==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-10 3OQE . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM RADIOBACTER; . AUTHOR F.ELY,L.W.GUDDAT,D.L.OLLIS,G.SCHENK . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 72.0 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 . 7 2.1 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 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 . 15 4.6 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 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 . 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 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 0 163 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 162.9 49.2 32.2 -25.1 2 34 A G + 0 0 64 1,-0.2 2,-0.1 0, 0.0 0, 0.0 -0.149 360.0 109.4 95.8 -39.8 46.2 34.5 -25.9 3 35 A D - 0 0 92 -2,-0.2 11,-2.3 1,-0.0 12,-0.4 -0.473 53.3-155.6 -76.1 145.2 43.3 32.6 -24.3 4 36 A L E -A 13 0A 94 9,-0.3 2,-0.4 -2,-0.1 -1,-0.0 -0.931 13.9-161.7-126.3 145.0 41.8 34.2 -21.1 5 37 A I E -A 12 0A 8 7,-2.7 7,-2.0 -2,-0.4 2,-0.4 -0.974 25.0-121.8-122.0 140.5 39.9 33.1 -18.1 6 38 A N E +A 11 0A 51 -2,-0.4 2,-0.2 5,-0.2 88,-0.2 -0.676 33.8 176.7 -79.3 131.4 37.9 35.4 -15.8 7 39 A T E > -A 10 0A 3 3,-1.5 3,-1.8 -2,-0.4 125,-0.4 -0.750 48.3 -97.0-120.2 173.5 38.9 35.4 -12.1 8 40 A V T 3 S+ 0 0 5 84,-2.7 74,-0.1 1,-0.3 85,-0.1 0.593 128.2 48.5 -69.2 -11.6 37.6 37.4 -9.2 9 41 A R T 3 S- 0 0 111 1,-0.5 -1,-0.3 83,-0.3 84,-0.1 0.253 125.9 -95.3-106.6 10.5 40.5 39.8 -9.7 10 42 A G E < -A 7 0A 24 -3,-1.8 -3,-1.5 122,-0.1 -1,-0.5 -0.599 69.8 -12.2 110.4-170.1 39.9 40.1 -13.5 11 43 A P E -A 6 0A 91 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.338 55.4-178.8 -68.7 143.2 41.2 38.4 -16.6 12 44 A I E -A 5 0A 13 -7,-2.0 -7,-2.7 -2,-0.1 2,-0.2 -0.978 36.2 -98.0-134.4 151.4 44.3 36.1 -16.6 13 45 A P E > -A 4 0A 43 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.517 30.4-127.5 -63.7 134.7 46.1 34.2 -19.3 14 46 A V G > S+ 0 0 18 -11,-2.3 3,-1.8 1,-0.3 4,-0.5 0.865 110.2 62.3 -44.0 -42.6 45.0 30.5 -19.4 15 47 A S G 3 S+ 0 0 85 -12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.650 97.4 57.0 -67.6 -14.5 48.7 29.7 -19.3 16 48 A E G < S+ 0 0 106 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.523 82.0 84.5 -93.3 -4.5 49.0 31.4 -15.9 17 49 A A < + 0 0 1 -3,-1.8 47,-0.2 -4,-0.4 -1,-0.2 0.905 66.3 161.9 -58.4 -43.5 46.4 29.2 -14.2 18 50 A G + 0 0 10 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.1 -0.203 55.4 16.6 58.3-145.2 49.1 26.6 -13.5 19 51 A F S S- 0 0 26 43,-0.4 45,-2.6 303,-0.1 46,-1.8 -0.457 85.8-171.5 -63.4 115.2 48.3 23.9 -10.9 20 52 A T E -b 65 0B 3 298,-2.4 2,-0.7 -2,-0.4 246,-0.3 -0.953 27.7-152.4-124.6 129.2 44.5 24.3 -10.5 21 53 A L E -b 66 0B 0 44,-2.4 46,-2.9 -2,-0.4 3,-0.2 -0.881 16.5-166.2 -97.0 115.3 42.0 22.8 -8.0 22 54 A T E S+ 0 0 6 244,-0.8 2,-0.3 -2,-0.7 245,-0.1 0.465 70.8 42.4 -91.4 -5.9 38.8 22.7 -10.0 23 55 A H E S+ 0 0 2 243,-0.2 246,-2.2 45,-0.1 245,-0.5 -0.760 79.3 120.6-140.3 96.1 36.2 22.0 -7.2 24 56 A E E -b 68 0B 0 43,-2.0 45,-2.2 -2,-0.3 2,-0.3 -0.875 39.8-147.6-144.4 170.2 36.7 24.0 -4.1 25 57 A H - 0 0 8 245,-1.5 3,-0.2 -2,-0.3 247,-0.1 -0.991 17.2-156.2-143.1 140.7 34.9 26.6 -1.9 26 58 A I S S+ 0 0 0 -2,-0.3 246,-2.9 1,-0.3 247,-0.7 0.930 95.6 1.1 -69.4 -46.5 36.0 29.5 0.3 27 59 A C E -d 273 0C 11 244,-0.2 2,-0.8 245,-0.2 -1,-0.3 -0.978 62.1-146.8-147.6 126.4 32.7 29.1 2.2 28 60 A G E +d 274 0C 4 245,-2.8 247,-2.9 -2,-0.3 248,-1.1 -0.835 55.6 116.8 -91.7 108.4 29.8 26.6 1.9 29 61 A S - 0 0 2 45,-2.2 2,-0.3 -2,-0.8 46,-0.2 -0.426 59.4 -87.0-146.2-147.2 26.8 28.6 3.0 30 62 A S >> - 0 0 32 45,-0.2 3,-2.1 44,-0.2 4,-0.5 -0.971 53.1 -73.0-142.7 155.5 23.5 30.0 1.6 31 63 A A T 34 S+ 0 0 46 -2,-0.3 42,-0.1 1,-0.3 46,-0.1 -0.219 117.3 0.2 -51.7 129.3 22.4 33.1 -0.3 32 64 A G T 3> S+ 0 0 48 44,-0.2 4,-2.0 40,-0.1 -1,-0.3 0.284 100.5 112.2 78.5 -7.8 22.5 36.2 2.1 33 65 A F H <> S+ 0 0 47 -3,-2.1 4,-2.7 2,-0.2 7,-0.2 0.906 74.5 47.8 -69.7 -46.4 23.6 34.1 5.1 34 66 A L H < S+ 0 0 10 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.890 115.4 48.6 -61.9 -37.1 27.1 35.6 5.5 35 67 A R H 4 S+ 0 0 171 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.885 118.5 37.7 -65.1 -41.0 25.6 39.1 5.2 36 68 A A H < S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.792 133.3 18.7 -87.0 -29.3 22.8 38.4 7.8 37 69 A W >< + 0 0 139 -4,-2.7 3,-1.6 -5,-0.2 4,-0.3 -0.448 62.5 152.9-143.7 61.2 24.7 36.3 10.3 38 70 A P G > S+ 0 0 29 0, 0.0 3,-2.0 0, 0.0 9,-0.1 0.799 70.6 72.0 -64.8 -26.1 28.5 36.7 10.0 39 71 A E G > S+ 0 0 122 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.692 78.3 77.9 -62.6 -18.7 28.9 35.8 13.7 40 72 A F G < S+ 0 0 58 -3,-1.6 -1,-0.3 1,-0.3 3,-0.1 0.844 101.4 39.6 -55.4 -32.6 28.0 32.2 12.7 41 73 A F G < S- 0 0 28 -3,-2.0 2,-1.7 -4,-0.3 -1,-0.3 0.008 127.2-100.7-102.2 21.4 31.6 32.1 11.5 42 74 A G S < S- 0 0 54 -3,-2.1 2,-0.3 4,-0.1 3,-0.1 -0.571 90.6 -30.0 87.6 -70.1 33.0 34.0 14.4 43 75 A S > - 0 0 47 -2,-1.7 4,-2.2 1,-0.1 5,-0.1 -0.943 60.6-104.3-162.1 166.7 33.1 37.1 12.2 44 76 A R H > S+ 0 0 82 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 124.0 53.6 -61.1 -40.9 33.6 37.9 8.5 45 77 A K H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 107.6 49.3 -60.7 -43.3 37.1 39.0 9.4 46 78 A A H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.2 49.5 -62.2 -41.4 37.8 35.6 11.2 47 79 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.944 111.8 46.7 -62.0 -50.2 36.5 33.8 8.1 48 80 A A H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.901 112.4 50.2 -59.0 -44.9 38.6 35.8 5.6 49 81 A E H X S+ 0 0 93 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 111.4 48.5 -62.5 -44.4 41.8 35.4 7.7 50 82 A K H X S+ 0 0 60 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.919 112.8 48.4 -58.9 -46.8 41.3 31.6 8.0 51 83 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.901 110.4 51.2 -61.7 -45.1 40.7 31.4 4.2 52 84 A V H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.928 111.1 48.1 -59.1 -45.7 43.9 33.5 3.5 53 85 A R H X S+ 0 0 150 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.929 113.9 47.8 -59.2 -45.8 46.0 31.2 5.8 54 86 A G H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.898 113.6 45.7 -62.1 -43.7 44.6 28.1 4.0 55 87 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.862 109.9 54.2 -72.3 -36.9 45.2 29.5 0.5 56 88 A R H X S+ 0 0 140 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.898 109.3 49.5 -58.2 -41.0 48.7 30.6 1.4 57 89 A H H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.922 111.7 47.5 -65.5 -44.2 49.4 27.0 2.6 58 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.2 0.931 112.2 51.5 -60.4 -43.4 48.0 25.6 -0.7 59 91 A R H ><5S+ 0 0 100 -4,-3.0 3,-1.9 3,-0.2 -2,-0.2 0.912 106.1 52.2 -57.2 -49.6 50.1 28.2 -2.6 60 92 A S H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.3 55.1 -56.9 -36.7 53.3 27.2 -0.8 61 93 A A T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.458 132.6 -93.2 -75.6 -1.9 52.4 23.5 -1.8 62 94 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.4 1,-0.3 -43,-0.4 0.461 77.2 142.4 106.9 3.0 52.3 24.7 -5.5 63 95 A V < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.645 16.8 171.3 -76.4 125.1 48.5 25.5 -6.0 64 96 A Q + 0 0 86 -45,-2.6 27,-2.4 -2,-0.4 2,-0.3 0.711 62.1 20.0-104.1 -24.9 48.2 28.6 -8.2 65 97 A T E -bc 20 91B 1 -46,-1.8 -44,-2.4 25,-0.2 2,-0.4 -0.996 56.0-166.3-148.1 138.5 44.4 28.7 -8.9 66 98 A I E -bc 21 92B 0 25,-2.3 27,-2.1 -2,-0.3 2,-0.7 -0.967 18.9-138.1-122.3 151.4 41.3 27.3 -7.4 67 99 A V E - c 0 93B 0 -46,-2.9 -43,-2.0 -2,-0.4 2,-0.9 -0.944 16.1-151.7-104.0 110.9 37.8 27.2 -9.0 68 100 A D E -b 24 0B 1 25,-2.4 27,-0.3 -2,-0.7 -43,-0.2 -0.775 9.5-169.7 -84.2 106.5 35.3 28.2 -6.3 69 101 A V + 0 0 0 -45,-2.2 2,-0.4 -2,-0.9 -44,-0.1 0.106 36.7 135.1 -91.5 26.5 32.2 26.3 -7.4 70 102 A S - 0 0 2 -46,-0.2 25,-0.6 4,-0.1 2,-0.2 -0.597 38.3-162.3 -74.4 121.8 29.9 28.1 -4.9 71 103 A T > > - 0 0 0 -2,-0.4 5,-2.0 23,-0.1 3,-1.4 -0.433 40.9 -82.9 -87.6 173.7 26.7 29.2 -6.7 72 104 A F G > 5S+ 0 0 60 25,-0.6 3,-1.5 1,-0.2 26,-0.1 0.890 132.2 49.4 -33.9 -54.3 24.2 31.8 -5.6 73 105 A D G 3 5S+ 0 0 2 1,-0.3 -1,-0.2 24,-0.3 -42,-0.2 0.523 102.3 59.8 -81.7 -5.0 22.5 29.2 -3.4 74 106 A I G < 5S- 0 0 4 -3,-1.4 -45,-2.2 -44,-0.2 -1,-0.3 0.293 121.1-112.3 -91.9 3.4 25.8 28.1 -1.8 75 107 A G T < 5 - 0 0 12 -3,-1.5 -45,-0.2 -4,-0.2 -3,-0.2 0.799 42.9-166.1 67.4 30.2 25.9 31.8 -0.7 76 108 A R < - 0 0 14 -5,-2.0 2,-0.5 -47,-0.1 -44,-0.2 -0.188 5.9-161.9 -39.6 128.7 28.9 32.7 -2.9 77 109 A D > - 0 0 16 1,-0.1 4,-2.1 -50,-0.1 3,-0.3 -0.884 5.7-170.7-125.4 94.0 30.3 36.1 -1.8 78 110 A V H > S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 5,-0.1 0.797 84.6 55.8 -62.4 -28.4 32.3 37.3 -4.7 79 111 A R H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 107.6 50.0 -67.7 -42.7 33.8 40.3 -2.7 80 112 A L H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.925 110.3 50.4 -55.3 -47.3 35.0 37.8 -0.1 81 113 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.936 111.6 48.0 -57.1 -47.0 36.6 35.7 -2.9 82 114 A A H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.894 111.4 50.5 -61.2 -43.7 38.4 38.8 -4.3 83 115 A E H X S+ 0 0 100 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.932 116.4 39.5 -61.5 -48.3 39.6 39.9 -0.8 84 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.864 113.3 54.9 -75.2 -34.8 41.1 36.5 -0.0 85 117 A S H X>S+ 0 0 0 -4,-2.9 5,-1.4 -5,-0.3 4,-1.3 0.942 112.2 44.8 -57.1 -49.1 42.4 35.9 -3.6 86 118 A R H <5S+ 0 0 177 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.914 115.2 46.6 -63.0 -47.2 44.3 39.2 -3.4 87 119 A A H <5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 120.8 36.8 -66.9 -35.6 45.7 38.6 0.2 88 120 A A H <5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.553 100.7-129.4 -93.3 -9.4 46.8 35.0 -0.6 89 121 A D T <5 + 0 0 76 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.927 64.6 130.2 54.0 48.9 48.0 35.6 -4.1 90 122 A V < - 0 0 0 -5,-1.4 -1,-0.2 -6,-0.2 -25,-0.2 -1.000 60.3-120.1-126.9 129.8 46.0 32.6 -5.4 91 123 A H E -c 65 0B 37 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.4 -0.418 26.7-161.5 -66.5 142.7 43.7 33.0 -8.5 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.7 -2,-0.1 2,-0.5 -0.980 6.8-156.2-130.4 122.1 40.0 32.3 -7.8 93 125 A V E -c 67 0B 2 -27,-2.1 -25,-2.4 -2,-0.4 -86,-0.2 -0.839 19.0-143.9 -91.9 124.8 37.5 31.5 -10.6 94 126 A A - 0 0 0 -2,-0.5 40,-2.8 38,-0.5 41,-0.7 -0.487 11.6-137.4 -88.5 163.2 33.9 32.2 -9.6 95 127 A A E -e 135 0D 0 -25,-0.6 41,-0.2 -27,-0.3 2,-0.2 -0.837 13.5-166.5-119.8 150.6 30.9 30.2 -10.6 96 128 A T E +e 136 0D 0 39,-2.4 41,-3.0 -2,-0.3 2,-0.2 -0.493 49.2 77.1-111.8-167.1 27.3 30.8 -11.7 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.3 -0.576 76.8 -80.7 102.2-167.7 24.6 28.1 -11.9 98 130 A L - 0 0 1 39,-1.2 41,-0.4 -2,-0.2 -2,-0.0 -0.995 27.9-156.9-143.2 138.2 22.5 26.6 -9.1 99 131 A W - 0 0 34 -2,-0.3 40,-0.3 39,-0.2 -27,-0.0 0.072 52.2 -73.5 -89.0-155.5 23.2 23.8 -6.6 100 132 A F S S+ 0 0 82 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.242 118.2 67.9 -99.0 17.7 20.5 21.8 -4.8 101 133 A D + 0 0 84 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.155 62.3 157.9-125.0 42.2 19.2 24.5 -2.4 102 134 A P - 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0 0 6 -3,-2.0 3,-1.4 1,-0.3 4,-0.2 -0.269 69.1 -1.3 56.0-124.3 43.2 21.9 3.8 293 325 A M G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -239,-0.2 3,-0.1 0.377 127.4 68.5 -86.3 2.6 43.7 22.6 0.0 294 326 A A G <> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.1 -1,-0.3 0.456 75.3 91.1 -88.0 -3.3 47.4 21.6 0.2 295 327 A F H <>>S+ 0 0 14 -3,-1.4 4,-2.8 1,-0.2 5,-1.2 0.895 81.8 52.6 -61.6 -45.7 46.3 18.0 0.8 296 328 A V H 4>S+ 0 0 1 -4,-0.2 5,-2.6 3,-0.2 4,-0.4 0.964 115.6 37.9 -54.5 -59.7 46.3 17.1 -3.0 297 329 A P H 45S+ 0 0 19 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.857 123.5 42.5 -62.3 -34.3 49.9 18.3 -3.7 298 330 A L H <5S+ 0 0 77 -4,-2.5 -2,-0.2 3,-0.1 -3,-0.2 0.805 134.1 10.2 -81.1 -33.4 51.3 17.1 -0.3 299 331 A R T X5S+ 0 0 137 -4,-2.8 4,-1.7 -5,-0.3 -3,-0.2 0.792 127.1 44.4-114.6 -51.4 49.7 13.7 -0.1 300 332 A V H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 110.5 55.3 -59.9 -37.7 53.4 11.8 -4.0 303 335 A F H X S+ 0 0 26 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.932 111.5 44.7 -54.6 -46.9 51.2 8.7 -3.4 304 336 A L H <>S+ 0 0 2 -4,-2.3 5,-2.6 2,-0.2 -1,-0.2 0.896 111.4 51.5 -68.4 -42.6 50.6 8.6 -7.2 305 337 A R H ><5S+ 0 0 127 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.930 109.8 50.4 -58.8 -44.5 54.3 9.1 -8.0 306 338 A E H 3<5S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 104.8 57.7 -67.8 -25.7 55.2 6.3 -5.6 307 339 A K T 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.321 130.5 -96.9 -81.9 7.1 52.6 4.1 -7.4 308 340 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.494 71.8 149.9 95.7 4.2 54.6 4.7 -10.6 309 341 A V < - 0 0 5 -5,-2.6 -1,-0.3 -8,-0.1 -2,-0.1 -0.615 48.8-121.0 -73.5 123.1 52.6 7.6 -12.2 310 342 A P >> - 0 0 58 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.277 13.4-121.0 -65.2 149.4 55.1 9.6 -14.3 311 343 A P H 3> S+ 0 0 74 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.846 112.6 57.7 -60.9 -36.3 55.5 13.4 -13.4 312 344 A E H 3> S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 107.6 48.4 -61.2 -33.2 54.5 14.4 -17.0 313 345 A T H <> S+ 0 0 26 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.911 111.3 48.9 -72.6 -43.0 51.2 12.6 -16.5 314 346 A L H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.903 111.4 49.8 -63.6 -42.5 50.7 14.2 -13.1 315 347 A A H X>S+ 0 0 51 -4,-3.0 4,-2.0 1,-0.2 5,-1.1 0.900 108.5 54.6 -58.4 -42.0 51.5 17.7 -14.6 316 348 A G H <>S+ 0 0 19 -4,-1.9 5,-2.8 3,-0.2 -2,-0.2 0.893 111.5 44.0 -58.4 -43.7 48.9 16.8 -17.4 317 349 A V H <5S+ 0 0 4 -4,-2.1 -51,-0.3 3,-0.2 -2,-0.2 0.901 121.9 35.3 -69.1 -43.5 46.2 16.1 -14.9 318 350 A T H <5S+ 0 0 11 -4,-2.2 -298,-2.4 -5,-0.1 -2,-0.2 0.600 135.5 16.9 -90.7 -17.3 46.7 19.1 -12.5 319 351 A V T X5S+ 0 0 53 -4,-2.0 4,-1.8 -5,-0.2 -3,-0.2 0.723 125.6 40.7-119.8 -59.6 47.8 21.7 -15.1 320 352 A A H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.894 113.1 53.7 -60.6 -37.6 42.1 22.4 -16.0 323 355 A A H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.947 112.5 42.6 -58.8 -52.3 43.6 24.8 -18.6 324 356 A R H < S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.895 117.2 48.7 -60.6 -42.5 41.7 23.0 -21.5 325 357 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.937 116.6 39.5 -64.5 -50.8 38.6 22.7 -19.4 326 358 A L H < S+ 0 0 3 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.791 88.9 100.3 -73.1 -32.3 38.5 26.4 -18.2 327 359 A S S < S- 0 0 15 -4,-2.3 2,-0.1 -5,-0.3 -322,-0.1 -0.402 88.5-112.3 -56.9 118.3 39.6 27.9 -21.6 328 360 A P 0 0 61 0, 0.0 -164,-0.2 0, 0.0 -165,-0.2 -0.449 360.0 360.0 -63.3 132.5 36.3 29.1 -23.1 329 361 A T 0 0 115 -166,-1.7 -166,-0.2 -4,-0.1 -167,-0.1 -0.985 360.0 360.0-143.9 360.0 35.6 27.0 -26.1