==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-JUN-01 1JD3 . COMPND 2 MOLECULE: CHORISMATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.MAYHEW,N.SMITH,M.J.HOLDEN,D.T.GALLAGHER . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 33.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 10.4 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 0 1 0 3 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 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 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 S 0 0 130 0, 0.0 3,-0.1 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 179.2 -1.4 4.6 36.5 2 2 A H > - 0 0 59 1,-0.1 4,-1.7 2,-0.0 3,-0.2 -0.881 360.0-111.7-177.5 144.9 -0.3 3.0 39.9 3 3 A P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.888 115.5 53.5 -59.2 -35.0 1.2 4.2 43.1 4 4 A A H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.909 109.3 49.1 -64.6 -38.5 4.5 2.2 42.6 5 5 A L H > S+ 0 0 4 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.810 108.2 54.4 -68.2 -30.0 5.0 3.9 39.1 6 6 A T H X S+ 0 0 85 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.905 110.5 45.6 -69.6 -42.2 4.3 7.3 40.6 7 7 A Q H >< S+ 0 0 89 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.881 109.8 55.9 -66.2 -37.4 7.1 6.7 43.2 8 8 A L H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.893 103.2 55.2 -59.3 -41.8 9.4 5.3 40.3 9 9 A R H 3< S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.721 103.6 56.3 -68.8 -17.0 8.9 8.6 38.4 10 10 A A T << S+ 0 0 46 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.445 73.7 128.9 -91.0 -8.6 10.2 10.6 41.5 11 11 A L < - 0 0 11 -3,-1.2 2,-0.5 -4,-0.4 123,-0.2 -0.206 50.1-145.8 -49.2 139.8 13.6 8.9 41.9 12 12 A R E -A 133 0A 165 121,-1.8 121,-2.2 2,-0.0 2,-0.2 -0.984 16.1-150.6-117.4 124.2 16.4 11.4 42.1 13 13 A Y E -A 132 0A 56 -2,-0.5 2,-0.4 119,-0.3 119,-0.2 -0.533 5.7-141.8 -92.9 152.6 19.7 10.2 40.4 14 14 A S - 0 0 52 117,-1.6 117,-0.4 -2,-0.2 -2,-0.0 -0.938 16.2-134.5-114.9 142.6 23.3 11.0 41.2 15 15 A K S S+ 0 0 181 -2,-0.4 2,-0.3 115,-0.1 -1,-0.1 0.907 92.9 51.7 -58.2 -40.9 25.8 11.4 38.4 16 16 A E S S- 0 0 140 -3,-0.1 115,-0.1 114,-0.1 -2,-0.1 -0.766 94.9-109.7-103.3 138.4 28.3 9.2 40.2 17 17 A I - 0 0 63 -2,-0.3 -2,-0.1 112,-0.1 113,-0.0 -0.494 38.4-122.7 -68.7 126.1 27.7 5.8 41.7 18 18 A P - 0 0 44 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 -0.293 22.6-109.0 -69.1 153.0 27.6 6.0 45.5 19 19 A A + 0 0 109 6,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.583 57.8 166.6 -80.9 71.9 30.1 3.8 47.5 20 20 A L - 0 0 39 -2,-1.9 5,-0.0 1,-0.2 -3,-0.0 -0.270 48.1 -75.0 -83.9 170.4 27.4 1.4 48.8 21 21 A D >> - 0 0 88 1,-0.1 4,-1.8 -2,-0.1 3,-0.6 -0.388 47.9-113.3 -69.1 153.6 28.0 -1.8 50.4 22 22 A P H 3> S+ 0 0 98 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.773 112.2 58.0 -52.3 -37.0 29.0 -4.5 47.9 23 23 A Q H 3> S+ 0 0 140 1,-0.2 4,-1.3 2,-0.2 -2,-0.0 0.881 109.1 45.6 -64.2 -42.8 25.9 -6.6 48.4 24 24 A L H <> S+ 0 0 17 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.904 113.6 48.9 -70.4 -37.0 23.7 -3.8 47.4 25 25 A L H X S+ 0 0 41 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.831 103.2 62.5 -71.4 -33.7 26.0 -2.8 44.3 26 26 A D H < S+ 0 0 78 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.951 109.6 39.7 -57.7 -43.4 26.0 -6.3 43.2 27 27 A W H >< S+ 0 0 26 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.915 116.9 48.4 -66.3 -49.8 22.2 -6.1 42.8 28 28 A L H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.761 114.2 43.8 -69.7 -26.5 22.1 -2.6 41.3 29 29 A L T 3< S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 0.328 78.9 141.2 -98.4 4.9 24.8 -3.0 38.7 30 30 A L < - 0 0 39 -3,-0.8 2,-1.3 -4,-0.3 -3,-0.1 -0.226 56.5-130.7 -44.5 134.1 23.6 -6.4 37.5 31 31 A E S S+ 0 0 143 95,-0.0 2,-0.3 85,-0.0 -1,-0.2 -0.255 82.3 44.8 -87.5 52.5 24.0 -6.6 33.7 32 32 A D S S- 0 0 48 -2,-1.3 83,-0.1 83,-0.1 82,-0.0 -0.933 96.7 -80.0-171.6 173.6 20.4 -7.9 33.1 33 33 A S - 0 0 12 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.162 52.6-105.0 -74.8 179.3 16.8 -7.2 34.2 34 34 A M S > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.442 91.4 103.1 -91.3 0.3 15.9 -8.8 37.6 35 35 A T H > S+ 0 0 4 79,-0.5 4,-1.9 1,-0.2 3,-0.2 0.932 86.7 32.6 -50.7 -57.5 13.8 -11.6 36.3 36 36 A K H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 115.9 56.8 -74.6 -32.3 16.2 -14.5 36.6 37 37 A R H > S+ 0 0 65 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.849 108.6 48.2 -65.0 -36.0 17.9 -13.2 39.8 38 38 A F H >< S+ 0 0 0 -4,-2.4 3,-1.1 -3,-0.2 5,-0.3 0.895 109.7 52.1 -71.2 -37.5 14.5 -13.1 41.5 39 39 A E H >X S+ 0 0 71 -4,-1.9 3,-2.1 -5,-0.3 4,-1.0 0.839 100.0 64.9 -60.5 -34.5 13.8 -16.6 40.3 40 40 A Q H 3< S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.754 87.6 67.9 -60.1 -28.4 17.1 -17.6 41.8 41 41 A Q T << S- 0 0 76 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.351 128.8 -94.8 -71.6 5.4 15.7 -16.7 45.3 42 42 A G T <4 S+ 0 0 63 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.902 86.1 128.2 82.7 44.8 13.3 -19.8 44.9 43 43 A K < - 0 0 70 -4,-1.0 2,-0.3 -5,-0.3 -1,-0.3 -0.963 60.4-127.2-135.1 156.6 10.3 -17.8 43.5 44 44 A T - 0 0 95 -2,-0.3 39,-2.7 2,-0.0 2,-0.4 -0.725 31.6-146.6 -94.6 138.3 8.0 -17.8 40.6 45 45 A V E +B 82 0A 20 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.937 19.4 176.9-112.4 139.2 7.9 -14.4 38.8 46 46 A S E -B 81 0A 56 35,-2.2 35,-2.9 -2,-0.4 2,-0.4 -0.967 21.2-132.0-136.7 154.9 4.8 -12.8 37.1 47 47 A V E -B 80 0A 7 64,-0.5 2,-0.6 -2,-0.3 33,-0.2 -0.902 6.2-158.3-106.4 134.9 4.1 -9.5 35.5 48 48 A T E -B 79 0A 60 31,-2.8 31,-2.1 -2,-0.4 2,-0.5 -0.962 23.4-134.5-109.1 122.4 1.2 -7.2 36.1 49 49 A M E +B 78 0A 47 -2,-0.6 29,-0.2 29,-0.2 3,-0.1 -0.590 30.1 170.8 -80.4 120.9 0.7 -4.9 33.1 50 50 A I E - 0 0 35 27,-2.6 2,-0.3 -2,-0.5 28,-0.2 0.889 68.5 -16.1 -96.6 -41.6 0.1 -1.3 34.2 51 51 A R E +B 77 0A 85 26,-2.2 26,-3.0 2,-0.0 -1,-0.4 -0.963 57.1 175.1-161.6 139.3 0.3 0.4 30.8 52 52 A E E +B 76 0A 70 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.982 33.6 93.4-144.4 133.4 1.7 -0.6 27.3 53 53 A G E S-B 75 0A 17 22,-2.1 22,-2.7 -2,-0.3 2,-0.3 -0.892 70.1 -67.2 163.2 171.7 1.3 1.6 24.1 54 54 A F E +B 74 0A 94 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.676 51.3 175.8 -83.5 141.4 2.8 4.2 21.7 55 55 A V E -B 73 0A 6 18,-2.1 18,-2.7 -2,-0.3 2,-0.2 -0.876 23.9-120.8-138.6 170.4 3.1 7.6 23.2 56 56 A E > - 0 0 106 -2,-0.3 3,-1.9 16,-0.2 4,-0.3 -0.563 43.2 -85.1-109.9 172.9 4.5 10.9 22.0 57 57 A Q G > S+ 0 0 72 13,-0.3 3,-1.5 1,-0.3 7,-0.2 0.689 118.6 67.9 -50.7 -37.8 7.3 13.0 23.5 58 58 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 6,-0.0 0.720 98.4 56.6 -58.0 -25.8 5.2 14.9 26.1 59 59 A E G < S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.579 106.2 47.3 -84.7 -10.6 4.7 11.5 27.9 60 60 A I X> + 0 0 0 -3,-1.5 4,-2.3 -4,-0.3 3,-0.8 -0.203 61.4 147.5-124.3 45.6 8.4 10.7 28.5 61 61 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.794 75.8 47.2 -51.1 -37.4 9.8 14.0 29.8 62 62 A E T 34 S+ 0 0 65 1,-0.1 4,-0.1 -3,-0.1 -2,-0.1 0.803 118.0 39.0 -75.4 -31.5 12.4 12.2 32.0 63 63 A E T X4 S+ 0 0 7 -3,-0.8 3,-2.1 1,-0.1 4,-0.5 0.752 94.7 82.8 -88.7 -29.4 13.7 9.8 29.3 64 64 A L G >< S+ 0 0 32 -4,-2.3 3,-1.3 1,-0.3 -1,-0.1 0.845 84.4 59.2 -46.2 -42.1 13.7 12.2 26.3 65 65 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.733 109.2 46.1 -64.4 -15.4 17.1 13.7 27.1 66 66 A L G < S+ 0 0 28 -3,-2.1 -2,-0.2 -4,-0.1 85,-0.1 0.455 110.4 54.6-104.9 -0.4 18.7 10.3 26.9 67 67 A L S < S- 0 0 5 -3,-1.3 27,-0.0 -4,-0.5 84,-0.0 -0.840 93.6 -81.2-130.9 166.4 17.1 9.0 23.6 68 68 A P - 0 0 53 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.282 49.4-112.0 -64.3 154.9 16.8 10.2 19.9 69 69 A K + 0 0 127 -4,-0.1 2,-0.3 26,-0.1 -5,-0.0 -0.832 55.3 155.1 -93.0 122.9 14.0 12.7 19.4 70 70 A E - 0 0 35 -2,-0.7 -13,-0.3 -3,-0.0 3,-0.1 -0.847 54.7-105.0-139.3 173.3 11.3 10.9 17.4 71 71 A S S S+ 0 0 90 -2,-0.3 2,-0.3 1,-0.1 -14,-0.2 0.755 96.5 17.4 -79.8 -20.5 7.6 11.2 16.8 72 72 A R - 0 0 102 -16,-0.1 24,-1.7 -15,-0.1 2,-0.3 -0.987 57.4-163.8-151.9 157.2 6.6 8.2 18.8 73 73 A Y E -BC 55 95A 0 -18,-2.7 -18,-2.1 -2,-0.3 2,-0.5 -0.910 24.9-124.1-138.3 155.9 7.8 5.8 21.6 74 74 A W E -BC 54 94A 24 20,-2.1 20,-2.8 -2,-0.3 2,-0.4 -0.934 32.0-162.3-100.2 128.2 6.7 2.4 22.9 75 75 A L E -BC 53 93A 0 -22,-2.7 -22,-2.1 -2,-0.5 2,-0.4 -0.958 10.9-178.1-115.9 133.9 6.0 2.7 26.6 76 76 A R E +BC 52 92A 7 16,-2.3 16,-2.6 -2,-0.4 2,-0.5 -0.965 2.2 177.9-135.9 118.5 5.9 -0.3 28.9 77 77 A E E +BC 51 91A 9 -26,-3.0 -27,-2.6 -2,-0.4 -26,-2.2 -0.987 15.7 162.8-125.2 123.4 5.1 0.1 32.6 78 78 A I E -BC 49 90A 13 12,-2.2 12,-2.5 -2,-0.5 2,-0.4 -0.882 36.1-136.2-134.1 169.7 4.8 -3.1 34.8 79 79 A L E -BC 48 89A 11 -31,-2.1 -31,-2.8 -2,-0.3 2,-0.5 -0.983 23.0-151.3-119.6 130.4 4.8 -4.5 38.3 80 80 A L E -BC 47 88A 6 8,-3.5 7,-2.9 -2,-0.4 8,-1.7 -0.942 12.3-163.5-107.1 130.6 6.9 -7.6 38.8 81 81 A S E -BC 46 86A 9 -35,-2.9 -35,-2.2 -2,-0.5 2,-0.6 -0.848 14.3-146.7-112.5 142.0 5.7 -10.0 41.6 82 82 A A E > S-BC 45 85A 0 3,-2.7 3,-1.9 -2,-0.3 -37,-0.2 -0.962 89.5 -20.9-105.8 114.9 7.7 -12.9 43.3 83 83 A D T 3 S- 0 0 93 -39,-2.7 -1,-0.2 -2,-0.6 -38,-0.1 0.896 132.6 -47.0 49.0 46.2 5.1 -15.7 44.2 84 84 A G T 3 S+ 0 0 62 -40,-0.2 -1,-0.3 1,-0.2 -39,-0.1 0.376 116.9 114.1 83.9 -7.0 2.3 -13.1 44.1 85 85 A E E < S-C 82 0A 91 -3,-1.9 -3,-2.7 75,-0.0 -1,-0.2 -0.872 71.3-117.7-102.4 118.5 4.2 -10.4 46.2 86 86 A P E +C 81 0A 58 0, 0.0 74,-0.3 0, 0.0 -5,-0.3 -0.330 41.7 162.4 -55.7 128.1 5.2 -7.1 44.4 87 87 A W E + 0 0 12 -7,-2.9 71,-2.0 1,-0.4 2,-0.3 0.567 58.0 11.5-116.6 -21.5 9.0 -6.8 44.3 88 88 A L E -CD 80 157A 4 -8,-1.7 -8,-3.5 69,-0.2 -1,-0.4 -0.995 49.9-148.9-159.8 151.6 9.6 -4.2 41.6 89 89 A A E -CD 79 156A 0 67,-2.1 67,-3.4 -2,-0.3 2,-0.4 -0.922 25.2-172.5-120.1 145.9 8.1 -1.6 39.4 90 90 A A E -CD 78 155A 8 -12,-2.5 -12,-2.2 -2,-0.4 2,-0.4 -0.997 16.8-165.6-145.9 145.5 9.6 -0.9 36.0 91 91 A R E -CD 77 154A 2 63,-2.3 63,-2.9 -2,-0.4 2,-0.4 -0.989 9.8-172.1-131.6 125.1 9.2 1.6 33.1 92 92 A T E -CD 76 153A 7 -16,-2.6 -16,-2.3 -2,-0.4 2,-0.5 -0.956 3.0-167.2-121.5 135.2 10.8 0.9 29.6 93 93 A V E -CD 75 152A 0 59,-2.5 59,-2.8 -2,-0.4 -18,-0.2 -0.993 6.2-174.5-129.5 120.6 10.8 3.5 26.9 94 94 A V E -C 74 0A 1 -20,-2.8 -20,-2.1 -2,-0.5 57,-0.2 -0.966 24.6-130.3-118.9 121.4 11.7 2.5 23.3 95 95 A P E >> -C 73 0A 0 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.450 28.6-122.0 -64.2 143.9 12.1 4.9 20.4 96 96 A V G >4 S+ 0 0 48 -24,-1.7 3,-0.9 1,-0.3 -23,-0.1 0.805 110.4 66.8 -63.1 -19.7 10.0 3.4 17.5 97 97 A S G 34 S+ 0 0 67 -25,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.758 93.2 58.5 -70.2 -16.7 13.2 3.3 15.4 98 98 A T G <4 S+ 0 0 0 -3,-2.1 2,-2.1 1,-0.2 -1,-0.3 0.790 87.7 83.7 -76.6 -20.1 14.6 0.7 17.7 99 99 A L << + 0 0 21 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.484 68.4 110.0 -85.0 70.7 11.5 -1.5 16.8 100 100 A S S > S- 0 0 53 -2,-2.1 3,-1.3 -3,-0.1 4,-0.2 -0.982 73.2 -8.6-143.3 146.6 12.9 -2.9 13.6 101 101 A G G > S- 0 0 59 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 -0.312 133.0 -10.9 64.8-142.4 14.1 -6.4 12.7 102 102 A P G > S+ 0 0 88 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 0.839 129.6 69.3 -61.0 -30.4 14.2 -8.7 15.7 103 103 A E G X S+ 0 0 4 -3,-1.3 3,-2.3 1,-0.3 4,-0.4 0.714 76.8 82.7 -65.3 -16.2 13.7 -5.9 18.1 104 104 A L G X S+ 0 0 85 -3,-1.7 3,-1.3 1,-0.3 4,-0.4 0.783 77.0 72.7 -58.4 -21.1 10.1 -5.5 16.9 105 105 A A G X S+ 0 0 57 -3,-2.0 3,-0.8 -4,-0.2 4,-0.4 0.707 76.1 77.0 -69.0 -13.4 9.3 -8.3 19.3 106 106 A L G X S+ 0 0 6 -3,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.802 91.9 58.0 -62.6 -28.4 9.7 -5.9 22.3 107 107 A Q G < S+ 0 0 37 -3,-1.3 3,-0.3 -4,-0.4 -1,-0.3 0.785 106.7 43.0 -70.6 -33.9 6.4 -4.6 21.3 108 108 A K G < S+ 0 0 156 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.249 80.0 107.7 -98.7 7.3 4.5 -8.0 21.6 109 109 A L X + 0 0 22 -3,-0.6 3,-1.6 -4,-0.4 -1,-0.2 0.879 45.5 164.6 -52.8 -45.9 6.1 -9.1 24.9 110 110 A G T 3 S- 0 0 19 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.0 -0.321 70.1 -9.9 62.8-132.1 3.0 -8.5 27.0 111 111 A K T 3 S+ 0 0 153 -2,-0.1 -64,-0.5 2,-0.1 -1,-0.3 0.258 103.4 112.6 -85.9 13.4 3.2 -10.2 30.3 112 112 A T S < S- 0 0 64 -3,-1.6 2,-0.4 -66,-0.1 -66,-0.1 -0.723 75.8-117.2 -80.9 134.3 6.4 -12.2 29.5 113 113 A P - 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