.8 18.4 120 120 A H H >4>S+ 0 0 103 -3,-0.2 5,-1.2 1,-0.2 3,-0.6 0.896 116.9 52.2 -68.9 -40.8 8.3 -18.8 19.8 121 121 A R H ><5S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.932 104.6 53.8 -61.9 -47.2 7.3 -17.1 16.6 122 122 A N H 3<5S+ 0 0 35 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.707 98.6 65.9 -60.7 -21.9 8.1 -20.1 14.4 123 123 A E T <<5S- 0 0 101 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.402 120.6-106.9 -78.6 -6.5 5.8 -22.2 16.7 124 124 A G T < 5 + 0 0 1 -3,-2.0 -108,-1.3 1,-0.3 -109,-1.2 0.438 64.9 152.7 104.4 5.1 2.9 -20.1 15.4 125 125 A F E < +A 14 0A 64 -5,-1.2 2,-0.3 -111,-0.2 -1,-0.3 -0.453 12.6 167.9 -77.5 141.3 2.1 -18.0 18.4 126 126 A E E -A 13 0A 24 -113,-2.5 -113,-2.8 -12,-0.2 2,-0.4 -0.899 23.6-148.6-137.0 163.3 0.5 -14.5 18.2 127 127 A K E -P 113 0E 82 -14,-1.9 -14,-1.9 -2,-0.3 2,-0.4 -0.991 20.1-139.5-132.6 132.2 -1.0 -12.1 20.7 128 128 A A E -P 112 0E 1 -117,-0.4 -16,-0.2 -2,-0.4 -34,-0.1 -0.781 10.7-164.4-101.2 131.0 -3.9 -9.9 19.5 129 129 A G - 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