==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-11 3RVA . COMPND 2 MOLECULE: ORGANOPHOSPHORUS ACID ANHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTEROMONAS MACLEODII; . AUTHOR A.STEPANKOVA,T.KOVAL,L.H.OSTERGAARD,J.DUSKOVA,T.SKALOVA,J.HA . 445 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.2 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 . 1 0.2 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 . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 3 0 1 2 1 0 0 1 1 0 0 0 0 0 1 0 0 1 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 6 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 S 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.8 2.5 13.8 36.9 2 3 A Q > + 0 0 102 160,-0.0 4,-2.0 3,-0.0 5,-0.2 0.320 360.0 102.5-148.4 1.0 3.4 16.9 34.9 3 4 A H H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.761 73.0 57.5 -73.9 -31.0 1.1 19.7 36.2 4 5 A K H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.966 113.0 39.8 -67.4 -46.0 3.4 21.6 38.5 5 6 A A H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.935 118.5 47.4 -67.2 -45.5 6.0 22.4 35.8 6 7 A T H X S+ 0 0 25 -4,-2.0 4,-2.2 1,-0.2 156,-0.4 0.911 111.5 52.4 -64.5 -37.4 3.4 23.0 33.1 7 8 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.940 105.8 53.1 -63.6 -42.5 1.4 25.3 35.5 8 9 A Q H X S+ 0 0 91 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.897 110.1 48.2 -60.6 -35.5 4.5 27.4 36.3 9 10 A Q H X S+ 0 0 90 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.879 108.5 54.9 -69.1 -37.7 4.9 27.9 32.6 10 11 A H H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 107.1 50.5 -57.6 -48.8 1.2 28.8 32.3 11 12 A I H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.904 108.0 52.3 -57.0 -44.1 1.7 31.5 35.0 12 13 A E H X S+ 0 0 123 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.911 110.6 48.3 -62.2 -39.3 4.7 32.9 33.1 13 14 A E H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.915 112.2 48.8 -65.8 -42.3 2.5 33.2 29.9 14 15 A L H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.876 108.7 52.9 -64.4 -39.9 -0.3 34.8 31.9 15 16 A Q H X S+ 0 0 14 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.920 109.5 50.0 -60.5 -42.6 2.1 37.3 33.5 16 17 A A H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.920 111.7 46.9 -61.5 -46.2 3.3 38.2 29.9 17 18 A R H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.895 110.6 53.6 -62.3 -37.5 -0.3 38.7 28.7 18 19 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 105.0 53.7 -67.5 -43.1 -1.0 40.8 31.8 19 20 A R H X S+ 0 0 106 -4,-2.3 4,-1.8 54,-0.2 -1,-0.2 0.902 111.7 45.9 -54.6 -43.1 2.0 43.1 31.1 20 21 A E H X S+ 0 0 58 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.934 112.6 49.0 -68.6 -45.4 0.7 43.7 27.6 21 22 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 111.2 50.7 -59.7 -42.8 -2.9 44.3 28.7 22 23 A L H X>S+ 0 0 9 -4,-2.6 5,-2.4 1,-0.2 4,-1.4 0.870 108.2 52.3 -64.3 -39.7 -1.8 46.8 31.3 23 24 A Q H <5S+ 0 0 148 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.889 108.0 51.9 -62.3 -42.1 0.4 48.7 28.8 24 25 A R H <5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 117.3 36.9 -65.9 -36.3 -2.6 49.1 26.5 25 26 A E H <5S- 0 0 56 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.624 108.9-119.9 -90.4 -14.2 -4.9 50.5 29.1 26 27 A G T <5 + 0 0 41 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.883 65.3 136.3 74.9 41.5 -2.2 52.5 31.0 27 28 A L < - 0 0 17 -5,-2.4 -1,-0.2 -6,-0.1 98,-0.2 -0.766 57.7-141.8-120.1 162.0 -2.6 50.7 34.3 28 29 A D S S- 0 0 79 96,-2.8 2,-0.3 -2,-0.3 97,-0.2 0.559 78.1 -22.5 -94.4 -16.4 -0.3 49.3 37.0 29 30 A G E -a 125 0A 0 95,-1.1 97,-1.5 -7,-0.1 2,-0.4 -0.986 54.3-111.6-178.5 170.3 -2.4 46.2 37.8 30 31 A L E -aB 126 71A 1 41,-2.4 41,-2.2 -2,-0.3 2,-0.5 -0.934 11.6-153.1-117.1 146.8 -5.6 44.3 37.8 31 32 A V E -aB 127 70A 0 95,-2.8 97,-2.8 -2,-0.4 2,-0.5 -0.988 20.1-163.2-117.1 115.7 -7.8 43.2 40.7 32 33 A I E -aB 128 69A 1 37,-2.6 37,-2.7 -2,-0.5 2,-0.5 -0.910 3.5-152.4-112.8 119.0 -9.7 40.1 39.6 33 34 A H E - B 0 68A 1 95,-2.4 97,-0.3 -2,-0.5 35,-0.2 -0.797 11.6-152.9-100.8 121.7 -12.7 39.1 41.7 34 35 A S - 0 0 0 33,-3.3 18,-2.4 -2,-0.5 2,-0.3 0.840 53.6-112.1 -58.9 -32.8 -13.8 35.4 41.9 35 36 A G - 0 0 6 32,-0.4 31,-3.1 16,-0.2 2,-0.3 -0.839 26.5 -97.2 129.8-164.3 -17.4 36.5 42.6 36 37 A Q - 0 0 54 -2,-0.3 14,-0.3 29,-0.2 2,-0.2 -0.928 39.1 -83.6-147.1 163.1 -19.9 36.4 45.4 37 38 A G - 0 0 42 -2,-0.3 2,-0.5 12,-0.1 12,-0.0 -0.507 39.6-144.0 -70.4 142.9 -22.8 34.4 46.6 38 39 A K - 0 0 83 9,-0.4 9,-2.5 -2,-0.2 2,-0.3 -0.974 12.0-146.7-111.7 119.8 -26.1 35.4 45.0 39 40 A R B -F 46 0B 150 -2,-0.5 7,-0.3 7,-0.2 2,-0.1 -0.661 20.1-111.9 -87.3 140.8 -29.2 35.1 47.2 40 41 A L > - 0 0 52 5,-2.6 3,-2.3 -2,-0.3 -1,-0.1 -0.448 49.1 -83.8 -66.3 142.2 -32.6 34.2 45.9 41 42 A F T 3 S- 0 0 176 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.264 110.0 -7.6 -50.8 128.0 -35.3 37.0 45.9 42 43 A L T 3 S+ 0 0 148 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.528 123.5 94.7 60.5 14.6 -37.0 37.2 49.3 43 44 A D S < S- 0 0 62 -3,-2.3 -1,-0.2 2,-0.2 -4,-0.0 -0.722 73.5-135.2-132.0 168.8 -35.2 34.1 50.3 44 45 A D S S+ 0 0 125 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.1 0.445 74.8 100.7-109.6 1.3 -32.0 32.8 52.2 45 46 A N - 0 0 100 -4,-0.1 -5,-2.6 -5,-0.1 2,-0.3 -0.389 64.1-139.2 -72.4 161.2 -31.1 30.1 49.7 46 47 A H B -F 39 0B 109 -7,-0.3 -7,-0.2 -2,-0.1 3,-0.1 -0.892 11.4-112.0-123.2 151.7 -28.3 30.9 47.1 47 48 A Y - 0 0 133 -9,-2.5 -9,-0.4 -2,-0.3 2,-0.1 -0.372 54.3 -83.1 -64.8 155.2 -27.8 30.2 43.5 48 49 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.485 54.3-108.1 -60.8 136.3 -25.0 27.8 42.6 49 50 A F - 0 0 55 -2,-0.1 2,-0.5 14,-0.1 -12,-0.1 -0.512 34.2-169.6 -74.0 132.2 -21.7 29.7 42.7 50 51 A K - 0 0 123 -2,-0.3 -14,-0.1 -14,-0.3 13,-0.1 -0.943 19.7-131.2-125.5 111.1 -20.1 30.3 39.2 51 52 A V - 0 0 17 11,-0.6 -16,-0.2 -2,-0.5 -17,-0.1 -0.220 26.9-100.3 -67.5 141.2 -16.6 31.6 39.2 52 53 A N >> - 0 0 27 -18,-2.4 4,-1.9 -19,-0.2 3,-1.4 -0.441 28.7-136.6 -52.8 121.7 -15.5 34.6 37.2 53 54 A P H 3> S+ 0 0 32 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.831 104.3 58.4 -55.1 -33.0 -13.7 33.1 34.1 54 55 A Q H 34 S+ 0 0 15 2,-0.2 4,-0.2 1,-0.2 -20,-0.1 0.706 107.6 47.8 -70.6 -23.2 -11.0 35.7 34.4 55 56 A F H X> S+ 0 0 0 -3,-1.4 3,-1.8 -22,-0.2 4,-1.2 0.924 112.0 45.5 -79.5 -51.4 -10.2 34.5 37.9 56 57 A K H 3< S+ 0 0 34 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.716 96.8 77.0 -69.7 -16.5 -10.1 30.7 37.1 57 58 A A T 3< S+ 0 0 10 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.821 107.0 32.1 -56.6 -29.6 -8.0 31.6 34.1 58 59 A W T <4 S+ 0 0 10 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.777 128.4 19.6 -93.4 -36.0 -5.1 32.0 36.7 59 60 A V < - 0 0 2 -4,-1.2 2,-1.9 2,-0.1 -1,-0.3 -0.997 69.2-120.3-150.0 140.0 -5.9 29.5 39.4 60 61 A P S S+ 0 0 21 0, 0.0 2,-0.7 0, 0.0 189,-0.1 -0.292 71.0 120.4 -84.7 53.8 -7.9 26.3 39.8 61 62 A V + 0 0 8 -2,-1.9 -2,-0.1 1,-0.1 -3,-0.1 -0.948 24.6 150.7-115.6 101.2 -10.1 27.6 42.6 62 63 A I + 0 0 48 -2,-0.7 -11,-0.6 1,-0.1 -1,-0.1 0.543 61.6 53.2-114.5 -8.9 -13.5 27.4 41.1 63 64 A D S S+ 0 0 132 -13,-0.1 -1,-0.1 1,-0.1 -14,-0.1 0.126 86.7 93.8-115.5 16.7 -15.8 26.9 44.1 64 65 A N - 0 0 21 -3,-0.0 3,-0.5 -30,-0.0 18,-0.1 -0.906 52.5-163.0-125.1 107.4 -14.7 29.8 46.3 65 66 A P S S+ 0 0 29 0, 0.0 17,-0.2 0, 0.0 -29,-0.2 -0.253 71.4 39.5 -74.7 168.8 -16.5 33.2 46.4 66 67 A N S S+ 0 0 20 -31,-3.1 2,-0.3 1,-0.2 -30,-0.1 0.756 81.1 134.8 63.0 29.7 -14.9 36.4 47.8 67 68 A C - 0 0 0 -3,-0.5 -33,-3.3 -32,-0.2 -32,-0.4 -0.835 34.3-165.2-107.3 152.3 -11.4 35.6 46.4 68 69 A W E -BC 33 80A 6 12,-2.0 12,-3.4 -2,-0.3 2,-0.4 -0.996 11.9-154.2-143.6 128.6 -9.3 38.3 44.7 69 70 A L E -BC 32 79A 0 -37,-2.7 -37,-2.6 -2,-0.4 2,-0.5 -0.862 4.9-164.0 -97.6 139.1 -6.2 38.2 42.6 70 71 A V E +BC 31 78A 22 8,-2.4 8,-2.5 -2,-0.4 2,-0.4 -0.979 22.6 170.6-120.0 113.1 -3.9 41.3 42.4 71 72 A V E +B 30 0A 2 -41,-2.2 -41,-2.4 -2,-0.5 5,-0.1 -0.950 28.8 169.9-128.3 143.8 -1.6 41.0 39.4 72 73 A N - 0 0 49 3,-0.4 -1,-0.1 -2,-0.4 4,-0.1 0.310 54.8-113.0-129.7 4.5 0.9 43.3 37.7 73 74 A G S S+ 0 0 0 2,-0.3 -54,-0.2 1,-0.1 3,-0.1 0.441 105.8 55.9 79.0 0.7 2.6 40.9 35.3 74 75 A V S S+ 0 0 106 1,-0.1 -1,-0.1 -56,-0.1 2,-0.1 0.655 93.4 57.8-126.1 -56.4 5.9 41.2 37.1 75 76 A D S S- 0 0 96 1,-0.2 -3,-0.4 -60,-0.1 -2,-0.3 -0.325 101.1 -80.3 -77.4 161.1 5.6 40.3 40.8 76 77 A K - 0 0 121 1,-0.1 -1,-0.2 -5,-0.1 27,-0.1 -0.429 61.7-105.0 -57.2 127.2 4.3 37.1 42.2 77 78 A P - 0 0 2 0, 0.0 27,-2.5 0, 0.0 2,-0.5 -0.281 29.6-128.5 -61.0 144.4 0.5 37.4 41.9 78 79 A T E -Cd 70 104A 32 -8,-2.5 -8,-2.4 25,-0.2 2,-0.5 -0.843 19.2-163.7 -93.3 131.0 -1.3 38.0 45.2 79 80 A L E -Cd 69 105A 0 25,-2.4 27,-2.7 -2,-0.5 2,-0.7 -0.962 7.2-160.2-115.9 112.5 -4.2 35.7 46.0 80 81 A I E -Cd 68 106A 0 -12,-3.4 -12,-2.0 -2,-0.5 2,-0.5 -0.853 22.8-159.9 -88.2 112.9 -6.6 36.9 48.7 81 82 A F E - d 0 107A 25 25,-3.0 27,-2.8 -2,-0.7 2,-0.4 -0.874 12.8-131.1-113.5 118.9 -8.2 33.5 49.6 82 83 A Y E + d 0 108A 44 -2,-0.5 27,-0.2 -17,-0.2 -15,-0.1 -0.535 38.6 155.1 -73.1 121.6 -11.6 33.3 51.3 83 84 A R - 0 0 34 25,-3.1 -1,-0.1 -2,-0.4 8,-0.1 -0.603 19.5-169.7-149.4 75.5 -11.5 30.9 54.3 84 85 A P - 0 0 15 0, 0.0 26,-0.1 0, 0.0 25,-0.1 -0.356 10.0-156.9 -66.6 153.8 -14.1 31.7 56.9 85 86 A E + 0 0 114 24,-0.2 6,-0.1 6,-0.1 24,-0.0 0.227 38.5 140.2-120.4 15.1 -13.7 29.9 60.2 86 87 A D > - 0 0 69 23,-0.2 3,-1.9 1,-0.1 5,-0.0 -0.199 65.5-109.9 -61.1 151.0 -17.3 30.0 61.6 87 88 A F T 3 S+ 0 0 189 1,-0.3 -1,-0.1 3,-0.0 4,-0.1 0.710 113.1 60.8 -61.8 -22.4 -18.3 26.7 63.3 88 89 A W T 3 S+ 0 0 163 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.556 91.6 87.6 -81.8 -9.5 -20.9 25.7 60.6 89 90 A H S < S- 0 0 73 -3,-1.9 2,-0.9 1,-0.0 0, 0.0 -0.655 80.6-123.0 -92.9 145.9 -18.2 25.6 57.9 90 91 A K - 0 0 179 -2,-0.3 -2,-0.1 1,-0.0 -4,-0.1 -0.781 34.4-154.0 -76.7 105.8 -15.9 22.8 56.7 91 92 A V - 0 0 53 -2,-0.9 3,-0.1 -6,-0.1 -6,-0.1 -0.773 9.1-153.5 -90.6 109.5 -12.6 24.6 57.2 92 93 A P - 0 0 56 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.294 28.8 -87.1 -73.8 164.1 -10.1 23.1 54.9 93 94 A P - 0 0 109 0, 0.0 3,-0.2 0, 0.0 0, 0.0 -0.324 63.2 -78.8 -57.0 152.9 -6.3 23.1 55.5 94 95 A E S S- 0 0 124 1,-0.2 -11,-0.0 -3,-0.1 -3,-0.0 -0.254 71.0 -77.5 -50.3 142.3 -4.6 26.3 54.3 95 96 A P + 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.217 64.2 156.9 -53.6 129.1 -4.1 26.0 50.6 96 97 A N + 0 0 145 -3,-0.2 2,-0.3 4,-0.0 -2,-0.0 -0.737 22.3 109.6-156.3 104.5 -1.2 23.7 49.6 97 98 A D S >> S- 0 0 88 -2,-0.2 3,-1.3 -93,-0.0 4,-0.6 -0.885 82.3 -63.9-163.0-178.3 -1.2 22.1 46.2 98 99 A F T 34 S+ 0 0 13 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 0.774 130.0 44.6 -54.5 -30.8 0.7 22.2 42.9 99 100 A W T >4 S+ 0 0 17 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.645 90.2 82.8 -87.9 -19.3 -0.4 25.8 42.2 100 101 A T G X4 S+ 0 0 11 -3,-1.3 3,-1.8 1,-0.3 -1,-0.2 0.790 79.7 63.4 -70.3 -31.5 0.1 27.5 45.7 101 102 A D G 3< S+ 0 0 95 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.713 94.6 66.9 -62.1 -20.4 3.9 28.2 45.3 102 103 A S G < S+ 0 0 12 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.3 0.570 100.4 56.2 -75.6 -9.2 2.9 30.6 42.4 103 104 A F S < S- 0 0 8 -3,-1.8 2,-0.8 -4,-0.1 -25,-0.2 -0.912 73.4-129.5-127.6 151.1 1.1 33.0 44.7 104 105 A D E -d 78 0A 68 -27,-2.5 -25,-2.4 -2,-0.3 2,-0.5 -0.896 43.7-152.5 -88.9 107.4 1.5 35.2 47.7 105 106 A I E -d 79 0A 48 -2,-0.8 2,-0.5 -27,-0.2 -25,-0.2 -0.749 18.4-174.1 -98.3 126.5 -1.6 33.9 49.6 106 107 A K E -d 80 0A 84 -27,-2.7 -25,-3.0 -2,-0.5 2,-0.3 -0.975 22.4-133.7-116.8 121.4 -3.5 36.1 52.1 107 108 A L E -d 81 0A 35 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.641 16.0-161.5 -81.1 134.3 -6.3 34.5 54.0 108 109 A L E +d 82 0A 0 -27,-2.8 -25,-3.1 -2,-0.3 3,-0.1 -0.967 13.8 177.9-117.5 118.1 -9.6 36.4 54.3 109 110 A Q S S+ 0 0 71 -2,-0.5 2,-0.4 1,-0.2 -24,-0.2 0.715 74.2 40.4 -91.1 -24.7 -12.0 35.4 57.0 110 111 A Q S > S- 0 0 122 1,-0.1 3,-2.0 -26,-0.1 -1,-0.2 -0.992 70.6-145.6-129.4 122.3 -14.7 38.0 56.4 111 112 A A G > S+ 0 0 35 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.870 101.4 55.2 -53.0 -40.2 -15.7 38.9 52.8 112 113 A D G 3 S+ 0 0 137 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.537 95.7 68.8 -75.2 -3.1 -16.4 42.6 53.9 113 114 A A G X + 0 0 31 -3,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.300 65.0 107.4 -94.4 7.0 -12.8 42.9 55.3 114 115 A V G X> + 0 0 5 -3,-1.2 3,-2.2 1,-0.3 4,-0.6 0.752 56.8 79.0 -63.4 -26.2 -11.1 42.7 51.8 115 116 A E G >4 S+ 0 0 74 -3,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.830 82.6 66.3 -52.1 -33.5 -10.1 46.4 51.7 116 117 A K G <4 S+ 0 0 144 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 105.7 41.8 -64.5 -19.5 -7.1 45.7 54.0 117 118 A F G <4 S+ 0 0 56 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.465 99.9 90.0-103.1 -6.4 -5.4 43.6 51.3 118 119 A L S << S- 0 0 14 -3,-1.1 4,-0.1 -4,-0.6 -48,-0.0 -0.485 89.9 -79.5 -90.8 160.7 -6.2 45.8 48.3 119 120 A P - 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0 0 8 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.327 9.1-137.6 -64.6 132.9 -11.8 47.9 30.7 146 147 A D H > S+ 0 0 112 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.846 100.6 55.8 -57.8 -39.0 -12.4 46.9 27.0 147 148 A R H > S+ 0 0 158 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.897 111.9 43.3 -64.7 -37.2 -8.8 47.1 26.0 148 149 A V H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.959 117.6 43.9 -70.8 -52.4 -7.8 44.7 28.6 149 150 A L H X S+ 0 0 28 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.900 111.8 52.5 -66.2 -38.8 -10.6 42.2 28.1 150 151 A H H X S+ 0 0 62 -4,-3.0 4,-1.9 -5,-0.2 206,-0.3 0.898 113.4 45.2 -62.1 -40.2 -10.4 42.3 24.3 151 152 A Y H X S+ 0 0 25 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.943 116.1 44.3 -66.9 -51.5 -6.7 41.5 24.5 152 153 A L H X S+ 0 0 18 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 113.4 51.5 -62.1 -42.0 -7.1 38.7 27.1 153 154 A H H X S+ 0 0 47 -4,-3.1 4,-0.5 -5,-0.2 -1,-0.2 0.914 109.0 51.2 -62.0 -40.3 -10.1 37.2 25.3 154 155 A Y H >< S+ 0 0 40 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.921 111.8 46.4 -61.7 -41.9 -8.1 37.2 22.0 155 156 A Q H >< S+ 0 0 32 -4,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.767 94.5 76.6 -76.2 -24.6 -5.2 35.4 23.6 156 157 A R H 3< S+ 0 0 9 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.722 81.5 71.6 -55.9 -24.3 -7.5 32.9 25.4 157 158 A A T << S+ 0 0 0 -3,-1.1 2,-0.8 -4,-0.5 222,-0.4 0.763 87.6 68.5 -58.0 -28.5 -7.8 31.1 22.0 158 159 A Y S < S- 0 0 35 -3,-2.2 2,-0.2 -4,-0.2 220,-0.2 -0.849 82.0-150.9-104.9 104.3 -4.2 29.9 22.3 159 160 A K - 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