==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-APR-12 4EHX . COMPND 2 MOLECULE: TETRAACYLDISACCHARIDE 4'-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR R.P.EMPTAGE,K.D.DAUGHTRY,C.W.PEMBLE IV,C.R.H.RAETZ . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 0 0 0 0 1 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 3 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 . 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.5 5.1 -27.0 -13.6 2 2 A L > + 0 0 124 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.232 360.0 54.8-152.9 -51.5 2.1 -24.7 -13.5 3 3 A R G > S+ 0 0 164 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.823 107.6 55.6 -62.6 -30.5 3.0 -21.0 -13.9 4 4 A S G > S+ 0 0 67 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.750 93.6 69.0 -71.5 -23.0 4.8 -21.9 -17.1 5 5 A S G < S+ 0 0 71 -3,-0.9 -1,-0.2 1,-0.2 4,-0.2 0.639 96.1 57.2 -69.3 -9.2 1.5 -23.5 -18.3 6 6 A L G X> S+ 0 0 54 -3,-1.1 4,-1.5 -4,-0.3 3,-0.9 0.610 79.6 88.2 -93.0 -15.8 0.3 -19.9 -18.4 7 7 A L H <> S+ 0 0 43 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 0.809 79.7 61.0 -56.8 -35.9 2.9 -18.5 -20.8 8 8 A P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.895 105.8 48.6 -58.7 -38.1 0.9 -19.4 -24.0 9 9 A F H <> S+ 0 0 121 -3,-0.9 4,-3.0 -4,-0.2 -2,-0.2 0.877 108.8 54.5 -67.7 -37.4 -1.8 -17.1 -22.8 10 10 A S H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.900 107.9 47.8 -61.5 -45.1 0.8 -14.4 -22.1 11 11 A Y H X S+ 0 0 131 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.910 114.9 46.5 -64.2 -40.9 2.2 -14.5 -25.7 12 12 A L H X S+ 0 0 97 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.963 111.9 50.6 -63.4 -50.7 -1.4 -14.4 -27.1 13 13 A Y H X S+ 0 0 68 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.846 105.5 57.5 -54.8 -37.9 -2.3 -11.5 -24.7 14 14 A E H X S+ 0 0 68 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.924 104.1 51.6 -63.5 -41.5 0.8 -9.6 -25.8 15 15 A K H X S+ 0 0 137 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.919 112.0 46.9 -57.7 -46.0 -0.3 -9.7 -29.4 16 16 A I H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 115.4 44.1 -62.7 -49.0 -3.7 -8.3 -28.5 17 17 A I H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.919 114.0 50.1 -62.8 -46.8 -2.3 -5.5 -26.3 18 18 A N H X S+ 0 0 35 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.865 109.7 51.7 -60.5 -39.1 0.4 -4.6 -28.8 19 19 A F H X S+ 0 0 135 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.945 111.3 46.3 -64.7 -45.8 -2.2 -4.4 -31.6 20 20 A R H X S+ 0 0 83 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 113.6 48.9 -62.5 -43.3 -4.5 -2.1 -29.6 21 21 A N H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.877 107.0 55.5 -68.3 -33.6 -1.6 0.1 -28.6 22 22 A T H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 6,-0.3 0.912 104.9 54.5 -60.9 -41.1 -0.3 0.3 -32.2 23 23 A L H <>S+ 0 0 41 -4,-2.0 5,-2.7 1,-0.2 6,-0.8 0.934 113.4 40.3 -60.1 -45.6 -3.7 1.6 -33.3 24 24 A Y H ><5S+ 0 0 23 -4,-1.8 3,-1.3 4,-0.2 -2,-0.2 0.920 112.5 56.4 -67.2 -43.4 -3.6 4.4 -30.7 25 25 A D H 3<5S+ 0 0 67 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 113.6 40.2 -52.3 -41.3 0.1 5.1 -31.4 26 26 A K T 3<5S- 0 0 152 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.262 116.6-105.6-102.1 8.8 -0.6 5.7 -35.1 27 27 A G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.688 80.2 127.3 82.0 19.9 -3.8 7.6 -34.9 28 28 A F < + 0 0 146 -5,-2.7 2,-0.4 -6,-0.3 -4,-0.2 0.646 68.7 50.7 -84.3 -15.3 -6.2 4.8 -36.0 29 29 A L S S- 0 0 71 -6,-0.8 2,-0.1 -5,-0.1 -2,-0.1 -0.959 94.4-103.7-124.8 145.4 -8.4 5.2 -32.9 30 30 A K - 0 0 151 -2,-0.4 2,-0.6 1,-0.0 -2,-0.1 -0.407 22.2-158.1 -73.6 133.3 -10.0 8.4 -31.6 31 31 A I - 0 0 79 -2,-0.1 115,-0.2 -4,-0.1 2,-0.2 -0.972 19.4-145.7-107.1 115.0 -8.5 10.2 -28.6 32 32 A K B -a 146 0A 44 113,-3.5 115,-3.3 -2,-0.6 2,-0.5 -0.501 6.0-144.4 -85.2 153.1 -11.2 12.4 -27.0 33 33 A K - 0 0 113 113,-0.2 115,-0.1 -2,-0.2 113,-0.1 -0.945 1.3-151.2-127.3 114.8 -10.4 15.7 -25.4 34 34 A L - 0 0 1 -2,-0.5 4,-0.1 113,-0.3 86,-0.0 -0.516 26.6-121.7 -74.8 151.1 -12.1 17.2 -22.3 35 35 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.321 92.8 56.4 -82.1 7.0 -12.1 21.1 -22.2 36 36 A V S S- 0 0 28 1,-0.0 -2,-0.1 0, 0.0 98,-0.1 -0.897 103.7 -74.7-126.1 166.3 -10.3 21.2 -18.8 37 37 A P - 0 0 19 0, 0.0 98,-2.5 0, 0.0 2,-0.4 -0.228 42.5-159.5 -60.9 142.7 -6.9 19.7 -17.7 38 38 A V E -b 135 0B 0 96,-0.2 111,-2.3 -4,-0.1 112,-1.4 -0.995 7.0-171.0-127.5 123.1 -6.7 15.9 -17.2 39 39 A I E -bc 136 150B 0 96,-2.8 98,-2.8 -2,-0.4 2,-0.4 -0.965 13.1-152.1-111.3 129.5 -4.0 14.3 -15.1 40 40 A S E -bc 137 151B 0 110,-2.7 112,-2.5 -2,-0.5 2,-0.5 -0.863 7.9-165.9-104.0 137.5 -3.9 10.5 -15.3 41 41 A V E +bc 138 152B 0 96,-2.6 99,-2.3 -2,-0.4 98,-1.1 -0.983 32.3 133.9-113.8 129.6 -2.5 8.3 -12.5 42 42 A G E - c 0 153B 0 110,-1.6 112,-3.2 -2,-0.5 2,-0.3 -0.944 34.4-147.9-158.7 179.4 -1.8 4.7 -13.4 43 43 A N E - c 0 154B 7 -2,-0.3 99,-0.1 110,-0.2 112,-0.1 -0.916 24.9-121.0-151.0 179.8 0.4 1.7 -13.4 44 44 A L S S+ 0 0 0 110,-0.6 127,-4.2 -2,-0.3 128,-0.8 0.629 82.9 56.0-100.0 -17.1 1.4 -1.3 -15.5 45 45 A S B S-J 170 0C 2 125,-0.3 125,-0.2 126,-0.2 2,-0.2 -0.797 71.8-119.7-124.1 156.9 0.6 -4.1 -13.1 46 46 A V S S+ 0 0 60 123,-2.4 2,-0.1 -2,-0.3 -2,-0.1 -0.579 77.6 54.9 -77.9 156.1 -2.1 -5.7 -11.1 47 47 A G S S- 0 0 56 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.428 102.9 -10.4 107.8 175.3 -1.4 -5.9 -7.3 48 48 A G + 0 0 44 1,-0.1 -3,-0.0 -2,-0.1 -2,-0.0 -0.202 63.8 164.5 -50.8 131.4 -0.4 -3.3 -4.7 49 49 A S - 0 0 19 -6,-0.0 -1,-0.1 106,-0.0 137,-0.1 0.656 44.8-128.7-126.7 -30.9 0.4 -0.1 -6.5 50 50 A G S > S+ 0 0 5 136,-0.1 4,-2.5 137,-0.0 5,-0.2 0.468 73.6 125.1 78.9 2.5 0.5 2.9 -4.2 51 51 A K H > + 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 67.8 50.5 -61.6 -42.9 -1.9 4.4 -6.8 52 52 A T H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 112.1 47.0 -60.9 -50.1 -4.5 5.2 -4.1 53 53 A S H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 245,-0.2 0.893 112.3 50.7 -56.9 -41.5 -2.0 7.0 -1.9 54 54 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.895 106.4 53.8 -68.0 -38.6 -0.6 8.9 -4.8 55 55 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.940 110.5 47.4 -58.5 -45.3 -4.1 10.1 -5.9 56 56 A M H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 113.5 48.7 -59.4 -45.3 -4.7 11.4 -2.4 57 57 A Y H X S+ 0 0 23 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.923 113.0 46.7 -60.3 -47.0 -1.3 13.1 -2.5 58 58 A L H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.904 108.7 54.1 -64.2 -42.7 -1.9 14.6 -5.9 59 59 A A H < S+ 0 0 5 -4,-2.9 6,-0.2 1,-0.2 -1,-0.2 0.898 107.2 53.2 -61.6 -36.1 -5.4 15.9 -5.0 60 60 A D H >< S+ 0 0 101 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.856 102.6 56.1 -65.6 -35.6 -3.8 17.6 -2.0 61 61 A L H 3< S+ 0 0 36 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.849 110.9 47.1 -62.7 -30.7 -1.3 19.4 -4.3 62 62 A L T >< S+ 0 0 9 -4,-1.5 3,-2.4 -3,-0.2 -1,-0.3 -0.021 72.0 127.2 -98.7 28.1 -4.4 20.7 -6.2 63 63 A K T < + 0 0 156 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.696 69.0 60.3 -62.5 -17.8 -6.2 21.8 -3.0 64 64 A D T 3 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.3 0.465 100.7 68.9 -86.8 -2.2 -6.7 25.3 -4.5 65 65 A K S < S- 0 0 82 -3,-2.4 2,-0.9 -6,-0.2 -3,-0.0 -0.800 91.7-106.3-115.3 157.8 -8.6 23.8 -7.5 66 66 A R - 0 0 109 -2,-0.3 67,-3.1 65,-0.1 68,-1.6 -0.755 50.2-164.8 -80.5 108.1 -12.0 22.2 -7.9 67 67 A V E -d 134 0B 2 -2,-0.9 45,-2.5 43,-0.4 2,-0.4 -0.772 17.5-173.8-105.6 140.0 -11.0 18.6 -8.4 68 68 A C E -de 135 112B 0 66,-2.0 68,-2.1 -2,-0.4 2,-0.4 -0.992 15.5-144.7-130.4 129.3 -12.9 15.6 -9.7 69 69 A I E -de 136 113B 0 43,-3.3 45,-2.7 -2,-0.4 2,-0.7 -0.747 7.3-152.3 -86.2 133.7 -11.7 12.0 -9.8 70 70 A L E -de 137 114B 2 66,-2.8 68,-1.5 -2,-0.4 2,-0.3 -0.935 23.7-179.2-106.8 108.4 -12.8 9.9 -12.8 71 71 A S E - e 0 115B 5 43,-3.2 45,-2.7 -2,-0.7 68,-0.1 -0.770 31.9-133.4-108.7 152.8 -12.9 6.3 -11.6 72 72 A R - 0 0 87 66,-0.4 -1,-0.1 -2,-0.3 46,-0.1 0.918 20.5-158.5 -68.1 -47.2 -13.8 3.2 -13.5 73 73 A G - 0 0 2 42,-0.1 3,-0.2 43,-0.1 44,-0.2 0.979 12.7-173.1 58.5 58.9 -16.1 1.6 -11.0 74 74 A Y + 0 0 170 1,-0.2 2,-0.7 42,-0.1 43,-0.1 0.923 69.6 31.8 -49.8 -60.1 -15.5 -1.9 -12.5 75 75 A K S S+ 0 0 120 4,-0.0 24,-0.3 22,-0.0 2,-0.3 -0.879 81.9 151.8-108.5 106.4 -18.1 -3.8 -10.4 76 76 A R - 0 0 46 -2,-0.7 20,-0.2 -3,-0.2 21,-0.1 -0.846 54.5-128.8-129.5 164.2 -21.1 -1.7 -9.4 77 77 A K S S+ 0 0 151 18,-0.7 2,-0.3 -2,-0.3 19,-0.2 0.422 102.7 43.4 -87.3 -2.7 -24.8 -2.1 -8.5 78 78 A S S S- 0 0 31 18,-0.6 2,-0.2 17,-0.1 4,-0.1 -0.986 74.9-155.4-141.2 150.9 -25.4 0.7 -11.1 79 79 A K + 0 0 194 -2,-0.3 2,-0.4 2,-0.1 36,-0.0 -0.675 53.3 42.7-123.7 175.5 -24.0 1.3 -14.6 80 80 A G S S- 0 0 34 -2,-0.2 37,-0.6 2,-0.1 2,-0.4 -0.771 110.5 -22.2 90.1-136.0 -23.5 4.2 -16.9 81 81 A T E -F 116 0B 50 -2,-0.4 2,-0.4 35,-0.2 35,-0.2 -0.939 67.0-176.6-114.6 136.4 -22.1 7.3 -15.3 82 82 A L E -F 115 0B 24 33,-2.4 33,-2.9 -2,-0.4 2,-0.8 -0.989 26.4-138.0-138.8 124.2 -22.6 7.9 -11.6 83 83 A I E +F 114 0B 38 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.753 25.7 176.8 -78.7 113.9 -21.7 10.8 -9.4 84 84 A V E + 0 0 0 29,-2.4 7,-3.1 -2,-0.8 8,-0.8 0.852 64.8 9.3 -86.5 -40.3 -20.4 9.1 -6.3 85 85 A S E -FG 113 90B 0 28,-2.0 28,-1.9 5,-0.3 2,-0.7 -0.999 57.5-147.6-145.3 141.6 -19.4 12.2 -4.3 86 86 A E E > S- G 0 89B 81 3,-2.4 3,-1.9 -2,-0.4 26,-0.2 -0.894 84.2 -39.8-109.9 101.2 -19.9 15.9 -4.7 87 87 A Y T 3 S- 0 0 47 -2,-0.7 25,-0.3 1,-0.3 -1,-0.1 0.887 128.9 -32.7 45.9 50.8 -16.8 17.6 -3.2 88 88 A G T 3 S+ 0 0 14 23,-1.5 2,-0.8 1,-0.2 -1,-0.3 0.053 113.3 114.1 103.4 -24.3 -16.5 15.2 -0.3 89 89 A N E < -G 86 0B 102 -3,-1.9 -3,-2.4 21,-0.0 -1,-0.2 -0.722 63.5-135.7 -89.0 108.5 -20.2 14.5 0.1 90 90 A L E -G 85 0B 44 -2,-0.8 -5,-0.3 -5,-0.2 -6,-0.1 -0.340 21.5-177.6 -60.6 135.9 -21.1 10.9 -0.6 91 91 A K + 0 0 118 -7,-3.1 2,-0.3 1,-0.1 -6,-0.2 0.439 64.9 31.3-114.3 -6.3 -24.2 10.6 -2.7 92 92 A V S S- 0 0 26 -8,-0.8 2,-0.1 -10,-0.1 -1,-0.1 -0.943 82.8-100.5-145.4 165.7 -24.5 6.8 -2.9 93 93 A S > - 0 0 47 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.398 36.2-111.1 -81.4 165.8 -23.6 3.7 -0.9 94 94 A W H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 -17,-0.2 0.879 119.0 64.2 -63.9 -35.2 -20.5 1.6 -1.6 95 95 A E H 4 S+ 0 0 84 1,-0.2 -18,-0.7 2,-0.2 -1,-0.2 0.903 112.6 33.1 -50.8 -44.4 -22.9 -1.1 -2.8 96 96 A E H 4 S+ 0 0 74 -3,-0.3 -18,-0.6 -20,-0.2 -19,-0.2 0.799 124.0 43.7 -85.4 -30.9 -24.0 1.2 -5.6 97 97 A A H < S- 0 0 0 -4,-2.4 -2,-0.2 -21,-0.1 -3,-0.2 0.773 110.9-115.7 -81.7 -26.2 -20.7 3.0 -6.2 98 98 A G X - 0 0 4 -4,-3.0 4,-1.8 -5,-0.2 5,-0.2 0.034 31.7 -87.1 89.4 147.5 -18.5 -0.1 -6.1 99 99 A D H > S+ 0 0 23 -24,-0.3 4,-2.3 1,-0.2 5,-0.2 0.832 121.9 54.5 -58.3 -35.5 -15.9 -0.5 -3.3 100 100 A E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 111.0 38.0 -71.6 -54.6 -13.2 1.4 -5.2 101 101 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.886 117.7 53.8 -64.1 -35.1 -14.8 4.7 -6.1 102 102 A Y H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.947 109.9 45.8 -64.1 -48.1 -16.5 4.7 -2.7 103 103 A L H X S+ 0 0 28 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.936 111.9 52.1 -58.4 -47.4 -13.3 4.2 -0.8 104 104 A M H X S+ 0 0 3 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.926 109.7 50.2 -53.9 -46.1 -11.6 6.9 -3.0 105 105 A A H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.892 109.5 49.7 -61.8 -39.4 -14.4 9.3 -2.1 106 106 A K H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 110.3 51.9 -69.0 -31.5 -14.1 8.6 1.6 107 107 A L H 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.598 108.7 53.8 -78.9 -9.6 -10.4 9.2 1.4 108 108 A L X< + 0 0 10 -4,-0.7 3,-1.8 -3,-0.7 -1,-0.2 -0.645 61.7 176.6-127.5 78.1 -10.9 12.6 -0.4 109 109 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.518 81.8 38.9 -62.2 -10.2 -13.2 14.9 1.7 110 110 A H T 3 S+ 0 0 159 -22,-0.1 -43,-0.4 2,-0.1 2,-0.4 0.234 102.8 85.4-119.5 13.0 -13.0 18.0 -0.6 111 111 A V S < S- 0 0 11 -3,-1.8 -23,-1.5 -6,-0.2 -43,-0.2 -0.879 70.6-125.5-121.7 144.4 -13.0 16.3 -4.0 112 112 A S E -e 68 0B 0 -45,-2.5 -43,-3.3 -2,-0.4 2,-0.4 -0.551 21.5-158.1 -82.1 152.9 -15.7 15.0 -6.3 113 113 A V E -eF 69 85B 0 -28,-1.9 -29,-2.4 -45,-0.2 -28,-2.0 -0.997 8.7-175.6-134.5 129.0 -15.7 11.4 -7.6 114 114 A V E -eF 70 83B 1 -45,-2.7 -43,-3.2 -2,-0.4 2,-0.5 -0.987 12.6-151.1-125.2 133.0 -17.5 10.1 -10.7 115 115 A A E +eF 71 82B 0 -33,-2.9 -33,-2.4 -2,-0.4 2,-0.3 -0.918 33.8 140.9-105.1 125.7 -17.6 6.4 -11.7 116 116 A S E - 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