==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-03 1OS8 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.J.PAGE,S.L.WONG,J.HEWITT,N.C.STRYNADKA,R.T.MACGILLIVRAY . 223 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 5 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 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 16 A V 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 130.5 45.3 5.7 68.3 2 17 A V B +A 166 0A 20 164,-3.0 164,-2.0 1,-0.2 117,-0.1 -0.889 360.0 10.3-103.4 132.6 46.0 3.0 65.7 3 18 A G S S+ 0 0 53 -2,-0.4 -1,-0.2 115,-0.4 2,-0.1 0.764 102.0 122.7 73.6 26.1 48.7 0.5 66.4 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 127,-0.1 127,-0.2 -0.295 51.9-129.0-107.1-168.4 49.1 1.5 70.0 5 20 A T E -B 130 0B 86 125,-2.4 125,-3.0 -2,-0.1 2,-0.2 -0.882 38.9 -76.9-137.4 166.3 48.9 -0.1 73.5 6 21 A R E -B 129 0B 123 -2,-0.3 123,-0.2 123,-0.2 2,-0.2 -0.477 42.7-131.4 -71.3 133.6 47.1 0.7 76.7 7 22 A A - 0 0 2 121,-2.4 2,-0.1 -2,-0.2 121,-0.1 -0.589 27.5-112.8 -79.0 145.3 48.6 3.5 78.8 8 23 A A > - 0 0 58 -2,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.491 38.2 -92.6 -77.9 151.1 49.1 2.6 82.4 9 24 A Q T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 45,-0.1 -0.463 116.1 15.4 -61.4 128.2 47.0 4.4 85.0 10 25 A G T 3 S+ 0 0 47 -2,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.302 94.9 111.4 89.2 -9.3 49.0 7.4 86.1 11 26 A E S < S+ 0 0 66 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.943 93.6 14.1 -63.1 -51.3 51.5 7.2 83.2 12 27 A F S > S+ 0 0 11 -4,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.658 75.0 168.6-126.1 73.5 50.4 10.4 81.4 13 28 A P T 3 + 0 0 28 0, 0.0 40,-0.5 0, 0.0 -1,-0.1 0.597 67.8 70.8 -65.9 -9.5 48.3 12.1 84.1 14 29 A F T 3 S+ 0 0 7 82,-0.1 12,-1.7 -3,-0.1 83,-0.2 0.580 76.6 108.2 -82.3 -9.2 48.2 15.4 82.2 15 30 A M E < -J 25 0C 7 -3,-1.9 38,-0.5 10,-0.2 2,-0.3 -0.426 46.4-177.0 -71.7 141.5 45.8 13.8 79.7 16 31 A V E -J 24 0C 0 8,-1.9 8,-1.1 36,-0.1 2,-0.4 -0.982 21.2-135.1-136.2 147.0 42.2 14.9 79.6 17 32 A R E -JK 23 51C 27 34,-2.3 34,-2.8 -2,-0.3 2,-0.4 -0.865 21.3-146.9 -99.0 135.8 39.3 13.6 77.5 18 33 A L E >> -JK 22 50C 1 4,-3.0 3,-2.0 -2,-0.4 4,-1.3 -0.869 17.1-122.8-107.8 141.8 37.0 16.3 76.0 19 34 A S T 34 S+ 0 0 71 30,-2.1 31,-0.1 -2,-0.4 -1,-0.1 0.658 105.4 61.1 -54.1 -24.3 33.3 15.8 75.4 20 35 A M T 34 S- 0 0 75 29,-0.2 -1,-0.3 18,-0.1 150,-0.0 0.359 128.3 -87.2 -88.3 9.9 33.3 16.6 71.7 21 41 A G T <4 S+ 0 0 21 -3,-2.0 151,-0.3 1,-0.3 2,-0.3 0.912 89.9 116.4 87.3 50.1 35.6 13.7 71.0 22 42 A a E < -J 18 0C 6 -4,-1.3 -4,-3.0 149,-0.1 -1,-0.3 -0.886 54.7-129.9-139.8 169.5 39.0 15.2 71.5 23 43 A G E +J 17 0C 0 149,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.611 26.5 179.0-110.8 175.5 42.0 14.8 73.8 24 44 A G E -J 16 0C 0 -8,-1.1 -8,-1.9 -2,-0.2 2,-0.4 -0.969 21.2-124.8-167.6 168.6 43.8 17.6 75.6 25 45 A A E -JL 15 33C 0 8,-2.2 8,-2.8 -2,-0.3 2,-1.2 -0.957 28.9-111.3-126.3 147.3 46.6 18.3 78.0 26 46 A L E + L 0 32C 1 -12,-1.7 71,-2.3 -2,-0.4 6,-0.2 -0.649 36.2 171.7 -77.3 99.5 46.6 20.1 81.3 27 47 A Y E S- 0 0 60 4,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.859 83.6 -2.1 -72.7 -36.7 48.6 23.3 80.5 28 48 A A E > S- L 0 31C 27 3,-1.8 3,-1.6 -3,-0.2 -1,-0.3 -0.900 92.4 -96.5-141.7 163.4 47.6 24.4 84.0 29 49 A Q T 3 S+ 0 0 68 -2,-0.3 63,-2.5 1,-0.3 61,-0.1 0.813 128.1 29.3 -57.3 -28.4 45.3 22.5 86.4 30 50 A D T 3 S+ 0 0 45 61,-0.2 58,-2.6 1,-0.1 2,-0.4 0.088 110.9 75.2-117.7 21.9 42.4 24.6 85.1 31 51 A I E < -LM 28 87C 10 -3,-1.6 -4,-2.0 56,-0.2 -3,-1.8 -0.938 62.4-159.0-136.9 114.8 43.5 25.3 81.5 32 52 A V E -LM 26 86C 0 54,-3.1 54,-2.1 -2,-0.4 2,-0.6 -0.780 6.8-149.9 -94.7 130.2 43.3 22.6 78.8 33 53 A L E +LM 25 85C 0 -8,-2.8 -8,-2.2 -2,-0.4 52,-0.2 -0.891 38.8 140.9 -96.6 125.6 45.5 23.0 75.7 34 54 A T E - M 0 84C 0 50,-2.9 50,-2.1 -2,-0.6 2,-0.3 -0.707 51.4 -60.5-145.2-166.5 43.8 21.3 72.8 35 55 A A > - 0 0 0 -12,-0.4 3,-1.3 48,-0.3 4,-0.3 -0.624 31.5-132.1 -89.7 148.8 43.2 21.9 69.1 36 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.882 107.2 60.8 -62.5 -35.2 41.4 24.9 67.6 37 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.2 47,-0.0 135,-0.0 0.561 91.8 67.7 -73.3 -2.9 39.3 22.5 65.4 38 58 A a G < S+ 0 0 12 -3,-1.3 2,-0.3 -15,-0.0 -1,-0.3 0.609 102.6 50.3 -85.7 -14.2 37.8 20.8 68.5 39 59 A V S < S- 0 0 15 -3,-1.6 3,-0.1 -4,-0.3 31,-0.0 -0.829 75.4-134.6-122.5 162.0 36.0 24.0 69.4 40 60 A S S S- 0 0 121 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.755 72.0 -58.7 -88.5 -23.3 33.7 26.3 67.5 41 60AA G - 0 0 21 2,-0.1 -1,-0.3 -5,-0.0 2,-0.1 -0.973 66.7 -51.2 166.4-176.3 35.2 29.6 68.6 42 60BA S S S+ 0 0 78 -2,-0.3 2,-0.2 30,-0.1 29,-0.2 -0.460 73.5 75.0 -85.9 155.5 36.1 31.8 71.5 43 60CA G E S-N 70 0C 34 27,-2.5 27,-2.5 -2,-0.1 2,-0.1 -0.739 83.5 -32.9 136.5 175.4 33.9 33.0 74.3 44 60DA N E +N 69 0C 139 25,-0.2 25,-0.3 -2,-0.2 2,-0.3 -0.449 62.0 167.2 -65.7 139.8 32.1 32.0 77.5 45 61 A N + 0 0 34 23,-2.0 3,-0.2 -2,-0.1 -2,-0.1 -0.858 25.9 170.7-162.1 117.5 31.2 28.3 77.3 46 62 A T + 0 0 95 -2,-0.3 22,-0.1 1,-0.1 -1,-0.1 0.103 66.1 88.0-113.7 18.9 30.0 25.9 80.1 47 63 A S + 0 0 77 19,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.543 65.4 88.3 -97.3 -7.1 29.0 23.1 77.7 48 64 A I - 0 0 9 -3,-0.2 19,-2.3 -29,-0.0 2,-0.4 -0.761 59.1-156.5 -97.2 135.6 32.3 21.3 77.4 49 65 A T E - O 0 66C 30 -2,-0.4 -30,-2.1 17,-0.2 2,-0.5 -0.929 1.4-161.2-111.9 134.3 33.3 18.5 79.9 50 66 A A E -KO 18 65C 1 15,-2.8 15,-2.7 -2,-0.4 2,-0.6 -0.958 6.9-156.4-111.6 130.4 36.9 17.5 80.5 51 67 A T E +KO 17 64C 19 -34,-2.8 -34,-2.3 -2,-0.5 13,-0.2 -0.934 24.3 165.0-111.1 118.2 37.5 14.1 82.1 52 68 A G E + O 0 63C 1 11,-3.0 11,-2.2 -2,-0.6 -36,-0.1 -0.670 39.2 49.7-125.4 179.2 40.7 13.7 84.0 53 69 A G S S+ 0 0 14 -40,-0.5 2,-0.3 -38,-0.5 -1,-0.1 0.180 95.9 72.5 80.9 -12.8 42.6 11.6 86.5 54 70 A V - 0 0 14 -39,-0.2 -1,-0.1 9,-0.1 9,-0.1 -0.972 56.2-156.3-141.3 149.2 41.9 8.2 84.8 55 71 A V S S+ 0 0 10 -2,-0.3 73,-1.7 1,-0.1 2,-0.8 0.786 92.6 68.1 -84.4 -31.3 42.8 6.1 81.7 56 72 A D B > S-Q 127 0D 30 71,-0.2 3,-2.2 1,-0.1 71,-0.2 -0.802 71.9-159.2 -92.5 107.9 39.5 4.2 82.1 57 73 A L T 3 S+ 0 0 40 69,-2.6 -1,-0.1 -2,-0.8 70,-0.1 0.671 91.1 57.1 -60.7 -17.7 36.7 6.7 81.2 58 75 A Q T 3 S+ 0 0 134 68,-0.2 -1,-0.3 -3,-0.0 69,-0.1 0.493 80.2 123.4 -90.4 -5.2 34.2 4.5 83.1 59 76 A S X - 0 0 36 -3,-2.2 3,-1.7 1,-0.2 -5,-0.1 -0.269 64.6-138.6 -61.2 139.6 36.2 4.7 86.3 60 77 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.626 104.2 66.8 -71.1 -11.1 34.4 6.0 89.4 61 79 A S T 3 S+ 0 0 83 -5,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.475 75.1 119.7 -87.2 -3.2 37.6 7.8 90.0 62 80 A A < - 0 0 21 -3,-1.7 2,-0.6 -6,-0.1 -9,-0.2 -0.292 56.8-144.5 -62.4 147.5 37.2 10.0 87.0 63 81 A V E -O 52 0C 65 -11,-2.2 -11,-3.0 -9,-0.1 2,-0.6 -0.976 13.9-166.7-117.1 115.6 37.0 13.7 87.6 64 82 A K E +O 51 0C 146 -2,-0.6 2,-0.4 -13,-0.2 -13,-0.2 -0.923 9.8 179.5-107.7 119.5 34.6 15.5 85.2 65 83 A V E -O 50 0C 3 -15,-2.7 -15,-2.8 -2,-0.6 2,-0.2 -0.972 20.7-131.8-125.0 135.4 34.8 19.2 85.1 66 84 A R E -O 49 0C 127 -2,-0.4 23,-2.8 -17,-0.2 24,-0.3 -0.476 24.5-114.4 -84.4 153.8 32.8 21.7 83.0 67 85 A S E - P 0 88C 1 -19,-2.3 21,-0.3 21,-0.2 -1,-0.1 -0.308 19.7-171.0 -77.5 166.3 34.4 24.5 81.0 68 86 A T E S+ 0 0 43 19,-2.4 -23,-2.0 1,-0.4 2,-0.3 0.500 70.2 1.1-126.1 -32.2 33.8 28.2 81.7 69 87 A K E -NP 44 87C 76 18,-1.1 18,-2.8 -25,-0.3 -1,-0.4 -0.997 55.2-145.0-159.6 156.1 35.5 29.7 78.6 70 88 A V E -NP 43 86C 6 -27,-2.5 -27,-2.5 -2,-0.3 2,-0.5 -0.967 3.9-167.5-125.6 138.5 37.2 28.9 75.3 71 89 A L E - P 0 85C 30 14,-3.0 14,-2.6 -2,-0.4 2,-0.3 -0.934 12.7-167.3-126.3 104.8 40.0 30.8 73.6 72 90 A Q E - P 0 84C 28 -2,-0.5 12,-0.2 12,-0.2 -30,-0.1 -0.705 43.2 -83.4 -90.2 143.2 40.6 29.6 70.0 73 91 A A > - 0 0 1 10,-2.4 3,-2.1 -2,-0.3 -1,-0.1 -0.187 57.4-103.9 -46.0 123.6 43.7 30.7 68.2 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.273 104.0 15.1 -54.7 132.0 43.0 34.2 66.8 75 93 A G T 3 S+ 0 0 66 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.463 84.3 164.5 83.9 1.9 42.3 34.0 63.1 76 94 A Y < + 0 0 58 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.257 9.2 152.4 -55.6 134.2 41.9 30.3 63.0 77 95 A N S S- 0 0 126 3,-0.3 -1,-0.1 0, 0.0 4,-0.1 0.118 73.4 -81.1-151.6 23.4 40.3 29.2 59.7 78 96 A G S S+ 0 0 50 2,-0.4 3,-0.1 3,-0.1 2,-0.1 0.602 106.1 98.5 86.1 11.1 41.5 25.6 59.2 79 98 A T S S- 0 0 88 1,-0.3 2,-0.2 2,-0.0 -1,-0.0 -0.490 98.6 -54.2-128.2 63.1 44.9 26.5 57.7 80 100 A G S S+ 0 0 3 -2,-0.1 -2,-0.4 1,-0.1 -3,-0.3 -0.586 99.6 94.0 100.4-167.6 47.3 26.2 60.6 81 101 A K + 0 0 81 1,-0.2 2,-2.1 -2,-0.2 -8,-0.2 0.841 52.6 171.5 47.5 39.2 47.2 27.8 64.0 82 102 A D + 0 0 6 71,-0.3 2,-0.3 -46,-0.1 125,-0.2 -0.409 29.9 107.6 -84.0 70.6 45.4 24.7 65.2 83 103 A W + 0 0 8 -2,-2.1 -10,-2.4 -48,-0.3 2,-0.3 -0.976 36.0 172.4-140.8 154.4 45.4 25.4 69.0 84 104 A A E -MP 34 72C 0 -50,-2.1 -50,-2.9 -2,-0.3 2,-0.4 -0.984 20.0-139.8-157.9 155.4 42.9 26.4 71.6 85 105 A L E -MP 33 71C 0 -14,-2.6 -14,-3.0 -2,-0.3 2,-0.5 -0.951 10.2-161.3-121.0 140.2 42.7 26.8 75.4 86 106 A I E -MP 32 70C 0 -54,-2.1 -54,-3.1 -2,-0.4 2,-0.4 -0.988 11.0-146.1-125.2 120.4 39.7 25.8 77.5 87 107 A K E -MP 31 69C 33 -18,-2.8 -19,-2.4 -2,-0.5 -18,-1.1 -0.704 17.7-144.3 -83.8 134.9 39.3 27.3 81.0 88 108 A L E - 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0 0 0 87,-2.6 113,-0.2 -2,-0.3 -1,-0.0 -0.527 29.0-178.2 -72.3 132.7 58.2 23.5 74.0 101 125 A T + 0 0 106 -2,-0.3 2,-0.3 112,-0.1 -1,-0.1 0.468 69.8 42.7-108.6 -7.2 59.3 27.1 73.4 102 128 A T S S- 0 0 72 111,-0.0 3,-0.4 0, 0.0 108,-0.1 -0.768 83.5-117.9-127.9 174.7 62.2 26.2 71.1 103 129 A T S > S+ 0 0 90 -2,-0.3 3,-1.9 1,-0.2 108,-0.0 0.321 82.5 107.3 -97.9 8.1 62.5 23.8 68.2 104 130 A A T 3 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.1 -4,-0.0 0.745 84.3 42.5 -58.3 -25.0 65.3 21.8 69.9 105 131 A Y T 3 S+ 0 0 36 -3,-0.4 2,-1.9 1,-0.1 -1,-0.3 0.291 78.0 108.5-106.8 10.7 62.9 18.9 70.5 106 132 A N S < S+ 0 0 18 -3,-1.9 2,-0.3 102,-0.0 -1,-0.1 -0.333 76.7 59.1 -82.9 56.8 61.2 18.9 67.1 107 133 A Q S S+ 0 0 112 -2,-1.9 2,-0.1 2,-0.1 29,-0.0 -0.964 74.3 45.5-168.7 170.5 63.0 15.6 66.3 108 134 A G S S- 0 0 37 -2,-0.3 27,-2.6 27,-0.1 2,-0.5 -0.424 98.7 -26.6 83.2-158.7 63.5 12.1 67.4 109 135 A T E -D 134 0B 84 25,-0.2 2,-0.2 -2,-0.1 -2,-0.1 -0.845 62.9-161.3-101.0 126.8 60.7 9.7 68.5 110 136 A F E -D 133 0B 0 23,-2.8 23,-2.0 -2,-0.5 2,-0.4 -0.500 10.2-135.2 -98.3 169.6 57.5 11.2 70.0 111 137 A T E -DE 132 177B 11 66,-2.6 66,-2.7 21,-0.2 2,-0.3 -0.972 20.1-174.8-125.6 137.7 54.7 9.7 72.1 112 138 A V E -DE 131 176B 0 19,-2.6 19,-2.0 -2,-0.4 2,-0.3 -0.878 1.3-175.6-127.9 162.5 51.0 10.3 71.5 113 139 A A E +D 130 0B 0 62,-0.5 2,-0.3 -2,-0.3 17,-0.2 -0.980 14.8 129.8-159.2 146.8 47.9 9.3 73.4 114 140 A G E -D 129 0B 0 15,-2.2 15,-2.5 -2,-0.3 57,-0.2 -0.982 55.9-110.6 178.7 175.0 44.2 9.4 73.2 115 141 A W S S+ 0 0 1 55,-0.5 10,-3.2 -2,-0.3 56,-0.1 0.029 74.8 122.1-110.2 19.3 40.8 7.7 73.3 116 142 A G S S- 0 0 0 8,-0.2 54,-0.3 1,-0.2 53,-0.2 -0.107 72.6 -57.0 -76.3 178.5 40.2 8.0 69.6 117 143 A A - 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