==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-99 1C8W . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE A); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.R.KELEMEN,R.T.SWEENEY,L.W.SCHULTZ,R.T.RAINES . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0.8 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 1 1 0 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 . 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 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 K 0 0 254 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.9 22.2 -0.8 21.7 2 2 A E - 0 0 60 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.570 360.0-117.0 -74.7 140.2 23.7 2.7 22.6 3 3 A T > - 0 0 92 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.354 24.2-112.9 -72.1 161.0 24.7 2.9 26.3 4 4 A A H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 117.9 49.9 -59.4 -41.2 22.9 5.5 28.5 5 5 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.0 47.9 -64.9 -42.8 26.0 7.6 28.8 6 6 A A H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 110.1 53.3 -66.2 -36.8 26.7 7.6 25.1 7 7 A K H X S+ 0 0 79 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.916 106.6 51.3 -66.1 -39.2 23.1 8.5 24.3 8 8 A F H X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.937 111.2 49.4 -62.9 -41.5 23.3 11.5 26.7 9 9 A E H X S+ 0 0 75 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.950 112.2 46.8 -61.6 -49.6 26.5 12.7 24.9 10 10 A R H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 119.3 39.4 -61.2 -42.6 25.0 12.3 21.4 11 11 A Q H < S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.844 129.5 22.1 -79.5 -30.5 21.8 14.1 22.3 12 12 A H H < S+ 0 0 16 -4,-2.6 35,-2.9 -5,-0.3 2,-0.5 0.541 93.1 92.8-119.8 -5.2 23.1 16.8 24.5 13 13 A M B < +a 47 0A 14 -4,-2.2 2,-0.2 -5,-0.3 35,-0.1 -0.818 26.6 156.0-101.2 130.8 26.7 17.7 24.0 14 14 A D > + 0 0 4 33,-2.4 3,-0.8 -2,-0.5 32,-0.0 -0.640 8.1 154.3-141.2 78.1 28.0 20.4 21.6 15 15 A S T 3 + 0 0 65 1,-0.2 33,-0.1 -2,-0.2 -1,-0.1 0.527 60.2 82.5 -82.5 -6.6 31.3 21.5 22.9 16 16 A S T 3 S+ 0 0 104 -3,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.680 93.9 41.9 -72.6 -19.5 32.3 22.6 19.4 17 17 A T < - 0 0 51 -3,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.911 68.5-142.4-126.4 152.8 30.5 26.0 19.6 18 18 A S S S- 0 0 101 1,-0.3 2,-0.3 -2,-0.3 30,-0.2 0.732 85.4 -17.2 -83.5 -23.8 30.3 28.5 22.4 19 19 A A S S- 0 0 29 28,-0.1 2,-0.4 82,-0.0 -1,-0.3 -0.941 82.6 -80.0-169.6 161.8 26.7 29.3 21.7 20 20 A A - 0 0 18 -2,-0.3 81,-0.1 61,-0.2 61,-0.0 -0.639 40.3-175.3 -74.0 123.9 24.1 28.9 18.9 21 21 A S + 0 0 127 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.669 60.4 45.1 -94.2 -22.2 24.8 31.8 16.4 22 22 A S S > S- 0 0 62 1,-0.0 3,-1.5 0, 0.0 4,-0.3 -0.870 76.2-123.0-124.3 158.5 21.9 31.3 14.0 23 23 A S T 3 S+ 0 0 90 -2,-0.3 76,-0.3 1,-0.3 4,-0.3 0.600 113.6 61.2 -73.2 -7.8 18.2 30.6 14.1 24 24 A N T 3> S+ 0 0 94 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.406 72.6 99.9 -96.1 1.2 18.9 27.5 12.0 25 25 A Y H <> S+ 0 0 17 -3,-1.5 4,-3.0 1,-0.2 5,-0.3 0.916 82.9 46.9 -52.1 -50.4 21.2 25.9 14.7 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.899 109.1 53.7 -62.6 -43.2 18.5 23.6 16.0 27 27 A N H > S+ 0 0 48 70,-0.3 4,-1.0 -4,-0.3 -1,-0.2 0.932 114.9 41.2 -61.2 -39.9 17.4 22.4 12.5 28 28 A Q H X S+ 0 0 102 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.939 118.0 44.7 -71.0 -46.9 21.0 21.5 11.6 29 29 A M H X S+ 0 0 10 -4,-3.0 4,-2.1 1,-0.2 6,-0.2 0.859 108.8 55.1 -65.3 -39.2 22.0 19.9 14.9 30 30 A M H <>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.3 6,-0.4 0.882 114.6 43.2 -63.7 -34.0 18.8 17.9 15.4 31 31 A K H ><5S+ 0 0 151 -4,-1.0 3,-1.8 -5,-0.3 5,-0.3 0.953 112.0 51.1 -75.2 -48.3 19.5 16.4 12.0 32 32 A S H 3<5S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.767 110.1 50.4 -58.3 -33.5 23.2 15.9 12.5 33 33 A R T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.351 115.0-116.4 -91.7 6.7 22.7 14.1 15.7 34 34 A N T < 5S+ 0 0 106 -3,-1.8 3,-0.5 1,-0.1 4,-0.2 0.808 74.1 134.0 64.3 35.9 20.1 11.8 14.1 35 35 A L < + 0 0 14 -5,-2.7 6,-1.5 -6,-0.2 -4,-0.2 0.345 68.5 51.6 -94.6 6.2 17.4 13.1 16.3 36 36 A T S S+ 0 0 31 -6,-0.4 -1,-0.2 -5,-0.3 59,-0.1 0.112 78.2 110.7-123.9 16.8 14.9 13.5 13.3 37 37 A K S S+ 0 0 143 -3,-0.5 -2,-0.1 1,-0.1 3,-0.1 0.961 94.3 5.2 -58.5 -65.4 15.4 10.0 11.9 38 38 A D S S- 0 0 112 1,-0.3 2,-0.3 -4,-0.2 -1,-0.1 0.640 139.9 -10.4-101.2 -12.3 12.1 8.3 12.6 39 39 A R S S- 0 0 166 54,-0.1 2,-0.8 -4,-0.1 -1,-0.3 -0.946 82.3 -83.1-166.2 174.7 10.3 11.2 14.0 40 40 A b - 0 0 11 -2,-0.3 -4,-0.2 -3,-0.1 52,-0.1 -0.842 40.0-135.6 -95.0 109.3 10.9 14.8 15.1 41 41 A K - 0 0 53 -6,-1.5 3,-0.1 -2,-0.8 45,-0.1 -0.536 18.4-144.8 -62.1 126.2 12.1 14.7 18.7 42 42 A P S S+ 0 0 77 0, 0.0 44,-2.6 0, 0.0 2,-0.4 0.837 71.3 18.4 -67.7 -38.6 9.9 17.5 20.1 43 43 A V E + B 0 85A 56 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -0.997 64.4 154.4-138.8 136.0 12.3 19.0 22.6 44 44 A N E - B 0 84A 3 40,-2.9 40,-1.9 -2,-0.4 2,-0.3 -0.895 21.9-151.0-162.8 131.8 16.0 18.8 23.1 45 45 A G E - B 0 83A 9 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.799 5.3-153.9-109.7 149.6 18.7 20.9 24.7 46 46 A F E - B 0 82A 0 36,-2.6 36,-2.7 -2,-0.3 2,-0.5 -0.950 10.1-145.1-117.3 134.6 22.5 21.1 23.8 47 47 A V E -aB 13 81A 0 -35,-2.9 -33,-2.4 -2,-0.4 2,-0.9 -0.897 0.6-155.0-104.3 126.6 25.2 22.2 26.3 48 48 A H + 0 0 9 32,-3.3 32,-0.3 -2,-0.5 2,-0.3 -0.498 60.5 96.4 -99.2 59.0 28.1 24.2 25.0 49 49 A E S S- 0 0 54 -2,-0.9 -35,-0.2 30,-0.1 -2,-0.1 -0.883 84.2 -79.7-135.3 168.6 30.6 23.3 27.6 50 50 A S > - 0 0 52 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.377 38.0-118.8 -70.1 157.9 33.4 20.7 27.7 51 51 A L H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.900 115.3 56.6 -62.1 -41.8 32.4 17.2 28.4 52 52 A A H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 106.0 50.3 -58.0 -41.4 34.6 17.2 31.4 53 53 A D H 4 S+ 0 0 81 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.873 112.6 46.3 -64.9 -36.8 32.7 20.2 32.8 54 54 A V H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 4,-0.4 0.921 111.6 50.3 -71.9 -42.9 29.3 18.5 32.3 55 55 A Q H >< S+ 0 0 70 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.878 101.4 64.9 -60.7 -35.6 30.5 15.3 33.8 56 56 A A G >< S+ 0 0 38 -4,-2.0 3,-2.0 1,-0.3 -1,-0.3 0.690 82.6 77.4 -62.0 -17.5 31.8 17.2 36.8 57 57 A V G X S+ 0 0 0 -3,-1.4 3,-2.0 -4,-0.4 -1,-0.3 0.807 78.5 71.7 -64.1 -25.1 28.2 18.2 37.6 58 58 A c G < S+ 0 0 8 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.566 99.7 47.2 -66.5 -7.0 27.7 14.7 39.0 59 59 A S G < S+ 0 0 96 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.095 104.6 80.0-114.6 13.9 29.9 15.8 42.0 60 60 A Q S < S- 0 0 43 -3,-2.0 2,-0.6 1,-0.2 15,-0.1 0.267 94.9 -14.9 -97.3-139.4 28.1 19.1 42.5 61 61 A K E -D 74 0B 127 13,-1.6 13,-2.5 1,-0.1 2,-0.4 -0.545 62.6-141.4 -77.0 115.3 24.8 20.0 44.2 62 62 A N E +D 73 0B 85 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.585 32.5 164.0 -76.7 125.6 22.7 17.0 45.0 63 63 A V E -D 72 0B 41 9,-2.3 9,-1.1 -2,-0.4 2,-0.1 -0.943 41.6 -90.6-137.0 160.1 19.0 17.6 44.4 64 64 A A - 0 0 67 -2,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.416 41.1-121.2 -69.0 148.5 15.9 15.6 44.0 65 65 A d > - 0 0 6 4,-3.5 3,-3.9 1,-0.1 -1,-0.1 -0.596 28.7-106.4 -85.4 152.4 14.9 14.6 40.5 66 66 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.691 124.6 56.0 -49.6 -22.7 11.4 15.7 39.2 67 67 A N T 3 S- 0 0 97 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.404 122.8-106.2 -90.4 -5.3 10.6 12.0 39.6 68 68 A G S < S+ 0 0 54 -3,-3.9 -2,-0.1 1,-0.4 -4,-0.0 0.258 78.3 128.7 98.1 -14.0 11.5 11.9 43.3 69 69 A Q - 0 0 103 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.4 -0.322 55.2-139.0 -71.8 161.1 14.8 10.0 42.8 70 70 A T S S+ 0 0 95 -6,-0.2 -1,-0.1 1,-0.2 -6,-0.1 0.050 76.4 94.8-115.1 32.1 17.8 11.5 44.4 71 71 A N + 0 0 25 -9,-0.1 39,-2.3 2,-0.0 2,-0.3 -0.032 60.1 112.6-105.7 29.2 20.5 11.0 41.9 72 72 A d E -DE 63 109B 0 -9,-1.1 -9,-2.3 -3,-0.2 2,-0.3 -0.722 44.7-169.4-100.6 152.5 20.1 14.5 40.3 73 73 A Y E -DE 62 108B 32 35,-2.1 35,-2.4 -2,-0.3 2,-0.4 -0.994 12.2-145.0-141.8 140.1 22.7 17.2 40.6 74 74 A Q E -DE 61 107B 57 -13,-2.5 -13,-1.6 -2,-0.3 33,-0.2 -0.876 29.0-110.5-108.4 140.0 22.5 20.9 39.7 75 75 A S - 0 0 2 31,-2.6 4,-0.1 -2,-0.4 -18,-0.1 -0.378 15.6-139.8 -66.2 140.5 25.5 22.7 38.3 76 76 A Y S S+ 0 0 156 29,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.875 88.8 40.8 -67.4 -37.7 27.1 25.3 40.7 77 77 A S S S- 0 0 73 27,-0.1 29,-0.4 1,-0.0 2,-0.2 -0.619 93.5-103.3-107.8 170.1 27.5 27.7 37.8 78 78 A T - 0 0 73 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.571 38.4-156.7 -81.7 156.2 25.4 28.6 34.8 79 79 A M E - C 0 104A 9 25,-3.0 25,-2.4 -2,-0.2 2,-0.5 -0.941 24.2 -98.0-134.1 157.9 26.4 27.1 31.5 80 80 A S E + C 0 103A 12 -2,-0.3 -32,-3.3 -32,-0.3 2,-0.3 -0.589 53.6 167.6 -75.3 122.9 25.8 28.0 27.8 81 81 A I E -BC 47 102A 5 21,-3.1 21,-2.7 -2,-0.5 2,-0.5 -0.957 30.2-149.7-138.1 159.5 22.9 26.0 26.4 82 82 A T E -BC 46 101A 0 -36,-2.7 -36,-2.6 -2,-0.3 2,-0.4 -0.990 13.5-152.3-128.1 122.3 20.6 25.9 23.4 83 83 A D E -BC 45 100A 49 17,-3.4 17,-2.3 -2,-0.5 2,-0.5 -0.795 8.6-160.5 -93.9 135.2 17.1 24.7 23.7 84 84 A a E +BC 44 99A 1 -40,-1.9 -40,-2.9 -2,-0.4 2,-0.4 -0.973 14.8 172.1-117.3 126.7 15.6 23.2 20.6 85 85 A R E -BC 43 98A 154 13,-1.7 13,-3.5 -2,-0.5 -42,-0.2 -0.998 35.1-112.6-138.3 136.5 11.8 22.9 20.3 86 86 A E E - C 0 97A 59 -44,-2.6 11,-0.2 -2,-0.4 2,-0.2 -0.330 36.5-121.7 -63.1 138.4 9.6 21.9 17.5 87 87 A T - 0 0 45 9,-1.9 9,-0.2 1,-0.1 -1,-0.1 -0.531 24.9-108.1 -81.0 153.4 7.5 24.8 16.2 88 88 A G S S+ 0 0 92 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.764 120.6 53.8 -49.8 -28.3 3.7 24.4 16.2 89 89 A S S S+ 0 0 104 2,-0.0 -1,-0.2 7,-0.0 -3,-0.1 0.999 80.8 115.0 -66.3 -74.1 4.0 24.1 12.4 90 90 A S - 0 0 17 1,-0.1 2,-0.4 6,-0.1 5,-0.2 0.555 38.7-177.7 -3.0 120.7 6.6 21.2 12.1 91 91 A K B > -G 94 0C 172 3,-1.2 3,-5.0 -52,-0.0 -1,-0.1 -0.983 34.1 -79.5-138.3 125.3 5.6 17.9 10.5 92 92 A Y T 3 S+ 0 0 114 -2,-0.4 -54,-0.0 1,-0.4 -56,-0.0 -0.395 117.3 22.5 -60.0 135.7 7.6 14.8 10.2 93 93 A P T 3 S+ 0 0 87 0, 0.0 2,-0.9 0, 0.0 -1,-0.4 -0.881 120.0 63.8 -95.3 24.7 9.6 14.5 8.1 94 94 A N B < S-G 91 0C 128 -3,-5.0 -3,-1.2 2,-0.0 2,-0.1 -0.543 75.2-172.8-103.7 70.1 9.8 18.2 7.7 95 95 A b - 0 0 29 -2,-0.9 2,-0.4 -5,-0.2 -64,-0.1 -0.359 6.0-178.7 -65.6 133.2 11.2 18.9 11.1 96 96 A A - 0 0 33 -9,-0.2 -9,-1.9 -2,-0.1 2,-0.4 -0.997 4.5-167.3-135.0 131.6 11.4 22.5 12.1 97 97 A Y E -C 86 0A 10 -2,-0.4 2,-0.5 -11,-0.2 -70,-0.3 -0.937 21.1-134.4-125.5 149.1 12.8 23.9 15.3 98 98 A K E -C 85 0A 129 -13,-3.5 -13,-1.7 -2,-0.4 2,-0.5 -0.804 26.8-144.6 -92.3 132.8 12.9 27.1 17.3 99 99 A T E -C 84 0A 26 -2,-0.5 2,-0.5 -76,-0.3 -15,-0.2 -0.877 18.7-179.2-102.4 125.4 16.4 27.8 18.6 100 100 A T E -C 83 0A 58 -17,-2.3 -17,-3.4 -2,-0.5 2,-0.3 -0.961 9.1-161.2-128.7 113.1 16.7 29.5 22.0 101 101 A Q E +C 82 0A 61 -2,-0.5 2,-0.3 -19,-0.3 -19,-0.2 -0.724 24.5 151.9 -90.3 135.5 20.2 30.3 23.4 102 102 A A E -C 81 0A 28 -21,-2.7 -21,-3.1 -2,-0.3 2,-0.5 -0.973 43.5-122.4-157.6 168.9 20.6 31.0 27.1 103 103 A N E +C 80 0A 109 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.983 52.3 133.9-116.7 115.8 22.9 30.8 30.1 104 104 A K E -C 79 0A 32 -25,-2.4 -25,-3.0 -2,-0.5 2,-0.2 -0.961 56.6 -85.9-156.6 171.5 21.5 28.7 32.9 105 105 A H - 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