==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-AUG-07 2R1P . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR D.L.OLLIS,C.J.JACKSON,J.L.FOO,H.K.KIM,P.D.CARR,J.W.LIU, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 15 4.6 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 33.8 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 34 A G 0 0 114 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 46.3 34.2 -26.1 2 35 A D - 0 0 104 324,-0.0 11,-2.7 1,-0.0 12,-0.4 -0.565 360.0-156.8 -85.1 147.2 43.4 32.5 -24.3 3 36 A L E -A 12 0A 94 9,-0.3 2,-0.4 -2,-0.2 -1,-0.0 -0.905 11.7-161.8-127.8 147.5 41.9 34.1 -21.2 4 37 A I E -A 11 0A 10 7,-2.6 7,-2.1 -2,-0.3 2,-0.4 -0.974 25.5-119.2-127.5 142.7 39.9 33.0 -18.2 5 38 A N E +A 10 0A 49 -2,-0.4 2,-0.3 5,-0.2 88,-0.2 -0.668 34.2 176.9 -82.0 129.6 37.9 35.3 -15.9 6 39 A T E > -A 9 0A 3 3,-1.7 3,-2.0 -2,-0.4 125,-0.4 -0.801 47.8 -99.2-117.8 172.7 38.9 35.3 -12.2 7 40 A V T 3 S+ 0 0 3 84,-2.9 85,-0.1 1,-0.3 74,-0.1 0.674 127.3 49.2 -68.2 -16.2 37.6 37.4 -9.3 8 41 A R T 3 S- 0 0 64 1,-0.4 -1,-0.3 83,-0.3 84,-0.1 0.353 126.0 -96.6 -97.2 5.9 40.6 39.7 -9.8 9 42 A G E < -A 6 0A 25 -3,-2.0 -3,-1.7 122,-0.1 -1,-0.4 -0.688 69.6 -10.6 111.1-164.7 39.9 40.0 -13.5 10 43 A P E -A 5 0A 94 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.387 55.8-178.5 -75.6 141.4 41.1 38.3 -16.7 11 44 A I E -A 4 0A 13 -7,-2.1 -7,-2.6 -2,-0.1 2,-0.1 -0.976 35.7-100.4-132.0 149.0 44.2 36.1 -16.7 12 45 A P E > -A 3 0A 42 0, 0.0 3,-1.8 0, 0.0 -9,-0.3 -0.497 32.0-126.0 -62.2 133.7 46.0 34.2 -19.5 13 46 A V G > S+ 0 0 19 -11,-2.7 3,-2.0 1,-0.2 4,-0.5 0.881 109.1 63.5 -44.4 -38.7 45.0 30.5 -19.4 14 47 A S G 3 S+ 0 0 105 -12,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.571 96.3 56.9 -68.4 -15.7 48.8 29.6 -19.2 15 48 A E G < S+ 0 0 106 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.397 81.2 86.4 -93.5 -3.8 49.1 31.3 -15.9 16 49 A A < + 0 0 2 -3,-2.0 47,-0.2 -4,-0.2 -2,-0.2 0.915 66.9 165.4 -61.8 -38.9 46.4 29.2 -14.2 17 50 A G + 0 0 9 -4,-0.5 2,-0.5 46,-0.1 -1,-0.1 -0.236 54.3 12.7 61.6-152.8 49.1 26.6 -13.4 18 51 A F S S- 0 0 27 43,-0.4 45,-2.8 -3,-0.1 46,-1.7 -0.450 85.4-170.1 -59.8 117.0 48.3 23.9 -10.9 19 52 A T E -b 64 0B 3 298,-2.4 2,-0.6 -2,-0.5 246,-0.3 -0.926 26.8-151.3-128.1 125.2 44.5 24.3 -10.5 20 53 A L E -b 65 0B 0 44,-2.4 46,-2.7 -2,-0.4 246,-0.2 -0.886 16.9-163.8 -93.6 116.2 42.1 22.7 -8.1 21 54 A T E S+ 0 0 6 244,-0.8 2,-0.3 -2,-0.6 245,-0.1 0.487 71.1 41.0 -92.6 2.2 38.8 22.6 -10.0 22 55 A H E S+ 0 0 2 243,-0.2 246,-2.3 45,-0.1 245,-0.5 -0.774 77.6 124.2-149.5 96.1 36.2 22.0 -7.3 23 56 A E E -b 67 0B 0 43,-2.0 45,-2.3 -2,-0.3 2,-0.3 -0.881 39.1-146.3-142.7 167.5 36.7 24.1 -4.1 24 57 A H - 0 0 8 245,-1.8 3,-0.2 -2,-0.3 247,-0.2 -0.991 14.6-158.7-138.9 138.9 34.8 26.5 -1.9 25 58 A I S S- 0 0 0 -2,-0.3 246,-2.4 1,-0.3 247,-0.7 0.917 94.6 -1.7 -67.0 -47.2 35.9 29.5 0.2 26 59 A C E -d 272 0C 11 245,-0.2 2,-0.7 244,-0.2 -1,-0.3 -0.965 63.2-147.9-148.9 127.4 32.7 29.1 2.2 27 60 A G E +d 273 0C 3 245,-2.6 247,-3.0 -2,-0.4 248,-1.1 -0.854 53.5 118.5 -96.3 106.7 29.8 26.7 1.8 28 61 A S - 0 0 0 45,-2.4 2,-0.3 -2,-0.7 46,-0.2 -0.440 58.6 -85.3-141.8-144.2 26.8 28.7 2.9 29 62 A S >> - 0 0 31 45,-0.3 3,-2.1 -2,-0.2 4,-0.5 -0.973 52.5 -73.1-142.2 157.6 23.4 30.0 1.6 30 63 A A T 34 S+ 0 0 45 -2,-0.3 42,-0.1 1,-0.3 46,-0.1 -0.196 116.9 1.0 -50.7 129.5 22.3 33.1 -0.3 31 64 A G T 3> S+ 0 0 54 44,-0.2 4,-2.0 1,-0.1 -1,-0.3 0.357 101.0 111.3 83.3 -15.0 22.3 36.2 2.0 32 65 A F H <> S+ 0 0 46 -3,-2.1 4,-2.6 2,-0.2 -2,-0.1 0.882 71.6 49.8 -68.8 -48.7 23.6 34.2 5.0 33 66 A L H < S+ 0 0 9 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.901 115.6 46.0 -57.6 -36.4 27.1 35.7 5.3 34 67 A R H 4 S+ 0 0 206 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.854 118.9 40.7 -70.6 -43.2 25.6 39.2 5.2 35 68 A A H < S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.782 132.9 16.6 -78.3 -32.9 22.7 38.4 7.7 36 69 A W >< + 0 0 139 -4,-2.6 3,-1.7 -5,-0.2 4,-0.3 -0.360 63.3 154.0-143.0 58.7 24.7 36.3 10.2 37 70 A P G > S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 9,-0.1 0.796 71.7 71.0 -62.6 -27.7 28.5 36.8 9.9 38 71 A E G > S+ 0 0 122 1,-0.3 3,-2.2 2,-0.2 -5,-0.1 0.688 77.6 77.0 -62.0 -22.9 28.9 35.9 13.6 39 72 A F G < S+ 0 0 60 -3,-1.7 -1,-0.3 1,-0.3 3,-0.1 0.828 102.0 40.8 -51.3 -33.3 27.9 32.3 12.7 40 73 A F G < S- 0 0 30 -3,-2.0 2,-1.6 -4,-0.3 -1,-0.3 0.058 127.2-100.2 -99.4 19.3 31.6 32.1 11.4 41 74 A G S < S- 0 0 56 -3,-2.2 2,-0.3 4,-0.1 -1,-0.1 -0.552 89.6 -34.0 85.3 -70.5 33.0 34.1 14.3 42 75 A S > - 0 0 45 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.940 59.6-102.1-163.0 173.3 33.0 37.1 12.0 43 76 A R H > S+ 0 0 77 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.902 123.3 53.9 -61.8 -47.4 33.6 37.9 8.3 44 77 A K H > S+ 0 0 148 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 109.8 46.9 -55.2 -46.0 37.1 39.1 9.2 45 78 A A H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 112.4 49.9 -64.5 -43.0 37.9 35.8 11.0 46 79 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.953 112.5 47.1 -59.6 -45.1 36.5 33.8 8.1 47 80 A A H X S+ 0 0 5 -4,-3.1 4,-3.1 2,-0.2 -2,-0.2 0.932 111.9 50.2 -62.5 -45.3 38.6 35.8 5.6 48 81 A E H X S+ 0 0 86 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.949 110.9 49.1 -61.0 -46.8 41.8 35.4 7.7 49 82 A K H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.871 112.5 48.4 -53.9 -53.3 41.2 31.6 7.9 50 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.898 110.4 51.2 -55.1 -45.0 40.7 31.5 4.1 51 84 A V H X S+ 0 0 14 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.937 110.4 48.6 -60.5 -46.0 43.8 33.6 3.4 52 85 A R H X S+ 0 0 149 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.934 113.8 48.1 -58.5 -46.4 46.0 31.3 5.7 53 86 A G H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.879 112.5 45.5 -58.4 -49.4 44.5 28.2 3.9 54 87 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.866 111.6 54.4 -67.4 -37.0 45.1 29.5 0.3 55 88 A R H X S+ 0 0 137 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.905 108.8 48.8 -61.1 -37.2 48.6 30.6 1.3 56 89 A H H X S+ 0 0 77 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.919 112.8 46.8 -67.7 -46.6 49.3 27.1 2.5 57 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.3 0.938 111.8 52.2 -57.6 -42.2 47.9 25.7 -0.7 58 91 A R H ><5S+ 0 0 119 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.895 105.6 52.8 -60.6 -46.4 50.1 28.2 -2.6 59 92 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 106.9 54.9 -58.8 -36.7 53.2 27.2 -0.7 60 93 A A T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.417 132.3 -93.4 -73.6 -4.4 52.4 23.5 -1.9 61 94 A G T < 5S+ 0 0 32 -3,-1.7 -43,-0.4 1,-0.3 2,-0.3 0.414 77.7 142.9 104.0 7.0 52.3 24.7 -5.5 62 95 A V < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.573 16.1 170.1 -76.8 125.0 48.6 25.5 -6.0 63 96 A Q + 0 0 94 -45,-2.8 27,-2.3 1,-0.3 2,-0.3 0.671 60.9 21.5-107.3 -21.1 48.2 28.5 -8.2 64 97 A T E -bc 19 90B 0 -46,-1.7 -44,-2.4 25,-0.2 2,-0.4 -0.995 56.5-166.9-147.0 138.6 44.4 28.6 -9.0 65 98 A I E -bc 20 91B 0 25,-2.4 27,-2.3 -2,-0.3 2,-0.7 -0.969 19.3-137.2-122.2 153.5 41.3 27.3 -7.4 66 99 A V E - c 0 92B 0 -46,-2.7 -43,-2.0 -2,-0.4 2,-0.9 -0.947 16.2-152.9-105.7 108.2 37.8 27.1 -9.0 67 100 A D E -b 23 0B 1 25,-2.5 27,-0.3 -2,-0.7 -43,-0.2 -0.826 10.2-171.0 -83.4 103.3 35.3 28.2 -6.3 68 101 A V + 0 0 0 -45,-2.3 2,-0.5 -2,-0.9 -44,-0.1 0.137 36.1 134.1 -89.7 25.9 32.2 26.3 -7.4 69 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.601 40.1-159.9 -73.9 126.1 29.9 28.1 -4.9 70 103 A T > > - 0 0 0 -2,-0.5 5,-2.0 23,-0.1 3,-1.5 -0.346 40.4 -82.5 -90.8 176.6 26.7 29.2 -6.7 71 104 A F G > 5S+ 0 0 63 25,-0.7 3,-1.4 1,-0.2 26,-0.1 0.910 133.0 49.0 -39.7 -48.6 24.2 31.8 -5.7 72 105 A D G 3 5S+ 0 0 2 1,-0.3 -42,-0.2 24,-0.3 -1,-0.2 0.541 100.6 61.7 -87.5 -0.8 22.5 29.2 -3.4 73 106 A I G < 5S- 0 0 4 -3,-1.5 -45,-2.4 -44,-0.2 -1,-0.3 0.339 121.7-110.8 -94.1 6.8 25.8 28.1 -1.8 74 107 A G T < 5 - 0 0 11 -3,-1.4 -45,-0.3 -4,-0.4 -41,-0.2 0.761 44.9-167.3 68.0 27.1 25.9 31.7 -0.7 75 108 A R < - 0 0 13 -5,-2.0 2,-0.6 -47,-0.2 -44,-0.2 -0.155 6.7-163.7 -40.3 124.5 28.8 32.7 -2.9 76 109 A D > - 0 0 22 1,-0.1 4,-2.1 -50,-0.1 3,-0.4 -0.913 4.5-171.1-120.0 92.6 30.1 36.1 -1.8 77 110 A V H > S+ 0 0 0 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.840 84.1 57.1 -62.9 -28.9 32.3 37.3 -4.8 78 111 A R H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.897 107.2 50.0 -64.2 -40.5 33.6 40.3 -2.8 79 112 A L H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.940 109.9 50.2 -59.7 -45.7 34.9 37.8 -0.2 80 113 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.916 111.2 48.9 -58.7 -45.0 36.6 35.7 -2.9 81 114 A A H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.907 110.8 50.0 -64.2 -42.3 38.2 38.8 -4.4 82 115 A E H X S+ 0 0 100 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 116.2 41.2 -61.5 -46.6 39.6 39.9 -1.0 83 116 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.889 112.1 54.2 -72.1 -36.7 41.0 36.5 -0.1 84 117 A S H X>S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 5,-1.2 0.937 112.2 46.6 -61.1 -44.9 42.4 35.9 -3.7 85 118 A R H <5S+ 0 0 154 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 114.2 45.9 -61.3 -49.4 44.2 39.3 -3.4 86 119 A A H <5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.4 35.9 -64.8 -38.4 45.6 38.6 0.1 87 120 A A H <5S- 0 0 3 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.548 99.8-130.7 -88.9 -12.2 46.8 35.1 -0.6 88 121 A D T <5 + 0 0 78 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.945 63.3 131.1 51.6 55.0 47.9 35.7 -4.2 89 122 A V < - 0 0 0 -5,-1.2 -1,-0.2 -6,-0.2 -25,-0.2 -0.998 60.2-118.8-132.7 125.5 46.0 32.7 -5.5 90 123 A H E -c 64 0B 31 -27,-2.3 -25,-2.4 -2,-0.4 2,-0.4 -0.468 27.1-163.0 -60.9 142.0 43.7 33.0 -8.5 91 124 A I E -c 65 0B 0 -27,-0.2 -84,-2.9 -2,-0.1 2,-0.5 -0.983 7.1-156.5-131.0 123.0 40.0 32.2 -7.9 92 125 A V E -c 66 0B 1 -27,-2.3 -25,-2.5 -2,-0.4 2,-0.2 -0.840 19.4-144.3 -92.1 124.9 37.5 31.4 -10.7 93 126 A A - 0 0 0 -2,-0.5 40,-2.9 38,-0.4 41,-0.8 -0.536 11.3-137.2 -90.7 163.7 33.9 32.1 -9.6 94 127 A A E -e 134 0D 0 -25,-0.6 41,-0.2 -27,-0.3 2,-0.2 -0.827 13.7-166.5-116.7 154.9 30.8 30.1 -10.6 95 128 A T E +e 135 0D 0 39,-2.5 41,-2.7 -2,-0.3 2,-0.2 -0.496 49.1 79.4-116.3-165.9 27.3 30.7 -11.8 96 129 A G E S-e 136 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.574 77.3 -81.6 103.5-170.0 24.6 28.0 -12.0 97 130 A L - 0 0 1 39,-1.3 41,-0.4 -2,-0.2 2,-0.1 -0.995 28.7-158.8-141.7 140.3 22.5 26.5 -9.2 98 131 A W - 0 0 34 -2,-0.3 40,-0.2 39,-0.2 -27,-0.0 0.029 52.8 -72.4 -95.7-154.1 23.3 23.8 -6.6 99 132 A F S S+ 0 0 77 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.196 117.7 68.8-102.8 21.1 20.5 21.8 -4.8 100 133 A D + 0 0 85 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.134 62.2 159.2-124.5 46.8 19.3 24.5 -2.4 101 134 A P - 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0 0 7 -3,-1.9 3,-1.4 1,-0.3 4,-0.2 -0.297 69.4 -2.2 58.0-127.2 43.2 21.9 3.8 292 325 A M G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -239,-0.2 3,-0.1 0.381 128.2 68.1 -85.9 2.0 43.7 22.6 -0.0 293 326 A A G <> S+ 0 0 0 -3,-2.4 4,-2.3 2,-0.1 -1,-0.3 0.460 74.9 90.5 -86.1 -6.4 47.4 21.6 0.2 294 327 A F H <>>S+ 0 0 14 -3,-1.4 4,-2.9 -4,-0.2 5,-1.4 0.919 82.5 52.9 -61.4 -41.8 46.4 18.0 0.8 295 328 A V H 4>S+ 0 0 1 -4,-0.2 5,-2.9 1,-0.2 4,-0.3 0.972 115.4 37.3 -57.4 -56.9 46.4 17.1 -2.9 296 329 A P H 45S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.861 123.2 44.5 -66.3 -31.3 49.9 18.4 -3.7 297 330 A L H <5S+ 0 0 77 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.843 134.2 6.9 -82.7 -32.7 51.3 17.2 -0.4 298 331 A R T X5S+ 0 0 139 -4,-2.9 4,-1.6 -5,-0.3 -3,-0.2 0.738 127.2 47.2-116.2 -50.4 49.8 13.7 -0.1 299 332 A V H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.871 110.1 56.5 -65.8 -32.9 53.4 11.9 -4.1 302 335 A F H X S+ 0 0 29 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.942 111.0 44.0 -62.0 -48.1 51.3 8.8 -3.5 303 336 A L H <>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 3,-0.4 0.899 112.0 53.0 -62.8 -39.5 50.6 8.6 -7.2 304 337 A R H ><5S+ 0 0 128 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.924 107.1 51.7 -61.6 -42.6 54.3 9.3 -8.0 305 338 A E H 3<5S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 104.3 57.4 -68.4 -21.6 55.3 6.4 -5.7 306 339 A K T 3<5S- 0 0 95 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.361 129.1 -97.9 -87.2 3.3 52.9 4.1 -7.5 307 340 A G T < 5 + 0 0 55 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.512 69.2 152.9 97.6 5.3 54.8 4.9 -10.7 308 341 A V < - 0 0 5 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.577 49.0-118.5 -67.2 121.6 52.7 7.6 -12.3 309 342 A P >> - 0 0 47 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.310 14.1-121.0 -59.0 149.6 55.2 9.7 -14.4 310 343 A P H 3> S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.844 112.9 57.5 -61.2 -41.1 55.6 13.4 -13.6 311 344 A E H 3> S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.877 107.3 48.3 -57.7 -37.9 54.6 14.4 -17.0 312 345 A T H <> S+ 0 0 21 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.938 110.9 49.9 -69.4 -38.0 51.3 12.6 -16.6 313 346 A L H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.910 111.8 49.0 -68.5 -40.3 50.7 14.2 -13.1 314 347 A A H X>S+ 0 0 51 -4,-2.8 4,-2.1 2,-0.2 5,-1.2 0.869 108.2 53.4 -60.5 -43.1 51.4 17.6 -14.7 315 348 A G H <>S+ 0 0 21 -4,-2.0 5,-3.0 3,-0.2 -2,-0.2 0.900 112.6 46.1 -59.9 -40.7 49.0 16.9 -17.5 316 349 A V H <5S+ 0 0 5 -4,-2.3 -51,-0.3 1,-0.2 -2,-0.2 0.923 121.1 33.9 -69.4 -45.9 46.3 16.1 -14.9 317 350 A T H <5S+ 0 0 11 -4,-2.3 -298,-2.4 -5,-0.1 -1,-0.2 0.589 136.2 16.0 -88.8 -16.9 46.8 19.1 -12.5 318 351 A V T X5S+ 0 0 53 -4,-2.1 4,-2.0 -300,-0.2 -3,-0.2 0.684 125.3 41.3-120.4 -60.2 47.8 21.8 -15.2 319 352 A A H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.882 113.0 53.2 -56.0 -42.5 42.1 22.3 -16.1 322 355 A A H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.944 112.1 45.1 -58.6 -47.7 43.6 24.8 -18.6 323 356 A R H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.920 116.6 46.5 -58.9 -43.0 41.8 22.9 -21.5 324 357 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 116.1 42.5 -68.0 -48.2 38.6 22.7 -19.4 325 358 A L H < S+ 0 0 4 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.770 88.4 99.8 -75.1 -33.5 38.5 26.3 -18.3 326 359 A S S < S- 0 0 12 -4,-2.1 -322,-0.1 -5,-0.2 2,-0.1 -0.480 88.4-110.0 -53.3 123.0 39.5 27.9 -21.6 327 360 A P 0 0 60 0, 0.0 -164,-0.2 0, 0.0 -165,-0.2 -0.375 360.0 360.0 -63.5 128.2 36.3 29.1 -23.3 328 361 A T 0 0 113 -166,-1.4 -166,-0.2 -170,-0.1 -167,-0.1 -0.940 360.0 360.0-142.6 360.0 35.7 26.8 -26.2