==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-11 3R3H . COMPND 2 MOLECULE: O-METHYLTRANSFERASE, SAM-DEPENDENT; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR R.AGARWAL,S.C.ALMO,S.SWAMINATHAN,NEW YORK STRUCTURAL GENOMIC . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 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 . 0 0.0 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 2 3 0 4 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 4 A K 0 0 150 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 8.0 20.3 35.9 2 5 A H - 0 0 73 221,-0.1 2,-0.7 425,-0.0 425,-0.1 -0.813 360.0-112.9-101.5 135.8 8.6 22.4 32.8 3 6 A L - 0 0 55 -2,-0.4 2,-0.9 423,-0.3 220,-0.4 -0.522 24.7-155.3 -70.8 107.3 8.4 26.2 32.6 4 7 A S - 0 0 70 -2,-0.7 2,-0.5 218,-0.1 218,-0.1 -0.725 12.6-145.4 -84.8 105.5 5.5 27.3 30.4 5 8 A L - 0 0 39 -2,-0.9 215,-0.1 216,-0.5 419,-0.0 -0.631 20.1-171.3 -77.7 121.7 6.3 30.7 29.2 6 9 A T > - 0 0 56 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.588 36.8-107.0-105.3 168.1 3.2 32.8 28.9 7 10 A P H > S+ 0 0 73 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.867 119.6 53.6 -63.2 -36.0 2.8 36.3 27.3 8 11 A E H > S+ 0 0 125 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.865 112.8 42.0 -67.1 -37.9 2.4 37.9 30.7 9 12 A L H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.844 111.0 54.4 -77.8 -35.8 5.6 36.4 32.0 10 13 A Y H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.867 106.1 55.3 -63.5 -35.6 7.5 37.1 28.8 11 14 A K H X S+ 0 0 124 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.900 110.3 45.0 -60.9 -43.3 6.4 40.7 29.4 12 15 A Y H X S+ 0 0 29 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.926 110.5 53.3 -66.2 -49.3 8.0 40.5 32.8 13 16 A L H X S+ 0 0 3 -4,-3.1 4,-1.7 1,-0.2 5,-0.5 0.961 112.0 45.5 -49.8 -57.7 11.2 38.9 31.5 14 17 A L H X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.907 110.8 54.4 -52.2 -49.1 11.6 41.7 29.0 15 18 A D H < S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.0 38.2 -54.3 -51.5 10.8 44.4 31.5 16 19 A I H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.647 133.4 19.8 -79.8 -15.9 13.5 43.3 34.1 17 20 A S H < S+ 0 0 1 -4,-1.7 2,-0.3 -3,-0.3 -3,-0.2 0.726 86.5 103.9-125.1 -32.2 16.2 42.4 31.6 18 21 A L < + 0 0 40 -4,-2.3 2,-0.3 -5,-0.5 26,-0.1 -0.393 35.0 173.4 -60.9 115.8 15.8 43.9 28.1 19 22 A R - 0 0 94 -2,-0.3 2,-0.2 401,-0.1 -1,-0.1 -0.646 18.9-179.7-123.5 68.4 18.2 46.7 27.9 20 23 A E - 0 0 43 -2,-0.3 24,-0.0 1,-0.1 -2,-0.0 -0.502 27.0-123.9 -78.7 135.7 17.6 47.5 24.2 21 24 A H >> - 0 0 64 -2,-0.2 4,-2.4 1,-0.1 3,-1.0 -0.590 25.1-118.7 -79.4 137.4 19.4 50.3 22.3 22 25 A P H 3> S+ 0 0 86 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.802 113.6 51.4 -41.7 -47.2 17.1 52.9 20.6 23 26 A A H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.871 113.1 48.1 -62.9 -36.8 18.3 52.1 17.0 24 27 A L H <> S+ 0 0 8 -3,-1.0 4,-3.4 2,-0.2 5,-0.2 0.984 112.6 45.5 -64.7 -59.4 17.6 48.4 17.8 25 28 A A H X S+ 0 0 30 -4,-2.4 4,-3.6 1,-0.2 -2,-0.2 0.870 116.7 48.5 -51.2 -40.3 14.2 49.1 19.2 26 29 A A H X S+ 0 0 33 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.900 110.1 48.8 -68.1 -45.5 13.5 51.4 16.3 27 30 A L H < S+ 0 0 2 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.953 117.5 44.4 -59.4 -46.9 14.8 48.9 13.7 28 31 A R H >< S+ 0 0 99 -4,-3.4 3,-2.6 1,-0.2 4,-0.4 0.983 113.6 46.7 -59.9 -63.3 12.5 46.3 15.3 29 32 A K H >< S+ 0 0 69 -4,-3.6 3,-0.6 1,-0.3 4,-0.3 0.790 109.7 56.1 -50.8 -33.6 9.4 48.5 15.8 30 33 A E T 3< S+ 0 0 115 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.365 115.8 36.5 -82.6 5.1 9.8 49.7 12.1 31 34 A T T < S+ 0 0 13 -3,-2.6 6,-0.5 -4,-0.1 -1,-0.2 0.183 82.4 106.5-138.7 12.8 9.7 46.1 10.8 32 35 A S S < S+ 0 0 72 -3,-0.6 -2,-0.1 -4,-0.4 -3,-0.1 0.932 85.4 45.0 -58.7 -50.5 7.2 44.5 13.3 33 36 A T S S+ 0 0 128 -4,-0.3 -1,-0.2 4,-0.1 -2,-0.1 0.861 93.4 100.2 -60.3 -42.1 4.4 44.4 10.6 34 37 A M S > S- 0 0 40 1,-0.1 3,-0.9 2,-0.1 4,-0.2 -0.126 79.0-132.3 -46.6 138.7 6.9 43.0 8.1 35 38 A E G > S+ 0 0 150 1,-0.2 3,-1.0 2,-0.1 4,-0.4 0.698 104.0 70.4 -70.5 -17.7 6.6 39.2 7.7 36 39 A L G >> S+ 0 0 14 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.781 76.5 80.0 -67.3 -32.0 10.4 39.1 8.0 37 40 A A G <4 S+ 0 0 31 -3,-0.9 3,-0.3 -6,-0.5 -1,-0.2 0.714 85.3 62.1 -49.7 -25.5 10.2 40.0 11.7 38 41 A N G <4 S+ 0 0 128 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.881 99.5 49.8 -71.0 -42.1 9.4 36.3 12.4 39 42 A M T <4 S+ 0 0 93 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 0.550 95.3 108.5 -73.7 -4.7 12.7 34.9 11.1 40 43 A Q S < S- 0 0 25 -4,-0.6 27,-0.1 -3,-0.3 -3,-0.0 -0.540 80.4-109.4 -80.9 135.6 14.2 37.6 13.3 41 44 A V - 0 0 11 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.184 43.3-103.3 -56.0 150.7 16.0 36.7 16.5 42 45 A A >> - 0 0 26 1,-0.1 4,-2.4 -4,-0.0 3,-1.0 -0.520 29.7-106.2 -81.2 152.0 14.1 37.7 19.7 43 46 A P H 3> S+ 0 0 14 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.813 121.7 37.2 -40.8 -48.4 15.1 40.8 21.7 44 47 A E H 3> S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.674 109.8 62.5 -82.7 -19.0 16.6 38.8 24.6 45 48 A Q H <> S+ 0 0 18 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.901 109.1 43.0 -69.3 -40.5 17.9 36.1 22.2 46 49 A A H X S+ 0 0 2 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.858 111.6 52.6 -72.6 -38.3 20.1 38.9 20.8 47 50 A Q H X S+ 0 0 8 -4,-1.3 4,-1.5 -5,-0.3 -1,-0.2 0.824 108.8 51.8 -68.2 -28.8 20.9 40.3 24.2 48 51 A F H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.893 107.6 51.7 -71.1 -40.0 22.0 36.7 25.1 49 52 A M H X S+ 0 0 2 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.647 106.0 55.8 -70.0 -16.6 24.2 36.6 22.0 50 53 A Q H X S+ 0 0 19 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.854 105.6 50.3 -79.9 -40.7 25.7 39.9 23.1 51 54 A M H X S+ 0 0 1 -4,-1.5 4,-2.8 1,-0.2 3,-0.3 0.955 109.4 53.2 -58.7 -48.7 26.7 38.4 26.4 52 55 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.851 105.8 52.4 -54.9 -40.8 28.2 35.5 24.4 53 56 A I H X>S+ 0 0 2 -4,-1.2 5,-2.0 2,-0.2 4,-1.5 0.874 110.7 47.0 -65.6 -38.3 30.3 38.0 22.4 54 57 A R H <5S+ 0 0 49 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.942 114.0 47.5 -68.4 -46.7 31.7 39.6 25.5 55 58 A L H <5S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.775 113.8 48.2 -64.6 -27.3 32.4 36.1 27.0 56 59 A T H <5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.775 99.7-140.6 -80.7 -28.0 34.0 35.1 23.8 57 60 A R T <5 - 0 0 87 -4,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.896 37.8-170.2 63.3 40.2 36.0 38.4 23.8 58 61 A A < + 0 0 2 -5,-2.0 -1,-0.2 -6,-0.1 3,-0.1 -0.320 35.3 176.7 -68.6 143.5 35.2 38.2 20.1 59 62 A K S S+ 0 0 92 1,-0.3 25,-2.3 20,-0.1 2,-0.4 0.570 76.9 38.2-114.2 -29.6 36.8 40.6 17.5 60 63 A K E -a 84 0A 53 23,-0.2 75,-2.2 73,-0.1 76,-1.1 -0.991 67.8-177.4-132.8 127.3 35.2 39.0 14.5 61 64 A V E -ab 85 136A 0 23,-2.5 25,-2.8 -2,-0.4 2,-0.4 -0.922 6.4-164.0-124.8 148.5 31.6 37.6 14.2 62 65 A L E +ab 86 137A 1 74,-2.4 76,-2.5 -2,-0.3 2,-0.3 -0.990 9.1 175.3-133.5 139.7 29.7 35.9 11.4 63 66 A E E -ab 87 138A 0 23,-2.1 25,-1.4 -2,-0.4 2,-0.3 -0.969 9.1-163.2-141.0 156.1 26.0 35.3 11.0 64 67 A L E +ab 88 139A 1 74,-1.2 76,-1.4 -2,-0.3 2,-0.3 -0.984 37.2 80.0-138.1 148.6 23.8 33.9 8.2 65 68 A G E S-ab 89 140A 0 23,-1.4 25,-2.0 -2,-0.3 2,-0.8 -0.974 82.0 -54.5 151.6-169.2 20.1 34.1 7.6 66 69 A T S S- 0 0 22 74,-0.6 2,-0.2 -2,-0.3 23,-0.1 -0.927 71.4-173.6-111.3 101.7 17.2 36.1 6.2 67 70 A F - 0 0 6 -2,-0.8 -30,-0.1 1,-0.1 -27,-0.1 -0.628 50.2-162.6-108.6 160.4 17.7 39.4 8.1 68 71 A T - 0 0 12 -2,-0.2 -1,-0.1 -32,-0.1 28,-0.1 0.563 65.9-106.3-100.6 -21.9 16.2 42.8 8.9 69 72 A G S > S+ 0 0 4 28,-0.1 4,-1.1 29,-0.0 5,-0.1 0.469 91.1 116.0 105.6 7.6 19.6 43.7 10.2 70 73 A Y H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 75.8 44.4 -72.8 -50.2 18.6 43.7 13.8 71 74 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.809 111.8 55.3 -67.2 -28.0 20.9 40.8 15.0 72 75 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.856 110.3 45.7 -71.0 -35.4 23.8 42.3 13.1 73 76 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.960 111.8 49.3 -70.5 -54.1 23.4 45.6 14.9 74 77 A A H X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.882 110.1 54.3 -52.1 -43.0 23.0 44.1 18.3 75 78 A M H >< S+ 0 0 3 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.910 110.0 43.5 -61.0 -46.2 26.1 42.0 17.7 76 79 A S H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.788 105.9 63.6 -73.0 -24.4 28.4 45.0 16.7 77 80 A L H 3< S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.8 45.3 -66.1 -28.2 27.0 46.9 19.7 78 81 A A T << S+ 0 0 19 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.328 102.6 91.5 -95.4 5.1 28.5 44.3 22.0 79 82 A L S < S- 0 0 10 -3,-1.2 -20,-0.1 -5,-0.1 2,-0.1 -0.716 81.2-109.7-101.8 151.3 31.7 44.4 19.9 80 83 A P > - 0 0 39 0, 0.0 3,-3.0 0, 0.0 -2,-0.1 -0.394 38.8 -97.6 -76.9 157.2 34.8 46.6 20.6 81 84 A D T 3 S+ 0 0 147 1,-0.3 -2,-0.0 -2,-0.1 -5,-0.0 0.779 126.3 46.9 -39.0 -43.0 35.7 49.5 18.2 82 85 A D T 3 S+ 0 0 118 2,-0.0 -1,-0.3 28,-0.0 -23,-0.1 0.516 97.0 101.9 -81.6 -7.7 38.2 47.4 16.3 83 86 A G < - 0 0 5 -3,-3.0 2,-0.3 -7,-0.1 -23,-0.2 -0.097 55.1-155.8 -72.2 173.8 35.8 44.5 16.1 84 87 A Q E -a 60 0A 71 -25,-2.3 -23,-2.5 2,-0.0 2,-0.4 -0.994 10.4-156.7-156.3 143.7 33.7 43.5 13.0 85 88 A V E -ac 61 111A 0 25,-2.5 27,-3.0 -2,-0.3 2,-0.7 -0.989 6.5-158.2-126.0 126.8 30.5 41.6 12.1 86 89 A I E -ac 62 112A 9 -25,-2.8 -23,-2.1 -2,-0.4 2,-0.5 -0.904 12.2-167.6-106.2 105.8 29.9 40.0 8.8 87 90 A T E -ac 63 113A 1 25,-0.9 27,-2.5 -2,-0.7 2,-0.7 -0.811 5.6-156.6 -94.5 130.0 26.1 39.6 8.2 88 91 A C E -ac 64 114A 0 -25,-1.4 -23,-1.4 -2,-0.5 2,-0.8 -0.925 5.4-165.0-111.7 108.6 25.2 37.3 5.3 89 92 A D E +ac 65 115A 12 25,-1.4 27,-1.8 -2,-0.7 -23,-0.2 -0.837 15.8 173.0-101.0 107.3 21.7 38.1 4.0 90 93 A I + 0 0 22 -25,-2.0 -24,-0.2 -2,-0.8 -1,-0.2 0.612 41.5 122.3 -81.8 -17.5 20.4 35.3 1.7 91 94 A N + 0 0 37 -26,-0.6 25,-0.2 1,-0.2 -2,-0.1 -0.202 30.3 170.8 -50.7 127.4 17.0 36.9 1.5 92 95 A E + 0 0 174 2,-0.1 -1,-0.2 23,-0.1 3,-0.1 0.158 58.6 76.2-125.9 16.5 16.0 37.6 -2.1 93 96 A G S S- 0 0 48 1,-0.2 2,-0.2 0, 0.0 0, 0.0 -0.035 101.3 -27.9-100.3-150.9 12.4 38.6 -1.3 94 97 A W S S+ 0 0 238 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.431 70.1 149.1 -73.4 136.9 11.4 41.9 0.2 95 98 A T - 0 0 51 -2,-0.2 2,-0.3 -3,-0.1 -27,-0.1 -0.847 34.3-144.0-147.7-178.5 13.7 43.9 2.5 96 99 A K - 0 0 134 -2,-0.3 2,-0.1 -28,-0.1 -65,-0.0 -0.936 40.2-102.2-148.3 144.1 14.6 47.4 3.5 97 100 A H - 0 0 119 -2,-0.3 4,-0.2 1,-0.1 -28,-0.1 -0.463 17.6-152.7 -77.7 150.4 18.2 48.3 4.3 98 101 A A S >> S+ 0 0 8 1,-0.2 4,-2.2 -2,-0.1 3,-0.8 0.572 70.6 98.8 -95.4 -11.1 19.3 48.5 7.9 99 102 A H H 3> S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.780 74.3 62.5 -50.7 -32.7 22.2 51.0 7.3 100 103 A P H 3> S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.970 111.4 38.4 -58.4 -48.7 20.1 54.0 8.4 101 104 A Y H <> S+ 0 0 40 -3,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.885 112.4 57.6 -66.0 -40.8 19.8 52.5 11.9 102 105 A W H <>S+ 0 0 19 -4,-2.2 5,-3.1 2,-0.2 6,-0.6 0.910 110.2 44.6 -56.6 -42.4 23.3 51.2 11.8 103 106 A R H ><5S+ 0 0 143 -4,-2.7 3,-2.4 3,-0.2 -2,-0.2 0.945 108.8 55.5 -64.2 -52.2 24.6 54.8 11.2 104 107 A E H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 114.9 41.0 -49.7 -36.7 22.3 56.2 13.8 105 108 A A T 3<5S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.352 115.4-116.7 -95.8 4.5 23.9 53.7 16.3 106 109 A K T < 5S+ 0 0 154 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.901 84.6 107.0 62.8 46.4 27.5 54.2 14.9 107 110 A Q >>< + 0 0 16 -5,-3.1 3,-2.8 -8,-0.1 4,-1.8 0.551 36.4 98.1-127.7 -15.2 28.0 50.7 13.6 108 111 A E T 34 S+ 0 0 29 -6,-0.6 -5,-0.1 1,-0.3 -6,-0.1 0.695 86.7 56.3 -51.7 -18.3 27.8 50.8 9.8 109 112 A H T 34 S+ 0 0 143 -7,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.708 111.0 42.1 -87.5 -18.6 31.6 50.9 9.8 110 113 A K T <4 S+ 0 0 16 -3,-2.8 -25,-2.5 -26,-0.1 2,-0.6 0.661 101.3 82.1 -96.1 -22.5 31.8 47.6 11.9 111 114 A I E < -c 85 0A 13 -4,-1.8 2,-0.7 -27,-0.2 -25,-0.2 -0.765 58.0-169.5 -93.3 120.7 29.0 45.8 9.9 112 115 A K E -c 86 0A 106 -27,-3.0 -25,-0.9 -2,-0.6 2,-0.3 -0.872 11.5-154.4-111.7 99.4 29.9 44.2 6.6 113 116 A L E -c 87 0A 61 -2,-0.7 2,-0.5 -27,-0.2 -25,-0.2 -0.537 9.6-171.4 -77.0 133.4 26.9 43.1 4.7 114 117 A R E -c 88 0A 57 -27,-2.5 -25,-1.4 -2,-0.3 2,-0.2 -0.939 10.1-157.9-127.8 107.5 27.2 40.2 2.2 115 118 A L E +c 89 0A 110 -2,-0.5 -25,-0.2 -27,-0.2 -23,-0.1 -0.527 46.0 45.4 -85.8 151.2 24.2 39.6 -0.0 116 119 A G S S- 0 0 25 -27,-1.8 -25,-0.1 -25,-0.2 5,-0.1 -0.353 96.0 -12.4 110.7 168.7 23.4 36.3 -1.8 117 120 A P >> - 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