==== 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 11-APR-09 3H17 . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 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 . 1 0.3 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 0 0 0 0 2 0 1 0 1 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 A 0 0 139 0, 0.0 259,-0.0 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0-172.1 -6.9 3.4 -22.6 2 3 A G - 0 0 22 259,-0.1 4,-0.4 0, 0.0 0, 0.0 -0.840 360.0-134.8-156.8 163.5 -10.6 3.6 -21.9 3 4 A P S > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.647 87.7 69.7-104.1 -15.0 -13.0 5.9 -23.8 4 5 A E H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.938 104.1 44.2 -70.0 -39.5 -15.2 7.6 -21.3 5 6 A I H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.745 109.4 59.0 -71.0 -25.7 -12.5 9.7 -19.8 6 7 A V H > S+ 0 0 89 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.951 108.9 42.7 -63.4 -51.4 -11.3 10.4 -23.3 7 8 A K H X S+ 0 0 159 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.892 119.6 47.1 -59.4 -34.4 -14.7 12.0 -24.1 8 9 A L H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.797 106.3 52.1 -86.0 -33.0 -14.7 13.6 -20.8 9 10 A K H X S+ 0 0 24 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.917 110.9 51.5 -62.2 -39.3 -11.2 15.0 -20.8 10 11 A K H X S+ 0 0 139 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 110.6 49.4 -60.8 -45.8 -12.1 16.6 -24.2 11 12 A I H X S+ 0 0 68 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.893 112.8 45.5 -58.2 -43.4 -15.2 18.0 -22.6 12 13 A L H >X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.940 109.1 55.5 -77.1 -51.1 -13.3 19.5 -19.7 13 14 A R H 3< S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.916 108.1 49.2 -31.4 -56.9 -10.6 20.9 -21.8 14 15 A E H 3< S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.799 116.0 43.0 -67.3 -23.3 -13.2 22.9 -23.9 15 16 A K H << S+ 0 0 151 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.658 90.0 96.9 -94.6 -25.4 -14.9 24.3 -20.7 16 17 A A S < S- 0 0 57 -4,-2.1 -3,-0.0 -3,-0.2 0, 0.0 -0.201 79.0-115.3 -56.0 158.3 -11.8 25.3 -18.6 17 18 A V - 0 0 80 1,-0.3 3,-0.1 4,-0.1 -1,-0.1 -0.220 48.4 -78.4 -79.1 179.6 -10.8 29.0 -18.8 18 19 A P > - 0 0 88 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.216 63.6 -71.9 -54.3 172.4 -7.3 29.6 -20.3 19 20 A P T 3 S- 0 0 134 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.592 117.2 -2.2 -42.7 111.1 -4.0 29.1 -18.3 20 21 A G T 3 S+ 0 0 83 -2,-0.3 2,-0.2 1,-0.2 0, 0.0 0.728 81.3 152.0 58.4 33.8 -3.8 31.9 -15.8 21 22 A T < - 0 0 73 -3,-0.7 2,-0.8 1,-0.0 -1,-0.2 -0.588 50.2-120.2 -78.8 160.1 -6.9 33.9 -16.6 22 23 A E - 0 0 151 -2,-0.2 -1,-0.0 172,-0.0 0, 0.0 -0.818 29.4-163.8-120.0 93.7 -7.9 35.5 -13.3 23 24 A V - 0 0 35 -2,-0.8 5,-0.1 1,-0.1 -3,-0.0 -0.659 18.6-120.9 -92.1 126.6 -11.3 34.5 -12.2 24 25 A P > - 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.064 24.7-118.6 -49.6 156.1 -13.2 36.5 -9.4 25 26 A L H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.862 111.4 44.4 -71.8 -40.0 -14.2 34.6 -6.4 26 27 A D H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.870 112.6 55.3 -73.9 -26.9 -18.0 34.9 -6.6 27 28 A V H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.947 109.9 45.1 -67.2 -43.5 -17.7 34.1 -10.3 28 29 A M H X S+ 0 0 43 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.913 113.0 51.4 -58.7 -44.1 -15.8 30.9 -9.4 29 30 A R H X S+ 0 0 55 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.815 111.9 44.7 -62.2 -39.0 -18.4 30.0 -6.6 30 31 A K H X S+ 0 0 122 -4,-2.0 4,-5.1 2,-0.2 5,-0.3 0.887 107.1 61.1 -79.3 -40.9 -21.5 30.4 -8.7 31 32 A G H X S+ 0 0 16 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.942 107.6 43.9 -37.2 -60.9 -19.8 28.5 -11.5 32 33 A M H < S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.8 47.7 -64.5 -35.5 -19.6 25.6 -9.2 33 34 A E H >< S+ 0 0 71 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.932 109.9 53.6 -71.6 -44.7 -23.2 26.0 -8.0 34 35 A K H 3< S+ 0 0 164 -4,-5.1 -2,-0.2 1,-0.3 -1,-0.2 0.924 115.8 36.1 -65.8 -32.7 -24.5 26.4 -11.4 35 36 A V T 3< S+ 0 0 81 -4,-2.5 -1,-0.3 -5,-0.3 2,-0.2 0.292 85.3 129.5-104.3 22.1 -23.0 23.2 -12.8 36 37 A A < - 0 0 27 -3,-1.4 2,-0.2 -4,-0.2 48,-0.1 -0.478 63.3-102.0 -77.4 138.0 -23.3 20.9 -9.8 37 38 A F - 0 0 76 47,-0.3 50,-0.5 -2,-0.2 2,-0.4 -0.346 26.4-119.4 -57.9 127.5 -24.9 17.5 -10.3 38 39 A K - 0 0 203 -2,-0.2 3,-0.1 48,-0.1 -1,-0.1 -0.514 37.4-116.1 -55.4 116.1 -28.5 16.8 -9.2 39 40 A A - 0 0 20 -2,-0.4 48,-0.1 1,-0.1 -1,-0.1 -0.226 42.1 -87.2 -49.6 144.0 -28.4 14.0 -6.5 40 41 A A > - 0 0 35 47,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.239 37.4-118.3 -60.1 148.1 -30.1 10.8 -7.6 41 42 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.716 109.3 64.1 -62.9 -19.6 -33.8 10.9 -6.8 42 43 A D T 3 S+ 0 0 87 2,-0.1 2,-0.3 19,-0.0 -1,-0.2 0.446 85.5 94.2 -87.6 2.0 -33.6 7.9 -4.4 43 44 A I < - 0 0 18 -3,-1.7 2,-0.4 17,-0.1 17,-0.3 -0.723 63.8-152.2 -90.4 131.5 -31.3 9.9 -2.0 44 45 A Q E -A 59 0A 122 15,-4.0 15,-3.1 -2,-0.3 2,-0.2 -0.885 7.3-164.0-115.1 152.1 -32.8 11.7 0.8 45 46 A V E -A 58 0A 56 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.704 7.9-173.9-119.8 160.3 -31.6 14.7 2.6 46 47 A E E -A 57 0A 90 11,-0.9 11,-1.8 -2,-0.2 2,-0.1 -0.796 24.6-131.2-158.4 116.5 -32.4 16.4 5.9 47 48 A Q E +A 56 0A 151 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.419 32.6 164.3 -77.7 147.4 -31.0 19.7 6.9 48 49 A V E -A 55 0A 34 7,-2.0 7,-1.7 -2,-0.1 2,-0.4 -0.973 33.4-125.7-143.4 156.3 -29.4 20.1 10.3 49 50 A T E -A 54 0A 108 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.904 27.7-176.4-102.9 145.3 -27.1 22.7 11.8 50 51 A V E > -A 53 0A 1 3,-2.8 3,-2.8 -2,-0.4 73,-0.1 -0.974 66.9 -13.2-141.7 122.6 -23.9 21.4 13.4 51 52 A A T 3 S- 0 0 43 -2,-0.3 -1,-0.1 1,-0.3 72,-0.1 0.944 130.5 -53.2 48.7 50.5 -21.2 23.5 15.4 52 53 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.474 118.7 115.4 66.3 2.0 -22.9 26.6 14.0 53 54 A C E < -A 50 0A 10 -3,-2.8 -3,-2.8 66,-0.1 -1,-0.2 -0.837 68.9-117.8-100.0 142.6 -22.6 25.2 10.4 54 55 A A E +A 49 0A 50 -2,-0.4 50,-2.4 50,-0.3 2,-0.3 -0.417 45.1 163.7 -65.1 158.1 -25.4 24.3 8.1 55 56 A A E -AB 48 103A 2 -7,-1.7 -7,-2.0 48,-0.2 2,-0.3 -0.917 29.8-137.6-164.2 167.0 -25.3 20.6 7.0 56 57 A E E -AB 47 102A 12 46,-1.1 46,-3.6 -2,-0.3 2,-0.6 -0.959 16.8-135.3-137.5 141.4 -27.4 17.8 5.5 57 58 A W E -AB 46 101A 18 -11,-1.8 -11,-0.9 -2,-0.3 2,-0.6 -0.955 29.8-153.8 -90.3 125.6 -27.6 14.2 6.6 58 59 A V E -AB 45 100A 0 42,-3.3 42,-2.8 -2,-0.6 2,-0.5 -0.940 16.2-178.1-116.9 107.8 -27.4 12.6 3.2 59 60 A R E -A 44 0A 71 -15,-3.1 -15,-4.0 -2,-0.6 40,-0.1 -0.939 9.3-177.1-117.9 120.8 -29.1 9.1 3.1 60 61 A A > - 0 0 8 -2,-0.5 3,-1.0 38,-0.3 2,-0.2 -0.449 49.0 -74.1 -93.3 176.0 -29.2 6.7 0.2 61 62 A P T 3 S+ 0 0 64 0, 0.0 36,-0.2 0, 0.0 -1,-0.1 -0.507 116.7 43.6 -67.6 147.2 -31.1 3.4 0.3 62 63 A G T 3 S+ 0 0 54 1,-0.2 37,-0.1 -2,-0.2 32,-0.0 0.178 73.7 161.5 109.5 -16.2 -29.4 0.7 2.4 63 64 A C < - 0 0 40 -3,-1.0 -1,-0.2 35,-0.1 35,-0.2 -0.112 28.6-141.1 -63.0 122.1 -28.4 3.0 5.2 64 65 A Q > - 0 0 96 33,-3.0 3,-0.7 1,-0.1 35,-0.3 -0.408 15.7-109.8 -81.4 153.7 -27.5 1.0 8.4 65 66 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.865 103.0 26.3 -42.6 -68.4 -28.3 1.9 12.1 66 67 A G T 3 S+ 0 0 21 66,-0.1 67,-0.4 32,-0.0 -1,-0.2 0.619 99.0 106.0 -78.5 -4.9 -25.1 2.8 13.9 67 68 A K < + 0 0 38 -3,-0.7 32,-0.5 30,-0.2 2,-0.2 -0.388 36.9 161.3 -99.5 160.3 -23.1 4.1 11.1 68 69 A A E -cd 99 137A 0 68,-1.4 70,-2.4 30,-0.2 2,-0.5 -0.931 23.8-145.5-167.0 155.7 -21.9 7.6 9.7 69 70 A I E -cd 100 138A 0 30,-1.7 32,-3.8 -2,-0.2 2,-1.2 -0.943 10.9-149.6-124.7 118.4 -19.6 9.5 7.5 70 71 A L E -cd 101 139A 1 68,-2.2 70,-3.2 -2,-0.5 2,-0.6 -0.783 29.9-167.0 -80.2 103.3 -18.2 12.9 8.2 71 72 A Y E -cd 102 140A 0 30,-2.4 32,-1.6 -2,-1.2 2,-0.5 -0.846 10.3-167.4 -92.8 129.9 -17.9 14.0 4.7 72 73 A L E -cd 103 141A 0 68,-2.7 70,-1.2 -2,-0.6 77,-0.1 -0.954 15.6-138.0-119.8 123.9 -15.9 17.1 3.8 73 74 A H - 0 0 0 30,-0.5 4,-0.1 -2,-0.5 32,-0.1 -0.289 12.5-127.8 -80.0 152.4 -16.1 18.7 0.3 74 75 A G + 0 0 1 70,-0.2 69,-0.2 71,-0.1 -1,-0.1 -0.212 47.8 131.3 -82.3-174.3 -13.3 20.0 -1.7 75 76 A G S >> S- 0 0 11 5,-0.1 3,-1.9 67,-0.1 4,-1.5 0.367 86.1 -78.6 132.8 29.6 -13.1 23.4 -3.3 76 77 A G T 34 S- 0 0 9 1,-0.3 126,-0.1 2,-0.2 -2,-0.1 0.585 74.2 -83.3 83.8 -3.9 -9.8 25.0 -2.5 77 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-3.2 -4,-0.1 -1,-0.3 0.340 130.0 74.2 69.6 2.2 -11.1 26.0 1.0 78 79 A V T <4 S+ 0 0 0 -3,-1.9 2,-0.2 29,-0.2 -2,-0.2 0.381 102.8 15.3-120.5 -6.1 -12.6 29.0 -0.6 79 80 A M S < S+ 0 0 28 -4,-1.5 -2,-0.3 -51,-0.0 29,-0.1 -0.869 70.3 83.5-153.6-175.9 -15.5 27.3 -2.4 80 81 A G - 0 0 4 -2,-0.2 2,-0.3 -51,-0.1 -5,-0.1 -0.118 44.9-166.6 89.2 165.8 -17.9 24.2 -2.8 81 82 A S > - 0 0 15 1,-0.2 4,-1.2 -7,-0.1 3,-0.2 -0.953 42.5 -71.6-176.5 167.0 -20.9 23.6 -0.6 82 83 A I H >> S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.2 3,-1.3 0.971 128.8 50.9 -44.7 -56.5 -23.5 21.0 0.4 83 84 A N H 34 S+ 0 0 55 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.864 105.6 52.9 -53.3 -41.4 -25.1 21.4 -3.0 84 85 A T H 34 S+ 0 0 23 1,-0.2 -47,-0.3 -3,-0.2 -1,-0.3 0.739 121.0 33.4 -72.1 -20.0 -22.0 21.0 -5.2 85 86 A H H S+ 0 0 8 -4,-0.5 4,-2.0 -50,-0.5 5,-0.2 0.961 111.1 43.0 -63.0 -49.9 -24.6 13.9 -5.7 88 89 A M H > S+ 0 0 9 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 113.9 52.5 -67.2 -23.0 -21.3 12.3 -5.1 89 90 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.902 102.8 56.8 -86.9 -36.4 -21.9 11.9 -1.5 90 91 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.981 109.2 48.9 -42.3 -51.5 -25.2 10.2 -2.0 91 92 A E H X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.3 5,-0.3 0.891 109.1 50.1 -67.5 -35.6 -23.3 7.7 -4.1 92 93 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.958 111.7 49.2 -70.8 -37.0 -20.7 7.2 -1.5 93 94 A S H X>S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-1.0 0.957 110.7 51.4 -59.9 -51.7 -23.5 6.6 1.1 94 95 A R H <5S+ 0 0 74 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.866 113.0 45.2 -46.7 -42.9 -25.2 4.1 -1.3 95 96 A A H <5S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.855 120.8 38.6 -82.3 -21.7 -22.0 2.2 -1.6 96 97 A S H <5S- 0 0 1 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.586 98.1-127.9-108.2 -7.3 -21.2 2.3 2.1 97 98 A Q T <5S+ 0 0 74 -4,-2.3 -33,-3.0 1,-0.3 2,-0.4 0.829 72.9 111.0 69.0 30.7 -24.7 1.7 3.7 98 99 A A S - 0 0 29 -29,-0.1 4,-1.7 8,-0.1 3,-0.4 -0.744 18.5 -87.5-111.2 149.5 -14.7 29.0 3.9 108 109 A A T 4 S+ 0 0 0 -31,-3.2 94,-0.1 -2,-0.3 93,-0.1 -0.581 94.1 35.9 -90.3 164.3 -11.9 31.4 3.2 109 110 A P T 4 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 -31,-0.1 -0.990 127.4 42.5 -92.9 11.6 -11.1 34.1 2.7 110 111 A E T 4 S+ 0 0 103 -3,-0.4 -2,-0.2 1,-0.3 -32,-0.0 0.855 129.7 30.8 -70.0 -36.2 -13.8 35.3 5.0 111 112 A H S < S- 0 0 81 -4,-1.7 5,-0.4 3,-0.0 -1,-0.3 -0.807 89.8-163.5-124.5 83.9 -13.0 32.4 7.5 112 113 A P > - 0 0 41 0, 0.0 3,-2.4 0, 0.0 91,-0.2 -0.206 35.8 -40.7 -68.8 163.4 -9.2 31.7 7.2 113 114 A F T 3 S+ 0 0 23 89,-2.3 93,-0.1 1,-0.3 100,-0.1 -0.289 122.5 37.8 -38.3 137.9 -7.4 28.7 8.5 114 115 A P T 3> S+ 0 0 52 0, 0.0 4,-3.1 0, 0.0 -1,-0.3 -0.831 98.9 86.0 -96.2 25.8 -7.9 27.2 11.1 115 116 A A H <> S+ 0 0 5 -3,-2.4 4,-2.4 1,-0.2 -9,-0.2 0.952 90.0 44.9 -54.7 -63.8 -11.6 27.8 10.7 116 117 A A H > S+ 0 0 0 -5,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.786 114.1 51.7 -56.3 -28.5 -12.5 24.8 8.6 117 118 A V H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.930 107.4 52.5 -70.1 -45.1 -10.4 22.5 10.9 118 119 A E H X S+ 0 0 105 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.900 110.9 49.2 -58.3 -31.3 -12.2 23.9 13.9 119 120 A D H X S+ 0 0 7 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.956 109.5 49.7 -70.7 -48.7 -15.4 23.0 12.1 120 121 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.3 5,-0.2 0.969 113.5 45.8 -53.4 -53.8 -14.4 19.4 11.2 121 122 A V H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -1,-0.3 0.903 112.4 51.6 -57.0 -38.1 -13.3 18.7 14.7 122 123 A A H X S+ 0 0 28 -4,-1.4 4,-1.4 -5,-0.4 -1,-0.2 0.918 110.6 47.3 -75.5 -33.0 -16.4 20.2 16.0 123 124 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.906 110.8 51.1 -66.4 -45.1 -18.6 18.1 13.7 124 125 A Y H >X S+ 0 0 3 -4,-2.7 4,-2.1 -5,-0.2 3,-1.3 0.991 110.2 50.3 -53.1 -59.6 -16.8 15.0 14.6 125 126 A R H 3X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.764 109.7 53.0 -41.9 -37.3 -17.3 15.8 18.4 126 127 A W H 3X S+ 0 0 51 -4,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.851 102.2 55.5 -73.2 -36.5 -20.9 16.3 17.7 127 128 A L H X<>S+ 0 0 0 -4,-1.9 5,-1.8 -3,-1.3 3,-0.5 0.952 112.3 45.5 -64.9 -41.1 -21.3 13.0 16.0 128 129 A L H ><5S+ 0 0 31 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.904 105.7 56.4 -66.3 -40.5 -20.0 11.6 19.2 129 130 A D H 3<5S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 104.0 57.0 -67.5 -12.5 -22.1 13.7 21.4 130 131 A Q T <<5S- 0 0 104 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.521 125.0-110.1 -82.3 -11.3 -25.0 12.1 19.4 131 132 A G T < 5 + 0 0 57 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.857 62.5 155.7 82.3 30.3 -23.6 8.8 20.5 132 133 A F < - 0 0 46 -5,-1.8 -1,-0.3 -6,-0.1 5,-0.1 -0.720 48.4-120.9 -72.9 138.1 -22.3 7.6 17.2 133 134 A K > - 0 0 124 -67,-0.4 3,-6.4 -2,-0.4 4,-0.3 -0.819 10.6-125.7 -98.6 125.4 -19.6 5.1 18.3 134 135 A P G > S+ 0 0 30 0, 0.0 3,-2.5 0, 0.0 31,-0.8 0.719 112.6 53.9 -30.5 -45.6 -16.1 5.9 17.1 135 136 A Q G 3 S+ 0 0 103 1,-0.3 -68,-0.0 29,-0.2 -2,-0.0 0.578 105.5 54.3 -79.7 -10.1 -15.8 2.5 15.6 136 137 A H G < S+ 0 0 58 -3,-6.4 -68,-1.4 -70,-0.1 2,-0.4 0.224 97.6 91.4 -94.7 5.8 -19.0 3.1 13.7 137 138 A L E < +d 68 0A 1 -3,-2.5 28,-2.7 -4,-0.3 29,-0.8 -0.793 47.8 179.5-105.8 151.8 -17.6 6.2 12.2 138 139 A S E -de 69 166A 1 -70,-2.4 -68,-2.2 -2,-0.4 2,-0.4 -0.947 13.1-152.2-132.1 157.4 -15.8 6.9 9.1 139 140 A I E +de 70 167A 0 27,-1.1 29,-2.4 -2,-0.3 2,-0.3 -0.983 20.7 167.3-134.4 129.2 -14.5 10.3 7.8 140 141 A S E +de 71 168A 0 -70,-3.2 -68,-2.7 -2,-0.4 2,-0.3 -0.872 4.3 159.9-141.6 174.4 -14.0 11.1 4.1 141 142 A G E -de 72 169A 0 27,-1.6 29,-3.5 -2,-0.3 2,-0.5 -0.883 27.9-120.5 170.6 137.2 -13.4 14.1 1.8 142 143 A D E > - e 0 170A 7 -70,-1.2 3,-2.9 -2,-0.3 2,-0.4 -0.872 67.0 -37.1-102.4 135.9 -12.2 15.3 -1.6 143 144 A S T 3> S+ 0 0 14 27,-3.1 30,-2.6 -2,-0.5 4,-1.8 -0.383 139.2 8.4 73.5-116.7 -9.4 17.6 -2.5 144 145 A A H 3> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 3,-0.4 0.932 135.9 55.3 -65.1 -30.4 -9.1 20.4 0.0 145 146 A G H <> S+ 0 0 0 -3,-2.9 4,-2.0 1,-0.3 -2,-0.3 0.869 103.1 57.0 -66.6 -37.7 -11.7 18.3 1.8 146 147 A G H > S+ 0 0 0 24,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.885 107.4 44.7 -66.7 -32.5 -9.3 15.4 1.6 147 148 A G H >X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.4 3,-0.8 0.956 109.8 55.0 -76.1 -43.9 -6.6 17.2 3.4 148 149 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 5,-0.3 0.832 97.8 65.2 -50.6 -37.9 -8.9 18.5 6.0 149 150 A V H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.3 -1,-0.3 0.930 109.7 39.9 -50.1 -45.1 -10.0 14.8 6.7 150 151 A L H S+ 0 0 1 -4,-3.3 5,-3.2 2,-0.2 4,-0.3 0.795 114.3 52.6 -63.7 -30.0 -9.1 15.5 17.3 157 158 A R H ><5S+ 0 0 48 -4,-2.8 3,-2.4 -5,-0.2 -2,-0.2 0.980 104.7 52.6 -73.5 -50.9 -6.3 13.2 18.3 158 159 A D H 3<5S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 112.0 50.8 -43.6 -32.8 -4.3 16.0 19.9 159 160 A Q T 3<5S- 0 0 93 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.478 125.3-100.1 -97.6 7.5 -7.5 16.9 21.8 160 161 A G T < 5 + 0 0 58 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.786 64.9 157.6 93.7 29.7 -8.2 13.4 23.1 161 162 A L < - 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