==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-APR-11 2YG6 . COMPND 2 MOLECULE: PUTRESCINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR M.M.KOPACZ,S.ROVIDA,E.VAN DUIJN,M.W.FRAAIJE,A.MATTEVI . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 56 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 6 0 1 4 3 3 3 2 0 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 6 2 0 0 0 2 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 . 5 3 4 7 3 2 0 2 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 . 4 2 0 0 0 2 0 2 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 2 A P 0 0 82 0, 0.0 252,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.6 70.5 -30.2 -30.7 2 3 A T E +a 253 0A 84 250,-0.2 2,-0.3 252,-0.1 252,-0.2 -0.993 360.0 176.5-126.1 134.0 68.9 -29.1 -33.9 3 4 A L E -a 254 0A 29 250,-2.4 252,-2.9 -2,-0.4 2,-0.4 -0.909 25.5-134.1-134.2 162.0 65.1 -29.5 -34.7 4 5 A Q E +a 255 0A 117 -2,-0.3 2,-0.3 250,-0.2 252,-0.2 -0.945 32.5 159.5-113.3 138.4 62.4 -28.8 -37.2 5 6 A R E -a 256 0A 60 250,-2.4 252,-0.7 -2,-0.4 25,-0.2 -0.969 47.9-124.9-150.1 157.0 59.1 -27.4 -36.2 6 7 A D E S+ 0 0 65 23,-0.7 252,-1.8 -2,-0.3 251,-1.0 0.905 101.8 20.3 -64.4 -41.5 56.3 -25.5 -37.8 7 8 A V E -ab 258 30A 1 22,-2.1 24,-1.6 250,-0.2 2,-0.5 -0.988 62.8-159.2-138.5 123.6 56.6 -22.8 -35.3 8 9 A A E -ab 259 31A 0 250,-2.4 252,-2.8 -2,-0.4 2,-0.5 -0.900 17.3-160.4 -98.1 134.6 59.4 -21.7 -33.0 9 10 A I E -ab 260 32A 0 22,-3.2 24,-3.2 -2,-0.5 2,-0.7 -0.976 7.4-150.4-120.4 122.6 58.2 -19.7 -30.0 10 11 A V E +ab 261 33A 10 250,-2.8 252,-2.0 -2,-0.5 24,-0.2 -0.856 68.7 25.4 -93.8 115.1 60.5 -17.4 -28.0 11 12 A G - 0 0 8 22,-3.2 23,-0.2 -2,-0.7 2,-0.1 0.438 60.8-137.4 104.2 125.4 59.4 -17.2 -24.4 12 13 A A + 0 0 0 26,-0.2 28,-3.2 4,-0.1 29,-0.2 -0.337 59.9 123.2-108.2 53.6 57.3 -19.4 -22.2 13 14 A G B > S-i 40 0B 16 249,-0.4 4,-2.5 26,-0.2 5,-0.2 -0.359 86.3 -80.1 -82.2-178.3 55.1 -16.8 -20.5 14 15 A I H > S+ 0 0 7 26,-0.6 4,-3.2 1,-0.2 5,-0.3 0.881 130.9 53.2 -45.8 -47.1 51.4 -17.1 -20.7 15 16 A S H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 112.0 41.4 -67.5 -46.0 51.4 -15.6 -24.2 16 17 A G H > S+ 0 0 0 246,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.906 117.5 48.9 -62.8 -42.7 53.9 -18.0 -25.8 17 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.909 109.5 49.9 -67.5 -43.3 52.4 -21.0 -24.0 18 19 A A H X S+ 0 0 2 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.880 111.6 51.0 -64.5 -35.3 48.8 -20.2 -25.0 19 20 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.937 111.2 46.8 -63.6 -44.8 50.0 -19.8 -28.6 20 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.917 112.0 52.1 -61.1 -45.8 51.8 -23.2 -28.4 21 22 A T H X S+ 0 0 29 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.933 111.5 44.4 -57.3 -52.6 48.8 -24.8 -26.9 22 23 A A H X S+ 0 0 25 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.896 113.3 53.2 -61.9 -39.2 46.4 -23.5 -29.6 23 24 A L H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 3,-0.3 0.901 107.2 50.2 -60.2 -43.5 49.0 -24.5 -32.3 24 25 A R H ><5S+ 0 0 105 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.913 103.8 58.8 -68.9 -34.1 49.3 -28.1 -31.1 25 26 A K H 3<5S+ 0 0 147 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.847 105.6 51.2 -64.3 -30.7 45.5 -28.5 -31.1 26 27 A A T 3<5S- 0 0 48 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.447 122.4-106.4 -84.6 2.4 45.6 -27.6 -34.8 27 28 A G T < 5S+ 0 0 62 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.558 75.0 133.9 85.0 5.2 48.3 -30.2 -35.5 28 29 A L < - 0 0 40 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.2 -0.684 54.2-123.7 -86.3 145.3 51.3 -27.9 -36.0 29 30 A S - 0 0 40 -2,-0.3 -22,-2.1 -21,-0.0 -23,-0.7 -0.635 34.0-174.5 -85.2 152.4 54.5 -28.8 -34.3 30 31 A V E -b 7 0A 0 -2,-0.2 2,-0.4 -24,-0.2 -22,-0.2 -0.929 24.1-159.2-142.2 154.0 56.2 -26.3 -31.9 31 32 A A E -b 8 0A 0 -24,-1.6 -22,-3.2 -2,-0.3 2,-0.5 -0.991 11.8-158.8-134.2 140.4 59.2 -25.5 -29.8 32 33 A V E -bc 9 228A 0 195,-3.2 197,-2.6 -2,-0.4 2,-0.5 -0.990 8.4-164.3-120.1 122.5 59.0 -23.0 -27.0 33 34 A I E -bc 10 229A 1 -24,-3.2 -22,-3.2 -2,-0.5 2,-0.4 -0.962 8.0-173.0-118.7 125.7 62.4 -21.7 -26.0 34 35 A E - 0 0 10 195,-2.7 198,-2.8 -2,-0.5 -2,-0.0 -0.936 23.7-149.9-131.8 131.8 62.7 -19.8 -22.7 35 36 A A S S+ 0 0 19 -2,-0.4 -1,-0.1 196,-0.2 4,-0.1 0.857 75.9 69.8 -69.2 -40.3 65.6 -17.9 -21.1 36 37 A R S S- 0 0 23 2,-0.3 195,-2.9 196,-0.2 196,-0.3 -0.127 89.1-111.6 -81.9 173.6 64.8 -18.6 -17.5 37 38 A D S S+ 0 0 120 193,-0.2 2,-0.3 194,-0.1 193,-0.1 0.224 101.3 34.8 -85.0 15.8 65.0 -21.8 -15.4 38 39 A R S S- 0 0 26 6,-0.0 -2,-0.3 0, 0.0 2,-0.2 -0.960 80.7-114.7-156.1 165.3 61.2 -21.8 -15.2 39 40 A V S S+ 0 0 12 -2,-0.3 -26,-0.2 1,-0.1 179,-0.1 -0.600 77.6 71.2 -96.3 170.8 58.1 -21.0 -17.2 40 41 A G B > -i 13 0B 2 -28,-3.2 3,-1.7 -2,-0.2 -26,-0.6 -0.107 62.1-160.4 119.5 -34.1 55.5 -18.2 -16.4 41 42 A G T 3 S+ 0 0 9 1,-0.3 -28,-0.1 -28,-0.2 349,-0.1 -0.419 81.5 11.7 60.7-118.6 57.4 -15.0 -17.1 42 43 A R T 3 S+ 0 0 53 -2,-0.3 15,-2.1 14,-0.1 2,-0.4 0.472 122.9 75.9 -78.3 1.3 55.7 -12.1 -15.2 43 44 A T < + 0 0 5 -3,-1.7 2,-0.3 13,-0.3 15,-0.1 -0.948 62.9 154.3-107.5 136.6 53.7 -14.7 -13.3 44 45 A W - 0 0 53 -2,-0.4 11,-2.4 13,-0.3 12,-0.8 -0.865 31.9-155.6-165.3 124.0 55.6 -16.5 -10.6 45 46 A T E +J 54 0C 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.880 30.0 163.6-101.2 131.3 54.8 -18.3 -7.4 46 47 A D E -J 53 0C 53 7,-2.5 7,-2.9 -2,-0.5 2,-0.6 -0.965 36.7-123.8-146.4 162.6 57.7 -18.4 -4.9 47 48 A T E -J 52 0C 78 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.930 23.8-171.4-115.8 112.6 58.3 -19.1 -1.3 48 49 A I E > S-J 51 0C 30 3,-3.0 3,-1.3 -2,-0.6 -2,-0.0 -0.913 75.1 -20.3-110.1 114.7 60.1 -16.4 0.6 49 50 A D T 3 S- 0 0 128 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.934 130.7 -49.2 53.6 43.4 61.2 -17.2 4.1 50 51 A G T 3 S+ 0 0 66 -3,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.526 116.2 115.4 75.8 6.4 58.7 -20.1 4.2 51 52 A A E < -J 48 0C 5 -3,-1.3 -3,-3.0 248,-0.0 2,-0.3 -0.964 63.3-133.3-109.9 124.1 55.8 -17.9 3.0 52 53 A V E +J 47 0C 71 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.559 35.5 174.3 -71.5 133.4 54.2 -18.7 -0.4 53 54 A L E -J 46 0C 3 -7,-2.9 -7,-2.5 -2,-0.3 2,-0.8 -0.967 38.5-125.0-143.3 152.3 53.7 -15.5 -2.4 54 55 A E E -J 45 0C 8 -2,-0.3 -9,-0.2 -9,-0.2 328,-0.1 -0.893 26.1-175.6-101.1 104.3 52.6 -14.5 -5.8 55 56 A I + 0 0 3 -11,-2.4 -1,-0.2 -2,-0.8 -10,-0.1 0.761 65.7 17.2 -76.0 -25.4 55.5 -12.4 -7.0 56 57 A G S S- 0 0 11 -12,-0.8 -13,-0.3 1,-0.3 157,-0.1 -0.106 112.7 -8.1-124.6-144.7 53.9 -11.4 -10.3 57 58 A G + 0 0 31 -15,-2.1 -1,-0.3 1,-0.1 -13,-0.3 -0.173 60.1 145.5 -58.5 149.4 50.4 -11.2 -12.0 58 59 A Q + 0 0 6 1,-0.2 151,-0.5 155,-0.1 2,-0.4 0.500 31.4 95.3-159.6 -23.2 47.6 -12.9 -10.0 59 60 A W - 0 0 34 149,-0.1 2,-0.4 147,-0.0 149,-0.2 -0.744 45.6-160.6 -96.2 143.3 44.2 -11.2 -10.2 60 61 A V B -K 207 0D 5 147,-2.6 147,-2.0 -2,-0.4 146,-0.1 -0.951 6.6-157.4-119.7 128.2 41.3 -12.2 -12.5 61 62 A S > - 0 0 2 -2,-0.4 3,-1.8 145,-0.2 143,-0.1 -0.615 31.4-107.4-103.1 163.7 38.4 -9.8 -13.3 62 63 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 142,-0.1 0.760 115.5 55.1 -68.2 -19.6 35.0 -10.9 -14.6 63 64 A D T 3 S+ 0 0 31 129,-0.2 2,-1.9 1,-0.2 3,-0.3 0.415 78.4 98.1 -88.5 5.9 35.5 -9.6 -18.1 64 65 A Q <> + 0 0 6 -3,-1.8 4,-2.2 1,-0.2 3,-0.2 -0.469 44.7 157.3 -92.5 68.5 38.7 -11.6 -18.6 65 66 A T H > + 0 0 77 -2,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.794 63.1 57.4 -69.8 -29.8 36.9 -14.3 -20.4 66 67 A A H > S+ 0 0 12 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.921 112.4 42.1 -67.2 -42.3 39.8 -15.7 -22.3 67 68 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 111.8 54.6 -69.8 -41.2 41.7 -16.4 -19.1 68 69 A I H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.900 110.6 46.8 -61.0 -41.5 38.6 -17.7 -17.4 69 70 A S H X S+ 0 0 73 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.950 111.0 51.9 -62.0 -46.4 38.1 -20.3 -20.2 70 71 A L H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.892 108.6 50.1 -56.4 -42.8 41.7 -21.2 -20.1 71 72 A L H <>S+ 0 0 5 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.915 111.7 49.2 -61.8 -45.0 41.6 -21.9 -16.3 72 73 A D H ><5S+ 0 0 129 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.935 109.5 51.3 -58.5 -48.7 38.5 -24.0 -16.8 73 74 A E H 3<5S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 111.7 47.3 -61.9 -28.7 40.1 -26.0 -19.5 74 75 A L T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.408 118.0-108.8 -95.2 2.3 43.2 -26.7 -17.4 75 76 A G T < 5 + 0 0 54 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.765 69.7 144.1 77.4 28.6 41.1 -27.7 -14.3 76 77 A L < - 0 0 12 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.829 31.6-158.5-103.6 142.6 41.9 -24.6 -12.2 77 78 A K - 0 0 158 -2,-0.4 133,-2.9 133,-0.3 2,-0.3 -0.758 6.6-136.0-114.0 163.9 39.5 -22.9 -9.9 78 79 A T E -L 209 0D 53 -2,-0.3 2,-0.3 131,-0.3 131,-0.2 -0.748 8.5-162.5-114.8 160.0 39.3 -19.4 -8.4 79 80 A F E -L 208 0D 31 129,-2.1 129,-2.6 -2,-0.3 2,-0.3 -0.949 27.1-112.7-132.5 159.6 38.6 -17.8 -5.0 80 81 A E E -L 207 0D 114 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.655 26.6-108.1-100.1 150.6 37.7 -14.2 -4.3 81 82 A R - 0 0 4 125,-2.3 2,-0.1 124,-0.3 246,-0.1 -0.574 45.6-100.9 -67.9 133.7 39.7 -11.6 -2.5 82 83 A Y + 0 0 55 -2,-0.3 244,-0.3 246,-0.1 -1,-0.1 -0.361 50.0 163.9 -56.1 127.2 38.3 -10.8 0.9 83 84 A R + 0 0 57 -2,-0.1 2,-0.3 242,-0.1 228,-0.2 0.086 23.5 130.3-136.6 23.1 36.2 -7.5 0.8 84 85 A E + 0 0 134 227,-0.2 2,-0.2 226,-0.1 -2,-0.0 -0.578 60.3 7.6 -85.0 141.5 34.1 -7.5 4.0 85 86 A G S S- 0 0 42 -2,-0.3 2,-0.3 225,-0.1 225,-0.3 -0.595 102.6 -17.4 94.3-155.6 34.1 -4.5 6.2 86 87 A E E -m 310 0E 68 223,-2.8 225,-2.5 -2,-0.2 226,-0.7 -0.718 45.9-147.1-107.8 142.8 35.5 -1.0 5.7 87 88 A S E - N 0 99E 11 12,-2.6 12,-2.2 -2,-0.3 2,-0.5 -0.585 22.3-124.4 -90.0 158.0 38.1 0.3 3.3 88 89 A V E -mN 314 98E 0 225,-2.6 227,-2.4 -2,-0.2 2,-0.4 -0.938 19.6-168.6-112.0 132.7 40.4 3.2 4.2 89 90 A Y E -mN 315 97E 2 8,-2.5 8,-2.5 -2,-0.5 2,-0.5 -0.969 5.1-162.1-113.7 129.6 40.8 6.4 2.2 90 91 A I E - N 0 96E 4 225,-2.2 228,-0.4 -2,-0.4 227,-0.4 -0.973 19.1-146.7-107.7 119.3 43.6 9.0 2.9 91 92 A S > - 0 0 10 4,-2.6 3,-1.3 -2,-0.5 227,-0.1 -0.106 28.1-102.8 -78.2 175.3 42.9 12.4 1.4 92 93 A S T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 224,-0.0 0.792 124.2 59.8 -66.7 -26.3 45.3 14.9 -0.1 93 94 A A T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.482 122.7-108.0 -84.0 2.0 44.9 16.8 3.2 94 95 A G S < S+ 0 0 52 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.602 70.1 148.3 87.1 11.2 46.3 13.7 5.1 95 96 A E - 0 0 124 1,-0.0 -4,-2.6 2,-0.0 2,-0.6 -0.599 36.7-148.7 -87.4 139.6 42.8 12.9 6.5 96 97 A R E +N 90 0E 122 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.898 20.8 172.5-118.6 118.7 42.1 9.4 7.1 97 98 A T E -N 89 0E 38 -8,-2.5 -8,-2.5 -2,-0.6 2,-0.3 -0.958 26.0-137.9-131.3 132.5 38.5 8.0 6.8 98 99 A R E +N 88 0E 94 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.632 38.0 153.7 -80.0 143.3 36.8 4.6 6.8 99 100 A Y E -N 87 0E 22 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.3 -0.984 29.5-149.8-158.8 166.6 34.1 3.9 4.2 100 101 A T + 0 0 94 -2,-0.3 3,-0.3 -14,-0.2 2,-0.2 -0.926 53.9 41.2-133.5 166.4 32.3 1.3 2.2 101 102 A G S S- 0 0 57 -2,-0.3 -2,-0.0 1,-0.2 -14,-0.0 -0.528 96.3 -38.5 96.4-161.2 30.7 1.5 -1.2 102 103 A D S S+ 0 0 136 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.677 105.7 44.1 -93.7 -20.4 31.5 2.9 -4.6 103 104 A S S S- 0 0 48 -3,-0.3 -3,-0.1 3,-0.0 8,-0.0 -0.788 83.1 -95.4-123.0 167.7 33.0 6.4 -4.1 104 105 A F - 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0 0 15 -2,-0.3 2,-2.5 1,-0.1 -2,-0.1 -0.565 38.5-111.4 -86.1 144.9 61.9 35.5 -40.8 555 106 B P + 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.325 69.7 130.5 -77.8 64.6 59.7 37.8 -43.0 556 107 B T - 0 0 21 -2,-2.5 -3,-0.0 1,-0.2 -15,-0.0 -0.472 68.9 -70.6 -96.8-177.7 56.5 37.4 -41.1 557 108 B N > - 0 0 91 -2,-0.2 4,-2.2 1,-0.1 -1,-0.2 -0.275 53.5-100.0 -68.4 168.7 54.2 40.2 -39.9 558 109 B E H > S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.708 119.4 56.8 -70.2 -22.3 55.4 42.4 -37.0 559 110 B T H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.6 40.9 -71.0 -55.8 53.3 40.5 -34.4 560 111 B T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.888 112.8 55.9 -52.8 -46.1 54.7 37.1 -35.1 561 112 B K H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.879 110.9 46.4 -55.1 -36.6 58.2 38.6 -35.4 562 113 B K H X S+ 0 0 154 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.869 110.8 48.6 -82.0 -42.6 57.8 40.0 -31.9 563 114 B E H X S+ 0 0 40 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.897 112.3 52.4 -56.3 -43.7 56.4 36.8 -30.3 564 115 B M H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.938 109.1 47.4 -60.4 -51.1 59.3 35.0 -31.9 565 116 B D H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.878 113.1 50.7 -56.2 -37.8 61.9 37.4 -30.5 566 117 B R H X S+ 0 0 100 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.937 111.4 45.1 -71.4 -43.6 60.3 37.1 -27.1 567 118 B L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.903 112.6 53.0 -63.7 -41.0 60.3 33.3 -27.1 568 119 B I H X S+ 0 0 18 -4,-2.8 4,-2.3 -5,-0.2 78,-0.2 0.931 110.0 47.3 -62.5 -41.7 63.8 33.3 -28.3 569 120 B D H X S+ 0 0 91 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 112.2 50.4 -63.8 -45.8 64.9 35.6 -25.5 570 121 B E H X S+ 0 0 67 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 110.7 48.8 -56.9 -48.0 63.0 33.4 -23.0 571 122 B M H X S+ 0 0 1 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.904 111.8 50.2 -57.4 -42.7 64.7 30.3 -24.3 572 123 B D H X S+ 0 0 32 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.891 110.8 48.4 -66.5 -39.1 68.1 32.0 -24.1 573 124 B D H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.962 112.2 47.7 -67.6 -49.2 67.5 33.1 -20.5 574 125 B L H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.931 113.5 49.4 -55.8 -47.7 66.4 29.6 -19.4 575 126 B A H X S+ 0 0 6 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.829 109.5 50.5 -59.9 -39.1 69.4 28.0 -21.1 576 127 B A H < S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.926 117.1 41.4 -69.0 -42.0 71.8 30.5 -19.5 577 128 B Q H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.893 122.1 36.5 -64.4 -45.9 70.3 29.7 -16.0 578 129 B I H < S- 0 0 13 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.877 90.8-166.1 -89.6 -35.0 69.9 25.9 -16.3 579 130 B G < - 0 0 25 -4,-1.6 61,-0.2 -5,-0.3 62,-0.2 0.010 30.3 -96.3 75.2 174.7 73.0 24.9 -18.3 580 131 B A S S+ 0 0 13 60,-0.3 -1,-0.1 2,-0.1 61,-0.1 0.560 105.6 72.6-107.0 -14.7 73.9 21.7 -20.1 581 132 B E S S- 0 0 82 1,-0.2 -2,-0.1 295,-0.1 -1,-0.1 0.911 123.8 -5.8 -74.9 -41.3 76.0 19.9 -17.5 582 133 B E > + 0 0 111 -4,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.387 67.3 163.5-155.2 67.3 73.1 19.0 -15.2 583 134 B P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.833 76.5 62.4 -57.0 -36.2 69.8 20.5 -16.3 584 135 B W G 3 S+ 0 0 47 1,-0.3 6,-0.1 269,-0.2 9,-0.1 0.628 93.9 66.4 -64.8 -17.1 67.8 18.2 -14.0 585 136 B A G < S+ 0 0 55 -3,-1.8 -1,-0.3 -7,-0.2 5,-0.0 0.722 78.2 99.4 -81.7 -18.1 69.5 19.7 -11.0 586 137 B H S X S- 0 0 45 -3,-1.3 3,-1.8 -4,-0.4 4,-0.5 -0.342 79.4-124.5 -71.3 142.4 68.0 23.2 -11.3 587 138 B P T 3 S+ 0 0 126 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.770 113.7 51.5 -55.8 -26.1 65.0 24.2 -9.1 588 139 B L T 3> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.1 3,-0.3 0.612 88.4 89.8 -82.5 -12.1 63.0 25.0 -12.3 589 140 B A H <> S+ 0 0 0 -3,-1.8 4,-1.7 1,-0.2 44,-0.2 0.841 78.9 53.8 -59.3 -43.1 63.8 21.6 -13.9 590 141 B R H > S+ 0 0 100 -4,-0.5 4,-0.8 -3,-0.3 -1,-0.2 0.908 110.0 45.2 -62.4 -44.0 60.8 19.6 -12.6 591 142 B D H 4 S+ 0 0 125 -4,-0.3 3,-0.3 -3,-0.3 -1,-0.2 0.860 116.1 47.7 -72.0 -31.6 58.1 21.9 -13.9 592 143 B L H < S+ 0 0 19 -4,-1.6 41,-2.0 1,-0.2 40,-0.8 0.722 109.5 52.9 -75.2 -26.1 59.9 22.2 -17.2 593 144 B D H < S+ 0 0 0 -4,-1.7 -1,-0.2 39,-0.2 -2,-0.2 0.565 105.9 53.1 -90.3 -6.6 60.4 18.4 -17.6 594 145 B T S < S+ 0 0 9 -4,-0.8 2,-0.4 -3,-0.3 -1,-0.2 0.260 98.0 70.8-113.4 12.4 56.8 17.5 -17.0 595 146 B V S S- 0 0 20 -3,-0.4 37,-2.0 -4,-0.1 38,-0.3 -0.978 86.4-118.5-119.6 138.2 55.3 19.7 -19.6 596 147 B S B > -L 631 0L 16 -2,-0.4 4,-2.5 35,-0.3 35,-0.3 -0.312 23.0-117.4 -69.5 161.2 55.8 18.9 -23.4 597 148 B F H > S+ 0 0 1 33,-2.7 4,-2.7 30,-0.9 5,-0.2 0.965 117.4 54.4 -65.7 -44.0 57.6 21.5 -25.5 598 149 B K H > S+ 0 0 73 29,-1.9 4,-2.1 32,-0.3 -1,-0.2 0.890 110.3 45.3 -46.0 -49.9 54.4 21.9 -27.5 599 150 B Q H > S+ 0 0 29 28,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.845 110.2 53.8 -71.6 -35.2 52.4 22.6 -24.4 600 151 B W H X S+ 0 0 14 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.885 106.7 51.5 -65.1 -39.0 55.0 25.0 -23.1 601 152 B L H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.939 109.9 50.6 -64.6 -44.2 54.9 26.9 -26.3 602 153 B I H < S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 108.9 51.2 -56.8 -38.4 51.1 27.1 -25.9 603 154 B N H < S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 115.1 44.4 -72.6 -27.0 51.5 28.4 -22.3 604 155 B Q H < S+ 0 0 51 -4,-1.6 2,-0.3 -3,-0.4 -2,-0.2 0.791 120.6 13.8 -81.4 -35.7 53.9 31.1 -23.5 605 156 B S < - 0 0 5 -4,-2.1 -1,-0.2 -5,-0.1 6,-0.0 -0.999 43.6-149.8-154.4 142.2 52.2 32.5 -26.7 606 157 B D S S+ 0 0 158 -2,-0.3 2,-0.9 -3,-0.1 -1,-0.1 0.465 71.9 103.7 -85.3 -9.6 48.9 32.6 -28.6 607 158 B D > - 0 0 30 1,-0.2 4,-2.3 -48,-0.1 5,-0.2 -0.664 52.8-166.9 -82.5 104.5 50.7 33.0 -32.0 608 159 B A H > S+ 0 0 51 -2,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.852 86.4 52.3 -55.3 -39.9 50.5 29.6 -33.8 609 160 B E H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 108.3 48.8 -71.5 -40.2 53.0 30.6 -36.4 610 161 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 112.2 49.7 -66.1 -39.4 55.6 31.7 -33.9 611 162 B R H X S+ 0 0 56 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.933 110.9 50.3 -64.5 -43.0 55.2 28.4 -32.0 612 163 B D H X S+ 0 0 82 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.6 47.7 -59.0 -41.2 55.6 26.4 -35.2 613 164 B N H X S+ 0 0 1 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.929 110.6 49.5 -71.8 -45.5 58.7 28.3 -36.1 614 165 B I H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.9 0.951 111.5 50.8 -49.3 -52.6 60.3 27.9 -32.7 615 166 B G H >X>S+ 0 0 9 -4,-2.7 4,-2.2 1,-0.2 3,-0.9 0.902 99.2 67.5 -50.1 -42.4 59.5 24.2 -32.9 616 167 B L H 3<>S+ 0 0 4 -4,-2.3 5,-1.6 1,-0.3 -1,-0.2 0.861 102.2 45.3 -51.1 -40.5 61.1 24.1 -36.3 617 168 B F H <<5S+ 0 0 14 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.764 127.7 24.1 -80.2 -25.2 64.5 24.7 -34.8 618 169 B I H S+ 0 0 0 -4,-1.0 5,-2.6 -3,-0.9 4,-1.2 0.851 126.8 36.8-102.9 -50.3 64.2 22.3 -31.9 619 170 B A I <>S+ 0 0 8 -4,-2.2 6,-1.4 3,-0.2 5,-1.0 0.997 135.5 16.9 -67.9 -67.3 61.7 19.5 -32.8 620 171 B G I 4 - 0 0 9 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.420 36.9-118.9 -72.7 150.2 57.6 16.0 -32.7 627 178 B A G > S+ 0 0 21 1,-0.3 -29,-1.9 2,-0.2 -30,-0.9 0.697 109.6 63.2 -59.8 -26.0 57.2 18.8 -30.0 628 179 B H G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -31,-0.2 -32,-0.1 0.682 100.1 56.6 -72.6 -11.4 54.4 17.1 -28.2 629 180 B S G < S+ 0 0 9 -3,-2.3 221,-0.7 -33,-0.1 2,-0.3 0.447 101.4 48.0-107.1 1.2 56.7 14.2 -27.3 630 181 B F S < S- 0 0 0 -3,-0.6 -33,-2.7 -4,-0.2 -32,-0.3 -0.922 83.9-104.0-132.4 164.8 59.7 15.8 -25.4 631 182 B S B > -L 596 0L 0 -2,-0.3 4,-2.0 -35,-0.3 -35,-0.3 -0.361 21.8-113.8 -90.2 166.1 59.7 18.2 -22.6 632 183 B A H > S+ 0 0 2 -37,-2.0 4,-2.6 -40,-0.8 -39,-0.2 0.902 119.3 58.9 -58.8 -31.3 60.4 22.0 -22.3 633 184 B L H > S+ 0 0 0 -41,-2.0 4,-2.7 -38,-0.3 5,-0.2 0.943 102.7 51.3 -66.7 -41.1 63.5 20.9 -20.2 634 185 B Q H > S+ 0 0 0 -42,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 108.0 52.5 -60.8 -39.9 64.8 18.9 -23.2 635 186 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 111.4 47.0 -59.1 -43.6 64.4 22.0 -25.4 636 187 B V H X S+ 0 0 1 -4,-2.6 4,-3.8 1,-0.2 5,-0.3 0.917 109.4 52.6 -62.7 -43.5 66.4 24.1 -22.9 637 188 B L H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.913 108.5 51.9 -60.2 -38.6 69.1 21.4 -22.6 638 189 B M H X S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.974 113.2 43.7 -64.6 -46.7 69.4 21.5 -26.4 639 190 B A H ><>S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 5,-1.0 0.937 115.3 48.3 -63.3 -45.2 69.8 25.3 -26.4 640 191 B A H ><5S+ 0 0 15 -4,-3.8 3,-1.9 1,-0.2 -60,-0.3 0.925 105.4 59.4 -62.0 -39.9 72.2 25.3 -23.5 641 192 B S H 3<5S+ 0 0 1 -4,-2.9 237,-2.6 -5,-0.3 -1,-0.2 0.693 109.2 43.8 -63.8 -18.9 74.3 22.5 -25.1 642 193 B A T <<5S- 0 0 5 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.285 124.8 -96.7-109.6 8.7 75.0 24.7 -28.2 643 194 B G T < 5S- 0 0 46 -3,-1.9 2,-0.2 -4,-0.3 -3,-0.2 0.039 90.7 -14.2 102.8 -27.7 75.7 27.9 -26.3 644 195 B S >< - 0 0 21 -5,-1.0 4,-0.7 -6,-0.2 -72,-0.1 -0.874 67.3-100.7 173.3 162.3 72.2 29.5 -26.6 645 196 B F H >> S+ 0 0 0 -2,-0.2 3,-2.3 -77,-0.2 4,-1.6 0.947 119.0 62.1 -64.4 -43.7 69.0 29.1 -28.4 646 197 B S H >> S+ 0 0 45 1,-0.3 4,-1.6 -78,-0.2 3,-0.5 0.892 97.6 58.5 -51.6 -41.5 69.9 32.0 -30.6 647 198 B H H 34 S+ 0 0 57 1,-0.2 7,-0.9 2,-0.2 -1,-0.3 0.851 106.1 48.2 -52.7 -32.5 72.8 29.9 -31.8 648 199 B L H << S+ 0 0 7 -3,-2.3 -1,-0.2 -4,-0.7 -2,-0.2 0.780 108.3 54.8 -81.9 -25.2 70.3 27.2 -32.9 649 200 B V H << S+ 0 0 26 -4,-1.6 2,-0.9 -3,-0.5 -1,-0.2 0.794 96.9 72.9 -75.6 -29.1 68.2 29.7 -34.7 650 201 B D >X - 0 0 43 -4,-1.6 3,-2.5 -5,-0.2 4,-1.8 -0.739 59.8-168.2 -96.7 104.4 71.1 31.0 -36.8 651 202 B E H 3> S+ 0 0 26 -2,-0.9 4,-1.4 1,-0.3 -1,-0.2 0.760 86.5 67.9 -65.2 -20.8 72.2 28.6 -39.5 652 203 B D H 34 S+ 0 0 59 2,-0.1 -1,-0.3 1,-0.1 -121,-0.1 0.659 112.5 33.3 -72.0 -15.7 75.3 30.8 -40.0 653 204 B F H X4 S+ 0 0 35 -3,-2.5 3,-1.6 -6,-0.2 4,-0.3 0.819 125.2 35.8 -96.2 -65.4 76.4 29.6 -36.6 654 205 B I H 3< S+ 0 0 10 -4,-1.8 3,-0.2 -7,-0.9 -3,-0.2 0.860 130.5 34.3 -65.7 -32.8 75.1 26.1 -36.1 655 206 B L T 3< S+ 0 0 14 -4,-1.4 -1,-0.3 -5,-0.3 -124,-0.2 -0.292 86.3 125.5-107.9 43.3 75.7 25.1 -39.8 656 207 B D < + 0 0 16 -3,-1.6 -125,-2.4 -146,-0.2 2,-0.3 0.966 63.2 13.3 -77.1 -54.3 78.8 27.2 -40.3 657 208 B K E -DE 510 530J 75 -147,-2.4 -147,-2.3 -4,-0.3 2,-0.3 -0.775 49.5-155.6-127.2 167.2 81.5 24.9 -41.6 658 209 B R E -DE 509 529J 4 -129,-2.7 -129,-2.3 -2,-0.3 2,-0.5 -0.909 32.4-102.6-132.2 165.0 82.4 21.6 -43.1 659 210 B V E > - E 0 528J 1 -151,-0.5 3,-2.7 -2,-0.3 2,-0.5 -0.738 31.6-121.7 -91.4 128.5 85.6 19.5 -43.1 660 211 B I T 3 S+ 0 0 60 -133,-3.0 -133,-0.4 -2,-0.5 -1,-0.0 -0.532 107.3 21.7 -66.9 119.1 87.6 19.5 -46.3 661 212 B G T 3 S- 0 0 59 -2,-0.5 -1,-0.3 -135,-0.1 4,-0.1 0.238 131.1 -79.8 100.6 -10.0 87.7 15.8 -47.2 662 213 B G X - 0 0 4 -3,-2.7 3,-1.8 1,-0.1 4,-0.3 0.224 39.9 -88.6 92.6 146.2 84.6 15.1 -45.1 663 214 B M T >> S+ 0 0 0 1,-0.3 3,-1.6 -156,-0.2 4,-0.6 0.762 116.6 72.2 -62.7 -28.9 83.9 14.6 -41.4 664 215 B Q H 3> S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.802 81.7 73.9 -58.2 -27.3 84.5 10.9 -41.7 665 216 B Q H <> S+ 0 0 56 -3,-1.8 4,-3.2 1,-0.2 -1,-0.3 0.816 85.8 65.4 -53.9 -32.3 88.2 11.6 -42.1 666 217 B V H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.953 109.1 36.0 -60.3 -47.7 88.3 12.5 -38.3 667 218 B S H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.4 -1,-0.2 0.889 115.0 55.0 -69.0 -39.7 87.5 8.9 -37.4 668 219 B I H X S+ 0 0 39 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 111.1 45.9 -62.9 -44.0 89.5 7.3 -40.2 669 220 B R H X S+ 0 0 88 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.928 112.9 47.5 -66.1 -45.9 92.6 9.2 -39.1 670 221 B M H X S+ 0 0 2 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.884 114.7 49.7 -55.8 -35.1 92.2 8.5 -35.4 671 222 B A H < S+ 0 0 13 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.840 105.4 54.8 -79.0 -33.5 91.6 4.9 -36.3 672 223 B E H >< S+ 0 0 140 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.922 103.9 55.2 -61.5 -46.7 94.7 4.7 -38.6 673 224 B A H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.2 55.6 -56.5 -29.6 96.9 5.8 -35.7 674 225 B L T >< S+ 0 0 6 -4,-1.0 3,-2.1 1,-0.2 -1,-0.3 0.600 84.1 176.2 -81.7 -14.2 95.5 2.9 -33.7 675 226 B G G X + 0 0 45 -3,-1.6 3,-1.4 -4,-0.5 -1,-0.2 -0.104 65.0 4.4 51.7-132.2 96.5 0.3 -36.3 676 227 B D G 3 S+ 0 0 159 1,-0.3 -1,-0.3 -195,-0.0 -2,-0.1 0.474 113.7 79.7 -71.3 -6.6 95.8 -3.3 -35.2 677 228 B D G < S+ 0 0 24 -3,-2.1 -195,-2.9 -6,-0.1 2,-0.5 0.499 79.9 80.3 -74.7 -3.0 94.0 -2.4 -32.0 678 229 B V E < -w 482 0H 22 -3,-1.4 2,-0.5 -197,-0.2 -195,-0.2 -0.906 66.7-163.5-101.1 129.7 90.8 -1.5 -34.0 679 230 B F E -w 483 0H 43 -197,-2.7 -195,-2.5 -2,-0.5 3,-0.3 -0.977 3.7-163.3-116.4 125.7 88.7 -4.6 -35.0 680 231 B L + 0 0 71 -2,-0.5 -193,-0.2 1,-0.2 -195,-0.1 -0.544 69.1 29.7 -99.8 165.9 86.1 -4.3 -37.7 681 232 B N S S+ 0 0 106 -195,-2.3 -196,-0.2 -2,-0.2 -1,-0.2 0.884 89.5 124.0 54.5 37.9 83.2 -6.7 -38.5 682 233 B A - 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