==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-04 1XXN . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.T.MURAKAMI,R.RULLER,R.J.WARD,R.K.ARNI . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 47.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 26 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 3 1 3 1 1 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 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 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 1 A A 0 0 103 0, 0.0 51,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 129.1 30.4 20.1 12.4 2 2 A S - 0 0 101 183,-0.2 183,-0.1 1,-0.1 2,-0.1 -0.347 360.0-130.2 -90.3 142.6 29.3 22.7 15.1 3 3 A T - 0 0 19 181,-0.4 39,-0.2 -2,-0.1 -1,-0.1 -0.349 16.3-175.5 -71.4 153.6 26.4 25.1 15.2 4 4 A D + 0 0 94 37,-2.2 2,-0.4 -2,-0.1 38,-0.2 0.079 57.7 80.7-139.0 14.7 27.3 28.7 16.1 5 5 A Y E -A 41 0A 69 36,-1.8 36,-2.0 162,-0.1 2,-0.6 -0.995 52.5-163.5-138.5 136.4 23.8 30.1 16.3 6 6 A W E -A 40 0A 63 -2,-0.4 2,-0.6 34,-0.2 34,-0.2 -0.975 9.6-165.5-119.1 112.5 20.9 30.2 18.8 7 7 A Q E +A 39 0A 14 32,-3.4 32,-2.8 -2,-0.6 2,-0.3 -0.896 19.9 159.3 -97.5 118.2 17.6 31.1 17.4 8 8 A N E +A 38 0A 75 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.785 10.6 152.3-145.2 94.5 15.1 31.9 20.2 9 9 A W E +A 37 0A 103 28,-2.5 28,-2.3 -2,-0.3 2,-0.3 -0.986 12.7 171.3-131.0 135.7 12.2 33.9 19.2 10 10 A T E -A 36 0A 54 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.985 35.6-138.1-134.3 147.6 8.7 34.2 20.6 11 11 A D - 0 0 85 24,-2.7 25,-0.1 -2,-0.3 3,-0.1 0.480 59.3-104.6 -79.0 -1.2 5.9 36.6 19.8 12 12 A G S S+ 0 0 55 1,-0.3 2,-0.2 23,-0.3 24,-0.1 0.271 75.3 141.1 101.5 -11.3 5.3 36.7 23.6 13 13 A G - 0 0 23 22,-0.3 21,-1.1 2,-0.1 -1,-0.3 -0.495 68.5 -37.9 -70.8 130.7 2.2 34.5 23.5 14 14 A G S S- 0 0 42 19,-0.3 2,-0.5 -2,-0.2 18,-0.2 -0.172 105.1 -31.0 56.7-139.9 2.0 32.1 26.4 15 15 A I E +H 31 0B 89 16,-2.7 16,-2.6 19,-0.1 2,-0.5 -0.964 50.0 175.6-123.7 122.0 5.1 30.4 27.7 16 16 A V E -H 30 0B 23 -2,-0.5 2,-0.8 14,-0.2 14,-0.2 -0.943 8.4-175.0-125.6 104.6 8.1 29.5 25.5 17 17 A N E -H 29 0B 94 12,-3.2 12,-2.7 -2,-0.5 2,-0.4 -0.880 7.5-179.5-107.8 100.4 10.8 28.0 27.6 18 18 A A E -H 28 0B 24 -2,-0.8 2,-0.5 10,-0.2 10,-0.2 -0.861 12.8-157.5-103.9 132.7 13.9 27.5 25.4 19 19 A V E -H 27 0B 84 8,-2.9 8,-1.5 -2,-0.4 2,-1.3 -0.959 12.7-144.9-113.0 122.9 17.1 26.0 26.8 20 20 A N E -H 26 0B 88 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.767 38.7-172.8 -82.1 93.8 20.3 26.7 24.9 21 21 A G - 0 0 19 -2,-1.3 2,-0.3 4,-1.0 5,-0.1 0.102 33.0 -43.9 -83.1-164.9 21.8 23.3 25.7 22 22 A S S > S- 0 0 108 2,-0.1 3,-2.7 4,-0.0 -1,-0.2 -0.465 100.3 -45.7 -69.2 125.2 25.2 21.7 25.1 23 23 A G T 3 S- 0 0 54 1,-0.3 162,-0.1 -2,-0.3 -2,-0.0 -0.311 132.4 -3.5 62.9-121.5 26.6 22.4 21.7 24 24 A G T 3 S+ 0 0 11 -2,-0.1 160,-1.8 160,-0.1 -1,-0.3 0.359 111.4 109.4 -87.0 4.1 24.0 21.8 19.1 25 25 A N E < + I 0 183B 32 -3,-2.7 -4,-1.0 158,-0.3 2,-0.3 -0.591 36.0 155.0 -83.9 144.5 21.4 20.6 21.7 26 26 A Y E -HI 20 182B 0 156,-2.1 156,-2.7 -2,-0.3 2,-0.3 -0.972 19.2-161.1-153.6 164.4 18.4 22.6 22.7 27 27 A S E -HI 19 181B 27 -8,-1.5 -8,-2.9 -2,-0.3 2,-0.4 -0.957 3.3-157.4-144.3 159.2 15.1 21.9 24.2 28 28 A V E -HI 18 180B 0 152,-2.6 152,-2.2 -2,-0.3 2,-0.5 -0.992 7.7-171.5-141.8 133.4 11.8 23.8 24.4 29 29 A N E +HI 17 179B 92 -12,-2.7 -12,-3.2 -2,-0.4 2,-0.3 -0.999 23.8 173.5-119.1 122.5 8.9 23.5 26.7 30 30 A W E -HI 16 178B 8 148,-2.8 148,-2.3 -2,-0.5 2,-0.3 -0.927 14.1-173.7-133.5 160.8 6.0 25.6 25.6 31 31 A S E -H 15 0B 54 -16,-2.6 -16,-2.7 -2,-0.3 146,-0.3 -0.971 66.8 -12.7-156.6 130.4 2.4 26.2 26.6 32 32 A N S S+ 0 0 124 -2,-0.3 145,-0.2 -18,-0.2 143,-0.1 0.853 90.4 174.4 52.5 43.7 -0.5 28.1 25.2 33 33 A T - 0 0 2 143,-2.8 -19,-0.3 -19,-0.2 -1,-0.1 -0.155 38.1-147.4 -83.3 169.9 1.8 29.9 22.9 34 34 A G S S- 0 0 7 -21,-1.1 141,-1.8 1,-0.2 142,-0.4 0.343 70.0 -41.7 -89.5-120.0 1.4 32.3 20.1 35 35 A N E + B 0 174A 20 139,-0.2 -24,-2.7 140,-0.1 -22,-0.3 -0.882 68.7 161.4-110.5 142.6 4.0 31.8 17.4 36 36 A F E -AB 10 173A 0 137,-1.5 137,-2.1 -2,-0.4 2,-0.4 -0.975 23.1-156.7-153.1 154.6 7.6 31.1 18.3 37 37 A V E +AB 9 172A 2 -28,-2.3 -28,-2.5 -2,-0.3 2,-0.4 -0.990 17.4 173.0-135.8 123.0 10.7 29.7 16.5 38 38 A V E +AB 8 171A 0 133,-2.9 133,-3.0 -2,-0.4 2,-0.3 -0.995 16.9 124.6-129.4 137.9 13.5 28.1 18.5 39 39 A G E -AB 7 170A 0 -32,-2.8 -32,-3.4 -2,-0.4 2,-0.3 -0.987 45.4-113.2-174.2 172.3 16.5 26.3 17.1 40 40 A K E +AB 6 169A 7 129,-1.2 129,-3.0 -2,-0.3 2,-0.3 -0.883 54.3 97.3-114.5 149.1 20.2 25.7 16.7 41 41 A G E -AB 5 168A 0 -36,-2.0 -37,-2.2 -2,-0.3 -36,-1.8 -0.847 66.3 -31.8 175.4-131.7 22.2 26.1 13.6 42 42 A W E - B 0 167A 11 125,-2.9 125,-2.2 -2,-0.3 3,-0.1 -0.937 32.7-134.7-131.2 139.7 24.4 28.5 11.9 43 43 A T S S+ 0 0 63 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.802 102.4 40.7 -62.2 -29.7 24.5 32.3 11.7 44 44 A T S S- 0 0 83 123,-0.1 122,-0.2 122,-0.1 -1,-0.2 -0.957 84.9-142.3-125.6 116.0 25.0 32.1 7.9 45 45 A G - 0 0 7 120,-3.1 119,-0.1 -2,-0.5 121,-0.1 -0.248 12.1-156.7 -69.4 157.3 23.0 29.5 6.0 46 46 A S > - 0 0 30 1,-0.1 3,-0.9 -4,-0.0 100,-0.1 -0.999 22.3-142.1-133.2 142.9 24.5 27.7 3.1 47 47 A P T 3 S+ 0 0 25 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.569 106.9 52.3 -72.6 -5.5 22.7 26.0 0.2 48 48 A F T 3 S+ 0 0 161 98,-0.1 99,-0.1 99,-0.1 2,-0.0 0.460 80.1 119.4-107.7 -4.8 25.4 23.3 0.5 49 49 A R < - 0 0 52 -3,-0.9 97,-0.9 97,-0.1 2,-0.6 -0.358 52.2-149.7 -70.3 142.6 25.1 22.5 4.1 50 50 A T E -J 145 0B 66 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.974 20.2-152.2-108.1 112.2 24.1 19.0 5.2 51 51 A I E -J 144 0B 0 93,-2.7 93,-2.9 -2,-0.6 2,-0.4 -0.745 9.5-165.1 -94.1 135.2 22.3 19.4 8.4 52 52 A N E +J 143 0B 47 133,-2.8 133,-2.8 -2,-0.4 2,-0.3 -0.940 16.1 163.1-117.0 137.6 22.3 16.6 10.9 53 53 A Y E -JK 142 184B 2 89,-2.7 89,-3.0 -2,-0.4 2,-0.4 -0.990 28.5-157.5-151.0 163.4 20.0 16.4 13.8 54 54 A N E - K 0 183B 33 129,-2.4 129,-3.1 -2,-0.3 2,-1.1 -0.931 10.8-158.1-140.9 113.3 18.6 14.1 16.4 55 55 A A E + K 0 182B 0 85,-0.5 127,-0.3 -2,-0.4 3,-0.2 -0.796 13.5 177.4 -93.7 93.8 15.3 15.0 17.9 56 56 A G E S+ 0 0 50 -2,-1.1 2,-0.4 125,-1.0 -1,-0.2 0.783 77.8 29.9 -69.3 -29.3 15.4 13.1 21.1 57 57 A V E + K 0 181B 59 124,-2.4 124,-2.6 -3,-0.1 2,-0.4 -0.975 59.9 164.1-130.7 118.1 12.0 14.6 22.0 58 58 A W E + K 0 180B 33 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.831 23.2 143.9-127.0 94.9 9.5 15.6 19.4 59 59 A A E + K 0 179B 40 120,-2.8 120,-2.0 -2,-0.4 2,-0.2 -0.480 17.4 172.8-133.8 61.7 6.3 16.1 21.4 60 60 A P E - K 0 178B 25 0, 0.0 2,-0.7 0, 0.0 118,-0.3 -0.534 22.3-152.6 -67.3 140.1 4.2 18.9 20.1 61 61 A N E S- K 0 177B 109 116,-3.9 116,-1.6 -2,-0.2 2,-0.4 -0.818 76.6 -21.9-107.6 80.2 0.8 19.1 21.9 62 62 A G S S+ 0 0 19 -2,-0.7 25,-1.5 114,-0.2 2,-0.8 -0.913 125.4 9.7 115.1-144.8 -1.0 20.7 19.0 63 63 A N S S+ 0 0 29 111,-0.5 111,-2.4 -2,-0.4 2,-0.3 -0.595 74.7 130.2 -86.5 107.8 0.5 22.7 16.2 64 64 A G E -C 173 0A 0 -2,-0.8 22,-1.5 109,-0.2 2,-0.4 -0.987 39.1-140.7-146.2 158.8 4.3 22.6 16.0 65 65 A Y E -CD 172 85A 12 107,-3.2 107,-2.4 -2,-0.3 2,-0.7 -0.967 6.4-154.8-120.9 138.5 6.9 22.0 13.3 66 66 A L E +CD 171 84A 0 18,-3.3 17,-2.6 -2,-0.4 18,-1.8 -0.958 49.9 148.1-101.3 106.2 10.2 20.2 13.4 67 67 A T E -CD 170 82A 0 103,-2.6 103,-3.5 -2,-0.7 15,-0.3 -0.993 61.0-114.1-150.5 141.4 11.8 22.0 10.5 68 68 A L E -CD 169 81A 0 13,-3.0 13,-1.8 -2,-0.3 2,-0.4 -0.616 50.8-172.8 -67.2 144.7 15.0 23.3 9.0 69 69 A Y E +CD 168 80A 10 99,-3.0 99,-3.3 -2,-0.3 2,-0.3 -0.996 15.5 128.9-148.5 133.2 14.3 27.0 9.2 70 70 A G E -CD 167 79A 0 9,-1.9 9,-3.1 -2,-0.4 2,-0.3 -0.989 34.3-120.4-168.7-176.2 16.1 30.0 7.8 71 71 A W E - D 0 78A 4 95,-1.5 94,-2.2 -2,-0.3 2,-0.3 -0.944 9.8-170.3-134.9 153.2 16.1 33.2 5.9 72 72 A T E > -CD 164 77A 0 5,-1.9 5,-2.0 -2,-0.3 2,-0.3 -0.911 14.1-146.0-127.1 164.9 17.8 34.8 3.0 73 73 A R E 5 +C 163 0A 65 90,-2.5 90,-2.1 -2,-0.3 89,-0.3 -0.882 69.6 65.0-118.8 156.8 17.7 38.4 1.8 74 74 A S T 5S+ 0 0 83 -2,-0.3 88,-1.5 87,-0.2 -1,-0.2 0.925 128.9 22.4 59.6 59.9 17.7 39.5 -1.9 75 75 A P T 5S- 0 0 67 0, 0.0 2,-0.7 0, 0.0 86,-0.4 0.436 107.8-130.5 -86.7 169.8 15.2 38.2 -2.0 76 76 A L T 5 + 0 0 43 -3,-0.3 50,-1.1 -2,-0.1 2,-0.4 -0.713 41.2 165.8 -77.7 111.4 13.8 38.1 1.5 77 77 A I E < -De 72 126A 0 -5,-2.0 -5,-1.9 -2,-0.7 2,-0.6 -0.996 31.0-157.9-134.4 133.3 12.7 34.5 2.0 78 78 A E E -De 71 127A 12 48,-2.0 50,-1.8 -2,-0.4 2,-0.3 -0.950 30.7-168.8-103.7 128.8 11.7 32.5 5.0 79 79 A Y E -De 70 128A 0 -9,-3.1 -9,-1.9 -2,-0.6 2,-0.4 -0.875 13.8-165.4-130.7 158.2 12.2 28.9 4.2 80 80 A Y E -De 69 129A 0 48,-2.5 50,-1.9 -2,-0.3 2,-0.4 -0.989 22.0-170.4-137.8 141.4 11.4 25.5 5.7 81 81 A V E -De 68 130A 0 -13,-1.8 -13,-3.0 -2,-0.4 2,-0.7 -0.892 30.4-161.3-123.9 100.1 12.3 21.9 5.4 82 82 A V E +De 67 131A 0 48,-3.5 50,-2.9 -2,-0.4 -15,-0.3 -0.740 22.1 169.3 -90.7 116.4 9.6 20.4 7.6 83 83 A D E - 0 0 0 -17,-2.6 53,-3.4 -2,-0.7 2,-0.3 0.760 68.2 -1.3 -95.0 -33.9 10.4 16.9 8.7 84 84 A S E +D 66 0A 4 -18,-1.8 -18,-3.3 51,-0.2 -1,-0.3 -0.957 60.8 176.7-148.9 171.6 7.7 16.5 11.3 85 85 A W E -D 65 0A 20 -2,-0.3 -20,-0.2 -20,-0.3 4,-0.1 -0.867 25.9-114.8-160.3-174.9 4.9 18.5 12.9 86 86 A G S S- 0 0 9 -22,-1.5 -23,-0.2 2,-0.5 -1,-0.2 0.520 80.0 -25.1-102.9-111.8 2.1 18.1 15.4 87 87 A T S S+ 0 0 111 -25,-1.5 2,-0.4 1,-0.1 -24,-0.2 0.543 125.2 56.2 -85.2 -9.2 -1.6 18.2 14.7 88 88 A Y - 0 0 107 -26,-0.3 -2,-0.5 -24,-0.3 -24,-0.2 -0.978 65.6-151.4-136.1 123.8 -1.2 20.4 11.6 89 89 A R - 0 0 52 -2,-0.4 2,-0.1 -4,-0.1 -24,-0.1 -0.831 27.3-131.4 -93.6 119.9 0.7 19.8 8.4 90 90 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.375 36.3 162.0 -74.9 144.4 1.7 23.1 6.9 91 91 A T + 0 0 62 -2,-0.1 2,-0.2 3,-0.0 17,-0.1 -0.919 12.6 163.7-146.2 173.3 1.1 23.6 3.2 92 92 A G - 0 0 30 -2,-0.3 2,-0.6 15,-0.1 18,-0.2 -0.717 61.6 -10.7-159.5-140.1 0.8 26.3 0.5 93 93 A T E S-F 109 0A 84 16,-3.0 16,-1.3 -2,-0.2 2,-0.2 -0.610 75.2-126.0 -77.7 115.9 0.8 26.5 -3.3 94 94 A Y E +F 108 0A 131 -2,-0.6 14,-0.2 14,-0.2 3,-0.1 -0.421 36.8 168.7 -71.0 133.6 2.0 23.1 -4.4 95 95 A K E - 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G 0 127A 27 17,-1.8 17,-2.9 -2,-0.4 2,-0.4 -0.892 21.2-139.5-133.6 171.6 3.3 30.9 0.6 111 111 A T E - G 0 126A 59 -2,-0.3 2,-0.4 15,-0.3 15,-0.2 -0.983 8.8-148.5-128.6 144.7 3.5 34.6 1.0 112 112 A R E - G 0 125A 79 13,-3.1 13,-2.0 -2,-0.4 2,-0.3 -0.923 13.5-166.7-109.6 141.6 3.3 36.5 4.3 113 113 A Y E S+ 0 0 142 -2,-0.4 11,-0.2 11,-0.2 10,-0.1 -0.930 70.1 8.1-125.3 151.1 1.8 39.9 4.4 114 114 A N E S+ 0 0 130 -2,-0.3 -1,-0.2 1,-0.2 10,-0.2 0.884 100.2 141.5 46.6 44.7 1.9 42.5 7.2 115 115 A A E - G 0 123A 0 8,-2.6 8,-3.2 -3,-0.2 -1,-0.2 -0.941 59.6-111.2-127.5 135.1 4.3 40.1 8.7 116 116 A P E - G 0 122A 51 0, 0.0 6,-0.3 0, 0.0 2,-0.1 -0.432 35.9-155.7 -65.9 133.4 7.4 40.7 10.8 117 117 A S > - 0 0 11 4,-2.1 3,-1.7 -2,-0.1 8,-0.0 -0.391 37.5 -88.1 -95.0-177.8 10.5 39.6 8.9 118 118 A I T 3 S+ 0 0 42 1,-0.3 -1,-0.0 -2,-0.1 -47,-0.0 0.861 129.6 56.0 -51.7 -37.8 14.0 38.6 10.3 119 119 A D T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.392 117.9-111.0 -90.2 5.9 14.8 42.2 10.1 120 120 A G S < S+ 0 0 56 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.073 74.5 130.8 92.6 -22.4 11.9 43.4 12.3 121 121 A D - 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