==== 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 HYDROLASE 18-JUN-09 3HWP . COMPND 2 MOLECULE: PHLG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR Y.-X.HE,L.HUANG,Y.XUE,X.FEI,Y.-B.TENG,C.-Z.ZHOU . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 70.1 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 . 122 21.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 4 2 5 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 2 4 2 4 2 0 2 0 0 2 2 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 0 0 2 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 4 A R 0 0 270 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.5 -15.8 -29.3 -6.6 2 5 A N + 0 0 105 2,-0.0 39,-2.3 38,-0.0 40,-0.4 -0.712 360.0 173.2 -84.5 102.3 -18.2 -28.8 -3.6 3 6 A X E -A 40 0A 65 -2,-1.1 35,-0.1 37,-0.2 0, 0.0 -0.694 10.3-166.6-102.4 158.5 -16.1 -29.2 -0.5 4 7 A T E -A 39 0A 7 35,-2.3 35,-2.8 -2,-0.3 2,-0.2 -0.994 25.5-107.8-147.6 141.3 -17.4 -28.5 3.0 5 8 A P E -A 38 0A 9 0, 0.0 33,-0.3 0, 0.0 2,-0.2 -0.527 35.1-114.5 -73.4 135.9 -15.6 -28.1 6.3 6 9 A F - 0 0 5 31,-2.9 31,-0.3 -2,-0.2 289,-0.1 -0.508 29.6-166.3 -65.8 138.7 -16.0 -30.9 8.8 7 10 A T + 0 0 1 -2,-0.2 2,-0.4 287,-0.1 -1,-0.1 0.530 56.9 65.0-111.1 -12.0 -17.9 -29.6 11.7 8 11 A Y + 0 0 17 329,-0.0 2,-0.3 290,-0.0 329,-0.1 -0.952 43.9 167.3-122.6 135.6 -17.5 -32.1 14.5 9 12 A F - 0 0 4 -2,-0.4 5,-0.2 288,-0.1 152,-0.0 -0.949 40.4-112.2-142.3 124.0 -14.4 -33.3 16.4 10 13 A S > - 0 0 5 -2,-0.3 4,-2.2 150,-0.1 3,-0.3 -0.051 31.6-106.9 -56.3 157.5 -14.8 -35.4 19.6 11 14 A L H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 120.5 49.7 -51.9 -48.9 -13.8 -33.8 22.9 12 15 A P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.865 110.8 51.6 -61.0 -34.5 -10.6 -35.9 23.2 13 16 A X H > S+ 0 0 12 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.838 106.1 53.2 -70.8 -34.3 -9.7 -35.0 19.7 14 17 A Q H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.900 110.2 48.8 -64.1 -40.3 -10.2 -31.2 20.4 15 18 A K H X S+ 0 0 91 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.924 109.0 52.0 -64.7 -43.3 -7.8 -31.6 23.3 16 19 A L H X S+ 0 0 12 -4,-2.2 4,-3.0 108,-0.2 5,-0.2 0.879 104.7 58.0 -59.0 -36.6 -5.3 -33.4 21.1 17 20 A F H X S+ 0 0 2 -4,-1.9 4,-2.7 107,-0.3 -1,-0.2 0.925 105.6 48.3 -58.6 -47.7 -5.5 -30.5 18.6 18 21 A L H X S+ 0 0 68 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.873 112.5 49.2 -61.5 -40.4 -4.4 -28.1 21.3 19 22 A R H X S+ 0 0 198 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 114.1 44.9 -62.1 -49.7 -1.5 -30.3 22.3 20 23 A N H X S+ 0 0 14 -4,-3.0 4,-2.3 103,-0.2 -2,-0.2 0.854 108.8 57.4 -64.4 -36.2 -0.4 -30.7 18.6 21 24 A Q H X S+ 0 0 85 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.882 109.4 44.9 -62.9 -40.2 -0.8 -27.0 18.0 22 25 A A H >< S+ 0 0 48 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.932 113.5 50.7 -67.5 -44.7 1.7 -26.2 20.8 23 26 A A H 3< S+ 0 0 55 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.850 112.4 44.2 -62.4 -37.7 4.1 -28.9 19.6 24 27 A V H >< S+ 0 0 5 -4,-2.3 3,-2.5 1,-0.2 -1,-0.2 0.615 83.7 101.5 -85.4 -13.3 4.2 -27.8 16.0 25 28 A R T << S+ 0 0 156 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.796 87.5 36.0 -43.7 -46.3 4.5 -24.1 16.7 26 29 A N T 3 S+ 0 0 143 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.168 90.9 115.0-102.0 19.9 8.3 -23.8 16.1 27 30 A K S X S- 0 0 57 -3,-2.5 3,-1.5 1,-0.1 4,-0.2 -0.563 74.9-120.3 -84.1 153.0 8.6 -26.3 13.2 28 31 A P T 3 S+ 0 0 90 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.759 115.1 46.5 -60.9 -27.6 9.6 -25.1 9.7 29 32 A Y T > S+ 0 0 3 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.048 72.8 119.8-106.5 21.5 6.3 -26.5 8.3 30 33 A A G X + 0 0 27 -3,-1.5 3,-2.2 1,-0.3 -1,-0.2 0.834 65.5 68.3 -56.3 -33.7 4.1 -25.0 11.0 31 34 A K G 3 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 93.5 59.9 -63.3 -15.0 2.2 -23.0 8.4 32 35 A Y G < S+ 0 0 11 -3,-2.1 2,-0.8 2,-0.0 -1,-0.3 0.526 78.7 98.6 -88.8 -7.5 0.9 -26.3 7.1 33 36 A F < + 0 0 24 -3,-2.2 2,-0.4 -4,-0.3 87,-0.1 -0.752 58.9 175.9 -82.4 111.6 -0.8 -27.1 10.4 34 37 A R - 0 0 96 -2,-0.8 -2,-0.0 86,-0.3 -3,-0.0 -0.934 36.2-152.6-129.3 141.9 -4.4 -26.1 9.8 35 38 A S S S+ 0 0 45 -2,-0.4 2,-0.6 88,-0.1 -1,-0.1 0.722 76.7 79.8 -85.9 -24.5 -7.6 -26.3 11.8 36 39 A E - 0 0 55 -31,-0.1 2,-0.6 238,-0.0 -29,-0.1 -0.763 57.6-172.7 -89.8 123.1 -10.1 -26.4 8.9 37 40 A X - 0 0 0 -2,-0.6 -31,-2.9 -31,-0.3 2,-0.3 -0.913 8.9-160.0-116.7 107.0 -10.5 -29.9 7.3 38 41 A R E -A 5 0A 104 -2,-0.6 239,-0.1 -33,-0.3 -35,-0.0 -0.665 10.7-179.8 -92.0 140.4 -12.6 -29.9 4.1 39 42 A V E -A 4 0A 0 -35,-2.8 -35,-2.3 -2,-0.3 2,-0.2 -0.877 40.8 -82.3-131.1 160.9 -14.3 -33.0 2.7 40 43 A P E > -A 3 0A 13 0, 0.0 4,-2.5 0, 0.0 5,-0.3 -0.488 31.4-141.7 -68.3 130.7 -16.5 -33.6 -0.4 41 44 A L H > S+ 0 0 19 -39,-2.3 4,-2.3 -2,-0.2 5,-0.2 0.917 102.7 51.9 -56.4 -45.1 -20.1 -32.7 0.4 42 45 A S H > S+ 0 0 53 -40,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.945 111.1 46.7 -56.1 -50.1 -21.2 -35.7 -1.7 43 46 A A H > S+ 0 0 3 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.907 113.0 46.7 -62.2 -46.3 -19.0 -38.1 0.2 44 47 A V H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.912 108.3 56.7 -66.9 -39.2 -19.8 -37.0 3.7 45 48 A R H >< S+ 0 0 117 -4,-2.3 3,-1.4 -5,-0.3 4,-0.2 0.849 99.2 61.4 -56.8 -36.3 -23.6 -37.0 2.9 46 49 A K H 3< S+ 0 0 94 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.677 103.6 49.0 -69.2 -18.7 -23.3 -40.7 1.9 47 50 A I T << S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.5 251,-0.2 -0.014 93.7 76.3-110.2 30.8 -22.2 -41.7 5.4 48 51 A Q S < S+ 0 0 15 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 0.421 86.1 59.4-113.0 -4.5 -24.9 -39.8 7.4 49 52 A Q S S- 0 0 78 1,-0.4 -1,-0.1 -3,-0.3 -2,-0.0 -0.244 111.5 -78.6-124.6 49.3 -27.8 -42.2 6.8 50 53 A G - 0 0 8 -3,-0.2 -1,-0.4 250,-0.0 30,-0.2 -0.068 66.5 -40.1 89.5 171.8 -26.7 -45.5 8.2 51 54 A P - 0 0 43 0, 0.0 30,-0.2 0, 0.0 3,-0.1 -0.208 68.4 -93.2 -66.2 158.8 -24.5 -48.4 7.1 52 55 A X - 0 0 35 28,-3.0 2,-0.3 1,-0.1 30,-0.2 -0.250 47.1 -89.4 -67.6 162.0 -24.4 -49.7 3.5 53 56 A A > - 0 0 47 1,-0.1 3,-2.6 28,-0.1 4,-0.4 -0.584 36.6-123.9 -69.4 133.9 -26.6 -52.6 2.4 54 57 A L G > S+ 0 0 85 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.815 108.1 67.0 -48.2 -35.1 -24.7 -55.8 2.9 55 58 A E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.685 100.8 48.0 -63.9 -19.0 -25.1 -56.6 -0.7 56 59 A D G < S+ 0 0 99 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.415 96.8 92.6-102.5 0.4 -22.8 -53.7 -1.7 57 60 A T < - 0 0 14 -3,-1.6 2,-0.3 -4,-0.4 23,-0.0 -0.324 63.0-138.2 -89.0 172.5 -20.0 -54.5 0.8 58 61 A L - 0 0 9 -2,-0.1 -2,-0.1 7,-0.0 25,-0.0 -0.949 5.0-147.7-127.0 151.1 -16.8 -56.6 0.4 59 62 A T - 0 0 31 -2,-0.3 6,-0.1 2,-0.1 172,-0.0 -0.563 38.7 -99.9-101.5 175.4 -15.1 -59.1 2.7 60 63 A P S S+ 0 0 0 0, 0.0 167,-0.0 0, 0.0 171,-0.0 0.407 81.2 129.3 -75.7 6.8 -11.3 -59.6 2.9 61 64 A S S > S- 0 0 26 1,-0.1 4,-2.6 4,-0.1 5,-0.3 -0.092 73.7-113.9 -62.3 158.7 -11.7 -62.7 0.7 62 65 A I H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 117,-0.2 0.929 117.5 51.5 -56.0 -47.7 -9.6 -63.2 -2.5 63 66 A E H > S+ 0 0 146 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.906 113.5 44.0 -55.6 -45.6 -12.7 -62.9 -4.7 64 67 A D H >4 S+ 0 0 20 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.941 112.4 48.0 -71.1 -47.5 -13.8 -59.6 -3.1 65 68 A I H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.845 107.7 57.3 -66.6 -30.6 -10.4 -57.8 -2.9 66 69 A N H >< S+ 0 0 23 -4,-1.8 3,-1.8 -5,-0.3 4,-0.3 0.677 86.3 77.8 -74.7 -13.2 -9.7 -58.6 -6.5 67 70 A R G X< S+ 0 0 83 -3,-1.2 3,-1.5 -4,-0.5 -1,-0.2 0.839 84.2 67.4 -60.0 -29.6 -13.0 -56.9 -7.6 68 71 A L G < S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.685 94.6 56.2 -63.7 -18.6 -10.9 -53.7 -7.1 69 72 A L G < S+ 0 0 4 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.499 74.8 121.0 -95.3 -3.6 -8.7 -54.7 -10.1 70 73 A E X - 0 0 93 -3,-1.5 3,-1.9 -4,-0.3 -3,-0.0 -0.366 66.0-132.8 -60.9 135.1 -11.6 -55.0 -12.7 71 74 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.838 106.5 48.5 -63.2 -31.0 -11.0 -52.6 -15.6 72 75 A D T 3 S+ 0 0 137 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 0.342 91.4 110.3 -89.4 8.3 -14.6 -51.4 -15.5 73 76 A F < + 0 0 58 -3,-1.9 2,-0.4 -6,-0.1 -5,-0.0 -0.712 35.8 169.1 -92.2 128.5 -14.4 -50.9 -11.7 74 77 A V - 0 0 99 -2,-0.5 19,-0.1 19,-0.0 -2,-0.0 -0.969 33.3-122.8-135.5 123.3 -14.5 -47.4 -10.2 75 78 A S - 0 0 10 -2,-0.4 2,-0.1 -7,-0.1 18,-0.1 -0.243 20.0-113.3 -69.1 146.3 -15.0 -47.2 -6.5 76 79 A E - 0 0 108 1,-0.1 -1,-0.1 16,-0.1 3,-0.1 -0.353 30.5-115.4 -64.4 160.1 -17.7 -45.3 -4.7 77 80 A E S S- 0 0 62 15,-0.2 16,-1.4 1,-0.1 2,-0.3 0.760 80.6 -14.0 -72.2 -31.0 -16.6 -42.3 -2.7 78 81 A S + 0 0 6 14,-0.3 14,-0.2 -36,-0.1 2,-0.2 -0.967 61.9 134.4-164.9 169.3 -17.6 -43.5 0.8 79 82 A G - 0 0 4 12,-0.3 12,-2.5 -2,-0.3 2,-0.3 -0.501 20.9-156.8 144.5 149.9 -19.6 -45.9 2.9 80 83 A Y E +B 90 0B 1 -30,-0.2 -28,-3.0 10,-0.2 2,-0.3 -0.939 12.7 168.0-146.0 165.8 -19.2 -48.2 5.9 81 84 A A E -B 89 0B 2 8,-2.0 8,-2.2 -2,-0.3 2,-0.5 -0.985 35.2-111.5-169.1 162.0 -20.8 -51.3 7.4 82 85 A L E -B 88 0B 35 -2,-0.3 6,-0.2 6,-0.2 176,-0.1 -0.943 36.1-162.1-102.4 127.9 -20.7 -54.1 10.0 83 86 A L E > -B 87 0B 3 4,-3.2 4,-2.1 -2,-0.5 -2,-0.0 -0.791 32.0 -94.5-105.2 150.9 -20.0 -57.5 8.4 84 87 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.420 107.0 65.3 -56.6 138.6 -20.6 -60.9 10.0 85 88 A G T 4 S- 0 0 39 146,-0.1 2,-0.1 1,-0.1 144,-0.1 -0.105 126.4 -94.3 166.9 -59.9 -17.2 -61.8 11.5 86 89 A P T 4 S+ 0 0 35 0, 0.0 144,-2.4 0, 0.0 2,-0.3 0.635 80.7 151.6 -83.9 155.7 -17.7 -59.5 13.2 87 90 A X E < -BC 83 229B 0 -4,-2.1 -4,-3.2 142,-0.2 142,-0.3 -0.980 42.3-130.6-155.1 130.6 -15.8 -56.9 11.2 88 91 A A E -BC 82 228B 3 140,-3.3 140,-2.1 -2,-0.3 2,-0.4 -0.598 30.1-162.5 -76.3 142.5 -15.9 -53.2 10.6 89 92 A Y E +BC 81 227B 0 -8,-2.2 -8,-2.0 -2,-0.2 2,-0.4 -0.995 13.0 178.2-133.5 135.3 -15.8 -52.2 6.9 90 93 A V E -BC 80 226B 2 136,-2.1 136,-2.7 -2,-0.4 2,-0.4 -0.999 4.3-173.0-136.9 134.3 -15.0 -49.0 5.1 91 94 A Q E + C 0 225B 7 -12,-2.5 -12,-0.3 -2,-0.4 2,-0.3 -0.958 18.8 151.3-119.7 144.3 -14.9 -48.1 1.4 92 95 A S E - C 0 224B 3 132,-1.9 132,-2.5 -2,-0.4 2,-0.3 -0.992 30.5-157.2-164.2 162.9 -13.6 -44.9 -0.1 93 96 A R E - C 0 223B 64 -16,-1.4 2,-0.4 -2,-0.3 130,-0.2 -0.911 18.6-168.4-147.3 117.3 -12.0 -43.1 -3.1 94 97 A K E - C 0 222B 6 128,-2.3 128,-2.6 -2,-0.3 2,-0.4 -0.855 12.9-139.6-110.5 143.0 -10.3 -39.8 -2.6 95 98 A F E - C 0 221B 64 -2,-0.4 126,-0.2 126,-0.2 181,-0.1 -0.827 7.4-162.1-100.2 139.7 -9.0 -37.3 -5.3 96 99 A F E > - C 0 220B 0 124,-3.3 3,-1.8 -2,-0.4 124,-1.3 -0.860 17.1-145.5-119.7 93.8 -5.7 -35.5 -5.0 97 100 A P E 3 S- C 0 219B 74 0, 0.0 122,-0.3 0, 0.0 3,-0.1 -0.364 80.5 -0.2 -67.0 132.5 -5.7 -32.6 -7.3 98 101 A G T 3 S+ 0 0 40 120,-3.2 2,-0.3 1,-0.2 121,-0.2 0.583 101.3 132.0 71.1 11.5 -2.2 -31.9 -8.8 99 102 A C < - 0 0 2 -3,-1.8 2,-0.2 119,-0.2 -1,-0.2 -0.760 40.1-157.4-101.5 140.6 -0.7 -34.8 -6.9 100 103 A T > - 0 0 51 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.687 31.9-110.5-108.8 166.2 1.6 -37.4 -8.5 101 104 A A H > S+ 0 0 7 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 119.2 55.5 -58.7 -39.3 2.5 -40.9 -7.4 102 105 A Q H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 106.8 48.5 -63.8 -40.2 6.0 -39.8 -6.6 103 106 A X H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 111.5 50.5 -65.0 -39.0 4.7 -37.0 -4.2 104 107 A F H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.908 111.8 47.1 -68.5 -41.0 2.4 -39.5 -2.5 105 108 A K H X S+ 0 0 53 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.919 108.1 56.4 -64.0 -44.0 5.3 -41.9 -2.0 106 109 A W H >X S+ 0 0 40 -4,-2.3 4,-2.8 1,-0.2 3,-0.7 0.906 101.1 59.0 -52.5 -44.5 7.5 -39.1 -0.8 107 110 A W H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.889 104.2 49.2 -52.7 -44.4 4.8 -38.4 1.9 108 111 A F H 3< S+ 0 0 11 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.727 115.3 44.4 -73.9 -20.4 5.2 -41.9 3.4 109 112 A I H << S+ 0 0 34 -4,-1.2 4,-0.2 -3,-0.7 -2,-0.2 0.846 119.3 42.0 -81.7 -37.2 9.0 -41.6 3.5 110 113 A W H >< S+ 0 0 27 -4,-2.8 3,-1.3 -5,-0.2 4,-0.3 0.887 103.5 57.2 -84.4 -44.4 9.0 -38.1 4.9 111 114 A H G >< S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.3 7,-0.5 0.824 95.0 63.5 -67.2 -34.0 6.3 -37.8 7.6 112 115 A P G 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 19,-0.2 0.694 85.3 78.6 -64.7 -16.7 7.5 -40.7 9.9 113 116 A A G < S+ 0 0 61 -3,-1.3 2,-0.4 -4,-0.2 -2,-0.2 0.805 107.3 18.6 -60.4 -33.1 10.8 -38.7 10.6 114 117 A E X> - 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