==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR TRANSPORT 23-SEP-94 2DRI . COMPND 2 MOLECULE: D-RIBOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.L.MOWBRAY,L.B.COLE . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 0 0 1 1 0 1 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 K 0 0 184 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 133.3 63.6 10.3 58.9 2 2 A D - 0 0 64 29,-0.4 31,-3.0 56,-0.0 2,-0.5 -0.507 360.0-131.9 -73.8 147.1 62.8 10.9 55.3 3 3 A T E -ab 33 58A 28 54,-0.6 56,-3.2 29,-0.2 57,-0.9 -0.887 19.1-171.5-107.2 127.0 63.4 14.5 54.1 4 4 A I E -ab 34 60A 0 29,-3.0 31,-2.5 -2,-0.5 2,-0.4 -0.929 15.8-145.0-108.5 140.5 60.8 16.4 52.1 5 5 A A E -ab 35 61A 0 55,-2.5 57,-3.3 -2,-0.4 2,-0.5 -0.900 8.9-162.3-111.3 139.5 61.9 19.7 50.6 6 6 A L E -ab 36 62A 0 29,-3.2 31,-2.6 -2,-0.4 2,-0.7 -0.976 3.8-169.8-117.1 113.9 59.7 22.8 50.2 7 7 A V E -ab 37 63A 0 55,-2.8 57,-2.8 -2,-0.5 2,-0.3 -0.919 13.2-167.4-104.0 108.6 61.0 25.4 47.7 8 8 A V E -a 38 0A 0 29,-2.3 31,-2.6 -2,-0.7 32,-0.4 -0.742 27.5-129.5-101.4 144.9 58.9 28.5 48.1 9 9 A S S S- 0 0 0 -2,-0.3 32,-3.2 1,-0.2 2,-0.3 0.878 86.8 -20.5 -59.2 -37.8 58.9 31.5 45.6 10 10 A T - 0 0 14 30,-0.2 -1,-0.2 29,-0.2 3,-0.1 -0.971 39.8-149.6-165.8 152.5 59.4 33.9 48.5 11 11 A L S S+ 0 0 65 -2,-0.3 2,-1.1 -3,-0.1 6,-0.1 0.349 83.3 89.9-103.5 0.7 59.0 34.2 52.2 12 12 A N S S+ 0 0 128 4,-0.1 -1,-0.1 5,-0.0 3,-0.1 -0.412 76.4 71.7 -93.8 57.2 58.3 38.0 52.0 13 13 A N S >> S- 0 0 9 -2,-1.1 4,-1.4 -3,-0.1 3,-0.9 -0.750 78.5-136.5-167.7 118.1 54.6 37.5 51.6 14 14 A P H 3> S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.796 102.9 65.1 -50.7 -31.4 52.3 36.3 54.5 15 15 A F H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.947 105.3 41.7 -58.9 -47.8 50.6 34.0 52.1 16 16 A F H <> S+ 0 0 4 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.784 109.7 58.4 -74.4 -25.1 53.7 31.9 51.6 17 17 A V H X S+ 0 0 52 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.934 109.1 45.8 -64.1 -44.3 54.6 32.0 55.3 18 18 A S H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.883 110.9 52.4 -63.6 -40.3 51.2 30.4 56.0 19 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.927 111.0 48.1 -62.2 -44.5 51.7 27.8 53.3 20 20 A K H X S+ 0 0 48 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 110.9 50.2 -61.5 -45.4 55.1 27.0 54.9 21 21 A D H X S+ 0 0 82 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.898 108.9 52.3 -61.1 -40.6 53.5 26.7 58.3 22 22 A G H X S+ 0 0 7 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.938 111.9 45.4 -59.9 -46.8 50.8 24.4 57.0 23 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.892 112.7 51.8 -63.2 -40.4 53.4 22.1 55.4 24 24 A Q H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.890 107.9 51.1 -64.2 -41.9 55.5 22.2 58.6 25 25 A K H X S+ 0 0 163 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 113.7 44.4 -64.0 -39.4 52.6 21.2 60.8 26 26 A E H X S+ 0 0 18 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.905 110.5 53.3 -73.8 -41.6 51.8 18.3 58.6 27 27 A A H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.8 0.931 110.0 49.7 -57.0 -45.2 55.4 17.1 58.2 28 28 A D H ><5S+ 0 0 106 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.899 111.5 48.6 -60.0 -42.2 55.6 17.1 62.0 29 29 A K H 3<5S+ 0 0 147 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.7 42.6 -65.7 -41.3 52.4 15.1 62.3 30 30 A L H 3<5S- 0 0 55 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.399 114.9-111.1 -89.8 1.9 53.5 12.5 59.7 31 31 A G T <<5 + 0 0 32 -4,-0.8 -29,-0.4 -3,-0.6 2,-0.3 0.830 67.4 140.7 76.4 32.8 57.1 12.2 61.0 32 32 A Y < - 0 0 25 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.719 53.7-122.8-105.8 160.2 59.0 13.8 58.1 33 33 A N E -a 3 0A 76 -31,-3.0 -29,-3.0 -2,-0.3 2,-0.6 -0.894 28.5-154.6 -97.1 121.9 61.9 16.1 58.0 34 34 A L E -a 4 0A 20 -2,-0.6 2,-0.5 -31,-0.2 -29,-0.2 -0.890 8.7-168.1-106.0 119.8 61.0 19.4 56.2 35 35 A V E -a 5 0A 31 -31,-2.5 -29,-3.2 -2,-0.6 2,-0.5 -0.889 10.1-159.0-100.7 126.6 63.7 21.5 54.5 36 36 A V E -a 6 0A 44 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.912 10.3-178.1-111.3 128.0 62.6 25.0 53.4 37 37 A L E -a 7 0A 30 -31,-2.6 -29,-2.3 -2,-0.5 2,-0.5 -0.977 17.4-141.5-125.8 139.8 64.4 27.0 50.7 38 38 A D E -a 8 0A 40 -2,-0.4 -29,-0.2 -31,-0.2 -28,-0.1 -0.862 10.7-171.0-103.4 124.3 63.6 30.5 49.5 39 39 A S > - 0 0 0 -31,-2.6 3,-2.2 -2,-0.5 6,-0.3 0.552 28.6-142.5 -86.9 -11.2 63.9 31.3 45.8 40 40 A Q T 3 - 0 0 111 -32,-0.4 -30,-0.2 1,-0.3 -31,-0.1 0.847 62.5 -65.0 50.9 42.3 63.4 35.0 46.5 41 41 A N T 3 S+ 0 0 70 -32,-3.2 -1,-0.3 1,-0.2 -31,-0.1 0.596 108.9 124.8 60.6 15.2 61.4 35.4 43.2 42 42 A N <> - 0 0 68 -3,-2.2 4,-2.4 -33,-0.3 3,-0.4 -0.900 52.0-159.5-113.3 111.6 64.5 34.6 41.2 43 43 A P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.823 97.1 54.8 -54.8 -33.6 64.4 31.6 38.7 44 44 A A H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.904 109.4 45.9 -67.7 -39.7 68.2 31.4 38.9 45 45 A K H > S+ 0 0 72 -3,-0.4 4,-2.0 -6,-0.3 -1,-0.2 0.866 110.3 54.5 -69.2 -37.9 68.1 31.0 42.6 46 46 A E H X S+ 0 0 1 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.931 107.6 49.9 -60.4 -46.5 65.3 28.5 42.3 47 47 A L H X S+ 0 0 49 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.937 110.2 49.5 -60.3 -46.0 67.4 26.3 40.0 48 48 A A H X S+ 0 0 39 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.877 109.1 54.1 -61.4 -37.1 70.4 26.4 42.3 49 49 A N H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.928 111.3 43.8 -61.5 -47.9 68.1 25.4 45.2 50 50 A V H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.918 111.1 53.9 -66.0 -45.2 66.8 22.4 43.3 51 51 A Q H < S+ 0 0 89 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.933 110.3 49.4 -53.4 -45.6 70.3 21.4 42.2 52 52 A D H >< S+ 0 0 87 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.914 109.6 49.2 -57.5 -49.2 71.4 21.5 45.8 53 53 A L H ><>S+ 0 0 5 -4,-2.0 3,-2.0 1,-0.2 5,-1.0 0.806 94.9 73.1 -66.1 -29.8 68.6 19.4 47.1 54 54 A T T 3<5S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.3 3,-0.2 0.724 105.7 37.6 -61.2 -20.2 69.0 16.6 44.5 55 55 A V T < 5S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.243 98.7 79.8-113.9 12.9 72.2 15.4 46.3 56 56 A R T < 5S- 0 0 122 -3,-2.0 -2,-0.1 -4,-0.1 -1,-0.1 0.306 112.1 -98.7-100.1 6.3 71.0 16.0 49.9 57 57 A G T 5 + 0 0 45 -4,-0.2 -54,-0.6 1,-0.2 2,-0.3 0.784 61.5 171.6 82.1 24.8 68.9 12.8 50.1 58 58 A T E < -b 3 0A 11 -5,-1.0 -1,-0.2 1,-0.1 -54,-0.2 -0.552 19.5-166.9 -70.0 130.5 65.7 14.6 49.4 59 59 A K E + 0 0 89 -56,-3.2 2,-0.3 1,-0.3 -55,-0.2 0.845 69.6 11.3 -87.6 -41.1 62.8 12.1 49.0 60 60 A I E -b 4 0A 0 -57,-0.9 -55,-2.5 23,-0.2 2,-0.6 -0.995 65.9-140.1-139.8 144.4 60.1 14.4 47.5 61 61 A L E -bc 5 85A 4 23,-2.8 25,-2.6 -2,-0.3 2,-0.6 -0.935 10.3-170.1-109.9 116.2 60.2 18.0 46.1 62 62 A L E -bc 6 86A 0 -57,-3.3 -55,-2.8 -2,-0.6 2,-0.4 -0.933 21.5-176.2 -95.0 116.1 57.3 20.3 46.9 63 63 A I E -bc 7 87A 1 23,-2.6 25,-2.5 -2,-0.6 27,-0.2 -0.960 30.1-164.6-126.3 136.0 57.8 23.4 44.7 64 64 A N - 0 0 0 -57,-2.8 25,-0.1 -2,-0.4 27,-0.1 -0.916 38.2-129.1-108.6 96.7 56.0 26.7 44.3 65 65 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 -56,-0.2 -0.105 12.4-152.2 -49.7 138.5 57.4 28.0 40.9 66 66 A T S S+ 0 0 5 1,-0.4 2,-0.3 -58,-0.1 -58,-0.0 0.784 95.1 10.6 -76.4 -27.1 58.8 31.5 40.7 67 67 A D S > S- 0 0 38 -25,-0.1 4,-1.9 1,-0.1 -1,-0.4 -0.947 73.1-140.6-153.6 125.9 57.8 31.4 37.1 68 68 A S T 4 S+ 0 0 2 66,-2.4 25,-2.9 -2,-0.3 26,-0.5 0.769 102.7 36.1 -65.3 -29.2 55.6 28.7 35.5 69 69 A D T >4 S+ 0 0 101 65,-0.7 3,-1.1 23,-0.2 4,-0.2 0.866 116.7 49.5 -90.6 -40.4 57.5 28.5 32.2 70 70 A A T >4 S+ 0 0 47 1,-0.2 3,-1.0 64,-0.2 4,-0.4 0.798 96.5 71.2 -70.0 -28.0 61.1 29.1 33.5 71 71 A V T >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.7 0.676 72.8 92.2 -64.8 -15.1 60.8 26.4 36.3 72 72 A G H <> S+ 0 0 4 -3,-1.1 4,-2.7 1,-0.3 -1,-0.2 0.861 82.3 51.4 -45.9 -48.9 60.8 23.7 33.6 73 73 A N H <> S+ 0 0 110 -3,-1.0 4,-1.5 1,-0.2 -1,-0.3 0.875 110.1 49.2 -59.1 -40.3 64.6 23.2 33.8 74 74 A A H <> S+ 0 0 2 -3,-0.7 4,-1.9 -4,-0.4 -1,-0.2 0.910 111.6 48.6 -66.9 -43.6 64.5 22.8 37.6 75 75 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.933 109.4 52.8 -61.2 -45.1 61.7 20.3 37.3 76 76 A K H X S+ 0 0 98 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.830 106.4 54.3 -61.5 -30.6 63.6 18.3 34.7 77 77 A M H X S+ 0 0 58 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.917 108.8 46.9 -69.4 -42.2 66.6 18.3 37.0 78 78 A A H <>S+ 0 0 1 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.893 110.8 54.5 -63.0 -38.1 64.5 16.7 39.8 79 79 A N H ><5S+ 0 0 44 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.928 107.2 49.1 -60.8 -46.5 63.2 14.3 37.1 80 80 A Q H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 110.1 51.7 -61.0 -36.5 66.7 13.2 36.2 81 81 A A T 3<5S- 0 0 37 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.423 114.0-120.2 -81.4 1.7 67.5 12.7 39.9 82 82 A N T < 5 + 0 0 144 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.866 64.4 143.6 62.2 36.9 64.4 10.5 40.3 83 83 A I < - 0 0 16 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.2 -0.958 52.4-123.4-109.7 115.1 62.8 12.8 42.9 84 84 A P - 0 0 38 0, 0.0 -23,-2.8 0, 0.0 2,-0.4 -0.331 25.7-145.2 -58.1 137.8 59.0 13.1 42.6 85 85 A V E -c 61 0A 1 11,-0.3 13,-2.9 -25,-0.2 14,-0.8 -0.926 18.2-177.7-114.6 130.1 57.8 16.7 42.1 86 86 A I E -cd 62 99A 0 -25,-2.6 -23,-2.6 -2,-0.4 2,-0.4 -0.997 18.5-145.6-122.5 123.4 54.5 18.1 43.4 87 87 A T E -cd 63 100A 2 12,-2.1 14,-2.3 -2,-0.4 2,-0.4 -0.744 9.8-156.6 -93.3 142.2 53.7 21.7 42.5 88 88 A L E - d 0 101A 0 -25,-2.5 2,-1.9 -2,-0.4 14,-0.2 -0.975 64.2 -20.6-121.4 129.8 51.9 24.0 45.0 89 89 A D S S+ 0 0 5 12,-3.3 2,-0.4 -2,-0.4 14,-0.2 -0.174 125.2 53.7 75.5 -43.3 49.9 27.1 44.1 90 90 A R S S- 0 0 5 -2,-1.9 11,-0.1 -27,-0.2 -2,-0.1 -0.956 82.6-119.7-125.0 148.0 51.5 27.7 40.7 91 91 A Q - 0 0 69 -2,-0.4 2,-0.5 -27,-0.1 45,-0.3 -0.330 9.8-135.0 -79.8 158.0 51.8 25.3 37.7 92 92 A A - 0 0 15 1,-0.1 -23,-0.2 3,-0.1 -24,-0.1 -0.983 11.0-159.3-111.0 122.4 54.9 24.1 36.0 93 93 A T S S+ 0 0 70 -25,-2.9 2,-0.3 -2,-0.5 -24,-0.1 0.761 75.0 29.0 -73.2 -27.2 54.4 24.2 32.3 94 94 A K S S+ 0 0 120 -26,-0.5 -19,-0.2 -25,-0.1 -18,-0.1 -0.933 92.1 50.9-133.7 157.4 57.2 21.7 31.5 95 95 A G S S- 0 0 28 -2,-0.3 2,-0.5 -20,-0.1 -3,-0.1 -0.048 89.2 -63.7 96.8 155.7 58.7 18.7 33.3 96 96 A E - 0 0 156 -21,-0.1 2,-0.4 -24,-0.1 -11,-0.3 -0.686 52.4-177.8 -82.3 123.4 57.1 15.7 34.9 97 97 A V - 0 0 50 -2,-0.5 -11,-0.2 1,-0.1 3,-0.1 -0.973 20.5-159.1-123.1 132.6 54.8 16.5 37.9 98 98 A V S S- 0 0 56 -13,-2.9 2,-0.3 -2,-0.4 -12,-0.2 0.895 76.1 -4.1 -75.6 -43.5 53.0 13.9 40.0 99 99 A S E -d 86 0A 1 -14,-0.8 -12,-2.1 2,-0.0 2,-0.4 -0.991 56.1-150.4-152.1 152.7 50.4 16.2 41.5 100 100 A H E -de 87 260A 19 159,-1.4 161,-2.6 -2,-0.3 2,-0.5 -0.998 10.5-168.0-129.2 128.6 49.4 19.9 41.4 101 101 A I E +de 88 261A 0 -14,-2.3 -12,-3.3 -2,-0.4 2,-0.3 -0.964 30.4 121.6-121.4 118.2 47.6 21.6 44.3 102 102 A A E - e 0 262A 2 159,-1.5 161,-1.0 -2,-0.5 2,-0.1 -0.988 55.5 -90.9-164.9 166.1 46.0 25.1 43.9 103 103 A S E - e 0 263A 2 -2,-0.3 2,-1.5 159,-0.2 3,-0.1 -0.355 49.6 -97.5 -76.8 162.8 42.9 27.2 44.0 104 104 A D > + 0 0 84 159,-0.6 4,-2.3 1,-0.2 5,-0.1 -0.687 46.5 178.4 -82.2 92.3 40.7 27.8 41.0 105 105 A N H > S+ 0 0 0 -2,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.768 74.9 57.5 -72.2 -26.7 42.3 31.2 40.0 106 106 A V H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 110.6 44.1 -66.0 -46.5 40.1 31.6 36.9 107 107 A L H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.935 111.3 56.0 -60.0 -45.3 37.0 31.4 39.2 108 108 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.892 107.6 47.5 -54.7 -45.3 38.7 33.7 41.7 109 109 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.889 112.8 47.9 -65.9 -41.0 39.2 36.4 39.2 110 110 A K H X S+ 0 0 75 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.902 110.7 51.9 -66.1 -41.1 35.6 36.3 37.9 111 111 A I H X S+ 0 0 47 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.879 108.8 50.6 -62.2 -40.8 34.2 36.3 41.4 112 112 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.930 112.6 46.4 -62.9 -46.5 36.3 39.5 42.2 113 113 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 109.6 54.1 -63.4 -41.2 35.0 41.2 39.1 114 114 A D H X S+ 0 0 47 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.857 107.1 51.7 -61.7 -36.1 31.4 40.2 39.8 115 115 A Y H X S+ 0 0 35 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.846 108.0 51.7 -70.1 -33.8 31.6 41.7 43.2 116 116 A I H >X>S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.7 0.949 108.6 50.6 -65.1 -46.8 32.9 45.0 41.8 117 117 A A H 3X5S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.874 107.1 55.6 -58.3 -36.8 30.0 45.1 39.4 118 118 A K H 3<5S+ 0 0 149 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.805 121.3 27.2 -66.9 -30.2 27.6 44.5 42.3 119 119 A K H <<5S+ 0 0 114 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.896 130.9 31.9 -98.4 -55.2 28.9 47.5 44.2 120 120 A A H <5S- 0 0 32 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.560 109.6-125.7 -81.6 -11.8 30.3 50.1 41.6 121 121 A G ><< - 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