==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 24-DEC-11 3V9A . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR I.J.KIM,K.H.NAM . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.4 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 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 2 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 91 0, 0.0 261,-0.1 0, 0.0 262,-0.0 0.000 360.0 360.0 360.0 137.0 -7.8 4.3 -21.4 2 3 A G > - 0 0 19 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.263 360.0-118.7 -64.5 153.6 -11.6 3.9 -21.5 3 4 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.864 111.1 57.7 -61.8 -35.6 -13.7 5.9 -24.0 4 5 A E H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.896 106.2 45.3 -63.0 -45.4 -15.5 7.7 -21.2 5 6 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 112.5 53.0 -68.9 -35.9 -12.4 9.2 -19.6 6 7 A V H X S+ 0 0 86 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.940 114.2 40.8 -61.2 -50.0 -11.0 10.2 -23.0 7 8 A K H X S+ 0 0 126 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.826 113.0 56.6 -68.4 -32.1 -14.3 12.0 -23.9 8 9 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.936 108.1 46.1 -64.4 -45.6 -14.5 13.4 -20.3 9 10 A K H X S+ 0 0 28 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.861 111.2 54.3 -63.9 -35.4 -11.0 15.0 -20.6 10 11 A K H X S+ 0 0 118 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.964 110.4 44.3 -62.5 -53.0 -12.0 16.4 -24.0 11 12 A I H X S+ 0 0 59 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.894 110.7 55.2 -58.3 -44.1 -15.1 18.1 -22.7 12 13 A L H X S+ 0 0 33 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.878 111.1 43.3 -60.0 -42.0 -13.3 19.5 -19.6 13 14 A R H < S+ 0 0 124 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.869 112.7 53.0 -72.1 -36.4 -10.6 21.2 -21.7 14 15 A E H < S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 116.7 40.0 -67.6 -21.3 -13.2 22.5 -24.2 15 16 A K H < S+ 0 0 174 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.448 97.0 98.0-108.8 -5.1 -15.2 24.0 -21.3 16 17 A A S < S- 0 0 55 -4,-0.6 176,-0.0 -3,-0.5 -3,-0.0 -0.492 77.0-105.1 -92.6 156.3 -12.4 25.4 -19.1 17 18 A V - 0 0 85 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.571 48.0 -99.0 -73.0 137.9 -11.0 28.9 -18.8 18 19 A P > - 0 0 86 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.092 52.1 -80.5 -50.4 155.2 -7.5 29.3 -20.4 19 20 A P T 3 S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.361 109.0 14.3 -63.1 135.8 -4.4 29.1 -18.1 20 21 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.285 83.5 127.5 88.4 -10.6 -3.6 32.3 -16.2 21 22 A T < - 0 0 73 -3,-1.1 2,-1.0 1,-0.1 -1,-0.3 -0.636 61.3-123.9 -78.2 138.4 -6.7 34.3 -16.5 22 23 A E - 0 0 157 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.0 -0.723 22.5-164.1 -92.9 103.9 -8.0 35.4 -13.1 23 24 A V - 0 0 42 -2,-1.0 5,-0.1 1,-0.1 -6,-0.0 -0.742 28.4-115.9 -82.2 122.6 -11.5 34.3 -12.4 24 25 A P > - 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.193 22.8-118.7 -52.9 150.5 -13.0 36.3 -9.5 25 26 A L H > S+ 0 0 16 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.922 113.1 51.7 -63.1 -45.9 -13.8 34.1 -6.5 26 27 A D H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.803 110.3 51.6 -63.4 -27.3 -17.6 34.8 -6.5 27 28 A V H > S+ 0 0 73 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 111.4 45.5 -71.8 -47.0 -17.6 33.9 -10.2 28 29 A M H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.928 113.0 52.3 -58.3 -46.3 -15.9 30.6 -9.5 29 30 A R H X S+ 0 0 58 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.906 112.8 42.9 -56.9 -46.5 -18.2 29.9 -6.6 30 31 A K H X S+ 0 0 142 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.869 112.4 53.6 -71.0 -36.7 -21.4 30.5 -8.7 31 32 A G H X S+ 0 0 32 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.887 108.2 49.8 -63.7 -39.7 -20.0 28.6 -11.6 32 33 A M H < S+ 0 0 52 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.885 110.4 51.0 -68.5 -36.6 -19.4 25.6 -9.4 33 34 A E H >< S+ 0 0 72 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.913 110.3 49.2 -62.1 -43.6 -22.9 25.8 -8.0 34 35 A K H 3< S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.793 111.9 45.7 -73.6 -29.0 -24.5 25.9 -11.4 35 36 A V T 3< S+ 0 0 94 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.414 84.7 126.3 -92.8 2.1 -22.6 22.9 -12.9 36 37 A A < - 0 0 28 -3,-0.8 2,-0.2 -4,-0.4 48,-0.1 -0.331 65.2-113.4 -62.0 138.0 -23.3 20.8 -9.8 37 38 A F - 0 0 79 47,-0.4 50,-0.4 232,-0.1 2,-0.3 -0.495 25.0-115.2 -73.7 140.8 -24.9 17.4 -10.5 38 39 A K - 0 0 199 -2,-0.2 3,-0.1 48,-0.1 -1,-0.1 -0.578 36.7-115.4 -70.0 133.0 -28.4 16.8 -9.2 39 40 A A - 0 0 18 -2,-0.3 48,-0.1 1,-0.1 -1,-0.1 -0.345 42.2 -84.2 -66.8 152.4 -28.3 14.0 -6.6 40 41 A A > - 0 0 32 47,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.259 39.5-117.2 -56.6 147.7 -30.1 10.8 -7.6 41 42 A D T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.530 111.9 59.9 -71.9 -4.8 -33.9 10.9 -6.8 42 43 A D T 3 S+ 0 0 76 2,-0.1 2,-0.6 19,-0.0 -1,-0.3 0.382 80.4 104.9-100.5 2.4 -33.7 8.1 -4.2 43 44 A I < - 0 0 20 -3,-1.9 2,-0.3 17,-0.1 17,-0.2 -0.738 62.9-151.2 -81.0 120.1 -31.2 10.1 -2.1 44 45 A Q E -A 59 0A 139 15,-3.0 15,-2.8 -2,-0.6 2,-0.4 -0.708 11.6-163.3 -96.3 150.0 -33.0 11.5 0.9 45 46 A V E -A 58 0A 58 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.989 12.9-175.5-139.3 138.2 -31.8 14.7 2.5 46 47 A E E -A 57 0A 91 11,-1.6 11,-2.9 -2,-0.4 2,-0.3 -0.974 22.4-133.4-137.5 123.3 -32.3 16.4 5.9 47 48 A Q E +A 56 0A 162 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.533 33.1 165.5 -75.3 135.0 -31.1 19.9 6.9 48 49 A V E -A 55 0A 30 7,-2.4 7,-1.8 -2,-0.3 2,-0.6 -0.961 36.4-122.8-141.0 160.0 -29.4 20.2 10.2 49 50 A T E -A 54 0A 110 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.942 31.4-178.4-104.4 120.7 -27.2 22.7 12.1 50 51 A V E > -A 53 0A 0 3,-3.1 3,-1.9 -2,-0.6 73,-0.1 -0.974 66.5 -21.3-125.8 117.7 -23.9 21.2 13.2 51 52 A A T 3 S- 0 0 43 -2,-0.5 -1,-0.1 1,-0.3 72,-0.1 0.881 126.9 -50.6 53.3 45.6 -21.3 23.2 15.2 52 53 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.479 120.5 109.5 73.9 2.1 -22.7 26.5 13.9 53 54 A C E < S-A 50 0A 9 -3,-1.9 -3,-3.1 66,-0.1 -1,-0.2 -0.846 72.8-115.6-111.2 146.1 -22.6 25.3 10.3 54 55 A A E +A 49 0A 52 50,-0.4 50,-2.4 -2,-0.3 2,-0.3 -0.465 46.0 164.7 -67.5 149.2 -25.4 24.3 7.9 55 56 A A E -AB 48 103A 3 -7,-1.8 -7,-2.4 48,-0.2 2,-0.4 -0.968 28.6-136.7-157.3 168.3 -25.3 20.6 7.0 56 57 A E E -AB 47 102A 11 46,-1.5 46,-2.9 -2,-0.3 2,-0.7 -0.998 15.3-134.3-132.1 137.0 -27.3 17.9 5.4 57 58 A W E -AB 46 101A 19 -11,-2.9 -11,-1.6 -2,-0.4 2,-0.7 -0.840 28.0-155.7 -78.4 120.3 -27.8 14.3 6.5 58 59 A V E -AB 45 100A 0 42,-3.6 42,-2.2 -2,-0.7 2,-0.6 -0.886 15.0-178.5-105.9 109.8 -27.4 12.6 3.2 59 60 A R E -A 44 0A 71 -15,-2.8 -15,-3.0 -2,-0.7 40,-0.1 -0.894 8.7-173.1-117.9 108.9 -29.1 9.2 3.2 60 61 A A > - 0 0 6 -2,-0.6 3,-0.8 38,-0.2 -17,-0.1 -0.334 46.4 -80.5 -76.2 169.4 -29.1 6.8 0.3 61 62 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 36,-0.2 -0.386 114.8 40.0 -66.3 158.2 -31.3 3.7 0.4 62 63 A G T 3 S+ 0 0 54 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.565 76.1 162.6 82.4 10.2 -29.8 0.8 2.5 63 64 A C < - 0 0 43 -3,-0.8 2,-0.3 35,-0.1 35,-0.3 -0.439 33.6-130.8 -70.2 131.3 -28.4 2.9 5.3 64 65 A Q > - 0 0 89 33,-2.9 3,-1.1 -2,-0.2 35,-0.4 -0.600 20.9-112.4 -82.6 138.7 -27.5 1.1 8.4 65 66 A A T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.384 98.8 23.4 -63.6 142.5 -28.6 2.3 11.8 66 67 A G T 3 S+ 0 0 42 1,-0.2 67,-0.4 -2,-0.1 2,-0.2 0.109 100.2 101.8 91.6 -23.3 -25.8 3.5 14.1 67 68 A K < + 0 0 44 -3,-1.1 32,-0.6 30,-0.1 2,-0.3 -0.643 41.5 168.4 -99.4 156.1 -23.3 4.3 11.4 68 69 A A E -cd 99 137A 0 68,-1.7 70,-0.9 -2,-0.2 2,-0.5 -0.984 23.7-144.9-161.1 151.2 -22.3 7.7 9.9 69 70 A I E -cd 100 138A 0 30,-1.7 32,-3.7 -2,-0.3 2,-0.7 -0.987 13.1-145.1-120.1 125.8 -19.7 9.4 7.7 70 71 A L E -cd 101 139A 0 68,-2.5 70,-2.4 -2,-0.5 2,-0.5 -0.831 26.1-158.6 -82.7 116.4 -18.5 12.9 8.3 71 72 A Y E -cd 102 140A 1 30,-2.8 32,-1.7 -2,-0.7 2,-0.6 -0.875 12.3-164.4-106.3 132.0 -17.9 14.2 4.7 72 73 A L E - d 0 141A 0 68,-2.8 70,-1.2 -2,-0.5 77,-0.2 -0.920 19.0-141.4-115.6 110.4 -15.7 17.2 3.9 73 74 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.5 75,-0.1 -0.183 10.9-119.8 -73.9 158.4 -16.2 18.7 0.5 74 75 A G + 0 0 1 70,-0.2 69,-0.1 71,-0.1 -1,-0.1 -0.232 53.6 125.9 -83.7-179.6 -13.5 20.0 -1.9 75 76 A G S >> S- 0 0 12 5,-0.1 3,-2.4 67,-0.1 4,-1.8 0.514 87.0 -86.3 132.9 27.7 -13.2 23.5 -3.3 76 77 A G T 34 S- 0 0 4 1,-0.3 127,-0.2 2,-0.2 -2,-0.1 0.682 75.8 -75.3 55.9 22.4 -9.7 24.6 -2.5 77 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-2.8 -4,-0.2 -1,-0.3 0.453 133.0 74.7 68.1 3.1 -10.9 25.8 0.9 78 79 A V T <4 S+ 0 0 0 -3,-2.4 2,-0.2 29,-0.2 -2,-0.2 0.453 100.6 12.1-122.3 -5.8 -12.4 28.8 -0.9 79 80 A M S < S+ 0 0 22 -4,-1.8 -2,-0.3 -51,-0.0 29,-0.1 -0.850 71.6 87.6-156.4-171.8 -15.5 27.3 -2.5 80 81 A G - 0 0 8 -2,-0.2 2,-0.3 -51,-0.1 -5,-0.1 -0.097 41.4-167.4 88.7 165.3 -17.8 24.3 -2.8 81 82 A S > - 0 0 15 1,-0.1 4,-1.0 -7,-0.1 -7,-0.1 -0.913 43.8 -74.4-166.5-173.1 -20.9 23.6 -0.7 82 83 A I H > S+ 0 0 17 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 0.916 128.8 52.2 -65.5 -43.2 -23.5 21.0 0.3 83 84 A N H 4 S+ 0 0 58 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.859 105.1 52.9 -60.6 -40.8 -25.1 21.5 -3.1 84 85 A T H 4 S+ 0 0 19 1,-0.2 -47,-0.4 2,-0.1 -1,-0.2 0.811 121.2 31.0 -69.2 -26.9 -21.9 21.0 -5.1 85 86 A H H X S+ 0 0 9 -4,-1.0 4,-2.4 -3,-0.4 5,-0.3 0.422 86.4 100.2-114.0 1.4 -21.2 17.6 -3.5 86 87 A R H X S+ 0 0 52 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.1 0.833 83.7 52.8 -59.9 -34.7 -24.6 16.2 -2.7 87 88 A S H > S+ 0 0 7 -50,-0.4 4,-1.5 -4,-0.4 -47,-0.3 0.945 113.1 39.9 -65.9 -52.8 -24.6 13.9 -5.7 88 89 A M H > S+ 0 0 8 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.868 115.2 53.1 -66.3 -37.7 -21.2 12.2 -5.0 89 90 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.864 105.2 55.1 -69.2 -34.0 -21.9 12.0 -1.3 90 91 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.916 108.3 48.3 -61.4 -43.3 -25.2 10.3 -2.0 91 92 A E H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.811 110.4 51.2 -69.6 -30.1 -23.4 7.6 -4.0 92 93 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.933 109.2 50.7 -69.2 -46.5 -20.8 7.2 -1.2 93 94 A S H X>S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 5,-1.2 0.911 110.9 50.7 -51.2 -45.0 -23.7 6.8 1.2 94 95 A R H <5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 113.6 42.2 -62.3 -46.3 -25.1 4.2 -1.2 95 96 A A H <5S+ 0 0 12 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 120.7 41.8 -72.2 -31.2 -21.9 2.2 -1.5 96 97 A S H <5S- 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.541 99.1-134.6 -92.8 -10.0 -21.1 2.4 2.2 97 98 A Q T <5 + 0 0 61 -4,-1.3 -33,-2.9 -5,-0.2 2,-0.3 0.876 69.0 109.9 54.8 41.4 -24.7 1.7 3.4 98 99 A A S - 0 0 25 -29,-0.1 4,-3.0 -3,-0.1 -29,-0.2 -0.706 17.0 -84.7-108.4 152.0 -14.5 29.0 3.8 108 109 A A T 4 S+ 0 0 0 -31,-2.8 95,-0.2 -2,-0.3 94,-0.1 -0.539 97.8 29.2 -81.2 158.2 -11.6 31.4 3.0 109 110 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.998 128.7 44.3 -83.8 -7.2 -11.0 34.2 2.5 110 111 A E T 4 S+ 0 0 104 1,-0.3 -2,-0.3 -32,-0.1 -32,-0.1 0.916 134.5 20.6 -59.1 -43.1 -14.0 35.1 4.7 111 112 A H S < S- 0 0 83 -4,-3.0 -1,-0.3 3,-0.0 5,-0.3 -0.794 88.0-167.8-130.1 90.2 -12.8 32.5 7.2 112 113 A P > - 0 0 39 0, 0.0 3,-2.3 0, 0.0 92,-0.2 -0.125 38.7 -23.6 -72.0 169.8 -9.1 31.6 6.8 113 114 A F T 3 S+ 0 0 21 90,-3.3 94,-0.1 1,-0.3 101,-0.1 -0.231 123.3 27.6 -43.7 134.9 -7.2 28.7 8.3 114 115 A P T >> S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.870 97.2 88.6-101.3 25.8 -7.8 27.2 10.8 115 116 A A H <> S+ 0 0 5 -3,-2.3 4,-2.3 1,-0.2 -9,-0.3 0.862 90.1 51.5 -47.5 -47.4 -11.6 27.8 10.6 116 117 A A H 3> S+ 0 0 0 -5,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.862 109.8 49.3 -60.8 -39.7 -12.2 24.7 8.4 117 118 A V H <> S+ 0 0 4 -3,-0.7 4,-3.1 2,-0.2 5,-0.3 0.915 109.1 52.2 -66.4 -44.9 -10.3 22.4 10.8 118 119 A E H X S+ 0 0 102 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 111.6 47.1 -56.4 -44.5 -12.2 23.8 13.8 119 120 A D H X S+ 0 0 9 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.921 113.1 48.9 -65.5 -42.6 -15.5 23.1 12.0 120 121 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 114.0 44.7 -60.1 -51.4 -14.4 19.6 11.1 121 122 A V H X S+ 0 0 6 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.916 115.2 48.0 -60.0 -45.4 -13.2 18.7 14.6 122 123 A A H X S+ 0 0 35 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.863 110.7 51.6 -65.9 -36.2 -16.4 20.2 16.2 123 124 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.909 110.8 48.1 -66.0 -42.4 -18.6 18.3 13.7 124 125 A Y H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.905 112.3 49.1 -62.6 -41.8 -16.8 15.1 14.5 125 126 A R H X S+ 0 0 101 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.871 108.0 55.3 -64.6 -35.9 -17.2 15.9 18.2 126 127 A W H X S+ 0 0 53 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 104.3 53.3 -61.2 -46.2 -20.9 16.6 17.5 127 128 A L H X>S+ 0 0 1 -4,-2.3 5,-2.0 1,-0.2 4,-0.6 0.905 109.6 49.2 -53.5 -45.4 -21.3 13.1 16.0 128 129 A L H ><5S+ 0 0 30 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.925 109.9 49.7 -61.8 -46.8 -19.9 11.6 19.1 129 130 A D H 3<5S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.734 102.1 62.7 -68.8 -21.5 -22.2 13.6 21.4 130 131 A Q H 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.694 128.5 -97.3 -73.5 -18.5 -25.2 12.5 19.3 131 132 A G T <<5S+ 0 0 49 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.521 73.7 146.7 114.6 11.6 -24.4 9.0 20.4 132 133 A F < - 0 0 44 -5,-2.0 -1,-0.3 1,-0.0 -65,-0.1 -0.670 45.6-129.9 -78.9 124.2 -22.4 7.7 17.4 133 134 A K > - 0 0 112 -2,-0.5 3,-2.0 -67,-0.4 4,-0.1 -0.490 13.3-124.6 -72.8 143.6 -19.7 5.2 18.5 134 135 A P G > S+ 0 0 31 0, 0.0 3,-1.6 0, 0.0 31,-1.1 0.867 113.5 57.3 -52.1 -40.6 -16.2 5.8 17.2 135 136 A Q G 3 S+ 0 0 110 1,-0.3 -2,-0.0 29,-0.2 -68,-0.0 0.585 105.1 52.4 -69.5 -9.7 -16.2 2.3 15.8 136 137 A H G < S+ 0 0 70 -3,-2.0 -68,-1.7 -70,-0.1 -1,-0.3 0.222 99.7 85.7-108.5 12.7 -19.3 3.2 13.8 137 138 A L E < +d 68 0A 0 -3,-1.6 28,-1.4 -70,-0.2 29,-0.6 -0.714 46.4 178.6-116.2 163.3 -17.8 6.3 12.2 138 139 A S E -de 69 166A 1 -70,-0.9 -68,-2.5 -2,-0.2 2,-0.4 -0.965 16.7-144.8-154.6 154.1 -15.7 7.2 9.2 139 140 A I E +de 70 167A 1 27,-1.4 29,-2.4 -2,-0.3 2,-0.3 -0.994 25.6 167.1-126.7 131.6 -14.4 10.5 7.8 140 141 A S E +de 71 168A 0 -70,-2.4 -68,-2.8 -2,-0.4 2,-0.3 -0.958 2.4 151.3-142.9 160.1 -14.1 11.1 4.0 141 142 A G E -de 72 169A 0 27,-1.6 29,-3.6 -2,-0.3 2,-0.4 -0.951 29.9-116.8 177.6 162.4 -13.5 14.0 1.7 142 143 A D E > - 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