==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-12 4G9G . COMPND 2 MOLECULE: ALPHA/BETA HYDROLASE FOLD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OCHROBACTRUM; . AUTHOR D.C.LIANG,X.X.YAN,A.GAO . 550 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 42 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 8 5 0 2 0 2 0 0 6 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 . 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 T 0 0 128 0, 0.0 2,-0.5 0, 0.0 19,-0.3 0.000 360.0 360.0 360.0 152.5 12.8 18.0 18.1 2 3 A I - 0 0 50 17,-0.1 2,-0.8 18,-0.1 17,-0.2 -0.866 360.0-137.1 -98.0 130.9 11.0 14.7 18.7 3 4 A N E -A 18 0A 76 15,-3.1 15,-2.0 -2,-0.5 2,-0.4 -0.782 23.3-170.3 -89.5 106.1 13.1 11.6 19.0 4 5 A Y E +A 17 0A 92 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.836 18.5 145.3 -98.5 133.1 11.6 8.8 17.0 5 6 A H E -A 16 0A 52 11,-2.4 11,-3.0 -2,-0.4 2,-0.4 -0.977 36.9-122.3-158.2 168.8 12.9 5.3 17.4 6 7 A E E -A 15 0A 88 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.934 14.2-152.5-124.3 140.1 11.8 1.7 17.4 7 8 A L E -A 14 0A 23 7,-3.1 7,-2.9 -2,-0.4 2,-0.7 -0.910 15.1-135.0-110.6 133.8 12.1 -1.1 20.0 8 9 A E E +A 13 0A 133 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.803 40.9 168.5 -81.6 116.7 12.3 -4.8 19.3 9 10 A T E > -A 12 0A 12 3,-2.1 3,-1.3 -2,-0.7 73,-0.0 -0.776 52.8-101.8-124.2 171.0 9.9 -6.3 21.9 10 11 A S T 3 S+ 0 0 29 1,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.730 123.7 52.6 -64.1 -19.7 8.4 -9.7 22.5 11 12 A H T 3 S- 0 0 1 1,-0.4 57,-2.0 57,-0.1 2,-0.3 0.571 125.5 -86.8 -89.4 -12.4 5.2 -8.2 21.0 12 13 A G E < S-A 9 0A 4 -3,-1.3 -3,-2.1 55,-0.2 2,-0.6 -0.863 71.1 -29.7 130.6-170.3 6.8 -7.0 17.9 13 14 A R E -A 8 0A 88 -2,-0.3 52,-2.4 53,-0.3 2,-0.5 -0.751 61.6-156.5 -89.6 118.9 8.6 -3.8 16.8 14 15 A I E -A 7 0A 1 -7,-2.9 -7,-3.1 -2,-0.6 2,-0.3 -0.826 7.4-140.5-100.7 127.2 7.2 -0.9 18.8 15 16 A A E -A 6 0A 0 -2,-0.5 42,-2.3 42,-0.3 2,-0.4 -0.688 22.3-168.3 -82.5 138.8 7.5 2.7 17.6 16 17 A V E -AB 5 56A 0 -11,-3.0 -11,-2.4 -2,-0.3 2,-0.5 -0.995 12.4-163.0-133.7 130.1 8.4 5.2 20.3 17 18 A R E -AB 4 55A 28 38,-1.0 38,-3.0 -2,-0.4 2,-0.4 -0.955 13.9-175.0-109.7 133.4 8.3 9.0 20.2 18 19 A E E -AB 3 54A 10 -15,-2.0 -15,-3.1 -2,-0.5 36,-0.2 -0.993 17.6-140.3-129.5 133.2 10.1 10.9 22.9 19 20 A S - 0 0 6 34,-2.4 -17,-0.1 -2,-0.4 30,-0.1 -0.342 26.3-118.9 -74.8 171.1 10.3 14.6 23.6 20 21 A E + 0 0 130 -19,-0.3 32,-0.2 23,-0.2 29,-0.1 0.300 64.0 138.8 -97.0 11.0 13.6 16.1 24.6 21 22 A G - 0 0 8 27,-1.0 29,-0.2 30,-0.6 30,-0.2 -0.245 45.4-152.7 -56.1 139.3 12.4 17.3 28.0 22 23 A E + 0 0 200 27,-0.4 29,-0.2 28,-0.3 -1,-0.1 0.491 65.3 91.6 -92.9 -6.3 14.8 16.7 30.9 23 24 A G E S-c 51 0A 28 27,-2.3 29,-0.7 1,-0.2 28,-0.1 -0.021 91.5 -45.3 -81.7-173.7 12.2 16.5 33.6 24 25 A A E S- 0 0 21 27,-0.2 28,-1.1 1,-0.1 -1,-0.2 -0.118 70.4 -99.8 -53.3 147.5 10.3 13.5 35.0 25 26 A P E -c 52 0A 17 0, 0.0 71,-2.3 0, 0.0 2,-0.4 -0.457 31.3-166.7 -78.5 142.1 9.0 11.0 32.5 26 27 A L E -cd 53 96A 0 26,-2.7 28,-3.1 69,-0.2 2,-0.5 -0.993 8.1-154.0-124.6 119.7 5.4 10.8 31.3 27 28 A L E -cd 54 97A 1 69,-2.8 71,-3.3 -2,-0.4 2,-0.5 -0.852 10.4-163.5 -88.8 126.4 4.1 7.8 29.4 28 29 A M E - d 0 98A 0 26,-3.0 2,-0.5 -2,-0.5 71,-0.2 -0.970 1.9-161.4-112.1 124.2 1.1 8.7 27.1 29 30 A I E - d 0 99A 2 69,-3.0 71,-2.9 -2,-0.5 74,-0.2 -0.928 11.1-143.1-111.0 119.5 -0.9 5.8 25.9 30 31 A H - 0 0 0 -2,-0.5 6,-0.1 26,-0.5 3,-0.1 -0.057 18.8-108.6 -74.0 175.9 -3.2 6.4 22.9 31 32 A G > - 0 0 2 4,-0.2 3,-2.0 71,-0.2 2,-0.1 -0.211 51.6 -45.0-100.5-172.5 -6.6 4.9 22.2 32 33 A N T 3 S- 0 0 14 1,-0.3 -1,-0.2 68,-0.1 3,-0.1 -0.344 124.6 -4.2 -58.5 119.6 -8.3 2.4 20.0 33 34 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -2,-0.1 146,-0.2 0.668 115.0 101.6 69.2 21.0 -7.2 2.7 16.4 34 35 A S < - 0 0 6 -3,-2.0 28,-0.5 142,-0.1 2,-0.3 -0.120 57.7-142.4-107.1-154.9 -5.1 5.8 17.1 35 36 A S > - 0 0 3 26,-0.1 3,-1.9 -3,-0.1 -4,-0.2 -0.961 34.3 -94.8-164.1 167.1 -1.3 6.2 17.6 36 37 A G G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 21,-0.1 0.713 112.8 78.0 -60.4 -20.3 1.1 8.2 19.8 37 38 A A G > S+ 0 0 41 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.751 78.5 72.7 -58.5 -23.5 1.3 10.8 16.9 38 39 A I G < S+ 0 0 10 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.696 84.5 67.4 -65.1 -19.4 -2.1 12.0 18.3 39 40 A F G X> + 0 0 0 -3,-1.9 4,-2.9 1,-0.2 3,-1.0 0.150 60.9 125.1 -91.6 20.6 -0.2 13.5 21.2 40 41 A A H <> + 0 0 31 -3,-1.4 4,-2.7 1,-0.2 5,-0.3 0.850 67.5 58.8 -43.4 -44.1 1.6 16.1 19.1 41 42 A P H 3> S+ 0 0 44 0, 0.0 4,-0.7 0, 0.0 6,-0.3 0.891 114.9 35.6 -61.8 -34.5 0.3 19.0 21.2 42 43 A Q H <4 S+ 0 0 0 -3,-1.0 6,-2.4 2,-0.2 -2,-0.2 0.913 118.0 50.3 -81.7 -45.3 2.0 17.5 24.3 43 44 A L H < S+ 0 0 8 -4,-2.9 -23,-0.2 1,-0.2 -3,-0.2 0.900 123.6 30.5 -55.9 -44.0 5.1 16.1 22.6 44 45 A E H < S+ 0 0 137 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.529 115.7 66.0 -97.4 -10.9 5.8 19.4 20.8 45 46 A G S X S- 0 0 21 -4,-0.7 4,-1.7 -5,-0.3 5,-0.2 -0.013 106.9 -61.7-100.8-158.4 4.4 21.9 23.3 46 47 A E H > S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.803 127.7 56.7 -61.1 -31.2 5.1 23.1 26.8 47 48 A I H >> S+ 0 0 4 -6,-0.3 4,-2.9 1,-0.2 3,-0.6 0.982 112.0 40.5 -64.7 -53.5 4.5 19.6 28.4 48 49 A G H 34 S+ 0 0 2 -6,-2.4 -27,-1.0 1,-0.2 5,-0.3 0.703 108.9 61.2 -69.4 -21.5 7.2 17.9 26.2 49 50 A K H 3< S+ 0 0 136 -4,-1.7 -27,-0.4 -7,-0.2 -1,-0.2 0.857 118.2 27.8 -72.4 -30.9 9.6 20.8 26.5 50 51 A K H << S+ 0 0 118 -4,-1.3 -27,-2.3 -3,-0.6 -28,-0.3 0.872 122.3 44.1 -93.6 -48.2 9.8 20.3 30.3 51 52 A W E < S- c 0 23A 20 -4,-2.9 2,-1.4 -5,-0.2 -30,-0.6 -0.648 87.0-106.8-104.3 154.2 9.0 16.6 30.9 52 53 A R E - c 0 25A 87 -28,-1.1 -26,-2.7 -29,-0.7 2,-0.5 -0.688 42.5-164.2 -79.3 93.2 10.2 13.5 29.1 53 54 A V E - c 0 26A 0 -2,-1.4 -34,-2.4 -5,-0.3 2,-0.5 -0.738 6.0-167.9 -87.8 126.8 7.1 12.6 27.2 54 55 A I E +Bc 18 27A 0 -28,-3.1 -26,-3.0 -2,-0.5 -36,-0.2 -0.970 9.1 175.8-119.2 117.5 7.0 9.1 25.8 55 56 A A E -B 17 0A 0 -38,-3.0 -38,-1.0 -2,-0.5 -26,-0.1 -0.816 9.4-179.8-128.6 90.2 4.3 8.2 23.3 56 57 A P E -B 16 0A 2 0, 0.0 2,-0.5 0, 0.0 -26,-0.5 -0.333 28.5-116.7 -81.9 168.6 4.6 4.7 21.8 57 58 A D - 0 0 0 -42,-2.3 -42,-0.3 -22,-0.2 3,-0.1 -0.928 30.6-123.8-102.4 127.6 2.4 3.0 19.3 58 59 A L > - 0 0 2 -2,-0.5 3,-2.2 -27,-0.1 6,-0.3 -0.288 43.8 -81.0 -58.9 152.1 0.5 -0.0 20.6 59 60 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.271 123.4 24.4 -48.7 141.2 1.1 -3.3 18.6 60 61 A G T 3 S+ 0 0 0 5,-2.5 120,-2.4 1,-0.2 2,-0.3 0.469 112.7 93.3 78.3 1.6 -1.2 -3.2 15.6 61 62 A H S X S- 0 0 1 -3,-2.2 3,-1.9 4,-0.4 -1,-0.2 -0.896 84.6 -26.6-129.1 153.6 -1.3 0.6 15.6 62 63 A G T 3 S- 0 0 14 -28,-0.5 -27,-0.1 113,-0.4 -2,-0.0 -0.119 121.8 -17.4 52.3-129.6 0.6 3.5 14.1 63 64 A K T 3 S+ 0 0 139 -48,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.373 111.6 102.2 -94.5 1.9 4.2 2.8 13.1 64 65 A S S < S- 0 0 4 -3,-1.9 -50,-0.2 -6,-0.3 2,-0.1 -0.446 78.6-107.5 -74.6 158.7 4.4 -0.4 15.3 65 66 A T - 0 0 39 -52,-2.4 -5,-2.5 1,-0.1 -4,-0.4 -0.416 41.8 -88.1 -76.0 163.2 4.2 -3.7 13.6 66 67 A D - 0 0 63 -7,-0.2 -53,-0.3 -6,-0.2 -1,-0.1 -0.339 64.6 -78.9 -58.5 155.7 1.1 -5.9 14.0 67 68 A A - 0 0 8 1,-0.1 -55,-0.2 -55,-0.1 -1,-0.1 -0.327 27.3-136.7 -60.6 138.4 1.4 -8.2 17.1 68 69 A I S S+ 0 0 89 -57,-2.0 -1,-0.1 1,-0.3 -56,-0.1 0.907 104.8 21.9 -56.7 -39.5 3.6 -11.2 16.7 69 70 A D >> - 0 0 25 -58,-0.2 4,-2.4 1,-0.1 3,-1.4 -0.842 68.1-171.4-134.6 95.1 0.7 -13.0 18.5 70 71 A P H 3> S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.817 88.1 60.6 -53.9 -33.4 -2.7 -11.2 18.4 71 72 A D H 34 S+ 0 0 57 1,-0.2 7,-0.1 2,-0.2 318,-0.0 0.761 113.8 35.4 -68.5 -25.8 -4.1 -13.7 20.9 72 73 A R H <4 S+ 0 0 8 -3,-1.4 -1,-0.2 287,-0.1 3,-0.1 0.838 125.8 35.8 -88.9 -40.6 -1.5 -12.5 23.5 73 74 A S H < S+ 0 0 0 -4,-2.4 2,-1.8 1,-0.2 -2,-0.2 0.810 92.1 79.0 -93.7 -35.3 -1.3 -8.8 22.7 74 75 A Y S < S+ 0 0 0 -4,-1.9 2,-0.3 -5,-0.2 116,-0.2 -0.515 77.0 81.0 -87.7 76.1 -4.6 -7.4 21.6 75 76 A S S > S- 0 0 3 -2,-1.8 4,-2.9 1,-0.1 5,-0.3 -0.952 90.0-101.4-163.2 159.3 -6.4 -7.0 25.0 76 77 A M H > S+ 0 0 9 111,-0.3 4,-1.6 -2,-0.3 -1,-0.1 0.921 125.7 42.2 -55.4 -43.8 -6.3 -4.3 27.7 77 78 A E H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 113.0 52.9 -73.3 -33.4 -4.1 -6.5 29.8 78 79 A G H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.899 110.0 48.0 -66.8 -41.6 -1.9 -7.6 26.8 79 80 A Y H X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.869 108.9 54.4 -64.8 -37.5 -1.3 -4.0 25.9 80 81 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.905 108.0 50.3 -62.4 -42.5 -0.4 -3.2 29.5 81 82 A D H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.964 111.1 48.9 -56.2 -51.7 2.1 -6.0 29.3 82 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 112.2 46.7 -57.6 -44.2 3.6 -4.5 26.1 83 84 A M H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.878 110.7 53.4 -68.8 -34.3 3.8 -1.0 27.6 84 85 A T H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.924 109.4 48.3 -63.6 -42.4 5.4 -2.4 30.8 85 86 A E H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 110.0 53.1 -65.1 -40.1 8.0 -4.2 28.6 86 87 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.944 109.8 47.2 -58.1 -48.0 8.6 -0.9 26.7 87 88 A M H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.873 110.2 52.3 -65.6 -36.4 9.2 1.0 29.9 88 89 A Q H ><5S+ 0 0 87 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.920 109.3 49.9 -64.0 -41.9 11.6 -1.7 31.2 89 90 A Q H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 110.2 50.6 -64.4 -34.4 13.6 -1.5 28.0 90 91 A L T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.494 113.3-123.0 -80.1 -5.2 13.7 2.3 28.3 91 92 A G T < 5 + 0 0 68 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.754 67.9 132.0 71.8 24.8 14.9 1.9 31.9 92 93 A I < + 0 0 15 -5,-2.4 3,-0.2 -6,-0.1 -1,-0.2 -0.927 21.0 162.6-117.6 112.8 12.1 3.9 33.4 93 94 A A S S+ 0 0 57 -2,-0.6 23,-0.4 1,-0.1 -1,-0.1 0.592 71.4 49.7-100.8 -14.4 10.2 2.5 36.4 94 95 A D + 0 0 60 23,-0.1 -1,-0.1 21,-0.1 24,-0.1 -0.084 69.8 147.9-126.6 35.3 8.5 5.5 37.8 95 96 A A - 0 0 0 -3,-0.2 23,-1.9 22,-0.1 24,-0.6 -0.300 49.6-122.0 -63.4 149.8 6.7 7.3 35.0 96 97 A V E -de 26 119A 0 -71,-2.3 -69,-2.8 22,-0.2 2,-0.5 -0.772 36.1-141.1 -76.6 142.3 3.5 9.2 35.4 97 98 A V E -de 27 120A 0 22,-2.8 24,-2.9 -2,-0.4 2,-0.5 -0.942 19.9-171.4-115.8 130.7 1.0 7.5 33.1 98 99 A F E -de 28 121A 0 -71,-3.3 -69,-3.0 -2,-0.5 2,-0.5 -0.988 11.0-170.2-113.4 125.5 -1.6 9.3 31.0 99 100 A G E -de 29 122A 0 22,-2.9 24,-2.2 -2,-0.5 2,-0.7 -0.972 10.5-153.5-121.8 127.5 -4.0 7.0 29.2 100 101 A W E > - e 0 123A 5 -71,-2.9 3,-2.6 -2,-0.5 2,-0.3 -0.868 59.1 -58.3-101.4 110.7 -6.5 8.1 26.6 101 102 A S T >> S+ 0 0 21 22,-3.0 4,-1.9 -2,-0.7 3,-1.0 -0.395 139.6 17.2 65.6-116.5 -9.7 6.0 26.3 102 103 A L H 3> S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.908 129.5 58.4 -47.3 -40.7 -8.5 2.4 25.5 103 104 A G H <> S+ 0 0 0 -3,-2.6 4,-2.4 1,-0.2 -2,-0.3 0.828 101.5 52.6 -61.8 -31.0 -5.2 3.8 26.8 104 105 A G H <> S+ 0 0 0 -3,-1.0 4,-2.0 19,-0.3 -1,-0.2 0.889 108.3 49.8 -70.2 -40.5 -6.8 4.6 30.1 105 106 A H H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.894 111.2 50.5 -61.2 -40.4 -8.1 1.1 30.4 106 107 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.935 107.6 53.5 -61.9 -44.9 -4.5 -0.1 29.6 107 108 A G H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.876 106.3 52.5 -57.3 -39.5 -3.2 2.3 32.3 108 109 A I H >< S+ 0 0 2 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.923 109.3 49.0 -63.9 -43.2 -5.5 0.7 34.9 109 110 A E H 3X S+ 0 0 9 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.770 105.1 61.1 -65.8 -24.1 -4.2 -2.7 33.9 110 111 A M H 3X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.693 81.6 82.1 -75.2 -18.7 -0.7 -1.4 34.3 111 112 A I H << S+ 0 0 31 -3,-1.0 -1,-0.2 -4,-0.8 6,-0.2 0.909 96.9 41.4 -54.0 -42.6 -1.1 -0.5 38.0 112 113 A A H 4 S+ 0 0 21 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.798 120.9 43.2 -72.0 -30.4 -0.4 -4.2 39.0 113 114 A R H < S+ 0 0 6 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.603 117.9 41.6 -92.9 -15.5 2.4 -4.5 36.5 114 115 A Y >< + 0 0 11 -4,-2.0 3,-1.9 -3,-0.2 -1,-0.2 -0.657 66.7 172.2-136.4 68.6 4.2 -1.2 37.0 115 116 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.628 72.9 58.7 -68.8 -14.3 4.1 -0.7 40.8 116 117 A E T 3 S+ 0 0 124 -23,-0.4 -23,-0.1 3,-0.0 -5,-0.1 0.329 71.3 138.5 -94.4 7.7 6.4 2.4 40.9 117 118 A M < - 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