==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-00 1EYW . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR H.M.HOLDEN,M.M.BENNING,F.M.RAUSHEL,S.-B.HONG . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 73.0 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 . 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 . 1 0.3 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.2 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 4 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 35 A D 0 0 107 0, 0.0 11,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -31.2 30.1 14.4 34.1 2 36 A R E -A 11 0A 141 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.957 360.0-142.4-133.7 149.9 29.4 17.9 33.0 3 37 A I E -A 10 0A 6 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.921 25.2-122.6-111.7 134.2 31.4 20.8 31.8 4 38 A N E +A 9 0A 39 -2,-0.4 88,-0.3 5,-0.2 2,-0.2 -0.639 35.1 176.6 -79.8 130.3 30.6 24.4 32.8 5 39 A T E > -A 8 0A 5 3,-1.6 3,-1.5 -2,-0.4 125,-0.4 -0.719 47.1-100.0-122.9 172.3 29.9 26.8 30.0 6 40 A V T 3 S+ 0 0 4 84,-2.4 85,-0.1 1,-0.3 74,-0.1 0.590 127.7 46.6 -70.9 -10.5 28.9 30.4 29.8 7 41 A R T 3 S- 0 0 69 1,-0.5 -1,-0.3 83,-0.3 84,-0.1 0.266 129.1 -87.9-110.2 6.1 25.4 29.2 29.2 8 42 A G E < -A 5 0A 24 -3,-1.5 -3,-1.6 122,-0.1 -1,-0.5 -0.673 69.4 -25.6 118.0-174.2 25.5 26.6 32.0 9 43 A P E -A 4 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.464 53.6-172.7 -78.2 145.6 26.6 23.0 32.3 10 44 A I E -A 3 0A 9 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.2 -0.896 28.3-104.4-129.3 161.8 26.7 20.7 29.3 11 45 A T E >> -A 2 0A 34 -2,-0.3 3,-1.8 -9,-0.2 4,-0.7 -0.533 33.5-110.7 -84.5 158.0 27.4 17.0 29.2 12 46 A I H >> S+ 0 0 42 -11,-1.3 3,-1.3 1,-0.3 4,-0.5 0.887 118.0 55.5 -52.4 -42.9 30.6 15.8 27.9 13 47 A S H 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.668 97.6 63.8 -67.7 -16.3 29.0 14.4 24.8 14 48 A E H <4 S+ 0 0 88 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.671 86.4 75.0 -80.4 -18.1 27.6 17.7 24.0 15 49 A A H << + 0 0 2 -3,-1.3 47,-0.2 -4,-0.7 -1,-0.2 0.910 67.1 161.0 -58.3 -47.2 31.1 19.3 23.5 16 50 A G < + 0 0 6 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.1 -0.204 58.2 12.2 57.7-149.8 31.8 17.7 20.2 17 51 A F S S- 0 0 22 43,-0.4 45,-2.6 303,-0.1 46,-2.0 -0.404 83.9-171.2 -59.3 113.3 34.5 19.3 18.0 18 52 A T E -b 63 0B 3 298,-2.7 2,-0.7 -2,-0.4 46,-0.2 -0.947 27.3-149.1-123.0 136.4 36.3 21.7 20.4 19 53 A L E -b 64 0B 0 44,-2.4 46,-2.4 -2,-0.4 3,-0.2 -0.892 18.0-162.9 -97.7 114.6 38.9 24.4 19.9 20 54 A T E S+ 0 0 10 244,-0.9 2,-0.3 -2,-0.7 245,-0.1 0.477 70.3 38.8 -80.9 -9.0 40.9 24.4 23.2 21 55 A H E S+ 0 0 2 243,-0.2 246,-1.9 45,-0.1 245,-0.4 -0.747 78.1 120.3-146.5 94.5 42.8 27.8 23.1 22 56 A E E -b 66 0B 0 43,-2.1 45,-2.3 -2,-0.3 2,-0.3 -0.855 39.1-146.5-143.0 178.6 40.9 30.8 21.7 23 57 A H - 0 0 9 245,-1.2 3,-0.2 -2,-0.3 247,-0.1 -0.992 15.0-154.5-150.2 143.8 39.7 34.2 22.7 24 58 A I S S+ 0 0 1 1,-0.4 246,-2.5 -2,-0.3 247,-0.6 0.896 93.3 2.4 -81.8 -43.0 36.8 36.3 21.8 25 59 A C E -d 271 0C 13 244,-0.2 2,-0.7 245,-0.2 -1,-0.4 -0.995 61.8-146.3-144.0 136.3 38.8 39.4 22.6 26 60 A G E +d 272 0C 4 245,-2.9 247,-2.8 -2,-0.3 248,-1.0 -0.889 55.4 112.5-102.6 106.1 42.5 40.0 23.7 27 61 A S - 0 0 1 45,-2.1 2,-0.3 -2,-0.7 46,-0.2 -0.433 60.3 -83.2-143.9-141.5 42.4 43.1 26.0 28 62 A S >> - 0 0 32 45,-0.2 3,-1.7 44,-0.2 4,-0.5 -0.971 52.8 -73.5-142.3 156.4 42.9 44.1 29.6 29 63 A A T 34 S+ 0 0 43 -2,-0.3 42,-0.1 1,-0.2 46,-0.1 -0.179 117.0 1.2 -51.4 133.5 40.8 44.2 32.8 30 64 A G T 3> S+ 0 0 54 44,-0.2 4,-2.1 40,-0.1 -1,-0.2 0.242 101.5 109.5 74.0 -14.4 38.1 46.9 32.6 31 65 A F H <> S+ 0 0 48 -3,-1.7 4,-2.8 1,-0.2 -2,-0.1 0.890 70.7 53.3 -59.4 -48.8 39.1 48.1 29.1 32 66 A L H < S+ 0 0 7 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.891 114.2 43.9 -58.2 -40.9 36.2 46.9 27.2 33 67 A R H 4 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.874 118.0 44.1 -73.5 -34.5 33.8 48.7 29.5 34 68 A A H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.817 130.1 16.3 -80.1 -31.3 35.9 51.9 29.6 35 69 A W >< + 0 0 134 -4,-2.8 3,-1.9 -5,-0.2 4,-0.3 -0.399 62.9 154.2-143.2 62.0 36.8 52.3 25.9 36 70 A P G > S+ 0 0 27 0, 0.0 3,-2.1 0, 0.0 9,-0.1 0.795 71.1 70.6 -60.4 -30.1 34.5 50.2 23.7 37 71 A E G > S+ 0 0 120 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.682 77.6 77.9 -62.2 -18.5 35.1 52.6 20.8 38 72 A F G < S+ 0 0 63 -3,-1.9 -1,-0.3 1,-0.3 3,-0.1 0.848 102.5 40.3 -60.3 -27.7 38.6 51.3 20.6 39 73 A F G < S- 0 0 29 -3,-2.1 2,-1.6 -4,-0.3 -1,-0.3 0.093 127.6 -98.0-104.3 20.7 36.9 48.3 18.9 40 74 A G S < S- 0 0 55 -3,-2.0 2,-0.3 4,-0.1 3,-0.1 -0.616 91.2 -34.7 95.6 -71.3 34.5 50.4 16.8 41 75 A S > - 0 0 44 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.952 59.9-100.0-169.4 167.9 31.9 49.7 19.4 42 76 A R H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.918 123.9 52.5 -63.5 -40.9 30.9 46.9 21.7 43 77 A K H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 107.5 49.8 -58.4 -48.4 28.2 46.0 19.2 44 78 A A H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 110.8 50.3 -61.0 -38.9 30.6 45.8 16.3 45 79 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.933 111.1 48.6 -66.3 -45.4 32.9 43.6 18.2 46 80 A A H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 112.1 48.7 -61.1 -41.7 30.0 41.3 19.2 47 81 A E H X S+ 0 0 93 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.903 109.9 51.6 -66.1 -39.2 28.8 41.1 15.6 48 82 A K H X S+ 0 0 49 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.918 112.1 46.7 -62.7 -43.4 32.2 40.4 14.4 49 83 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.890 111.0 51.2 -64.5 -43.6 32.6 37.6 16.9 50 84 A V H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.930 110.4 49.4 -62.0 -44.0 29.2 36.1 16.1 51 85 A R H X S+ 0 0 124 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.940 113.5 46.6 -61.3 -44.0 29.9 36.1 12.4 52 86 A G H X S+ 0 0 16 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 112.7 48.2 -64.1 -44.0 33.2 34.4 13.1 53 87 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.856 110.0 53.1 -64.2 -38.1 31.8 31.8 15.4 54 88 A R H X S+ 0 0 149 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.876 109.0 49.2 -66.0 -37.7 28.9 31.0 13.0 55 89 A R H X S+ 0 0 165 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.911 111.8 49.2 -68.6 -37.4 31.5 30.4 10.2 56 90 A A H <>S+ 0 0 2 -4,-1.9 5,-2.2 1,-0.2 4,-0.3 0.904 110.2 50.5 -66.9 -38.4 33.4 28.1 12.5 57 91 A R H ><5S+ 0 0 112 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.909 104.4 57.7 -64.1 -40.0 30.2 26.3 13.4 58 92 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 104.8 53.1 -56.5 -37.3 29.5 25.8 9.8 59 93 A A T 3<5S- 0 0 34 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.505 133.1 -89.2 -77.1 -6.8 32.9 24.1 9.5 60 94 A G T < 5S+ 0 0 33 -3,-1.9 -43,-0.4 1,-0.3 2,-0.3 0.339 78.1 141.2 117.2 -9.0 32.0 21.7 12.3 61 95 A V < + 0 0 2 -5,-2.2 -1,-0.3 1,-0.2 -43,-0.2 -0.527 16.7 170.3 -71.6 129.6 33.1 23.4 15.5 62 96 A R + 0 0 121 -45,-2.6 27,-2.4 1,-0.3 2,-0.3 0.757 62.7 22.9-106.1 -36.0 30.8 22.9 18.4 63 97 A T E -bc 18 89B 1 -46,-2.0 -44,-2.4 25,-0.2 2,-0.4 -0.977 55.2-167.2-137.1 148.4 32.7 24.4 21.4 64 98 A I E -bc 19 90B 0 25,-2.3 27,-2.3 -2,-0.3 2,-0.7 -0.968 18.1-139.3-130.8 145.3 35.5 26.9 22.0 65 99 A V E - c 0 91B 0 -46,-2.4 -43,-2.1 -2,-0.4 2,-0.8 -0.931 14.2-152.7-104.9 114.9 37.5 27.4 25.2 66 100 A D E -b 22 0B 2 25,-3.0 27,-0.3 -2,-0.7 -43,-0.2 -0.811 9.1-170.3 -90.4 112.2 38.1 31.1 25.7 67 101 A V + 0 0 0 -45,-2.3 2,-0.4 -2,-0.8 -44,-0.1 0.105 37.4 133.2 -90.2 22.1 41.3 31.2 27.8 68 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.629 39.7-161.6 -75.2 127.0 41.0 34.9 28.5 69 103 A T > > - 0 0 0 -2,-0.4 5,-1.8 23,-0.1 3,-1.6 -0.385 40.9 -83.6 -96.8 179.8 41.7 35.5 32.2 70 104 A F G > 5S+ 0 0 63 25,-0.6 3,-1.7 1,-0.3 -40,-0.1 0.909 131.7 50.9 -48.5 -48.9 40.8 38.6 34.3 71 105 A D G 3 5S+ 0 0 2 1,-0.3 -1,-0.3 24,-0.3 -42,-0.2 0.563 100.6 61.6 -70.5 -10.4 44.0 40.3 33.1 72 106 A I G < 5S- 0 0 6 -3,-1.6 -45,-2.1 -44,-0.2 -1,-0.3 0.317 122.1-109.5 -93.9 3.7 43.2 39.5 29.4 73 107 A G T < 5 - 0 0 12 -3,-1.7 -45,-0.2 -46,-0.2 -41,-0.2 0.753 47.3-170.2 74.1 23.5 40.1 41.7 30.0 74 108 A R < - 0 0 14 -5,-1.8 2,-0.5 -47,-0.1 -1,-0.2 -0.200 7.6-166.6 -47.4 126.9 37.7 38.7 29.9 75 109 A D >> - 0 0 11 1,-0.1 4,-2.0 -50,-0.1 3,-0.8 -0.871 4.4-170.5-122.6 93.1 34.1 39.9 29.8 76 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-3.1 1,-0.3 5,-0.2 0.763 84.6 59.6 -57.2 -28.4 31.8 36.9 30.5 77 111 A S H 3> S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.901 106.2 48.0 -67.1 -37.3 28.7 38.8 29.6 78 112 A L H <> S+ 0 0 2 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.939 111.9 50.6 -64.6 -45.5 30.1 39.3 26.2 79 113 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.935 110.4 48.8 -58.1 -47.2 31.0 35.7 26.0 80 114 A A H X S+ 0 0 13 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.931 111.5 50.0 -61.1 -43.2 27.5 34.7 27.1 81 115 A E H X S+ 0 0 99 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.944 114.0 43.1 -59.7 -47.9 25.9 37.0 24.5 82 116 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.862 110.2 56.3 -68.6 -35.3 28.0 35.8 21.6 83 117 A S H X>S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 5,-1.4 0.918 111.3 45.0 -63.3 -42.9 27.6 32.1 22.6 84 118 A R H <5S+ 0 0 159 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.924 114.6 46.8 -65.7 -47.3 23.8 32.4 22.5 85 119 A A H <5S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.838 121.5 36.0 -66.7 -34.1 23.7 34.3 19.2 86 120 A A H <5S- 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.615 100.3-130.8 -94.2 -16.2 26.1 32.0 17.4 87 121 A D T <5 + 0 0 83 -4,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.925 62.6 131.2 63.7 47.8 24.9 28.8 19.1 88 122 A V < - 0 0 2 -5,-1.4 -1,-0.3 -6,-0.2 -25,-0.2 -0.995 60.0-119.3-129.1 134.7 28.4 27.7 20.0 89 123 A H E -c 63 0B 30 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.4 -0.544 28.6-163.2 -74.8 142.4 29.4 26.5 23.5 90 124 A I E -c 64 0B 0 -27,-0.2 -84,-2.4 -2,-0.2 2,-0.5 -0.990 8.1-154.5-131.3 124.7 32.0 28.6 25.2 91 125 A V E -c 65 0B 0 -27,-2.3 -25,-3.0 -2,-0.4 2,-0.2 -0.855 17.1-148.5 -97.0 130.1 34.0 27.6 28.2 92 126 A A - 0 0 1 -2,-0.5 40,-3.1 38,-0.4 41,-0.7 -0.547 11.1-140.3 -95.0 159.4 35.3 30.5 30.3 93 127 A A E -e 133 0D 0 -25,-0.6 41,-0.2 -27,-0.3 2,-0.2 -0.828 13.8-161.8-124.7 164.7 38.5 30.5 32.3 94 128 A T E +e 134 0D 0 39,-2.2 41,-2.7 -2,-0.3 2,-0.2 -0.485 49.3 83.3-120.3-172.3 40.0 31.7 35.6 95 129 A G E S-e 135 0D 0 39,-0.2 -25,-0.6 -2,-0.2 2,-0.3 -0.579 73.4 -84.8 106.6-170.4 43.8 32.1 36.3 96 130 A L - 0 0 1 39,-1.4 41,-0.4 -2,-0.2 -2,-0.1 -0.998 28.9-161.1-142.4 142.6 46.1 34.9 35.5 97 131 A W - 0 0 39 -2,-0.3 40,-0.2 39,-0.2 -27,-0.0 0.084 50.3 -70.8 -99.6-149.3 48.1 35.8 32.4 98 132 A F S S+ 0 0 80 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.256 115.3 65.1-101.8 22.9 51.1 38.1 32.2 99 133 A D + 0 0 86 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.250 62.5 161.8-131.3 48.7 49.6 41.5 32.9 100 134 A P - 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0 0 54 0, 0.0 2,-0.4 0, 0.0 -164,-0.2 -0.262 43.1-174.6 -53.9 128.3 36.6 17.8 35.8 327 361 A T - 0 0 55 -166,-2.4 2,-0.3 -4,-0.1 -166,-0.2 -0.939 17.4-150.9-139.4 120.3 38.7 15.0 37.3 328 362 A L - 0 0 104 -2,-0.4 2,-0.1 -168,-0.1 -170,-0.1 -0.601 28.0-114.2 -86.0 142.5 39.7 14.5 40.9 329 363 A R 0 0 264 -171,-0.3 -1,-0.1 -2,-0.3 -142,-0.0 -0.453 360.0 360.0 -73.5 146.2 42.9 12.6 41.6 330 364 A A 0 0 136 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.720 360.0 360.0 -70.3 360.0 42.7 9.2 43.4