==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-SEP-10 3OU2 . COMPND 2 MOLECULE: SAM-DEPENDENT METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LURIDUS; . AUTHOR B.BAE,S.K.NAIR . 205 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 11.2 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 . 2 1.0 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 . 1 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 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 3 A T 0 0 57 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.6 45.6 37.7 8.5 2 4 A S > - 0 0 59 1,-0.1 4,-1.7 4,-0.0 3,-0.1 -0.396 360.0-120.2 -85.1 160.4 45.6 34.2 10.0 3 5 A H H > S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.830 115.8 65.0 -63.5 -32.4 47.8 31.3 9.1 4 6 A G H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 102.4 45.8 -54.2 -45.1 44.4 29.6 8.3 5 7 A L H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 113.3 48.7 -65.0 -48.5 43.9 32.1 5.4 6 8 A I H X S+ 0 0 8 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.906 114.9 45.3 -56.8 -45.4 47.4 31.7 4.1 7 9 A E H X S+ 0 0 67 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.890 111.5 52.6 -67.8 -40.4 47.1 27.9 4.2 8 10 A S H X S+ 0 0 18 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.941 110.1 48.2 -59.4 -49.8 43.6 28.0 2.6 9 11 A Q H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.905 113.8 46.3 -58.1 -44.6 44.9 30.1 -0.3 10 12 A L H X S+ 0 0 10 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.918 109.9 54.6 -65.5 -42.3 47.9 27.8 -0.9 11 13 A S H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.850 101.7 58.9 -59.3 -36.8 45.6 24.7 -0.6 12 14 A Y H X S+ 0 0 28 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.937 108.9 44.0 -56.8 -47.8 43.4 26.2 -3.4 13 15 A Y H X S+ 0 0 27 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.839 108.7 56.6 -71.3 -32.6 46.4 26.3 -5.8 14 16 A R H < S+ 0 0 60 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.917 111.9 44.5 -57.6 -43.8 47.5 22.8 -4.7 15 17 A A H < S+ 0 0 38 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.812 117.9 43.7 -69.6 -32.6 44.1 21.6 -5.7 16 18 A R H >X S+ 0 0 55 -4,-1.7 3,-1.3 -5,-0.2 4,-1.0 0.532 82.3 101.5 -91.8 -10.3 44.0 23.6 -9.0 17 19 A A G >< S+ 0 0 3 -4,-1.3 3,-0.8 -3,-0.3 4,-0.5 0.838 80.0 49.8 -49.0 -47.3 47.5 22.9 -10.3 18 20 A S G 34 S+ 0 0 90 -4,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.760 121.8 33.7 -68.8 -24.4 46.7 20.3 -12.9 19 21 A E G <> S+ 0 0 134 -3,-1.3 4,-1.1 -4,-0.1 -1,-0.2 0.343 90.4 101.7-108.1 4.1 43.9 22.4 -14.5 20 22 A Y H XX S+ 0 0 18 -4,-1.0 4,-3.1 -3,-0.8 3,-0.6 0.901 79.3 49.3 -58.5 -48.8 45.6 25.8 -13.9 21 23 A D H 3> S+ 0 0 34 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.842 100.8 62.9 -62.7 -37.2 46.9 26.3 -17.4 22 24 A A H 34 S+ 0 0 81 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.4 31.4 -56.4 -36.4 43.6 25.5 -19.1 23 25 A T H S+ 0 0 2 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.606 94.4 88.5 -87.4 -13.5 47.5 41.0 -22.2 32 34 A A H X S+ 0 0 10 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.873 82.9 52.5 -58.4 -45.5 50.4 38.6 -22.8 33 35 A P H > S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.925 112.3 45.3 -59.3 -44.2 52.1 40.6 -25.7 34 36 A A H > S+ 0 0 22 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.888 116.1 47.3 -63.3 -40.8 52.1 43.8 -23.7 35 37 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.921 111.0 50.4 -66.5 -44.7 53.5 42.0 -20.7 36 38 A L H X S+ 0 0 23 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.781 103.4 60.8 -66.4 -28.6 56.1 40.1 -22.6 37 39 A E H < S+ 0 0 152 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.919 110.5 40.2 -61.4 -46.4 57.3 43.4 -24.2 38 40 A R H >< S+ 0 0 52 -4,-1.3 3,-1.4 -3,-0.2 5,-0.4 0.890 112.2 56.8 -69.3 -38.7 58.2 44.7 -20.8 39 41 A L H 3<>S+ 0 0 1 -4,-2.4 5,-0.5 1,-0.3 3,-0.5 0.879 112.2 41.5 -59.9 -38.3 59.6 41.4 -19.7 40 42 A R T 3<5S+ 0 0 143 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.334 84.6 105.6 -90.8 6.9 62.0 41.4 -22.6 41 43 A A T < 5S- 0 0 73 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 0.571 101.3 -89.3 -70.1 -13.2 62.9 45.1 -22.2 42 44 A G T 5S+ 0 0 32 -3,-0.5 -2,-0.1 -4,-0.2 -1,-0.1 0.389 104.8 93.1 125.9 -1.7 66.3 44.4 -20.6 43 45 A N T 5 + 0 0 50 -5,-0.4 2,-1.5 -4,-0.1 96,-0.2 0.706 67.1 80.8 -91.0 -23.2 66.0 44.1 -16.8 44 46 A I S + 0 0 0 19,-1.8 3,-2.4 -3,-0.3 6,-0.4 0.632 9.0 176.6 -66.8 -17.2 56.2 30.4 -10.2 54 56 A G T 3 - 0 0 0 1,-0.3 28,-0.4 18,-0.2 -1,-0.2 -0.215 67.9 -10.0 56.0-126.7 53.1 28.2 -10.4 55 57 A T T 3 S- 0 0 1 152,-0.3 -1,-0.3 26,-0.1 29,-0.1 0.353 101.6-102.5 -87.2 3.8 53.0 26.1 -13.6 56 58 A G S <> S+ 0 0 0 -3,-2.4 4,-2.4 3,-0.1 5,-0.2 0.682 74.7 143.1 82.9 20.0 55.9 27.9 -15.1 57 59 A Y H > S+ 0 0 35 -4,-0.4 4,-0.5 150,-0.2 -3,-0.1 0.928 88.0 25.2 -55.3 -46.3 54.0 30.1 -17.5 58 60 A W H > S+ 0 0 0 -5,-0.3 4,-2.6 2,-0.2 3,-0.3 0.784 114.1 68.3 -86.6 -30.6 56.4 32.9 -16.8 59 61 A T H > S+ 0 0 0 -6,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.869 94.4 58.3 -56.6 -40.3 59.3 30.6 -15.8 60 62 A R H X S+ 0 0 133 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.911 111.2 41.8 -53.7 -46.3 59.5 29.4 -19.4 61 63 A H H X S+ 0 0 20 -4,-0.5 4,-0.8 -3,-0.3 3,-0.3 0.896 113.7 51.0 -68.8 -43.9 60.1 33.0 -20.5 62 64 A L H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-1.0 0.900 104.7 58.5 -60.8 -40.7 62.5 33.9 -17.7 63 65 A S H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 106.0 49.2 -57.0 -38.2 64.5 30.8 -18.5 64 66 A G H 3< S+ 0 0 71 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.669 118.3 39.4 -75.0 -18.7 65.1 32.1 -22.0 65 67 A L H << S+ 0 0 55 -3,-1.0 -19,-0.3 -4,-0.8 -2,-0.2 0.751 107.8 66.4-101.0 -31.0 66.2 35.5 -20.7 66 68 A A S < S- 0 0 9 -4,-2.8 -19,-0.2 -21,-0.2 3,-0.2 -0.503 70.7-134.8 -96.9 158.4 68.2 34.7 -17.6 67 69 A D S S- 0 0 120 -21,-2.2 2,-0.3 1,-0.3 -20,-0.2 0.917 97.0 -3.3 -69.0 -46.8 71.5 32.9 -17.1 68 70 A R E -a 47 0A 96 -22,-1.2 -20,-2.9 -6,-0.0 2,-0.4 -0.989 68.3-151.7-146.4 146.4 69.9 31.0 -14.3 69 71 A V E -ac 48 90A 0 20,-2.7 22,-2.6 -2,-0.3 2,-0.5 -0.981 4.8-163.6-121.5 133.1 66.5 31.0 -12.6 70 72 A T E -ac 49 91A 8 -22,-2.5 -20,-3.1 -2,-0.4 2,-0.5 -0.989 19.7-166.5-105.6 123.5 65.6 30.1 -9.0 71 73 A A E -ac 50 92A 0 20,-2.9 22,-2.3 -2,-0.5 2,-0.4 -0.961 2.6-165.4-121.1 119.5 61.8 29.6 -9.0 72 74 A L E +ac 51 93A 7 -22,-2.9 -19,-1.8 -2,-0.5 -20,-1.1 -0.861 14.8 160.4-107.9 135.3 59.9 29.4 -5.7 73 75 A D E - c 0 94A 0 20,-1.8 22,-1.8 -2,-0.4 23,-0.1 -0.987 39.3-136.3-147.9 149.3 56.3 28.2 -5.2 74 76 A G S S+ 0 0 6 -2,-0.3 2,-0.6 20,-0.2 22,-0.1 0.651 86.5 76.5 -75.3 -16.6 54.4 27.0 -2.1 75 77 A S > - 0 0 0 1,-0.1 4,-2.0 20,-0.1 5,-0.1 -0.871 56.6-165.6-107.6 121.1 52.9 24.1 -4.0 76 78 A A H > S+ 0 0 45 -2,-0.6 4,-2.6 2,-0.2 -1,-0.1 0.839 97.1 59.4 -62.6 -35.1 54.8 20.9 -4.9 77 79 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 105.8 47.2 -59.7 -43.5 51.9 20.2 -7.3 78 80 A M H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 110.5 51.4 -63.7 -45.7 52.7 23.4 -9.1 79 81 A I H X S+ 0 0 34 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.910 108.1 53.1 -59.1 -41.9 56.4 22.7 -9.3 80 82 A A H < S+ 0 0 71 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.906 110.1 47.7 -58.3 -43.8 55.5 19.2 -10.8 81 83 A E H >< S+ 0 0 58 -4,-1.9 3,-1.5 1,-0.2 4,-0.2 0.906 108.0 55.4 -62.7 -41.8 53.5 21.0 -13.5 82 84 A A H >< S+ 0 0 1 -4,-2.6 3,-1.3 -28,-0.4 5,-0.3 0.764 94.1 69.5 -64.9 -26.1 56.3 23.4 -14.1 83 85 A G G >< S+ 0 0 45 -4,-1.4 3,-1.6 -3,-0.3 -1,-0.3 0.696 79.6 78.7 -62.9 -20.9 58.7 20.5 -14.7 84 86 A R G < S+ 0 0 156 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.767 83.6 63.5 -59.1 -27.6 56.8 19.8 -18.0 85 87 A H G < S- 0 0 47 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.643 96.0-141.7 -74.2 -17.0 58.7 22.6 -19.7 86 88 A G < - 0 0 49 -3,-1.6 2,-0.6 1,-0.2 -3,-0.1 0.865 27.6-177.7 57.1 42.0 62.1 20.8 -19.2 87 89 A L > - 0 0 33 -5,-0.3 3,-0.9 1,-0.1 -1,-0.2 -0.622 14.5-163.6 -78.6 117.0 63.9 24.1 -18.4 88 90 A D T 3 S+ 0 0 160 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.663 83.4 49.7 -79.4 -18.1 67.6 23.2 -17.9 89 91 A N T 3 S+ 0 0 33 -23,-0.1 -20,-2.7 -21,-0.0 2,-0.5 0.041 92.0 97.1-109.1 25.8 68.6 26.5 -16.2 90 92 A V E < -c 69 0A 17 -3,-0.9 2,-0.6 -22,-0.2 -20,-0.2 -0.964 50.6-165.1-121.3 126.8 65.9 26.5 -13.6 91 93 A E E -c 70 0A 75 -22,-2.6 -20,-2.9 -2,-0.5 2,-0.4 -0.956 14.3-156.6-105.4 118.1 66.0 25.3 -10.0 92 94 A F E -c 71 0A 47 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.777 12.1-176.6 -91.9 137.2 62.6 25.0 -8.4 93 95 A R E -c 72 0A 136 -22,-2.3 -20,-1.8 -2,-0.4 2,-0.5 -1.000 26.8-125.0-134.2 135.8 62.2 25.1 -4.6 94 96 A Q E +c 73 0A 117 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.691 45.2 157.9 -78.0 124.1 59.2 24.6 -2.5 95 97 A Q - 0 0 57 -22,-1.8 2,-0.7 -2,-0.5 -43,-0.2 -0.955 44.9-134.1-153.4 126.4 58.8 27.7 -0.2 96 98 A D > - 0 0 32 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.755 23.4-150.4 -74.9 115.0 55.9 29.4 1.7 97 99 A L T 3 S+ 0 0 9 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.675 92.9 62.1 -67.4 -16.7 56.6 33.0 0.7 98 100 A F T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -92,-0.0 -2,-0.0 0.607 110.0 40.2 -83.4 -11.2 55.1 34.2 4.0 99 101 A D S < S+ 0 0 115 -3,-1.7 2,-0.3 2,-0.0 -2,-0.2 0.379 94.3 124.4-104.0 -2.3 57.9 32.3 5.9 100 102 A W + 0 0 12 -4,-0.5 29,-0.1 -3,-0.2 -3,-0.0 -0.430 26.3 163.4 -83.3 126.7 60.6 33.3 3.4 101 103 A T - 0 0 112 -2,-0.3 28,-0.1 31,-0.0 29,-0.1 -0.971 37.1-126.9-130.2 121.0 63.9 35.1 4.1 102 104 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 28,-0.0 -0.311 15.1-163.5 -69.7 149.5 66.5 34.8 1.3 103 105 A D S S+ 0 0 154 30,-0.1 2,-0.3 2,-0.0 30,-0.0 0.177 76.8 28.6-115.3 11.0 70.0 33.5 2.0 104 106 A R S S- 0 0 97 31,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.899 78.9-114.5-150.1-177.1 71.4 34.8 -1.2 105 107 A Q - 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 29,-0.2 -0.885 17.2-158.8-127.3 157.4 70.8 37.6 -3.8 106 108 A W E - d 0 134A 12 27,-2.9 29,-2.9 -2,-0.3 -58,-0.2 -0.916 25.8-127.4-132.7 158.2 69.7 37.9 -7.4 107 109 A D E S+ 0 0 70 -60,-2.0 32,-1.6 -2,-0.3 2,-0.3 0.788 95.8 16.7 -76.0 -29.6 70.0 40.5 -10.2 108 110 A A E -bd 48 139A 0 -61,-1.3 -59,-2.8 30,-0.2 2,-0.4 -0.996 61.8-159.7-144.4 143.0 66.3 40.5 -10.9 109 111 A V E -bd 49 140A 0 30,-2.1 32,-2.9 -2,-0.3 2,-0.4 -0.994 17.2-176.8-121.0 131.2 63.2 39.3 -9.1 110 112 A F E +bd 50 141A 0 -61,-2.7 -59,-2.2 -2,-0.4 2,-0.3 -0.978 8.6 169.1-126.7 143.1 60.0 38.7 -11.0 111 113 A F E -bd 51 142A 1 30,-1.4 32,-1.9 -2,-0.4 2,-0.4 -0.975 15.1-157.2-148.2 144.2 56.5 37.7 -10.0 112 114 A A E S- d 0 143A 0 -61,-0.5 32,-0.2 -2,-0.3 -54,-0.1 -0.973 77.5 -10.4-119.6 132.5 53.2 37.5 -11.8 113 115 A H S S+ 0 0 16 30,-2.6 31,-0.1 -2,-0.4 -1,-0.1 0.700 103.4 107.7 57.2 24.1 49.8 37.6 -10.0 114 116 A W > + 0 0 3 29,-0.5 3,-2.4 2,-0.1 4,-0.2 0.874 62.5 60.1 -92.8 -45.2 51.4 37.2 -6.7 115 117 A L G > S+ 0 0 2 1,-0.3 3,-2.1 28,-0.3 29,-0.1 0.829 96.7 61.7 -59.9 -33.3 51.1 40.6 -5.0 116 118 A A G 3 S+ 0 0 4 1,-0.3 52,-2.5 51,-0.1 -1,-0.3 0.618 99.7 57.4 -68.6 -11.4 47.3 40.5 -5.1 117 119 A H G < S+ 0 0 15 -3,-2.4 -1,-0.3 50,-0.2 49,-0.2 0.353 89.5 89.9 -92.4 1.4 47.5 37.4 -2.9 118 120 A V S < S- 0 0 0 -3,-2.1 5,-0.1 -4,-0.2 -1,-0.0 -0.887 75.6-138.9-102.2 112.7 49.4 39.4 -0.3 119 121 A P >> - 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.273 25.3-106.6 -67.1 158.4 47.2 41.1 2.3 120 122 A D H >> S+ 0 0 86 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.839 118.8 56.6 -51.9 -39.9 47.9 44.7 3.4 121 123 A D H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.594 113.5 40.0 -73.6 -8.8 49.1 43.5 6.8 122 124 A R H <> S+ 0 0 66 -3,-1.9 4,-2.1 2,-0.1 -1,-0.2 0.423 91.8 92.0-112.7 -4.2 51.7 41.2 5.2 123 125 A F H S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 110.4 52.7 -62.8 -40.8 57.3 42.1 5.5 126 128 A F H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.943 110.1 47.4 -58.5 -49.0 57.0 40.6 2.0 127 129 A W H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.759 106.7 58.3 -67.2 -24.4 58.8 43.6 0.5 128 130 A E H X S+ 0 0 116 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.900 108.8 45.2 -66.8 -41.4 61.5 43.4 3.3 129 131 A S H X S+ 0 0 20 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.914 112.8 50.3 -67.2 -42.7 62.3 39.8 2.1 130 132 A V H >X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 3,-0.7 0.937 108.1 54.3 -58.2 -46.6 62.2 40.9 -1.5 131 133 A R H >< S+ 0 0 56 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.900 106.8 50.7 -53.0 -44.9 64.6 43.8 -0.6 132 134 A S H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.784 106.4 56.1 -65.8 -26.6 67.0 41.3 0.9 133 135 A A H << S+ 0 0 0 -4,-1.3 -27,-2.9 -3,-0.7 2,-0.6 0.595 86.4 96.8 -80.3 -13.1 66.9 39.2 -2.2 134 136 A V E << -d 106 0A 10 -3,-1.1 -27,-0.2 -4,-0.7 3,-0.1 -0.719 66.9-143.9 -89.5 117.3 68.0 42.0 -4.5 135 137 A A E > - 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