==== 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 14-NOV-06 2NW0 . COMPND 2 MOLECULE: PLYB; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED PHAGE; . AUTHOR C.J.PORTER,A.M.BUCKLE,J.C.WHISSTOCK . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.5 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 . 4 1.1 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 . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 4 0 0 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 2 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 . 0 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 2 A G 0 0 58 0, 0.0 2,-0.3 0, 0.0 21,-0.3 0.000 360.0 360.0 360.0 163.7 11.0 27.5 9.7 2 3 A Y E -a 22 0A 60 19,-2.6 21,-3.0 171,-0.0 22,-1.3 -0.815 360.0-134.5-112.4 156.5 14.0 29.8 10.3 3 4 A I E -aB 24 172A 7 169,-0.9 169,-2.2 -2,-0.3 2,-0.4 -0.980 39.2-176.5-106.9 114.9 17.2 30.3 8.4 4 5 A V E -aB 25 171A 0 20,-2.2 22,-2.3 -2,-0.6 2,-0.4 -0.942 25.8-147.9-122.9 134.7 19.8 30.3 11.1 5 6 A D E -aB 26 170A 5 165,-1.2 165,-0.7 -2,-0.4 2,-0.3 -0.854 29.9-173.8 -98.2 137.0 23.6 30.9 11.2 6 7 A M E +a 27 0A 0 20,-2.4 22,-2.2 -2,-0.4 2,-0.3 -0.868 17.8 160.0-133.9 159.9 25.3 28.9 13.8 7 8 A S > - 0 0 9 -2,-0.3 3,-2.5 20,-0.2 4,-0.1 -0.887 64.6 -65.0-157.8-174.3 28.7 28.4 15.5 8 9 A K G > S+ 0 0 70 1,-0.3 3,-1.9 -2,-0.3 19,-0.0 0.747 122.4 75.5 -57.9 -19.5 30.2 27.0 18.7 9 10 A W G 3 S+ 0 0 189 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.663 83.1 67.0 -67.4 -15.5 28.4 29.9 20.4 10 11 A N G < S- 0 0 25 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.370 89.7-161.8 -86.5 5.6 25.2 27.9 19.9 11 12 A G < - 0 0 36 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.0 -0.270 52.4 -16.2 62.1-129.3 26.4 25.2 22.3 12 13 A S S S- 0 0 123 154,-0.1 -1,-0.2 -2,-0.0 -4,-0.0 -0.813 72.0-159.4-120.0 85.9 24.7 21.8 22.2 13 14 A P - 0 0 19 0, 0.0 2,-1.1 0, 0.0 153,-0.2 -0.174 25.3-119.8 -63.8 159.5 21.3 22.1 20.3 14 15 A D >> - 0 0 87 151,-2.6 4,-2.9 1,-0.2 3,-0.8 -0.835 34.3-171.4 -93.7 90.7 18.5 19.5 20.7 15 16 A W H 3> S+ 0 0 21 -2,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.780 77.5 58.5 -66.0 -28.0 18.6 18.7 17.0 16 17 A D H 3> S+ 0 0 108 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.872 114.7 39.5 -66.1 -36.4 15.5 16.5 17.1 17 18 A T H X4 S+ 0 0 63 -3,-0.8 3,-0.6 2,-0.2 4,-0.3 0.896 114.4 52.4 -74.1 -43.3 13.6 19.6 18.3 18 19 A A H >X S+ 0 0 0 -4,-2.9 3,-1.8 147,-0.2 4,-0.8 0.817 93.9 76.0 -64.3 -30.0 15.5 22.0 16.1 19 20 A K H >< S+ 0 0 103 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.891 94.9 46.6 -45.9 -52.2 14.6 19.8 13.0 20 21 A G T << S+ 0 0 67 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.560 114.1 51.1 -72.7 -8.7 11.0 21.1 12.8 21 22 A Q T <4 S+ 0 0 60 -3,-1.8 -19,-2.6 -4,-0.3 2,-0.5 0.520 93.7 86.3 -99.3 -11.7 12.2 24.7 13.2 22 23 A L E << +a 2 0A 14 -3,-1.1 -19,-0.2 -4,-0.8 3,-0.1 -0.864 32.8 168.6-112.7 121.2 14.9 24.9 10.5 23 24 A D E S- 0 0 57 -21,-3.0 2,-0.3 -2,-0.5 -20,-0.2 0.778 83.3 -14.8 -80.4 -37.2 14.6 25.7 6.8 24 25 A L E -a 3 0A 0 -22,-1.3 -20,-2.2 28,-0.1 -1,-0.4 -0.942 59.1-149.6-169.7 142.0 18.4 26.0 6.5 25 26 A V E -ac 4 54A 0 28,-2.1 30,-2.7 -2,-0.3 2,-0.5 -0.931 1.2-161.5-119.5 142.8 21.5 26.4 8.6 26 27 A I E -ac 5 55A 0 -22,-2.3 -20,-2.4 -2,-0.4 2,-0.3 -0.956 22.2-164.1-121.8 109.3 24.8 28.1 7.8 27 28 A A E -ac 6 56A 1 28,-2.2 30,-2.5 -2,-0.5 2,-0.3 -0.753 19.5-113.8-103.1 146.7 27.4 26.8 10.2 28 29 A R E + c 0 57A 22 -22,-2.2 12,-0.2 -2,-0.3 30,-0.2 -0.567 26.8 179.5 -81.7 130.2 30.8 28.4 11.0 29 30 A V E - 0 0 2 28,-3.0 8,-2.2 -2,-0.3 2,-0.3 0.821 64.1 -16.7 -92.2 -43.7 33.9 26.5 9.9 30 31 A Q E -Dc 36 58A 0 27,-0.6 29,-2.3 6,-0.2 2,-0.5 -0.984 43.6-131.3-156.3 159.2 36.6 28.8 11.1 31 32 A D E S- c 0 59A 38 4,-2.1 3,-0.4 -2,-0.3 4,-0.3 -0.924 87.8 -39.4-113.7 98.5 37.5 32.4 12.2 32 33 A G S > S- 0 0 3 27,-2.9 3,-0.7 -2,-0.5 -1,-0.3 -0.110 96.4 -56.7 67.9-175.7 40.6 33.0 10.0 33 34 A S T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.636 132.5 49.2 -67.8 -20.4 43.2 30.3 9.2 34 35 A N T 3 S+ 0 0 161 -3,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.289 94.1 68.8-120.3 14.3 44.0 29.7 12.8 35 36 A Y < - 0 0 82 -3,-0.7 -4,-2.1 -4,-0.3 2,-0.5 -0.926 60.2-165.4-129.7 111.1 40.8 29.2 14.7 36 37 A V B -D 30 0A 76 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.812 28.7-119.2 -92.1 127.5 38.9 26.0 13.8 37 38 A D - 0 0 5 -8,-2.2 4,-0.4 -2,-0.5 3,-0.4 -0.489 22.3-149.9 -67.5 121.5 35.3 26.1 15.1 38 39 A P S S+ 0 0 85 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.578 87.9 44.7 -77.0 -7.7 35.1 23.1 17.5 39 40 A V S > S+ 0 0 26 -11,-0.1 4,-3.0 2,-0.1 3,-0.3 0.599 85.0 93.5-106.3 -12.8 31.4 22.2 17.0 40 41 A Y H > S+ 0 0 8 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.884 86.7 45.8 -48.1 -54.5 31.2 22.4 13.2 41 42 A K H > S+ 0 0 154 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.896 114.7 49.2 -63.0 -36.8 31.8 18.7 12.5 42 43 A D H > S+ 0 0 117 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 49.3 -64.8 -43.7 29.4 17.6 15.2 43 44 A Y H X S+ 0 0 7 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.940 111.0 49.2 -60.3 -48.2 26.7 20.0 13.9 44 45 A V H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.917 109.9 51.5 -60.5 -43.8 27.1 18.7 10.4 45 46 A A H X S+ 0 0 61 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.930 112.8 46.7 -54.8 -46.5 26.9 15.1 11.5 46 47 A A H X S+ 0 0 15 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.861 113.6 47.0 -66.1 -39.5 23.7 15.9 13.4 47 48 A M H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.7 0.880 110.7 51.6 -74.1 -38.3 22.1 17.8 10.5 48 49 A K H ><5S+ 0 0 76 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.928 108.2 51.9 -62.1 -42.9 23.0 15.1 7.9 49 50 A A H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.834 118.5 37.9 -61.3 -31.0 21.4 12.4 10.1 50 51 A R H 3<5S- 0 0 63 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.347 109.9-118.5-103.0 1.2 18.3 14.5 10.3 51 52 A N T <<5 + 0 0 131 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.886 54.0 161.2 58.3 43.2 18.3 15.9 6.7 52 53 A I < - 0 0 6 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.1 -0.850 41.9-121.9 -91.9 119.8 18.6 19.5 7.9 53 54 A P + 0 0 20 0, 0.0 -28,-2.1 0, 0.0 2,-0.3 -0.411 40.6 176.9 -66.7 137.9 19.8 21.5 4.9 54 55 A F E -c 25 0A 10 28,-0.3 30,-2.7 -30,-0.2 2,-0.2 -0.999 24.6-175.2-144.5 150.1 23.1 23.4 5.6 55 56 A G E -c 26 0A 0 -30,-2.7 -28,-2.2 -2,-0.3 2,-0.3 -0.666 27.9-121.2-121.5-174.8 25.8 25.6 4.1 56 57 A S E -ce 27 86A 0 29,-2.2 31,-2.7 -30,-0.3 2,-0.3 -0.952 18.4-166.6-134.0 148.5 29.0 26.8 5.6 57 58 A Y E -ce 28 87A 22 -30,-2.5 -28,-3.0 -2,-0.3 -27,-0.6 -0.944 4.7-160.0-131.1 159.7 30.7 30.1 6.5 58 59 A A E -ce 30 88A 0 29,-2.2 31,-2.6 -2,-0.3 2,-0.5 -1.000 22.5-127.3-134.1 137.7 34.1 31.4 7.5 59 60 A F E -ce 31 89A 29 -29,-2.3 -27,-2.9 -2,-0.4 2,-0.3 -0.716 35.5-130.6 -79.5 128.6 35.0 34.7 9.2 60 61 A C + 0 0 2 29,-2.9 31,-0.4 -2,-0.5 32,-0.3 -0.655 39.3 161.7 -91.0 138.9 37.7 36.3 7.0 61 62 A R + 0 0 103 -2,-0.3 -1,-0.1 29,-0.1 29,-0.1 0.087 25.7 151.0-136.0 17.7 41.0 37.6 8.4 62 63 A F - 0 0 0 1,-0.1 32,-0.1 6,-0.1 3,-0.1 -0.180 29.1-169.2 -67.9 146.3 43.1 37.8 5.2 63 64 A V + 0 0 91 1,-0.2 2,-0.3 38,-0.1 33,-0.2 0.391 69.7 9.8-115.1 -0.8 45.9 40.4 4.8 64 65 A S S > S- 0 0 46 1,-0.1 4,-2.4 31,-0.1 -1,-0.2 -0.968 81.1 -95.5-165.5 172.3 46.7 40.0 1.2 65 66 A V H > S+ 0 0 59 -2,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.937 124.0 44.0 -63.7 -47.0 45.5 38.3 -2.0 66 67 A E H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 113.0 51.8 -71.2 -32.9 47.8 35.3 -1.6 67 68 A D H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 105.2 57.0 -67.8 -36.2 46.9 35.0 2.1 68 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.907 103.7 53.9 -59.9 -37.5 43.2 35.1 1.1 69 70 A K H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.932 108.5 47.9 -65.2 -40.4 43.8 32.0 -1.1 70 71 A V H X S+ 0 0 78 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.944 111.5 50.3 -63.6 -45.3 45.3 30.1 1.8 71 72 A E H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 110.8 49.5 -61.9 -39.7 42.5 31.0 4.1 72 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.880 109.0 51.7 -66.4 -39.2 39.9 29.9 1.5 73 74 A R H X S+ 0 0 131 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.903 109.6 50.2 -66.6 -39.1 41.7 26.6 1.0 74 75 A D H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.930 111.0 49.7 -59.6 -45.8 41.6 26.0 4.8 75 76 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.951 112.5 46.6 -56.8 -51.7 37.9 26.8 4.8 76 77 A W H < S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.932 114.8 46.2 -59.0 -48.0 37.2 24.4 1.9 77 78 A N H < S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 117.5 42.2 -67.7 -36.2 39.3 21.5 3.5 78 79 A R H < S+ 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.693 103.6 82.8 -80.0 -22.8 37.8 21.9 7.0 79 80 A G S < S- 0 0 4 -4,-1.8 2,-0.3 -5,-0.2 -51,-0.0 -0.451 91.0 -98.5 -84.8 156.6 34.2 22.4 5.7 80 81 A D > - 0 0 39 -2,-0.1 3,-2.1 1,-0.1 -1,-0.1 -0.590 20.5-138.4 -79.4 135.5 31.9 19.6 4.7 81 82 A K T 3 S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.632 101.1 65.7 -70.5 -12.3 31.7 18.8 1.0 82 83 A D T 3 S+ 0 0 104 -27,-0.0 -1,-0.3 2,-0.0 -28,-0.3 0.439 72.4 130.6 -86.8 0.3 27.9 18.3 1.3 83 84 A S < - 0 0 12 -3,-2.1 -28,-0.3 1,-0.2 3,-0.1 -0.317 59.1-141.9 -49.9 133.7 27.6 22.0 2.1 84 85 A L S S- 0 0 55 -30,-2.7 2,-0.3 1,-0.2 -29,-0.2 0.717 78.5 -14.3 -71.7 -23.7 24.9 23.5 -0.2 85 86 A F - 0 0 0 -31,-0.2 -29,-2.2 30,-0.1 2,-0.4 -0.950 65.5-122.6-169.5 172.7 27.1 26.7 -0.5 86 87 A W E -ef 56 117A 7 30,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.985 21.3-153.5-135.3 131.1 30.1 28.5 1.1 87 88 A V E -ef 57 118A 0 -31,-2.7 -29,-2.2 -2,-0.4 2,-0.6 -0.930 10.0-149.6-120.0 129.1 30.1 32.0 2.5 88 89 A A E -ef 58 119A 0 30,-2.6 32,-2.8 -2,-0.5 2,-0.7 -0.849 17.2-156.7 -85.4 121.0 32.9 34.5 2.9 89 90 A D E +ef 59 120A 11 -31,-2.6 -29,-2.9 -2,-0.6 2,-0.6 -0.888 15.5 179.4-106.7 103.7 32.1 36.6 6.0 90 91 A V E + f 0 121A 1 30,-2.6 32,-2.1 -2,-0.7 35,-0.1 -0.923 25.0 133.7-112.6 112.5 33.9 39.9 5.7 91 92 A E + 0 0 67 -2,-0.6 2,-0.4 -31,-0.4 -1,-0.1 0.559 56.8 62.3-133.2 -19.2 33.4 42.4 8.5 92 93 A V S S- 0 0 63 -32,-0.3 2,-1.8 30,-0.0 -1,-0.2 -0.908 79.7-120.1-119.5 140.9 36.9 43.8 9.4 93 94 A T + 0 0 76 -2,-0.4 3,-0.1 1,-0.2 -32,-0.0 -0.607 46.2 159.1 -79.8 87.1 39.3 45.7 7.3 94 95 A T + 0 0 34 -2,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.621 69.5 18.0 -90.3 -15.5 42.1 43.2 7.5 95 96 A M S S- 0 0 30 -3,-0.2 3,-0.3 1,-0.1 -1,-0.2 -0.964 82.4-117.2-144.4 157.1 43.9 44.5 4.3 96 97 A S S S+ 0 0 124 -2,-0.3 2,-1.8 1,-0.3 3,-0.2 0.948 107.1 53.1 -61.6 -49.7 43.4 47.8 2.6 97 98 A D > + 0 0 84 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 -0.560 65.8 166.6 -91.7 78.5 42.1 46.5 -0.7 98 99 A M H > + 0 0 6 -2,-1.8 4,-2.8 -3,-0.3 5,-0.2 0.791 69.7 59.2 -65.8 -29.9 39.3 44.4 0.6 99 100 A R H > S+ 0 0 80 29,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 107.8 46.4 -65.1 -43.8 37.6 43.9 -2.7 100 101 A A H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 115.5 45.3 -64.0 -43.3 40.7 42.3 -4.2 101 102 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.939 114.0 49.1 -65.4 -45.0 41.2 40.0 -1.1 102 103 A T H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.930 111.4 48.4 -62.3 -45.0 37.6 39.0 -1.0 103 104 A Q H X S+ 0 0 20 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.887 110.9 51.3 -64.0 -35.6 37.4 38.2 -4.7 104 105 A A H X S+ 0 0 13 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.908 109.7 50.0 -65.9 -42.0 40.6 36.1 -4.4 105 106 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.965 114.8 44.3 -56.2 -53.9 39.1 34.2 -1.4 106 107 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.933 111.4 52.6 -57.8 -49.3 35.9 33.5 -3.4 107 108 A D H X S+ 0 0 78 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.850 106.1 53.7 -59.8 -36.1 37.8 32.6 -6.6 108 109 A E H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 106.5 52.9 -65.4 -40.2 39.9 30.0 -4.7 109 110 A L H X>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 4,-0.9 0.953 110.8 46.9 -57.0 -49.3 36.7 28.4 -3.4 110 111 A Y H ><5S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.925 110.8 51.7 -59.4 -44.0 35.5 28.1 -6.9 111 112 A R H 3<5S+ 0 0 213 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.863 107.2 54.1 -60.4 -35.5 38.8 26.7 -8.2 112 113 A L H 3<5S- 0 0 48 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.652 133.0 -87.4 -73.9 -16.8 38.7 24.1 -5.4 113 114 A G T <<5S+ 0 0 43 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.388 73.7 149.9 125.9 -4.1 35.3 22.9 -6.5 114 115 A A < - 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