==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-FEB-06 2G6W . COMPND 2 MOLECULE: 8-AMINO-7-OXONONANOATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.ALEXEEV . 383 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.9 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 . 0 0.0 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 3 0 0 0 0 2 3 0 1 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 2 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 . 2 3 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 175.3 16.6 18.0 16.0 2 3 A W H > + 0 0 199 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.909 360.0 50.0 -65.0 -43.7 15.1 15.0 17.9 3 4 A Q H > S+ 0 0 112 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.882 108.2 52.2 -65.8 -40.0 18.3 13.0 17.6 4 5 A E H > S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.933 111.0 49.2 -62.3 -39.7 20.3 15.9 18.9 5 6 A K H X S+ 0 0 131 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.895 116.4 40.9 -67.6 -40.3 17.9 16.0 21.8 6 7 A I H X S+ 0 0 80 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.936 115.6 49.6 -67.6 -50.5 18.2 12.3 22.5 7 8 A N H X S+ 0 0 72 -4,-3.7 4,-2.2 1,-0.2 -2,-0.2 0.759 114.9 46.7 -59.7 -25.4 22.0 12.1 21.9 8 9 A A H X S+ 0 0 56 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.754 107.3 52.4 -95.8 -26.5 22.5 15.1 24.3 9 10 A A H < S+ 0 0 66 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.735 120.8 38.9 -72.3 -26.2 20.2 13.8 27.1 10 11 A L H < S+ 0 0 98 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.927 114.8 48.2 -83.3 -74.8 22.3 10.7 26.8 11 12 A D H < S+ 0 0 145 -4,-2.2 2,-1.6 1,-0.3 -3,-0.2 0.769 105.2 65.1 -34.3 -43.4 25.8 12.1 26.2 12 13 A A S < S+ 0 0 84 -4,-1.6 2,-0.4 -5,-0.1 -1,-0.3 -0.474 77.2 114.0 -87.1 63.8 25.2 14.5 29.1 13 14 A R - 0 0 122 -2,-1.6 2,-0.2 4,-0.0 6,-0.1 -0.987 63.2-130.5-120.8 140.5 25.0 11.7 31.7 14 15 A R > - 0 0 189 -2,-0.4 4,-0.5 1,-0.1 3,-0.3 -0.581 17.7-128.2 -83.7 155.2 27.6 11.5 34.5 15 16 A A H > S+ 0 0 89 1,-0.2 4,-0.9 -2,-0.2 -1,-0.1 0.983 107.2 27.8 -65.7 -88.5 29.2 8.0 35.1 16 17 A A H 4 S+ 0 0 69 2,-0.1 -1,-0.2 334,-0.0 -2,-0.1 0.189 118.2 82.7 -58.2 20.0 28.8 7.3 38.8 17 18 A D H 4 S- 0 0 49 -3,-0.3 334,-0.2 333,-0.1 -2,-0.2 0.494 113.3 -44.2 -89.5-112.2 25.9 9.5 38.1 18 19 A A H < S+ 0 0 9 -4,-0.5 2,-0.4 332,-0.1 -2,-0.1 -0.425 79.1 135.2-127.7 58.3 22.8 7.9 36.7 19 20 A L < - 0 0 89 -4,-0.9 2,-0.4 -2,-0.1 -9,-0.0 -0.878 33.6-166.1-100.1 141.1 23.7 5.4 33.9 20 21 A R - 0 0 181 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.957 13.4-171.8-137.6 120.1 21.8 2.0 34.1 21 22 A R - 0 0 201 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.822 20.5-131.5-110.5 152.6 22.2 -1.4 32.5 22 23 A R - 0 0 239 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.831 14.2-155.2-101.8 132.1 19.9 -4.5 32.7 23 24 A Y - 0 0 103 -2,-0.5 2,-0.3 12,-0.0 -2,-0.0 -0.899 18.1-129.3-107.7 125.6 21.3 -7.9 33.4 24 25 A P - 0 0 104 0, 0.0 12,-0.5 0, 0.0 2,-0.4 -0.555 26.1-165.1 -75.7 138.6 19.3 -11.0 32.2 25 26 A V E -A 35 0A 59 -2,-0.3 10,-0.2 10,-0.1 3,-0.2 -0.909 29.2-149.9-122.7 151.1 18.6 -13.7 34.6 26 27 A A E S+ 0 0 70 8,-2.1 2,-0.3 -2,-0.4 9,-0.2 0.755 98.9 13.9 -78.7 -28.5 17.4 -17.3 34.4 27 28 A Q E +A 34 0A 89 7,-1.3 7,-1.8 1,-0.1 -1,-0.3 -0.960 63.4 161.6-146.0 128.7 15.7 -16.9 37.8 28 29 A G + 0 0 34 -2,-0.3 2,-0.4 5,-0.2 16,-0.1 0.482 50.8 81.0-122.9 -7.2 15.2 -13.6 39.6 29 30 A A S S- 0 0 29 16,-0.1 3,-0.4 17,-0.1 2,-0.3 -0.880 84.6 -9.4-114.7 130.3 12.5 -14.2 42.3 30 31 A G S S- 0 0 2 -2,-0.4 15,-0.3 1,-0.2 14,-0.2 -0.676 111.7 -12.2 94.8-147.1 12.9 -15.7 45.8 31 32 A R S S+ 0 0 63 -2,-0.3 11,-3.1 10,-0.1 2,-0.2 0.871 120.7 44.9 -68.9 -42.6 15.8 -17.4 47.5 32 33 A W E - B 0 41A 98 -3,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.635 58.0-160.8-106.6 158.7 18.0 -18.0 44.5 33 34 A L E - B 0 40A 3 7,-2.0 7,-2.5 -2,-0.2 2,-0.5 -0.978 7.9-161.3-137.2 127.1 19.2 -15.9 41.5 34 35 A V E +AB 27 39A 18 -7,-1.8 -8,-2.1 -2,-0.4 -7,-1.3 -0.969 19.4 165.3-112.5 120.2 20.6 -17.7 38.4 35 36 A A E > S-AB 25 38A 7 3,-2.0 3,-2.6 -2,-0.5 -10,-0.1 -0.988 70.4 -10.1-143.4 132.7 22.7 -15.4 36.1 36 37 A D T 3 S- 0 0 149 -12,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.880 129.7 -57.6 36.7 48.6 25.0 -16.5 33.3 37 38 A D T 3 S+ 0 0 150 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.489 112.2 120.1 66.3 5.6 24.5 -20.1 34.7 38 39 A R E < -B 35 0A 155 -3,-2.6 -3,-2.0 2,-0.0 2,-0.3 -0.874 57.0-137.9 -99.5 134.4 25.8 -19.2 38.2 39 40 A Q E +B 34 0A 100 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.693 26.2 176.9 -83.9 140.6 23.5 -19.6 41.3 40 41 A Y E -B 33 0A 45 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.3 -0.978 40.7-103.2-139.2 148.7 23.6 -16.9 43.9 41 42 A L E -Bc 32 342A 11 300,-2.9 302,-3.4 -2,-0.3 2,-0.7 -0.612 47.2-133.3 -64.8 125.5 21.7 -16.3 47.2 42 43 A N E + c 0 343A 1 -11,-3.1 3,-0.2 -2,-0.3 302,-0.1 -0.793 41.1 160.9 -93.3 114.2 19.3 -13.6 46.0 43 44 A F + 0 0 0 300,-2.4 319,-1.5 -2,-0.7 302,-0.4 -0.155 67.3 66.3-116.9 37.8 19.0 -10.6 48.3 44 45 A S S S+ 0 0 24 -14,-0.2 2,-0.2 317,-0.2 -1,-0.1 0.422 72.1 99.4-138.6 1.6 17.5 -8.3 45.7 45 46 A S - 0 0 12 -15,-0.3 -16,-0.1 317,-0.2 190,-0.1 -0.488 63.0-137.2 -91.3 166.8 14.1 -9.6 44.8 46 47 A N + 0 0 40 188,-0.2 2,-2.5 -2,-0.2 3,-0.2 0.301 69.6 115.2-104.1 10.9 10.7 -8.3 46.0 47 48 A D > + 0 0 6 1,-0.2 3,-2.7 -17,-0.1 319,-0.3 -0.264 39.4 169.7 -74.3 57.2 9.2 -11.8 46.5 48 49 A Y T 3 S+ 0 0 2 -2,-2.5 317,-1.9 1,-0.3 -1,-0.2 0.725 73.5 37.3 -49.1 -30.1 9.0 -11.2 50.3 49 50 A L T 3 S- 0 0 2 315,-0.2 -1,-0.3 187,-0.2 315,-0.1 0.375 107.6-118.2-104.7 9.3 6.9 -14.4 51.1 50 51 A G S X S+ 0 0 9 -3,-2.7 3,-0.8 1,-0.1 -2,-0.1 0.710 72.1 136.8 59.5 24.8 8.7 -16.6 48.5 51 52 A L G > + 0 0 0 185,-0.3 3,-2.2 1,-0.2 6,-0.2 0.729 42.1 84.8 -80.1 -16.1 5.3 -17.0 46.8 52 53 A S G 3 S+ 0 0 41 1,-0.3 -1,-0.2 183,-0.1 -22,-0.0 0.856 102.8 34.0 -54.5 -32.8 6.5 -16.6 43.2 53 54 A H G < S+ 0 0 91 -3,-0.8 -1,-0.3 4,-0.1 -2,-0.2 0.202 84.0 137.0-105.8 13.9 7.3 -20.4 43.1 54 55 A H <> - 0 0 9 -3,-2.2 4,-2.7 1,-0.2 3,-0.3 -0.433 54.3-137.4 -64.1 132.6 4.5 -21.6 45.3 55 56 A P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.782 101.4 52.9 -62.7 -27.9 3.0 -24.8 43.8 56 57 A Q H > S+ 0 0 92 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.852 111.5 45.9 -74.5 -32.9 -0.6 -23.8 44.5 57 58 A I H > S+ 0 0 8 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.945 114.3 48.1 -72.1 -47.6 -0.1 -20.4 42.7 58 59 A I H X S+ 0 0 68 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 111.8 50.7 -53.8 -40.0 1.6 -22.1 39.8 59 60 A R H X S+ 0 0 138 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.869 107.5 51.6 -70.7 -39.2 -1.1 -24.7 39.6 60 61 A A H X S+ 0 0 22 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.884 109.7 51.0 -65.8 -33.5 -3.8 -22.1 39.6 61 62 A W H X S+ 0 0 139 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.891 114.1 45.3 -69.6 -40.9 -2.0 -20.2 36.6 62 63 A Q H X S+ 0 0 116 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.900 115.9 41.9 -71.1 -48.5 -1.8 -23.4 34.7 63 64 A Q H X S+ 0 0 138 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.805 108.6 62.1 -71.5 -29.8 -5.3 -24.7 35.2 64 65 A G H X S+ 0 0 2 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.912 102.5 51.2 -55.1 -42.3 -6.7 -21.1 34.7 65 66 A A H X S+ 0 0 32 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.850 108.9 50.8 -69.2 -33.6 -5.3 -21.3 31.2 66 67 A E H < S+ 0 0 162 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.929 117.2 39.7 -71.8 -39.5 -7.0 -24.6 30.6 67 68 A Q H < S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.874 134.4 14.6 -73.8 -39.2 -10.3 -23.2 31.7 68 69 A F H < S- 0 0 63 -4,-3.0 -3,-0.2 1,-0.4 -2,-0.2 0.353 94.2-127.5-122.3 5.4 -10.4 -19.8 30.2 69 70 A G < - 0 0 35 -4,-1.4 -1,-0.4 -5,-0.3 201,-0.3 -0.434 41.9 -75.7 63.9-155.8 -7.6 -19.7 27.7 70 71 A I S S+ 0 0 109 1,-0.2 200,-0.4 -2,-0.1 201,-0.2 0.758 102.4 51.1-105.7 -85.1 -5.1 -16.8 28.0 71 72 A G - 0 0 58 197,-0.2 -1,-0.2 1,-0.1 196,-0.1 -0.219 68.0-138.0 -60.8 146.2 -6.2 -13.3 26.9 72 73 A S - 0 0 20 194,-0.5 -1,-0.1 2,-0.1 195,-0.1 0.643 37.7-121.2 -71.7 -20.1 -9.5 -11.9 28.2 73 74 A G - 0 0 71 193,-0.2 2,-0.3 7,-0.1 7,-0.1 0.060 66.4 -38.4 100.6 -26.5 -10.4 -10.5 24.8 74 75 A G S S- 0 0 18 5,-0.1 192,-2.6 192,-0.1 -2,-0.1 -0.954 90.6 -5.7 171.6-150.3 -10.8 -6.8 25.8 75 76 A S B > > -D 265 0B 14 -2,-0.3 5,-2.8 190,-0.3 3,-1.4 -0.266 50.3-120.6 -74.7 157.6 -12.0 -4.4 28.4 76 77 A G T 3 5S+ 0 0 28 188,-0.5 5,-0.2 185,-0.5 -1,-0.1 0.732 116.0 58.1 -64.7 -22.5 -13.8 -4.9 31.7 77 78 A H T 3 5S+ 0 0 85 185,-0.5 -1,-0.2 184,-0.3 2,-0.1 0.427 117.8 30.0 -92.7 5.3 -16.5 -2.6 30.2 78 79 A V T < 5S- 0 0 120 -3,-1.4 3,-0.4 184,-0.0 -4,-0.1 0.106 131.7 -42.4-127.0-116.7 -17.0 -4.9 27.3 79 80 A S T 5S+ 0 0 92 1,-0.2 -3,-0.2 -2,-0.1 -5,-0.1 0.255 113.6 85.9-108.4 11.9 -16.4 -8.7 27.3 80 81 A G < + 0 0 2 -5,-2.8 2,-0.9 -7,-0.1 -4,-0.2 0.198 58.0 101.6 -96.5 15.3 -13.2 -8.8 29.3 81 82 A Y - 0 0 95 -3,-0.4 2,-0.1 -6,-0.3 -1,-0.1 -0.783 59.6-167.5 -98.4 96.9 -14.9 -8.8 32.8 82 83 A S >> - 0 0 21 -2,-0.9 4,-2.2 1,-0.1 3,-0.5 -0.412 35.9-116.7 -87.9 154.7 -14.6 -12.5 33.8 83 84 A V H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 119.5 56.6 -48.9 -34.4 -16.3 -14.2 36.7 84 85 A V H 3> S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 103.3 51.5 -67.3 -38.6 -12.7 -14.8 38.0 85 86 A H H <> S+ 0 0 5 -3,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.929 111.8 48.0 -60.9 -44.9 -12.0 -11.0 38.0 86 87 A Q H X S+ 0 0 82 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.880 110.8 49.5 -68.3 -36.9 -15.2 -10.4 39.9 87 88 A A H X S+ 0 0 19 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.910 112.4 48.7 -66.9 -43.8 -14.5 -13.2 42.5 88 89 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 110.8 50.0 -59.4 -51.5 -11.0 -11.8 43.1 89 90 A E H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.968 114.2 45.2 -49.6 -57.3 -12.3 -8.3 43.5 90 91 A E H X S+ 0 0 116 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.892 112.1 51.2 -55.0 -45.0 -14.9 -9.5 46.0 91 92 A E H X S+ 0 0 61 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.853 111.7 48.1 -60.8 -33.8 -12.3 -11.6 47.8 92 93 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.969 110.9 49.0 -71.5 -49.0 -9.9 -8.6 48.1 93 94 A A H X>S+ 0 0 7 -4,-2.5 5,-2.4 1,-0.2 4,-1.0 0.907 113.6 46.8 -56.8 -47.7 -12.6 -6.2 49.4 94 95 A E H <5S+ 0 0 116 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.861 112.0 51.9 -61.1 -42.7 -13.7 -8.7 52.1 95 96 A W H <5S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 118.6 34.2 -56.3 -47.7 -10.1 -9.4 53.1 96 97 A L H <5S- 0 0 9 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.447 112.6-113.2-101.1 -2.4 -9.2 -5.8 53.6 97 98 A G T <5 + 0 0 36 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.2 0.841 69.2 129.7 78.3 34.6 -12.6 -4.7 54.8 98 99 A Y < - 0 0 23 -5,-2.4 -1,-0.2 -6,-0.2 149,-0.1 -0.708 62.6-124.7-111.9 172.5 -13.7 -2.4 52.0 99 100 A S S S+ 0 0 60 147,-0.6 2,-0.3 -2,-0.2 148,-0.2 0.905 87.7 13.3 -82.0 -41.2 -16.9 -2.3 50.1 100 101 A R E -E 246 0C 66 146,-2.5 146,-2.4 -7,-0.1 2,-0.3 -0.928 53.6-164.6-134.3 159.2 -15.4 -2.6 46.6 101 102 A A E -E 245 0C 1 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.988 7.4-160.5-139.5 144.6 -12.2 -3.4 44.8 102 103 A L E -E 244 0C 3 142,-1.9 142,-2.3 -2,-0.3 2,-0.2 -0.985 20.2-129.6-123.7 131.5 -11.3 -2.7 41.1 103 104 A L E -E 243 0C 18 -2,-0.4 2,-0.3 140,-0.2 140,-0.2 -0.589 23.0-173.1 -84.4 146.0 -8.5 -4.7 39.4 104 105 A F E -E 242 0C 10 138,-2.6 138,-2.1 -2,-0.2 3,-0.1 -0.897 34.0-121.4-135.7 159.1 -5.7 -3.1 37.4 105 106 A I S S- 0 0 77 -2,-0.3 2,-0.3 136,-0.2 136,-0.2 0.690 92.7 -7.9 -75.3 -20.6 -2.9 -4.5 35.3 106 107 A S S > S- 0 0 41 135,-0.1 4,-2.3 134,-0.1 136,-0.2 -0.967 71.5-102.6-164.4 165.0 -0.1 -2.9 37.5 107 108 A G H > S+ 0 0 13 -2,-0.3 4,-3.5 134,-0.2 5,-0.3 0.882 119.5 55.0 -63.8 -42.6 0.3 -0.5 40.4 108 109 A F H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.891 110.3 47.0 -54.1 -45.8 1.5 2.3 38.1 109 110 A A H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.943 114.4 46.1 -64.9 -47.5 -1.7 1.9 36.2 110 111 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 114.6 46.5 -60.6 -50.9 -3.8 1.8 39.4 111 112 A N H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.940 115.6 47.8 -57.2 -51.8 -2.1 4.9 41.0 112 113 A Q H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.896 110.1 51.1 -49.3 -46.0 -2.4 6.8 37.6 113 114 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.906 112.9 45.7 -68.0 -41.8 -6.1 5.9 37.1 114 115 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.963 116.6 42.1 -61.0 -56.9 -7.1 7.1 40.6 115 116 A I H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.959 116.4 50.0 -56.5 -51.5 -5.2 10.3 40.6 116 117 A A H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 117.9 38.1 -54.9 -48.0 -6.2 11.1 36.9 117 118 A A H < S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.771 124.1 40.6 -75.4 -27.7 -9.9 10.4 37.6 118 119 A M H < S+ 0 0 33 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.826 99.8 69.8 -97.9 -26.3 -10.0 12.0 41.0 119 120 A M < - 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