==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-JAN-07 2OML . COMPND 2 MOLECULE: RIBOSOMAL LARGE SUBUNIT PSEUDOURIDINE SYNTHASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.PAN,J.D.HO,R.M.STROUD,J.FINER-MOORE . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 24.9 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 . 0 0.0 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-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 . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 0 3 1 0 1 1 1 1 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 . 1 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 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 36 A N 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.7 16.7 -53.9 36.3 2 37 A Q - 0 0 63 53,-0.1 3,-0.1 3,-0.0 53,-0.0 -0.814 360.0-130.4 -97.7 113.1 18.9 -50.9 37.4 3 38 A P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 52,-0.1 -0.316 34.4-106.6 -56.9 135.3 17.4 -48.5 39.9 4 39 A T - 0 0 89 50,-0.1 2,-0.4 51,-0.0 50,-0.0 -0.392 35.3-172.6 -70.8 136.7 17.8 -44.9 38.7 5 40 A R + 0 0 92 -2,-0.1 50,-1.3 31,-0.1 51,-0.4 -1.000 5.0 177.4-127.9 130.8 20.4 -42.7 40.4 6 41 A V E +A 54 0A 12 174,-0.5 174,-3.0 -2,-0.4 2,-0.4 -0.994 4.1 178.8-135.4 126.0 20.6 -38.9 39.6 7 42 A I E -AB 53 179A 0 46,-2.7 46,-3.1 -2,-0.4 2,-0.4 -0.990 17.3-149.8-130.2 135.5 23.1 -36.6 41.3 8 43 A L E -AB 52 178A 0 170,-2.7 170,-2.3 -2,-0.4 2,-0.4 -0.905 20.3-173.6-101.4 136.2 23.7 -32.9 40.8 9 44 A F E -AB 51 177A 0 42,-2.4 42,-2.5 -2,-0.4 2,-0.9 -0.989 27.6-141.6-131.5 140.3 27.3 -31.7 41.5 10 45 A N E -A 50 0A 0 166,-2.3 165,-3.1 163,-0.4 40,-0.2 -0.869 36.2-145.3 -97.7 97.3 28.9 -28.2 41.7 11 46 A K E -A 49 0A 0 38,-3.0 38,-2.1 -2,-0.9 3,-0.1 -0.485 4.9-135.5 -74.5 126.5 32.2 -29.1 40.1 12 47 A P > - 0 0 13 0, 0.0 3,-0.9 0, 0.0 35,-0.1 -0.336 33.9 -86.9 -68.8 160.3 35.3 -27.4 41.2 13 48 A Y T 3 S+ 0 0 37 1,-0.2 33,-0.2 33,-0.1 35,-0.1 -0.350 111.9 24.7 -58.4 142.3 38.0 -26.0 38.9 14 49 A D T 3 S+ 0 0 67 31,-2.2 12,-0.5 1,-0.2 2,-0.4 0.768 93.2 118.5 69.5 29.2 40.6 -28.5 37.8 15 50 A V B < -i 26 0B 0 30,-0.9 -1,-0.2 -3,-0.9 12,-0.2 -0.992 63.1-126.1-121.2 132.3 38.4 -31.6 38.4 16 51 A L - 0 0 11 10,-2.8 2,-1.6 -2,-0.4 12,-0.3 -0.499 18.9-122.7 -74.4 145.1 37.5 -33.9 35.6 17 52 A P S S+ 0 0 4 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.320 84.0 74.0 -83.9 54.9 33.8 -34.7 35.0 18 53 A Q - 0 0 22 -2,-1.6 10,-2.8 20,-0.1 11,-0.3 -0.977 69.3-138.4-159.4 163.3 34.3 -38.4 35.4 19 54 A F S S+ 0 0 31 -2,-0.3 2,-0.2 8,-0.2 10,-0.1 0.612 70.5 102.9-102.0 -23.4 35.0 -41.2 37.8 20 55 A T S S- 0 0 106 1,-0.1 8,-0.1 8,-0.0 -2,-0.1 -0.458 83.2-101.7 -67.1 136.3 37.5 -43.2 35.9 21 56 A D - 0 0 129 -2,-0.2 2,-0.4 6,-0.1 -1,-0.1 -0.204 37.9-172.9 -53.9 140.1 41.1 -42.8 37.0 22 57 A E > - 0 0 70 3,-0.4 3,-2.4 -3,-0.1 -6,-0.1 -0.967 33.7-107.5-141.2 114.7 43.2 -40.5 34.9 23 58 A A T 3 S+ 0 0 102 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.168 99.2 3.1 -50.6 124.5 46.9 -40.3 35.7 24 59 A G T 3 S+ 0 0 90 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.479 111.3 102.0 81.0 5.7 47.8 -37.0 37.3 25 60 A R < - 0 0 115 -3,-2.4 -3,-0.4 -10,-0.0 2,-0.3 -0.883 69.0-119.7-125.7 154.9 44.3 -35.7 37.4 26 61 A K B -i 15 0B 81 -12,-0.5 -10,-2.8 -2,-0.3 2,-0.2 -0.709 34.3-174.2 -90.6 138.7 41.6 -35.2 40.0 27 62 A T > - 0 0 6 -2,-0.3 3,-1.6 -12,-0.2 -8,-0.2 -0.697 43.1 -89.5-126.7 178.0 38.2 -37.0 39.4 28 63 A L G >> S+ 0 0 0 -10,-2.8 4,-2.7 -12,-0.3 3,-1.9 0.669 108.8 83.2 -66.0 -16.6 34.8 -37.2 40.9 29 64 A K G 34 S+ 0 0 95 -11,-0.3 -1,-0.3 1,-0.3 -10,-0.1 0.785 86.9 57.0 -58.0 -28.8 35.9 -40.1 43.2 30 65 A E G <4 S+ 0 0 125 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.571 120.2 27.5 -75.9 -11.1 37.3 -37.5 45.6 31 66 A F T <4 S+ 0 0 49 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.700 120.6 40.4-121.5 -31.2 33.9 -35.9 45.9 32 67 A I < - 0 0 1 -4,-2.7 2,-2.2 2,-0.1 -1,-0.2 -0.931 60.6-155.8-134.3 101.3 31.1 -38.4 45.3 33 68 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.423 57.4 112.3 -84.5 69.9 31.4 -41.9 46.8 34 69 A V - 0 0 14 -2,-2.2 2,-0.3 3,-0.1 3,-0.1 -0.988 50.7-153.3-139.3 136.3 29.1 -43.5 44.3 35 70 A Q S S+ 0 0 190 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.829 71.1 36.9-109.1 152.6 29.8 -46.0 41.5 36 71 A G S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.379 86.7 105.0 91.8 -0.3 27.9 -46.5 38.2 37 72 A V + 0 0 7 -3,-0.1 -1,-0.3 18,-0.1 2,-0.3 -0.835 41.8 175.6-111.1 151.7 26.9 -42.9 37.5 38 73 A Y E -C 54 0A 125 16,-2.1 16,-2.6 -2,-0.3 2,-0.1 -0.926 39.2 -65.9-147.5 169.3 28.5 -40.8 34.8 39 74 A A E -C 53 0A 11 -22,-0.4 2,-1.0 -2,-0.3 3,-0.3 -0.344 24.2-158.7 -69.3 131.6 28.1 -37.3 33.3 40 75 A A S S+ 0 0 0 12,-3.0 12,-0.3 1,-0.3 -1,-0.1 -0.766 95.8 5.4 -98.3 77.6 25.0 -36.4 31.3 41 76 A G S S- 0 0 12 -2,-1.0 11,-0.4 10,-0.1 -1,-0.3 0.644 92.2-127.1 105.5 88.4 26.8 -33.6 29.6 42 77 A R - 0 0 140 -3,-0.3 2,-0.4 9,-0.1 -24,-0.1 -0.335 16.8-148.4 -63.5 151.3 30.5 -33.5 30.5 43 78 A L - 0 0 5 4,-0.1 6,-0.1 6,-0.1 -4,-0.0 -0.994 28.9-102.5-124.7 127.0 31.9 -30.1 31.8 44 79 A D > - 0 0 59 -2,-0.4 3,-2.0 1,-0.1 -29,-0.2 -0.071 24.4-115.4 -57.8 154.0 35.5 -29.2 31.0 45 80 A R T 3 S+ 0 0 77 1,-0.3 -31,-2.2 -31,-0.1 -30,-0.9 0.832 117.5 46.9 -52.5 -42.5 38.2 -29.6 33.6 46 81 A D T 3 S+ 0 0 26 -33,-0.2 113,-0.4 -32,-0.2 -1,-0.3 0.333 101.0 82.8 -90.6 7.7 38.8 -25.8 33.6 47 82 A S < - 0 0 2 -3,-2.0 -32,-0.3 -32,-0.2 2,-0.3 -0.628 66.9-149.8 -98.0 168.4 35.1 -25.0 33.8 48 83 A E E + d 0 160A 1 111,-2.3 113,-2.9 -2,-0.2 2,-0.3 -0.895 42.7 34.3-133.0 159.7 33.1 -25.0 37.1 49 84 A G E S+Ad 11 161A 0 -38,-2.1 -38,-3.0 -2,-0.3 113,-0.2 -0.689 78.4 38.7 105.8-146.9 29.6 -25.7 38.1 50 85 A L E +A 10 0A 0 111,-2.9 2,-0.4 -2,-0.3 -40,-0.2 -0.226 46.9 167.9 -70.7 124.6 26.7 -27.9 37.3 51 86 A L E -A 9 0A 0 -42,-2.5 -42,-2.4 -2,-0.2 2,-0.5 -0.996 21.2-151.4-128.3 126.5 27.2 -31.5 36.4 52 87 A V E -A 8 0A 0 -2,-0.4 -12,-3.0 -11,-0.4 2,-0.4 -0.891 14.7-167.8 -97.5 126.3 24.4 -34.0 36.2 53 88 A L E +AC 7 39A 0 -46,-3.1 -46,-2.7 -2,-0.5 2,-0.3 -0.950 17.7 150.6-116.3 133.7 25.5 -37.6 37.0 54 89 A T E -AC 6 38A 0 -16,-2.6 -16,-2.1 -2,-0.4 -48,-0.2 -0.993 47.1-146.6-153.5 162.9 23.3 -40.6 36.3 55 90 A N S S+ 0 0 52 -50,-1.3 2,-0.5 -2,-0.3 -49,-0.1 0.321 72.9 105.6-100.6 0.6 23.2 -44.2 35.4 56 91 A N > - 0 0 47 -51,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.764 56.3-158.0-100.6 122.8 20.0 -43.8 33.4 57 92 A G H > S+ 0 0 49 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.838 92.0 55.9 -63.3 -38.6 20.1 -43.9 29.5 58 93 A A H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 111.5 44.1 -61.9 -45.2 16.9 -42.0 29.0 59 94 A L H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.918 111.4 53.8 -67.0 -44.0 18.1 -39.1 31.1 60 95 A Q H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.947 112.6 44.1 -52.4 -50.0 21.5 -39.2 29.4 61 96 A A H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.5 56.1 -63.6 -45.5 19.9 -39.0 26.0 62 97 A R H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 118.6 33.1 -52.3 -42.5 17.5 -36.2 27.1 63 98 A L H < S+ 0 0 9 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.749 132.1 24.6 -87.8 -27.4 20.4 -34.0 28.2 64 99 A T H < S+ 0 0 57 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.580 73.6 125.6-118.9 -19.3 23.2 -34.9 25.7 65 100 A Q S >< S- 0 0 97 -4,-2.5 3,-2.3 -5,-0.3 5,-0.2 -0.268 72.1-108.2 -55.5 126.6 21.8 -36.3 22.4 66 101 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.279 105.8 23.3 -54.0 133.9 23.3 -34.1 19.7 67 102 A G T 3 S+ 0 0 54 71,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.426 84.4 116.9 89.2 -0.6 20.5 -31.9 18.4 68 103 A K S < S- 0 0 109 -3,-2.3 71,-0.1 -7,-0.1 -3,-0.1 0.676 71.4-136.7 -73.9 -16.1 18.3 -32.0 21.5 69 104 A R - 0 0 139 69,-0.2 2,-0.3 -4,-0.2 70,-0.1 0.851 30.4-175.9 60.6 38.3 18.7 -28.2 22.0 70 105 A T - 0 0 26 -5,-0.2 2,-0.2 -7,-0.1 -1,-0.2 -0.480 23.9-124.0 -62.3 124.8 19.2 -28.7 25.8 71 106 A G - 0 0 23 -2,-0.3 94,-2.8 67,-0.1 2,-0.4 -0.523 29.5-175.1 -77.2 139.0 19.4 -25.2 27.3 72 107 A K E -EF 137 164A 17 65,-2.4 65,-2.4 -2,-0.2 2,-0.5 -0.999 12.0-153.6-133.3 136.7 22.4 -24.3 29.4 73 108 A I E -EF 136 163A 39 90,-1.9 89,-2.7 -2,-0.4 90,-1.8 -0.957 16.8-175.6-113.0 124.7 23.0 -21.1 31.3 74 109 A Y E -EF 135 161A 19 61,-3.2 61,-2.5 -2,-0.5 2,-0.5 -0.926 21.8-148.0-115.5 145.6 26.6 -20.0 32.0 75 110 A Y E -EF 134 160A 37 85,-2.8 85,-2.7 -2,-0.4 2,-0.4 -0.973 27.9-169.9-105.6 125.3 28.1 -17.2 34.0 76 111 A V E -EF 133 159A 0 57,-2.8 57,-2.6 -2,-0.5 2,-0.6 -0.971 19.2-151.0-126.0 125.7 31.2 -16.1 32.2 77 112 A Q E -EF 132 158A 14 81,-2.4 80,-3.5 -2,-0.4 81,-1.5 -0.874 28.7-177.7 -95.4 124.7 33.9 -13.7 33.4 78 113 A V E -EF 131 156A 0 53,-2.9 53,-2.1 -2,-0.6 2,-0.3 -0.823 31.7-102.4-122.8 156.7 35.6 -12.1 30.4 79 114 A E E S-E 130 0A 64 76,-2.7 51,-0.2 -2,-0.3 2,-0.0 -0.611 88.1 -1.5 -71.9 137.8 38.4 -9.6 29.8 80 115 A G S S- 0 0 15 49,-2.6 -2,-0.2 -2,-0.3 51,-0.1 -0.258 97.9 -67.0 77.5-168.6 37.1 -6.1 29.0 81 116 A I - 0 0 98 49,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.922 51.9-126.5-125.1 101.2 33.6 -4.9 28.8 82 117 A P - 0 0 9 0, 0.0 71,-0.1 0, 0.0 2,-0.1 -0.173 24.0-125.6 -50.8 139.8 31.7 -6.4 25.8 83 118 A T > - 0 0 72 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.283 21.5-109.2 -80.3 163.9 30.1 -3.9 23.5 84 119 A Q H > S+ 0 0 167 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 121.9 52.9 -59.6 -40.6 26.4 -3.9 22.5 85 120 A D H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 107.7 50.6 -61.2 -43.9 27.4 -5.0 19.0 86 121 A A H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 111.2 48.4 -61.1 -42.8 29.4 -7.9 20.4 87 122 A L H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 109.0 53.2 -66.5 -38.7 26.5 -9.1 22.6 88 123 A E H X S+ 0 0 102 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.893 108.2 51.3 -61.8 -38.3 24.1 -8.9 19.6 89 124 A A H X S+ 0 0 30 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.919 108.7 50.1 -65.0 -42.5 26.5 -11.1 17.7 90 125 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.5 47.0 -61.0 -38.6 26.6 -13.6 20.4 91 126 A R H < S+ 0 0 69 -4,-2.2 13,-1.8 12,-0.2 -1,-0.2 0.856 121.3 35.3 -71.2 -35.4 22.8 -13.6 20.5 92 127 A N H < S- 0 0 123 -4,-2.2 -2,-0.2 11,-0.2 -3,-0.2 0.829 120.4 -76.6 -91.4 -36.0 22.4 -13.9 16.7 93 128 A G < - 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0 0 16 -13,-1.8 2,-0.4 -14,-0.2 33,-0.2 -0.867 32.0-102.4-142.4 166.4 21.7 -17.7 22.1 105 140 A G E +G 136 0A 24 31,-2.4 31,-2.0 -2,-0.3 2,-0.3 -0.798 39.2 170.0 -91.8 143.2 21.1 -15.5 25.1 106 141 A A E +G 135 0A 0 -2,-0.4 2,-0.3 29,-0.2 29,-0.2 -0.869 2.7 160.4-156.4 122.4 23.8 -13.1 26.1 107 142 A E E -G 134 0A 103 27,-1.7 27,-2.6 -2,-0.3 2,-0.4 -0.998 39.9-118.7-144.4 142.4 23.6 -10.3 28.7 108 143 A L E +G 133 0A 81 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.707 45.2 176.1 -76.3 130.2 26.0 -8.2 30.7 109 144 A V E -G 132 0A 44 23,-2.5 23,-0.7 -2,-0.4 2,-0.1 -0.882 33.3 -94.4-132.7 164.1 25.3 -8.9 34.4 110 145 A D - 0 0 147 -2,-0.3 3,-0.1 1,-0.1 21,-0.1 -0.430 60.1 -81.6 -69.6 154.2 26.7 -8.0 37.8 111 146 A E - 0 0 112 1,-0.1 -1,-0.1 -2,-0.1 -34,-0.0 -0.377 64.1 -99.8 -52.3 126.7 29.2 -10.3 39.4 112 147 A P > - 0 0 12 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.298 19.5-139.2 -60.6 138.0 26.9 -13.0 40.9 113 148 A A T 3 S+ 0 0 110 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.737 102.4 56.9 -62.7 -29.9 26.3 -12.6 44.7 114 149 A W T 3 S+ 0 0 102 2,-0.0 -1,-0.3 59,-0.0 -3,-0.0 0.360 79.4 134.6 -83.9 1.0 26.6 -16.4 45.1 115 150 A L < - 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