==== 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 PROTEIN TRANSPORT 14-MAY-02 1LR0 . COMPND 2 MOLECULE: TOLA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.WITTY,C.SANZ,A.SHAH,J.G.GROSSMAN,K.MIZUGUCHI,R.N.PERHAM,B. . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 75.4 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 . 18 14.3 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 . 1 0.8 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 . 8 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A A > 0 0 120 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -38.2 -8.3 3.7 85.5 2 4 A L H > + 0 0 140 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.861 360.0 52.4 -49.9 -41.8 -9.1 5.6 82.3 3 5 A A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.950 110.7 49.1 -55.9 -49.7 -7.2 8.6 83.7 4 6 A E H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.849 107.8 52.2 -57.9 -42.3 -4.3 6.3 84.4 5 7 A L H X S+ 0 0 107 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.901 108.3 54.4 -61.3 -38.8 -4.3 4.7 80.9 6 8 A L H X S+ 0 0 100 -4,-1.9 4,-3.6 -5,-0.3 5,-0.3 0.951 106.0 49.1 -62.2 -50.6 -4.2 8.3 79.6 7 9 A S H X S+ 0 0 69 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.974 112.2 49.7 -52.1 -57.2 -1.1 9.2 81.6 8 10 A D H X S+ 0 0 112 -4,-2.3 4,-3.1 1,-0.3 -2,-0.2 0.946 114.5 43.6 -45.7 -58.8 0.6 6.1 80.4 9 11 A T H X S+ 0 0 84 -4,-3.5 4,-2.8 1,-0.2 -1,-0.3 0.914 114.7 50.3 -57.7 -37.5 -0.3 6.9 76.8 10 12 A T H X S+ 0 0 53 -4,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.902 110.1 49.1 -69.3 -37.9 0.6 10.6 77.3 11 13 A E H X S+ 0 0 61 -4,-3.7 4,-2.0 -5,-0.3 -1,-0.2 0.963 111.6 52.8 -64.5 -45.6 4.0 9.6 78.7 12 14 A R H X S+ 0 0 53 -4,-3.1 4,-1.7 -5,-0.3 -2,-0.2 0.904 109.5 44.6 -54.3 -49.7 4.4 7.3 75.8 13 15 A Q H X S+ 0 0 107 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.932 109.7 56.9 -69.7 -33.5 3.7 9.9 73.1 14 16 A Q H X S+ 0 0 110 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.857 105.1 52.9 -65.9 -31.9 5.9 12.4 74.9 15 17 A A H X S+ 0 0 64 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.980 115.4 37.5 -59.4 -54.7 8.8 9.9 74.6 16 18 A L H X S+ 0 0 119 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.773 112.1 57.8 -68.7 -30.7 8.5 9.3 70.9 17 19 A A H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.818 109.4 46.6 -74.4 -26.6 7.6 12.9 70.0 18 20 A D H X S+ 0 0 107 -4,-1.0 4,-2.1 -3,-0.4 -2,-0.2 0.833 112.8 46.4 -86.9 -34.4 10.8 13.9 71.6 19 21 A E H X S+ 0 0 133 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.906 120.7 40.6 -70.1 -43.2 13.0 11.3 70.0 20 22 A V H X S+ 0 0 83 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.951 115.0 53.5 -65.1 -44.9 11.3 12.2 66.7 21 23 A G H X S+ 0 0 29 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.876 108.8 48.1 -57.2 -42.4 11.4 15.9 67.6 22 24 A S H X S+ 0 0 66 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.878 109.0 52.7 -71.2 -37.0 15.2 15.8 68.3 23 25 A E H X S+ 0 0 143 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.873 113.2 46.8 -62.3 -32.1 15.9 14.0 65.0 24 26 A V H X S+ 0 0 55 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.941 113.6 43.2 -78.2 -51.4 13.9 16.7 63.1 25 27 A T H X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.844 114.9 52.9 -64.6 -32.7 15.4 19.7 64.7 26 28 A G H X S+ 0 0 31 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.898 110.9 46.3 -66.5 -46.3 18.9 18.1 64.4 27 29 A S H X S+ 0 0 75 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.913 115.2 45.3 -67.7 -42.4 18.3 17.5 60.8 28 30 A L H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.881 112.3 50.4 -69.9 -36.0 17.0 21.1 60.1 29 31 A D H X S+ 0 0 35 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.880 110.0 52.6 -68.3 -36.8 19.8 22.8 62.2 30 32 A D H X S+ 0 0 102 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.909 108.0 50.6 -61.4 -46.3 22.3 20.7 60.2 31 33 A L H X S+ 0 0 43 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.942 110.7 48.8 -57.7 -46.9 20.7 22.0 57.0 32 34 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.969 112.9 47.8 -59.3 -46.3 20.9 25.6 58.1 33 35 A V H X S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.940 113.3 46.9 -62.8 -44.5 24.5 25.1 59.1 34 36 A N H X S+ 0 0 50 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.922 113.5 48.1 -64.9 -40.7 25.4 23.4 55.8 35 37 A L H X S+ 0 0 33 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.923 113.5 47.1 -68.1 -39.5 23.6 26.1 53.7 36 38 A V H X S+ 0 0 2 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.913 109.7 55.0 -66.6 -38.5 25.3 28.9 55.6 37 39 A S H < S+ 0 0 0 -4,-2.6 3,-0.3 -5,-0.3 -1,-0.2 0.912 105.1 53.1 -63.3 -39.9 28.6 27.2 55.3 38 40 A Q H < S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.4 43.0 -65.3 -33.5 28.2 27.0 51.5 39 41 A Q H < S+ 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.692 88.5 116.5 -80.1 -18.6 27.6 30.7 51.3 40 42 A W < - 0 0 5 -4,-1.5 2,-0.6 -3,-0.3 42,-0.1 -0.245 45.3-163.8 -64.3 135.9 30.2 31.8 53.8 41 43 A R - 0 0 192 40,-0.3 44,-0.1 -2,-0.0 43,-0.1 -0.948 26.4-134.5-116.4 104.1 33.1 34.0 52.6 42 44 A R - 0 0 118 -2,-0.6 36,-0.1 1,-0.1 -2,-0.0 -0.430 11.3-139.2 -69.9 136.1 35.7 33.8 55.3 43 45 A P > - 0 0 22 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.582 25.2-110.4 -88.1 158.4 37.4 36.9 56.5 44 46 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.0 0, 0.0 34,-0.0 0.791 114.3 58.6 -58.8 -25.3 41.1 37.0 57.2 45 47 A S T 3 S+ 0 0 31 2,-0.0 33,-0.1 30,-0.0 -3,-0.0 0.544 76.0 118.9 -86.0 -6.3 40.5 37.4 60.9 46 48 A A < + 0 0 19 -3,-2.0 2,-0.3 31,-0.1 -4,-0.0 -0.312 40.1 177.6 -60.2 138.4 38.5 34.2 61.3 47 49 A R > - 0 0 151 0, 0.0 3,-1.4 0, 0.0 70,-0.2 -0.999 36.5 -97.0-140.3 149.4 40.1 31.6 63.7 48 50 A N T 3 S+ 0 0 128 -2,-0.3 3,-0.1 1,-0.2 67,-0.0 -0.287 108.4 43.1 -51.0 139.0 39.3 28.2 65.1 49 51 A G T 3 S+ 0 0 67 1,-0.4 2,-0.2 0, 0.0 -1,-0.2 0.316 85.6 119.4 104.5 -17.3 37.8 28.6 68.6 50 52 A X < - 0 0 41 -3,-1.4 -1,-0.4 2,-0.0 2,-0.3 -0.642 39.3-172.5 -82.1 154.8 35.5 31.5 67.7 51 53 A S - 0 0 52 -2,-0.2 2,-0.4 22,-0.2 64,-0.2 -0.994 6.5-173.1-145.5 130.1 31.6 31.3 68.0 52 54 A V E -A 114 0A 0 62,-2.8 62,-3.5 -2,-0.3 2,-0.6 -0.997 14.0-148.1-122.7 132.1 29.0 33.7 66.9 53 55 A E E -AB 113 71A 50 18,-2.5 17,-3.1 -2,-0.4 18,-1.8 -0.896 19.2-169.2 -94.8 130.1 25.3 33.3 67.7 54 56 A V E -AB 112 69A 0 58,-2.6 58,-2.4 -2,-0.6 2,-0.6 -0.950 18.9-136.9-121.0 133.9 23.0 34.6 65.0 55 57 A L E -AB 111 68A 16 13,-3.1 13,-1.8 -2,-0.4 2,-0.5 -0.829 23.0-161.8 -93.4 116.4 19.2 35.2 65.2 56 58 A I E -AB 110 67A 2 54,-2.8 54,-2.7 -2,-0.6 2,-0.5 -0.917 2.5-158.6 -99.4 126.7 17.7 34.0 62.0 57 59 A E E +AB 109 66A 52 9,-2.4 8,-2.5 -2,-0.5 9,-1.4 -0.936 18.6 171.7-112.5 127.5 14.2 35.2 61.1 58 60 A X E - B 0 64A 4 50,-1.7 6,-0.2 -2,-0.5 5,-0.1 -0.908 28.9-130.1-131.1 157.4 12.1 33.2 58.6 59 61 A L > - 0 0 70 4,-2.2 3,-3.0 -2,-0.3 36,-0.1 -0.720 41.7-102.9 -96.3 160.4 8.6 32.9 57.1 60 62 A P T 3 S+ 0 0 25 0, 0.0 38,-0.2 0, 0.0 -1,-0.1 0.744 122.0 61.6 -56.8 -26.3 6.8 29.7 57.0 61 63 A D T 3 S- 0 0 76 2,-0.1 35,-0.2 34,-0.1 34,-0.1 0.540 122.7-105.4 -78.3 -2.0 7.6 29.2 53.3 62 64 A G S < S+ 0 0 0 -3,-3.0 30,-2.5 1,-0.3 2,-0.2 0.283 70.3 145.9 98.8 -5.2 11.3 29.3 54.3 63 65 A T B -C 91 0B 48 28,-0.3 -4,-2.2 1,-0.1 2,-0.6 -0.445 46.6-133.5 -64.9 131.5 12.3 32.7 53.1 64 66 A I E +B 58 0A 13 26,-2.4 -6,-0.3 -6,-0.2 3,-0.1 -0.737 27.7 175.5 -85.9 123.9 14.8 34.3 55.4 65 67 A T E + 0 0 61 -8,-2.5 2,-0.3 -2,-0.6 -7,-0.2 0.595 60.2 0.9-108.4 -9.7 13.9 37.9 56.3 66 68 A N E -B 57 0A 61 -9,-1.4 -9,-2.4 20,-0.1 2,-0.3 -0.978 48.9-170.3-167.7 160.2 16.5 38.9 58.7 67 69 A A E +B 56 0A 7 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.929 17.3 165.2-154.5 134.8 19.7 37.8 60.5 68 70 A S E -B 55 0A 43 -13,-1.8 -13,-3.1 -2,-0.3 2,-0.5 -0.990 42.8 -90.4-148.9 160.1 21.5 39.6 63.2 69 71 A V E +B 54 0A 58 -2,-0.3 -15,-0.3 -15,-0.2 3,-0.2 -0.535 34.0 174.5 -73.0 120.6 24.1 38.9 65.9 70 72 A S E S+ 0 0 44 -17,-3.1 2,-0.3 -2,-0.5 -16,-0.2 0.741 80.2 12.9 -94.4 -34.1 22.6 37.6 69.1 71 73 A R E S-B 53 0A 184 -18,-1.8 -18,-2.5 0, 0.0 -1,-0.3 -0.871 85.9-131.0-142.5 118.8 26.1 37.0 70.8 72 74 A S - 0 0 64 -2,-0.3 4,-0.1 -20,-0.2 -21,-0.1 -0.266 5.0-140.4 -65.9 147.3 29.2 38.3 69.2 73 75 A S - 0 0 29 2,-0.3 -22,-0.2 -23,-0.1 -1,-0.1 0.551 48.5-110.3 -71.9 -15.4 32.3 36.3 68.6 74 76 A G S S+ 0 0 73 1,-0.1 2,-0.5 -24,-0.1 -22,-0.1 0.280 99.7 89.8 93.3 -7.8 34.4 39.2 69.7 75 77 A D > - 0 0 32 1,-0.1 4,-2.5 2,-0.0 -2,-0.3 -0.950 63.2-159.9-123.3 110.1 35.6 39.7 66.1 76 78 A K H > S+ 0 0 163 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.892 87.4 54.1 -65.0 -38.1 33.3 41.9 64.1 77 79 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.920 110.9 46.8 -63.0 -40.2 34.4 40.7 60.6 78 80 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.965 112.6 50.8 -63.0 -45.4 33.6 37.1 61.4 79 81 A D H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.929 112.1 45.8 -52.8 -49.5 30.3 38.2 62.9 80 82 A S H X S+ 0 0 64 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.890 109.1 56.7 -64.8 -36.5 29.4 40.1 59.8 81 83 A S H X S+ 0 0 15 -4,-2.4 4,-1.7 -5,-0.2 -40,-0.3 0.855 107.8 48.2 -65.9 -32.6 30.5 37.2 57.6 82 84 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 111.0 48.9 -70.8 -42.7 28.1 34.9 59.3 83 85 A V H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.932 113.4 48.1 -60.8 -44.3 25.2 37.3 59.1 84 86 A A H X S+ 0 0 47 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 110.1 52.2 -65.5 -37.9 25.9 37.8 55.3 85 87 A A H X S+ 0 0 2 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.915 108.5 50.3 -65.3 -42.0 26.2 34.1 54.8 86 88 A V H >X S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.926 112.0 46.8 -58.0 -57.1 22.8 33.6 56.4 87 89 A R H >< S+ 0 0 111 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.891 107.9 59.0 -53.7 -37.9 21.1 36.3 54.3 88 90 A N H 3< S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.706 88.1 70.4 -68.4 -18.0 22.7 34.8 51.2 89 91 A V H << S- 0 0 22 -3,-1.1 2,-1.9 -4,-0.8 -1,-0.3 0.879 81.5-171.0 -67.2 -33.2 21.1 31.4 51.7 90 92 A G << + 0 0 34 -3,-1.1 -26,-2.4 -4,-0.7 2,-0.3 -0.418 51.9 11.7 87.7 -59.9 17.9 33.2 50.7 91 93 A R B -C 63 0B 143 -2,-1.9 -28,-0.3 -28,-0.3 -29,-0.1 -0.997 42.8-161.7-155.6 148.9 15.4 30.5 51.5 92 94 A I > + 0 0 2 -30,-2.5 3,-2.6 -2,-0.3 4,-0.1 -0.730 15.1 175.3-130.9 74.8 15.0 27.1 53.2 93 95 A P G > S+ 0 0 35 0, 0.0 3,-2.8 0, 0.0 4,-0.2 0.652 70.9 83.3 -60.2 -17.5 11.7 25.7 51.7 94 96 A E G > S+ 0 0 68 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.838 74.7 73.2 -52.4 -26.0 12.5 22.6 53.7 95 97 A X G X S+ 0 0 1 -3,-2.6 3,-1.9 1,-0.3 -1,-0.3 0.762 75.9 77.6 -65.2 -15.3 10.9 24.4 56.5 96 98 A Q G < S+ 0 0 117 -3,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.596 78.3 74.0 -72.8 -5.3 7.6 23.8 54.8 97 99 A Q G < S+ 0 0 154 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.593 80.5 89.2 -79.9 -11.3 7.7 20.3 56.2 98 100 A L S < S- 0 0 24 -3,-1.9 2,-0.1 -4,-0.2 -3,-0.0 -0.665 86.7-111.2 -85.6 143.4 6.9 21.4 59.6 99 101 A P >> - 0 0 84 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.420 39.6-110.6 -60.6 148.9 3.4 21.8 61.0 100 102 A R H 3> S+ 0 0 149 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.780 114.5 54.8 -61.2 -33.7 2.8 25.4 61.4 101 103 A A H 3> S+ 0 0 76 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.849 108.9 49.5 -72.0 -32.7 2.7 25.4 65.2 102 104 A T H <> S+ 0 0 54 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.946 111.6 49.9 -67.8 -47.4 6.1 23.8 65.3 103 105 A F H X>S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 5,-2.0 0.960 111.7 47.5 -46.9 -56.0 7.5 26.4 62.8 104 106 A D H <5S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.2 45.6 -60.7 -32.1 6.1 29.2 64.7 105 107 A S H <5S+ 0 0 95 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.895 131.0 13.8 -80.5 -38.7 7.5 27.9 68.0 106 108 A L H <5S+ 0 0 57 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.690 128.8 31.1-111.6 -27.1 11.0 27.0 66.8 107 109 A Y T <5S+ 0 0 1 -4,-3.1 -49,-0.3 -5,-0.4 3,-0.3 0.559 91.1 80.8-124.9 -12.7 12.0 28.4 63.4 108 110 A R S - 0 0 83 -2,-0.4 4,-2.8 -64,-0.2 3,-0.3 -0.968 28.5-128.6-126.2 142.2 32.0 28.5 64.2 116 118 A P H > S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.865 109.4 53.4 -56.5 -40.0 34.6 29.2 61.5 117 119 A E H > S+ 0 0 50 -67,-0.3 4,-2.6 2,-0.2 5,-0.1 0.870 111.4 44.7 -69.8 -33.3 35.9 25.7 61.6 118 120 A D H > S+ 0 0 65 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.872 112.4 51.1 -76.1 -37.4 32.4 24.2 61.1 119 121 A L H < S+ 0 0 1 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.928 113.4 45.9 -61.2 -39.5 31.6 26.6 58.3 120 122 A S H >< S+ 0 0 49 -4,-2.3 3,-1.5 -5,-0.3 4,-0.5 0.953 108.5 57.4 -68.2 -42.6 34.9 25.6 56.6 121 123 A L H 3< S+ 0 0 117 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.853 118.5 31.4 -51.1 -46.0 34.1 21.9 57.3 122 124 A H T 3< S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.253 85.5 108.2-101.4 13.6 30.8 22.2 55.4 123 125 A H < + 0 0 53 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.905 60.5 90.6 -68.5 -33.9 31.8 24.9 52.8 124 126 A H - 0 0 156 -4,-0.5 2,-0.3 -3,-0.2 -86,-0.1 -0.183 68.8-131.9 -63.8 150.3 31.8 22.4 49.9 125 127 A H 0 0 122 1,-0.1 -1,-0.1 -87,-0.1 -2,-0.0 -0.674 360.0 360.0 -90.4 147.7 28.9 21.5 47.6 126 128 A H 0 0 245 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.106 360.0 360.0 141.1 360.0 27.6 18.1 46.4