==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-05 2D2J . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR C.JACKSON,H.K.KIM,P.D.CARR,J.W.LIU,D.L.OLLIS . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.3 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 0 3 2 1 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 33 A T 0 0 178 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.0 49.3 32.1 -25.5 2 34 A G + 0 0 64 1,-0.3 2,-0.1 0, 0.0 0, 0.0 -0.279 360.0 107.5 104.3 -48.6 46.4 34.4 -26.2 3 35 A D - 0 0 81 -2,-0.3 11,-2.6 10,-0.1 12,-0.4 -0.375 52.5-157.7 -72.4 146.8 43.4 32.7 -24.6 4 36 A L E -A 13 0A 88 9,-0.3 2,-0.4 10,-0.1 -1,-0.0 -0.899 14.0-159.3-128.4 151.3 42.0 34.1 -21.4 5 37 A I E -A 12 0A 10 7,-2.5 7,-2.2 -2,-0.3 2,-0.4 -0.980 25.8-118.8-127.2 143.7 40.0 33.1 -18.4 6 38 A N E +A 11 0A 51 -2,-0.4 2,-0.3 5,-0.2 88,-0.2 -0.666 33.7 176.9 -82.2 130.5 38.0 35.3 -16.0 7 39 A T E > -A 10 0A 3 3,-1.8 3,-2.0 -2,-0.4 125,-0.4 -0.781 48.0 -97.4-121.0 173.0 39.0 35.5 -12.3 8 40 A V T 3 S+ 0 0 6 84,-2.7 85,-0.1 1,-0.3 74,-0.1 0.619 127.8 48.3 -66.8 -13.7 37.7 37.5 -9.3 9 41 A R T 3 S- 0 0 108 1,-0.4 -1,-0.3 83,-0.3 84,-0.1 0.319 126.1 -94.7-103.2 6.1 40.7 39.9 -9.9 10 42 A G E < S-A 7 0A 24 -3,-2.0 -3,-1.8 122,-0.1 -1,-0.4 -0.687 70.2 -12.0 111.8-168.3 40.0 40.2 -13.7 11 43 A P E -A 6 0A 92 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.381 55.3-177.6 -70.0 142.8 41.3 38.4 -16.9 12 44 A I E -A 5 0A 15 -7,-2.2 -7,-2.5 -2,-0.1 2,-0.2 -0.977 34.9-100.6-131.1 150.8 44.3 36.2 -16.8 13 45 A P E > -A 4 0A 44 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.529 31.1-125.8 -64.2 138.2 46.1 34.3 -19.6 14 46 A V G > S+ 0 0 21 -11,-2.6 3,-1.9 1,-0.3 4,-0.4 0.876 110.0 62.7 -47.5 -43.1 45.1 30.6 -19.6 15 47 A S G 3 S+ 0 0 91 -12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.628 96.9 57.9 -65.1 -13.8 48.9 29.7 -19.5 16 48 A E G < S+ 0 0 106 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.482 80.8 86.0 -92.7 -4.8 49.2 31.5 -16.1 17 49 A A < + 0 0 2 -3,-1.9 47,-0.2 -4,-0.3 -1,-0.2 0.895 66.1 164.1 -60.2 -41.4 46.5 29.3 -14.4 18 50 A G + 0 0 10 -4,-0.4 2,-0.5 -3,-0.2 -1,-0.1 -0.201 55.4 13.4 60.0-149.5 49.2 26.7 -13.6 19 51 A F S S- 0 0 27 43,-0.4 45,-2.7 303,-0.1 46,-1.7 -0.479 85.6-170.7 -61.2 114.7 48.5 24.0 -11.0 20 52 A T E -b 65 0B 3 298,-2.2 2,-0.6 -2,-0.5 246,-0.3 -0.944 26.8-150.7-124.0 127.5 44.7 24.4 -10.7 21 53 A L E -b 66 0B 0 44,-2.4 46,-2.6 -2,-0.4 3,-0.2 -0.883 16.6-164.5 -93.4 116.6 42.2 22.8 -8.2 22 54 A T E S+ 0 0 6 244,-0.8 2,-0.3 -2,-0.6 245,-0.1 0.494 71.2 41.4 -91.4 -6.6 38.9 22.6 -10.1 23 55 A H E S+ 0 0 3 243,-0.2 246,-2.2 45,-0.1 245,-0.5 -0.780 78.4 123.7-142.1 97.1 36.3 22.1 -7.4 24 56 A E E -b 68 0B 0 43,-2.1 45,-2.1 -2,-0.3 2,-0.3 -0.889 38.3-146.4-143.7 169.5 36.8 24.1 -4.2 25 57 A H - 0 0 14 245,-1.4 247,-0.2 -2,-0.3 3,-0.2 -0.992 15.9-160.0-142.3 137.0 35.0 26.6 -1.9 26 58 A I S S+ 0 0 0 1,-0.3 246,-2.4 -2,-0.3 247,-0.7 0.924 94.5 0.1 -70.4 -46.2 36.1 29.6 0.2 27 59 A C E -d 273 0C 13 245,-0.2 2,-0.8 244,-0.2 -1,-0.3 -0.983 62.1-147.7-147.7 129.0 32.8 29.2 2.2 28 60 A G E +d 274 0C 4 245,-2.6 247,-2.6 -2,-0.4 248,-1.1 -0.871 54.3 116.7 -95.6 107.0 29.9 26.7 1.9 29 61 A S - 0 0 2 45,-2.5 2,-0.3 -2,-0.8 46,-0.2 -0.390 59.0 -82.8-143.2-145.1 26.8 28.7 3.0 30 62 A S >> - 0 0 32 45,-0.2 3,-2.2 -2,-0.1 4,-0.5 -0.969 53.3 -74.7-141.4 154.0 23.5 30.0 1.7 31 63 A A T 34 S- 0 0 44 -2,-0.3 42,-0.1 1,-0.3 46,-0.1 -0.203 117.3 -0.1 -50.2 129.6 22.4 33.1 -0.3 32 64 A G T 3> S+ 0 0 52 44,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.333 100.1 113.3 74.8 -6.6 22.5 36.2 2.0 33 65 A F H <> S+ 0 0 46 -3,-2.2 4,-2.8 1,-0.2 -2,-0.1 0.899 72.2 50.1 -69.3 -45.7 23.7 34.3 5.0 34 66 A L H < S+ 0 0 11 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.885 114.4 47.2 -59.6 -38.9 27.2 35.8 5.4 35 67 A R H 4 S+ 0 0 180 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.870 118.9 39.8 -67.2 -40.1 25.6 39.3 5.2 36 68 A A H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.811 132.7 16.2 -83.4 -31.1 22.8 38.5 7.7 37 69 A W >< + 0 0 138 -4,-2.8 3,-1.8 -5,-0.2 4,-0.3 -0.357 62.2 153.6-145.6 59.1 24.7 36.4 10.3 38 70 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 9,-0.1 0.776 70.8 72.5 -63.2 -26.8 28.6 36.8 10.0 39 71 A E G > S+ 0 0 125 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.698 78.3 76.0 -61.2 -21.6 28.9 36.0 13.7 40 72 A F G < S+ 0 0 67 -3,-1.8 -1,-0.3 1,-0.3 3,-0.1 0.870 101.5 41.6 -52.6 -35.7 28.1 32.4 12.8 41 73 A F G < S- 0 0 30 -3,-1.8 2,-1.6 -4,-0.3 -1,-0.3 0.064 125.5-103.2 -96.9 19.7 31.7 32.3 11.5 42 74 A G S < S- 0 0 55 -3,-2.1 2,-0.3 4,-0.1 -1,-0.1 -0.583 89.9 -30.3 82.9 -70.3 33.1 34.2 14.4 43 75 A S > - 0 0 47 -2,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.954 58.7-105.1-163.0 165.7 33.2 37.2 12.1 44 76 A R H > S+ 0 0 81 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.918 123.0 54.5 -59.4 -41.9 33.7 38.0 8.4 45 77 A K H > S+ 0 0 150 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 108.5 46.7 -57.8 -47.7 37.2 39.2 9.4 46 78 A A H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 112.0 51.0 -63.7 -41.1 38.0 35.9 11.0 47 79 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.951 111.7 46.8 -60.0 -49.3 36.6 33.9 8.1 48 80 A A H X S+ 0 0 5 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.913 112.1 50.6 -56.5 -47.3 38.7 36.0 5.6 49 81 A E H X S+ 0 0 94 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.926 111.1 48.0 -60.4 -47.5 41.9 35.5 7.7 50 82 A K H X S+ 0 0 59 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.893 113.0 48.7 -57.5 -46.2 41.4 31.8 8.0 51 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.896 110.1 50.9 -60.8 -43.0 40.9 31.6 4.2 52 84 A V H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.943 111.1 48.5 -62.5 -44.8 44.0 33.7 3.5 53 85 A R H X S+ 0 0 149 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.938 113.7 48.1 -57.8 -48.7 46.1 31.4 5.7 54 86 A G H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.896 112.5 45.9 -58.8 -46.4 44.6 28.3 3.9 55 87 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.866 110.6 54.0 -68.2 -36.4 45.2 29.6 0.4 56 88 A R H X S+ 0 0 139 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.897 108.1 50.5 -63.2 -39.1 48.8 30.7 1.3 57 89 A H H X S+ 0 0 77 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.939 111.8 46.9 -62.4 -48.0 49.5 27.2 2.5 58 90 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.3 0.921 111.7 52.1 -56.0 -44.3 48.1 25.7 -0.8 59 91 A R H ><5S+ 0 0 99 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.907 105.4 53.6 -60.3 -45.6 50.2 28.3 -2.7 60 92 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.2 53.0 -58.1 -35.6 53.4 27.2 -0.8 61 93 A A T 3<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.432 132.3 -93.4 -80.6 -3.0 52.6 23.6 -1.9 62 94 A G T < 5S+ 0 0 34 -3,-1.8 -43,-0.4 1,-0.3 2,-0.4 0.451 76.4 142.5 106.6 3.7 52.4 24.8 -5.5 63 95 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.2 -43,-0.2 -0.628 17.1 172.3 -73.7 128.5 48.7 25.5 -6.1 64 96 A Q + 0 0 85 -45,-2.7 27,-2.2 -2,-0.4 2,-0.3 0.685 61.4 22.6-108.5 -25.4 48.3 28.6 -8.3 65 97 A T E -bc 20 91B 0 -46,-1.7 -44,-2.4 25,-0.2 2,-0.4 -0.998 55.7-167.3-145.7 139.1 44.6 28.7 -9.0 66 98 A I E -bc 21 92B 0 25,-2.4 27,-2.2 -2,-0.3 2,-0.7 -0.962 18.6-138.8-121.8 151.1 41.4 27.4 -7.5 67 99 A V E - c 0 93B 0 -46,-2.6 -43,-2.1 -2,-0.4 2,-1.0 -0.946 15.1-152.9-104.6 110.2 37.9 27.2 -9.0 68 100 A D E -b 24 0B 1 25,-2.3 27,-0.4 -2,-0.7 -43,-0.2 -0.773 9.9-171.2 -82.9 104.2 35.4 28.3 -6.4 69 101 A V + 0 0 0 -45,-2.1 2,-0.5 -2,-1.0 -1,-0.1 0.092 35.9 135.5 -89.9 25.7 32.3 26.4 -7.6 70 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.619 39.3-160.8 -72.7 122.2 30.0 28.2 -5.0 71 103 A T > > - 0 0 0 -2,-0.5 5,-1.9 23,-0.1 3,-1.4 -0.400 39.7 -82.7 -89.0 176.1 26.8 29.2 -6.8 72 104 A F G > 5S+ 0 0 62 25,-0.6 3,-1.4 1,-0.2 26,-0.1 0.902 132.5 48.1 -38.1 -51.5 24.3 31.8 -5.8 73 105 A D G 3 5S+ 0 0 1 1,-0.3 -42,-0.3 24,-0.3 -1,-0.2 0.529 101.1 62.2 -84.5 -5.5 22.6 29.2 -3.5 74 106 A I G < 5S- 0 0 5 -3,-1.4 -45,-2.5 -44,-0.2 -1,-0.3 0.367 121.4-110.8 -86.9 2.1 25.9 28.1 -1.9 75 107 A G T < 5 - 0 0 13 -3,-1.4 -45,-0.2 -4,-0.3 -3,-0.2 0.762 44.5-167.3 71.8 26.2 26.0 31.8 -0.7 76 108 A R < - 0 0 14 -5,-1.9 2,-0.6 -47,-0.1 -44,-0.2 -0.191 7.1-164.0 -39.1 123.9 28.9 32.8 -3.0 77 109 A D > - 0 0 14 1,-0.1 4,-2.0 -50,-0.1 3,-0.4 -0.891 4.5-171.8-117.9 93.7 30.2 36.2 -1.8 78 110 A V H > S+ 0 0 0 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.846 83.6 58.0 -63.1 -31.0 32.4 37.4 -4.8 79 111 A R H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 106.7 49.2 -60.8 -43.2 33.7 40.4 -2.8 80 112 A L H > S+ 0 0 2 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.924 110.5 50.6 -58.5 -46.8 35.1 37.9 -0.2 81 113 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.930 110.4 49.4 -58.4 -45.1 36.7 35.8 -2.9 82 114 A A H X S+ 0 0 25 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 111.7 49.4 -60.6 -43.0 38.3 38.9 -4.4 83 115 A E H X S+ 0 0 102 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 115.0 41.6 -62.7 -48.3 39.7 40.0 -1.0 84 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.863 112.8 54.4 -72.2 -35.3 41.2 36.6 -0.1 85 117 A S H X>S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.3 5,-1.2 0.934 111.6 46.1 -59.2 -48.9 42.5 36.1 -3.7 86 118 A R H <5S+ 0 0 182 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.918 115.1 45.5 -59.0 -49.3 44.3 39.4 -3.5 87 119 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.852 121.8 36.2 -67.8 -35.3 45.7 38.8 0.1 88 120 A A H <5S- 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.557 100.4-130.1 -93.2 -9.2 46.9 35.2 -0.6 89 121 A D T <5 + 0 0 77 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.930 63.2 130.2 51.3 52.9 48.0 35.8 -4.3 90 122 A V < - 0 0 2 -5,-1.2 -1,-0.2 -6,-0.2 -25,-0.2 -0.999 60.7-118.0-129.4 130.5 46.1 32.8 -5.6 91 123 A H E -c 65 0B 39 -27,-2.2 -25,-2.4 -2,-0.4 2,-0.4 -0.402 27.7-163.0 -64.6 141.3 43.8 33.1 -8.7 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.7 -2,-0.1 2,-0.5 -0.987 7.1-156.8-130.3 122.5 40.1 32.3 -8.0 93 125 A V E -c 67 0B 1 -27,-2.2 -25,-2.3 -2,-0.4 2,-0.2 -0.852 19.3-144.9 -92.8 127.9 37.7 31.5 -10.8 94 126 A A - 0 0 0 -2,-0.5 40,-2.6 38,-0.4 41,-0.7 -0.548 11.4-135.9 -93.4 164.6 34.0 32.2 -9.7 95 127 A A E -e 135 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.828 14.3-166.2-120.6 153.1 30.9 30.3 -10.7 96 128 A T E +e 136 0D 0 39,-2.3 41,-2.9 -2,-0.3 2,-0.2 -0.478 48.6 79.2-111.1-167.0 27.4 30.8 -11.9 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.4 -0.548 76.1 -80.7 103.4-170.0 24.7 28.1 -12.0 98 130 A L - 0 0 2 39,-1.1 41,-0.5 -2,-0.2 -2,-0.0 -0.996 29.8-160.0-140.8 136.7 22.5 26.6 -9.3 99 131 A W - 0 0 40 -2,-0.4 40,-0.3 39,-0.2 -25,-0.0 0.066 51.6 -72.9 -90.5-154.5 23.3 23.9 -6.7 100 132 A F S S+ 0 0 81 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.213 118.0 66.4-100.9 19.7 20.6 21.8 -4.8 101 133 A D + 0 0 84 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.178 63.4 158.7-126.2 44.0 19.3 24.5 -2.4 102 134 A P - 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0 0 0 -47,-1.9 -44,-1.7 -2,-0.4 -243,-0.1 -0.910 47.5-123.5-160.0-174.8 40.4 18.5 -6.3 268 300 A H - 0 0 0 -245,-0.5 -244,-0.2 -2,-0.2 -43,-0.1 0.613 28.2-136.8-111.6 -25.4 39.4 18.5 -2.6 269 301 A D + 0 0 16 -246,-2.2 -245,-0.2 1,-0.1 -47,-0.1 0.889 53.3 160.8 56.9 38.4 35.9 20.1 -2.3 270 302 A W - 0 0 4 -247,-0.3 -245,-1.4 -243,-0.0 2,-0.3 -0.302 21.3-174.4 -82.9 171.2 37.4 21.9 0.7 271 303 A L - 0 0 7 -247,-0.1 -244,-0.2 -3,-0.1 -245,-0.2 -0.974 30.6-141.7-158.2 166.1 36.3 25.1 2.4 272 304 A F S S+ 0 0 10 -246,-2.4 2,-0.3 1,-0.3 -245,-0.2 0.547 92.9 26.4-108.5 -13.8 37.2 27.5 5.2 273 305 A G E -d 27 0C 4 -247,-0.7 -245,-2.6 -248,-0.1 -1,-0.3 -0.977 63.8-173.8-145.2 153.7 33.7 28.1 6.5 274 306 A F E +d 28 0C 27 -2,-0.3 8,-0.3 -247,-0.2 7,-0.2 -0.790 20.9 152.2-157.9 97.5 30.7 25.9 6.4 275 307 A S + 0 0 19 -247,-2.6 -246,-0.2 -2,-0.3 -1,-0.1 0.543 62.6 79.4-106.0 -11.5 27.2 26.9 7.6 276 308 A S S S+ 0 0 45 -248,-1.1 2,-0.2 -202,-0.1 -1,-0.1 0.204 98.6 38.8 -85.6 15.3 25.0 24.6 5.3 277 309 A Y S S- 0 0 77 1,-0.2 3,-0.1 -249,-0.2 -3,-0.0 -0.625 109.3 -33.7-140.4-158.8 25.6 21.5 7.5 278 310 A V S > S- 0 0 60 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.245 71.6 -92.6 -68.1 154.1 25.8 20.7 11.3 279 311 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 -4,-0.1 -0.354 110.5 16.6 -64.4 143.8 27.4 23.3 13.7 280 312 A N T 3> S+ 0 0 111 -6,-0.1 4,-1.5 1,-0.1 3,-0.5 0.554 80.9 129.4 67.4 8.8 31.2 22.8 14.3 281 313 A I H <> + 0 0 2 -3,-1.5 4,-2.7 -7,-0.2 5,-0.2 0.851 69.4 61.6 -56.7 -33.5 31.5 20.5 11.2 282 314 A M H > S+ 0 0 21 -8,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.867 101.0 51.8 -62.3 -37.4 34.5 22.8 10.2 283 315 A D H > S+ 0 0 78 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.910 109.5 48.9 -65.5 -43.9 36.3 21.8 13.4 284 316 A V H X S+ 0 0 15 -4,-1.5 4,-2.0 2,-0.2 3,-0.4 0.951 113.6 47.4 -57.6 -50.3 35.8 18.1 12.6 285 317 A M H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.887 107.9 54.4 -59.7 -43.6 37.1 18.7 9.0 286 318 A D H < S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.2 49.6 -63.8 -28.9 40.1 20.7 10.1 287 319 A R H < S+ 0 0 173 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.890 111.9 46.7 -74.2 -42.5 41.1 17.7 12.4 288 320 A I H < S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.861 132.3 17.3 -64.6 -38.1 40.8 15.2 9.6 289 321 A N >< + 0 0 5 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 -0.586 61.0 168.5-141.1 75.3 42.8 17.3 7.1 290 322 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.804 79.9 65.7 -59.4 -26.7 44.8 20.1 8.7 291 323 A D T > S+ 0 0 45 1,-0.2 3,-2.4 2,-0.1 4,-0.2 0.624 79.8 179.5 -69.5 -14.0 46.6 20.6 5.3 292 324 A G G X + 0 0 6 -3,-2.1 3,-1.5 1,-0.3 4,-0.2 -0.223 69.1 2.2 50.7-122.9 43.3 21.8 3.7 293 325 A M G 3 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.412 127.0 66.3 -80.6 1.0 43.8 22.7 0.0 294 326 A A G <> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.1 -1,-0.3 0.420 75.9 92.5 -90.1 -2.7 47.5 21.7 0.1 295 327 A F H <>>S+ 0 0 15 -3,-1.5 4,-2.7 -4,-0.2 5,-1.3 0.912 80.8 52.5 -60.7 -45.9 46.5 18.1 0.7 296 328 A V H 4>S+ 0 0 1 -4,-0.2 5,-2.7 1,-0.2 4,-0.3 0.965 115.7 37.9 -55.4 -58.2 46.5 17.1 -3.0 297 329 A P H 45S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.850 122.3 44.3 -62.9 -32.6 50.1 18.4 -3.7 298 330 A L H <5S+ 0 0 77 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.822 134.5 6.8 -82.5 -33.7 51.5 17.2 -0.4 299 331 A R T X5S+ 0 0 139 -4,-2.7 4,-1.8 -5,-0.2 -3,-0.2 0.740 127.1 46.7-117.8 -51.2 49.9 13.7 -0.1 300 332 A V H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.877 110.1 56.4 -58.6 -38.5 53.6 11.9 -4.1 303 335 A F H X S+ 0 0 29 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.922 111.1 43.9 -55.1 -47.9 51.3 8.8 -3.5 304 336 A L H <>S+ 0 0 2 -4,-2.3 5,-2.3 2,-0.2 -1,-0.2 0.878 111.6 53.0 -66.7 -39.1 50.8 8.6 -7.3 305 337 A R H ><5S+ 0 0 129 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.923 107.8 51.4 -62.4 -41.9 54.4 9.3 -8.1 306 338 A E H 3<5S+ 0 0 160 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.744 104.2 57.7 -70.8 -24.1 55.4 6.4 -5.8 307 339 A K T 3<5S- 0 0 102 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.359 128.4 -99.4 -79.7 1.1 52.9 4.1 -7.6 308 340 A G T < 5 + 0 0 56 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.554 68.8 152.2 93.7 8.2 54.9 4.9 -10.8 309 341 A V < - 0 0 6 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.617 49.4-117.4 -70.3 124.8 52.8 7.6 -12.5 310 342 A P >> - 0 0 58 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.278 13.1-119.9 -63.8 149.3 55.3 9.7 -14.6 311 343 A P H 3> S+ 0 0 83 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.861 114.3 56.7 -54.4 -39.4 55.9 13.4 -13.7 312 344 A E H 3> S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 107.6 47.9 -61.7 -38.4 54.7 14.4 -17.3 313 345 A T H <> S+ 0 0 25 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.920 111.3 49.2 -69.6 -43.2 51.4 12.6 -16.7 314 346 A L H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.895 111.4 50.0 -64.1 -41.5 50.9 14.2 -13.3 315 347 A A H X>S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 5,-1.2 0.880 108.6 53.3 -60.7 -41.1 51.6 17.7 -14.8 316 348 A G H <>S+ 0 0 21 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.875 111.9 45.6 -61.3 -38.5 49.1 16.9 -17.6 317 349 A V H <5S+ 0 0 4 -4,-2.0 -51,-0.3 3,-0.2 -2,-0.2 0.921 121.6 34.4 -72.3 -43.6 46.4 16.1 -15.0 318 350 A T H <5S+ 0 0 11 -4,-2.3 -298,-2.2 -5,-0.1 -2,-0.2 0.626 136.0 16.2 -90.9 -19.1 47.0 19.1 -12.7 319 351 A V T X5S+ 0 0 56 -4,-2.2 4,-1.9 -5,-0.2 -3,-0.2 0.718 125.2 41.5-117.3 -59.4 47.9 21.8 -15.3 320 352 A A H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.892 112.6 53.7 -55.7 -39.2 42.3 22.4 -16.2 323 355 A A H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 111.5 43.1 -59.8 -49.0 43.7 24.8 -18.8 324 356 A R H < S+ 0 0 120 -4,-2.3 -1,-0.2 2,-0.2 -3,-0.1 0.889 117.0 49.1 -63.1 -39.4 41.8 23.0 -21.7 325 357 A F H < S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.951 115.5 40.6 -67.4 -49.7 38.7 22.7 -19.6 326 358 A L H < S+ 0 0 6 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.773 89.0 101.6 -75.0 -29.3 38.6 26.4 -18.4 327 359 A S S < S- 0 0 16 -4,-2.1 2,-0.1 -5,-0.2 -322,-0.1 -0.398 87.4-110.2 -58.5 121.9 39.6 28.0 -21.8 328 360 A P 0 0 51 0, 0.0 -164,-0.2 0, 0.0 -165,-0.2 -0.407 360.0 360.0 -60.6 129.5 36.4 29.3 -23.4 329 361 A T 0 0 114 -166,-1.6 -166,-0.2 -4,-0.1 -167,-0.1 -0.957 360.0 360.0-140.3 360.0 35.7 27.0 -26.4