==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-09 3A3W . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR D.L.OLLIS,D.S.TAWFIK,G.SCHENK,C.J.JACKSON,J.L.FOO, . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 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 . 109 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 4.0 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 2 1 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 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 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 0 165 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.9 49.5 31.9 -24.3 2 34 A G + 0 0 64 1,-0.3 2,-0.1 0, 0.0 0, 0.0 -0.203 360.0 107.6 101.6 -44.9 46.6 34.1 -25.4 3 35 A D - 0 0 89 -2,-0.2 11,-2.6 10,-0.0 12,-0.4 -0.469 54.7-156.9 -63.4 139.7 43.6 32.3 -23.8 4 36 A L E -A 13 0A 96 9,-0.3 2,-0.4 -2,-0.1 -1,-0.0 -0.917 11.1-162.4-122.3 148.0 42.1 34.2 -20.8 5 37 A I E -A 12 0A 8 7,-2.6 7,-2.3 -2,-0.3 2,-0.4 -0.987 23.2-119.7-124.8 140.7 40.1 33.2 -17.8 6 38 A N E +A 11 0A 49 -2,-0.4 88,-0.2 5,-0.2 2,-0.2 -0.650 34.0 176.2 -76.8 129.6 38.0 35.3 -15.4 7 39 A T E > -A 10 0A 2 3,-1.8 3,-1.9 -2,-0.4 125,-0.4 -0.741 48.5 -97.7-119.6 172.3 39.0 35.3 -11.8 8 40 A V T 3 S+ 0 0 4 84,-2.7 85,-0.1 1,-0.3 74,-0.1 0.557 127.3 47.8 -71.0 -9.8 37.6 37.3 -8.8 9 41 A R T 3 S- 0 0 91 1,-0.5 -1,-0.3 83,-0.3 84,-0.1 0.220 125.9 -91.4-108.0 13.1 40.5 39.7 -9.3 10 42 A G E < -A 7 0A 24 -3,-1.9 -3,-1.8 122,-0.1 -1,-0.5 -0.636 69.8 -15.6 110.6-174.8 40.0 40.0 -13.0 11 43 A P E -A 6 0A 91 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.449 57.0-177.7 -69.7 137.6 41.2 38.4 -16.2 12 44 A I E -A 5 0A 15 -7,-2.3 -7,-2.6 -2,-0.1 2,-0.2 -0.967 35.2 -98.7-129.2 153.1 44.3 36.2 -16.2 13 45 A P E > -A 4 0A 44 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.527 30.7-129.5 -64.0 134.5 46.3 34.3 -18.8 14 46 A V G > S+ 0 0 16 -11,-2.6 3,-1.9 1,-0.3 4,-0.5 0.864 108.6 61.8 -48.4 -40.6 45.2 30.6 -18.8 15 47 A S G 3 S+ 0 0 81 -12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.642 98.1 57.1 -69.4 -15.0 48.9 29.7 -18.7 16 48 A E G < S+ 0 0 106 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.489 81.7 84.1 -90.4 -4.8 49.2 31.5 -15.4 17 49 A A < + 0 0 2 -3,-1.9 47,-0.2 -4,-0.3 -2,-0.2 0.908 67.6 164.4 -64.6 -35.1 46.5 29.4 -13.7 18 50 A G + 0 0 10 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.1 -0.227 54.8 17.6 57.1-144.9 49.3 26.7 -12.9 19 51 A F S S- 0 0 27 43,-0.4 45,-2.8 303,-0.1 46,-2.0 -0.422 86.1-170.5 -62.8 113.4 48.5 24.0 -10.3 20 52 A T E -b 65 0B 4 298,-2.5 2,-0.7 -2,-0.3 246,-0.3 -0.960 27.5-152.5-123.4 128.7 44.7 24.3 -10.1 21 53 A L E -b 66 0B 0 44,-2.4 46,-2.7 -2,-0.4 3,-0.2 -0.891 16.2-165.6 -94.0 114.1 42.1 22.7 -7.7 22 54 A T E S+ 0 0 5 244,-0.7 2,-0.3 -2,-0.7 245,-0.1 0.548 71.4 40.5 -90.0 -6.9 38.9 22.5 -9.8 23 55 A H E S+ 0 0 3 243,-0.2 246,-2.0 45,-0.1 245,-0.5 -0.764 78.4 122.9-142.6 96.4 36.3 21.9 -7.1 24 56 A E E -b 68 0B 0 43,-2.1 45,-1.9 -2,-0.3 2,-0.4 -0.875 39.9-145.4-142.0 167.8 36.7 23.8 -3.8 25 57 A H - 0 0 8 245,-1.5 3,-0.2 -2,-0.3 247,-0.2 -0.994 12.6-160.8-136.3 139.0 34.8 26.3 -1.6 26 58 A I S S- 0 0 0 -2,-0.4 246,-2.7 1,-0.3 247,-0.7 0.934 93.5 -1.7 -70.6 -49.0 35.9 29.2 0.5 27 59 A C E -d 273 0C 9 245,-0.2 2,-0.8 244,-0.2 -1,-0.3 -0.981 63.3-150.1-145.4 125.2 32.6 29.0 2.4 28 60 A A E +d 274 0C 7 245,-2.5 247,-1.6 -2,-0.4 248,-1.1 -0.876 51.5 122.0 -96.3 111.2 29.7 26.6 1.9 29 61 A S - 0 0 1 45,-2.6 2,-0.3 -2,-0.8 46,-0.2 -0.374 57.8 -84.0-141.3-143.6 26.7 28.6 3.0 30 62 A S >> - 0 0 31 45,-0.3 3,-2.0 44,-0.2 4,-0.5 -0.967 53.4 -75.2-142.2 155.2 23.3 29.8 1.7 31 63 A A T 34 S+ 0 0 42 -2,-0.3 42,-0.1 1,-0.3 46,-0.1 -0.207 117.4 1.0 -51.2 132.7 22.2 32.9 -0.3 32 64 A G T 3> S+ 0 0 53 44,-0.2 4,-2.0 40,-0.1 -1,-0.3 0.264 100.9 110.1 77.2 -12.5 22.3 35.9 1.9 33 65 A F H <> S+ 0 0 45 -3,-2.0 4,-2.8 1,-0.2 -2,-0.1 0.910 72.1 51.9 -72.0 -46.8 23.5 34.1 5.1 34 66 A L H < S+ 0 0 9 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.880 115.3 45.2 -56.8 -36.4 27.0 35.5 5.4 35 67 A R H 4 S+ 0 0 187 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 118.4 41.2 -73.5 -41.6 25.5 39.0 5.2 36 68 A A H < S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.783 132.3 18.8 -78.3 -27.0 22.6 38.3 7.6 37 69 A W >< + 0 0 137 -4,-2.8 3,-1.6 -5,-0.2 4,-0.3 -0.362 62.0 153.0-147.4 60.1 24.5 36.3 10.2 38 70 A P G > S+ 0 0 30 0, 0.0 3,-2.1 0, 0.0 9,-0.1 0.812 72.4 70.3 -63.0 -28.3 28.4 36.7 10.0 39 71 A E G > S+ 0 0 125 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.678 79.5 76.4 -64.7 -20.2 28.7 35.9 13.7 40 72 A F G < S+ 0 0 61 -3,-1.6 -1,-0.3 1,-0.3 3,-0.1 0.807 100.4 42.4 -52.9 -32.3 27.8 32.3 12.9 41 73 A F G < S- 0 0 30 -3,-2.1 2,-1.5 -4,-0.3 -1,-0.3 0.045 128.3-100.0-101.8 21.8 31.4 32.0 11.6 42 74 A G S < S- 0 0 55 -3,-1.8 2,-0.3 4,-0.1 3,-0.1 -0.595 91.2 -30.1 84.0 -68.4 32.7 33.9 14.6 43 75 A S > - 0 0 46 -2,-1.5 4,-1.8 1,-0.1 5,-0.1 -0.946 61.5-103.7-163.2 166.5 32.9 37.0 12.4 44 76 A R H > S+ 0 0 76 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.917 123.7 54.5 -60.3 -42.5 33.4 37.8 8.7 45 77 A K H > S+ 0 0 152 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 106.5 49.6 -58.5 -43.1 36.9 38.9 9.7 46 78 A A H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 111.3 50.5 -64.3 -38.1 37.7 35.5 11.4 47 79 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.4 48.3 -65.4 -44.5 36.4 33.7 8.2 48 80 A V H X S+ 0 0 12 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.943 113.1 48.9 -57.9 -48.0 38.6 35.8 5.9 49 81 A E H X S+ 0 0 92 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.881 111.9 47.5 -64.3 -43.0 41.6 35.1 8.2 50 82 A K H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 114.7 47.1 -60.7 -45.6 41.0 31.4 8.3 51 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.880 111.6 49.9 -64.4 -43.4 40.5 31.2 4.5 52 84 A V H X S+ 0 0 9 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.919 111.5 48.4 -64.7 -41.6 43.7 33.3 3.8 53 85 A R H X S+ 0 0 148 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 113.5 48.9 -60.4 -47.5 45.8 31.1 6.1 54 86 A G H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 113.9 44.0 -57.1 -47.8 44.4 28.0 4.4 55 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.846 110.4 54.8 -73.3 -33.2 45.0 29.3 0.9 56 88 A R H X S+ 0 0 142 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.870 108.8 50.2 -63.4 -35.9 48.5 30.5 1.9 57 89 A H H X S+ 0 0 76 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.938 112.0 46.6 -63.9 -47.6 49.2 27.0 3.0 58 90 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-0.2 0.902 112.3 50.8 -58.9 -44.1 47.9 25.6 -0.3 59 91 A R H ><5S+ 0 0 96 -4,-2.7 3,-1.7 3,-0.2 -2,-0.2 0.913 106.6 53.3 -61.2 -43.6 50.0 28.2 -2.2 60 92 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.8 53.8 -60.6 -33.7 53.2 27.2 -0.2 61 93 A A T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.443 133.2 -91.4 -79.5 -5.5 52.4 23.6 -1.3 62 94 A G T < 5S+ 0 0 32 -3,-1.7 -43,-0.4 1,-0.3 2,-0.4 0.379 79.3 139.2 114.7 -2.6 52.3 24.6 -5.0 63 95 A V < + 0 0 0 -5,-2.7 -1,-0.3 1,-0.2 -43,-0.2 -0.640 17.4 169.8 -78.3 125.9 48.6 25.4 -5.5 64 96 A Q + 0 0 68 -45,-2.8 27,-2.4 -2,-0.4 2,-0.3 0.711 61.6 25.5-106.5 -27.7 48.2 28.6 -7.7 65 97 A T E -bc 20 91B 0 -46,-2.0 -44,-2.4 25,-0.2 2,-0.4 -0.998 56.4-167.2-140.0 136.9 44.5 28.6 -8.6 66 98 A I E -bc 21 92B 0 25,-2.7 27,-2.5 -2,-0.3 2,-0.7 -0.960 17.2-141.0-117.4 150.3 41.3 27.3 -7.0 67 99 A V E - c 0 93B 0 -46,-2.7 -43,-2.1 -2,-0.4 2,-1.0 -0.944 14.9-153.1-102.9 111.2 37.9 27.1 -8.7 68 100 A D E -b 24 0B 1 25,-2.7 27,-0.4 -2,-0.7 -43,-0.2 -0.789 9.4-170.8 -86.2 105.8 35.3 28.0 -6.1 69 101 A V + 0 0 0 -45,-1.9 2,-0.4 -2,-1.0 -44,-0.1 0.170 37.4 133.7 -88.7 22.1 32.2 26.1 -7.3 70 102 A S - 0 0 1 -46,-0.3 25,-0.6 4,-0.1 2,-0.1 -0.559 40.2-161.1 -72.0 121.6 29.9 27.9 -4.8 71 103 A T > > - 0 0 0 -2,-0.4 5,-1.9 23,-0.1 3,-1.3 -0.385 39.5 -81.3 -90.5 177.8 26.8 29.0 -6.6 72 104 A F G > 5S+ 0 0 61 25,-0.6 3,-1.4 1,-0.2 -40,-0.1 0.892 132.2 47.9 -38.8 -51.0 24.2 31.6 -5.6 73 105 A D G 3 5S+ 0 0 2 1,-0.3 -1,-0.2 24,-0.2 -42,-0.2 0.535 101.9 62.0 -87.1 -1.9 22.4 29.0 -3.3 74 106 A I G < 5S- 0 0 2 -3,-1.3 -45,-2.6 -44,-0.2 -1,-0.3 0.257 121.4-112.1 -89.7 7.9 25.7 27.9 -1.7 75 107 A G T < 5 - 0 0 11 -3,-1.4 -45,-0.3 -46,-0.2 -41,-0.2 0.782 44.4-168.7 63.6 27.9 25.8 31.6 -0.6 76 108 A R < - 0 0 12 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.207 6.9-163.9 -41.4 128.9 28.8 32.5 -2.8 77 109 A D > - 0 0 19 1,-0.1 4,-2.1 -50,-0.1 3,-0.5 -0.896 5.4-169.8-125.8 94.9 30.1 35.9 -1.7 78 110 A V H > S+ 0 0 0 -2,-0.5 4,-2.7 1,-0.2 5,-0.1 0.778 86.0 57.6 -62.7 -28.6 32.3 37.1 -4.6 79 111 A R H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 107.2 49.0 -64.6 -43.0 33.6 40.1 -2.4 80 112 A L H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.933 111.6 49.6 -56.6 -48.9 34.8 37.5 0.2 81 113 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.928 110.5 49.8 -57.4 -47.4 36.5 35.5 -2.6 82 114 A A H X S+ 0 0 23 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.882 112.2 47.7 -59.3 -43.2 38.2 38.7 -4.0 83 115 A E H X S+ 0 0 100 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.903 114.9 44.2 -64.4 -45.1 39.5 39.7 -0.5 84 116 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.909 112.2 53.0 -69.6 -39.9 40.8 36.3 0.3 85 117 A S H X>S+ 0 0 0 -4,-2.8 5,-1.3 -5,-0.2 4,-1.2 0.917 112.4 46.2 -58.5 -44.8 42.4 35.9 -3.3 86 118 A Q H <5S+ 0 0 129 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.922 115.2 44.6 -67.7 -44.6 44.2 39.2 -2.9 87 119 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.6 39.7 -71.7 -32.1 45.5 38.5 0.6 88 120 A A H <5S- 0 0 5 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.565 98.4-131.1 -91.4 -8.9 46.6 34.8 -0.2 89 121 A D T <5 + 0 0 88 -4,-1.2 2,-0.4 -3,-0.3 -3,-0.2 0.898 66.4 127.9 49.0 46.4 48.0 35.5 -3.7 90 122 A V < - 0 0 0 -5,-1.3 -1,-0.2 -6,-0.2 -25,-0.2 -0.999 62.1-121.1-125.1 129.7 46.0 32.6 -5.0 91 123 A H E -c 65 0B 37 -27,-2.4 -25,-2.7 -2,-0.4 2,-0.4 -0.452 25.5-160.2 -66.0 142.4 43.7 33.0 -8.0 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.7 -2,-0.1 2,-0.5 -0.985 6.5-156.8-127.8 123.7 40.1 32.2 -7.5 93 125 A V E -c 67 0B 2 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.2 -0.841 19.7-144.3 -92.9 128.4 37.6 31.4 -10.3 94 126 A A - 0 0 0 -2,-0.5 40,-2.6 38,-0.4 41,-0.8 -0.583 11.2-135.5 -92.9 158.1 34.0 32.1 -9.3 95 127 A A E -e 135 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.815 15.0-168.8-113.4 152.4 30.9 30.0 -10.4 96 128 A T E +e 136 0D 0 39,-2.3 41,-3.1 -2,-0.3 2,-0.2 -0.535 49.5 78.3-110.6-170.7 27.4 30.6 -11.6 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.3 -0.647 76.8 -82.0 106.6-167.8 24.8 27.8 -11.9 98 130 A L E -e 138 0D 1 39,-1.3 41,-0.7 -2,-0.2 -2,-0.1 -0.986 28.2-160.1-144.2 142.4 22.7 26.3 -9.1 99 131 A W - 0 0 39 -2,-0.3 40,-0.2 39,-0.2 -27,-0.0 0.061 52.1 -70.5 -96.4-157.6 23.2 23.6 -6.5 100 132 A F S S+ 0 0 90 1,-0.2 48,-0.0 38,-0.1 38,-0.0 0.178 117.3 66.7 -95.5 20.5 20.5 21.6 -4.6 101 133 A D + 0 0 85 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.178 62.7 159.5-125.9 43.3 19.2 24.4 -2.3 102 134 A P - 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0 0 7 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 -0.245 69.5 -2.9 57.2-126.0 43.1 21.6 4.2 293 325 A M G 3 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.381 127.2 70.2 -84.0 1.6 43.6 22.4 0.5 294 326 A A G <> S+ 0 0 0 -3,-2.7 4,-2.4 1,-0.1 5,-0.3 0.448 74.3 91.8 -87.4 -4.4 47.3 21.5 0.7 295 327 A F H <>>S+ 0 0 14 -3,-1.3 4,-2.6 -4,-0.2 5,-1.3 0.912 83.0 49.9 -56.7 -47.8 46.3 17.8 1.1 296 328 A V H 4>S+ 0 0 0 -4,-0.2 5,-2.7 3,-0.2 4,-0.3 0.967 117.2 37.9 -55.5 -60.2 46.4 17.0 -2.7 297 329 A P H 45S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.854 123.0 42.9 -62.4 -33.2 49.9 18.5 -3.3 298 330 A L H <5S+ 0 0 74 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.840 134.9 8.0 -82.4 -34.2 51.4 17.3 0.0 299 331 A R T X5S+ 0 0 132 -4,-2.6 4,-1.7 -5,-0.3 -3,-0.2 0.791 126.0 46.3-116.0 -53.5 50.0 13.8 0.1 300 332 A V H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.879 111.0 54.6 -59.6 -37.6 53.8 12.3 -3.9 303 335 A F H X S+ 0 0 27 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.951 110.9 44.5 -58.5 -48.4 51.8 9.1 -3.2 304 336 A L H <>S+ 0 0 1 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.898 113.6 50.1 -62.2 -42.9 51.1 8.8 -7.0 305 337 A R H ><5S+ 0 0 119 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.921 110.1 50.9 -61.8 -42.3 54.7 9.7 -7.9 306 338 A E H 3<5S+ 0 0 153 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 105.6 56.3 -67.1 -26.6 55.9 7.0 -5.4 307 339 A K T 3<5S- 0 0 108 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.397 130.7 -95.2 -82.2 1.9 53.6 4.5 -7.0 308 340 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.452 72.0 149.5 98.3 1.5 55.3 5.2 -10.3 309 341 A V < - 0 0 5 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.562 53.4-114.6 -64.1 124.6 53.1 7.8 -12.0 310 342 A P >> - 0 0 60 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.309 14.1-124.1 -60.8 141.5 55.5 9.9 -14.1 311 343 A P H 3> S+ 0 0 76 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.864 112.4 56.2 -50.6 -42.0 55.9 13.6 -13.1 312 344 A E H 3> S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.856 107.5 49.1 -58.4 -39.4 54.9 14.8 -16.6 313 345 A T H <> S+ 0 0 26 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.896 111.5 48.7 -66.7 -41.9 51.6 12.8 -16.2 314 346 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.910 111.5 49.7 -66.9 -41.9 51.0 14.4 -12.7 315 347 A A H X>S+ 0 0 49 -4,-2.9 4,-2.3 1,-0.2 5,-1.2 0.903 109.0 53.5 -55.1 -48.0 51.8 17.9 -14.2 316 348 A G H <>S+ 0 0 19 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.904 111.8 44.2 -55.0 -47.4 49.3 17.1 -17.0 317 349 A V H <5S+ 0 0 4 -4,-2.2 -51,-0.3 3,-0.2 -2,-0.2 0.914 122.1 35.9 -64.5 -44.9 46.5 16.2 -14.5 318 350 A T H <5S+ 0 0 12 -4,-2.4 -298,-2.5 -5,-0.1 -2,-0.2 0.674 135.7 15.4 -88.2 -18.1 47.1 19.2 -12.1 319 351 A V T X5S+ 0 0 54 -4,-2.3 4,-1.7 -5,-0.2 -3,-0.2 0.726 125.9 41.7-123.4 -56.8 48.0 21.9 -14.6 320 352 A A H > S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.892 112.9 51.3 -58.5 -37.9 42.4 22.4 -15.6 323 355 A A H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.941 112.8 44.5 -63.4 -47.5 43.9 24.9 -18.2 324 356 A R H < S+ 0 0 121 -4,-2.7 -1,-0.2 2,-0.2 -3,-0.2 0.897 115.9 48.2 -63.3 -40.8 42.2 23.1 -21.1 325 357 A F H < S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.941 115.5 42.4 -64.9 -50.8 38.9 22.8 -19.1 326 358 A L H < S+ 0 0 5 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.765 88.0 101.4 -73.3 -30.3 38.7 26.4 -17.9 327 359 A S S < S- 0 0 6 -4,-2.2 -322,-0.1 -5,-0.2 2,-0.1 -0.420 87.2-111.6 -55.1 118.5 39.8 28.0 -21.3 328 360 A P 0 0 64 0, 0.0 -164,-0.2 0, 0.0 -165,-0.2 -0.372 360.0 360.0 -59.8 128.1 36.6 29.3 -22.9 329 361 A T 0 0 114 -166,-1.7 -166,-0.2 -4,-0.1 -167,-0.1 -0.960 360.0 360.0-141.1 360.0 36.1 27.0 -25.9