==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-02 1O9H . COMPND 2 MOLECULE: RRNA METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIRIDOCHROMOGENES; . AUTHOR T.G.MOSBACHER,G.E.SCHULZ . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 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 . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 3 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 104 0, 0.0 2,-0.3 0, 0.0 228,-0.1 0.000 360.0 360.0 360.0 169.9 3.5 -11.2 36.3 2 3 A A - 0 0 65 229,-0.0 2,-0.8 0, 0.0 5,-0.1 -0.966 360.0 -92.4-153.9 166.7 4.2 -12.5 39.8 3 4 A Y + 0 0 66 -2,-0.3 31,-0.0 1,-0.2 30,-0.0 -0.791 38.8 170.0 -87.6 111.5 4.8 -11.3 43.3 4 5 A R S S+ 0 0 134 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.726 83.7 12.5 -87.8 -29.2 8.6 -10.9 43.9 5 6 A H S S+ 0 0 59 1,-0.1 2,-1.5 2,-0.1 3,-0.4 0.723 123.9 56.7-119.6 -47.5 8.4 -9.2 47.2 6 7 A A S S+ 0 0 10 1,-0.2 3,-0.3 27,-0.2 -3,-0.1 -0.280 73.1 142.2 -78.0 49.9 4.8 -9.6 48.4 7 8 A V + 0 0 73 -2,-1.5 2,-0.5 1,-0.3 -1,-0.2 0.783 65.0 35.5 -71.1 -32.2 5.5 -13.3 48.0 8 9 A E S S- 0 0 159 -3,-0.4 -1,-0.3 0, 0.0 0, 0.0 -0.835 93.5-125.6-127.6 91.4 3.6 -14.5 51.0 9 10 A R - 0 0 198 -2,-0.5 2,-0.2 -3,-0.3 -2,-0.1 -0.027 36.3-161.3 -33.3 121.9 0.4 -12.4 51.6 10 11 A I - 0 0 123 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.560 33.9 -57.5-112.1 174.4 0.5 -11.1 55.2 11 12 A D + 0 0 105 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 -0.336 62.2 148.1 -55.0 100.5 -1.9 -9.6 57.8 12 13 A S + 0 0 39 -2,-0.6 -1,-0.2 2,-0.1 20,-0.1 0.026 39.6 103.2-121.4 20.2 -3.4 -6.6 56.1 13 14 A S S > S+ 0 0 67 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.786 79.7 55.6 -73.7 -27.7 -6.8 -6.7 57.8 14 15 A D T 3 S+ 0 0 6 1,-0.2 6,-0.4 5,-0.1 7,-0.4 0.746 107.7 49.6 -71.7 -27.3 -5.7 -3.9 60.0 15 16 A L T 3 S+ 0 0 4 5,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.327 83.3 127.0 -93.6 4.1 -5.0 -1.8 56.9 16 17 A A S X> S- 0 0 37 -3,-0.7 3,-1.7 1,-0.1 4,-0.8 -0.333 73.2 -94.8 -64.2 144.1 -8.4 -2.6 55.3 17 18 A C T 34 S+ 0 0 47 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.340 108.2 18.0 -60.2 136.7 -10.3 0.5 54.3 18 19 A G T 34 S+ 0 0 30 3,-1.7 -1,-0.2 -3,-0.1 4,-0.1 0.333 105.4 85.3 84.7 -5.3 -12.8 1.6 56.8 19 20 A V T <4 S- 0 0 42 -3,-1.7 -2,-0.1 2,-0.1 111,-0.1 0.935 123.3 -28.3 -89.4 -63.7 -11.3 -0.2 59.8 20 21 A V S < S+ 0 0 0 -4,-0.8 -5,-0.1 -6,-0.4 -3,-0.1 0.664 131.3 68.3-114.3 -51.9 -8.7 2.3 60.9 21 22 A L S S- 0 0 0 -5,-0.5 -3,-1.7 -7,-0.4 2,-0.3 -0.389 92.5-108.0 -66.3 147.5 -7.9 4.0 57.6 22 23 A H - 0 0 31 -5,-0.2 2,-0.2 69,-0.2 -1,-0.1 -0.632 32.7-168.1 -88.6 137.6 -10.7 6.2 56.2 23 24 A S - 0 0 69 -2,-0.3 3,-0.0 -6,-0.1 -1,-0.0 -0.641 3.8-167.4-108.9 169.9 -12.8 5.2 53.2 24 25 A A B > -A 27 0A 27 3,-0.6 3,-1.3 -2,-0.2 37,-0.1 -0.928 31.9-120.4-157.8 140.8 -15.2 7.3 51.1 25 26 A P T 3 S+ 0 0 149 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.707 110.1 54.3 -57.1 -23.1 -17.7 6.1 48.5 26 27 A G T 3 S+ 0 0 56 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.690 101.3 59.9 -83.3 -23.8 -16.0 8.2 45.8 27 28 A Y B < S-A 24 0A 84 -3,-1.3 -3,-0.6 34,-0.0 -1,-0.1 -0.926 78.8-132.0-114.5 128.6 -12.4 7.0 46.1 28 29 A P - 0 0 64 0, 0.0 33,-0.2 0, 0.0 2,-0.2 -0.362 19.4-117.9 -77.4 153.5 -11.3 3.4 45.5 29 30 A A - 0 0 51 -2,-0.1 -13,-0.0 34,-0.1 -6,-0.0 -0.503 24.0-130.1 -82.4 155.3 -9.1 1.4 47.9 30 31 A F - 0 0 12 -2,-0.2 2,-0.3 144,-0.0 -13,-0.1 -0.883 29.2-101.9-105.5 141.2 -5.8 0.1 46.6 31 32 A P > - 0 0 58 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.487 24.9-143.7 -61.4 124.9 -4.8 -3.5 47.2 32 33 A V H > S+ 0 0 19 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 0.928 98.8 51.0 -55.3 -46.9 -2.4 -3.7 50.1 33 34 A R H > S+ 0 0 61 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.833 109.1 49.3 -64.4 -38.1 -0.4 -6.4 48.4 34 35 A L H > S+ 0 0 4 2,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.834 109.9 53.1 -69.1 -31.7 -0.0 -4.6 45.1 35 36 A A H X S+ 0 0 1 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.951 108.3 46.8 -71.2 -49.6 1.2 -1.4 46.9 36 37 A T H X S+ 0 0 17 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.652 112.6 54.4 -65.1 -15.1 3.9 -3.1 48.9 37 38 A E H X S+ 0 0 0 -4,-0.6 4,-1.9 -5,-0.2 -2,-0.2 0.900 108.0 45.3 -85.2 -48.4 5.0 -4.8 45.7 38 39 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.845 115.2 51.0 -62.0 -32.1 5.4 -1.7 43.5 39 40 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.960 109.7 45.1 -76.6 -52.8 7.2 -0.0 46.4 40 41 A Q H X S+ 0 0 58 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.864 113.3 52.5 -58.9 -37.0 9.9 -2.7 47.1 41 42 A R H < S+ 0 0 9 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.813 108.4 51.3 -65.6 -33.8 10.5 -3.1 43.4 42 43 A A H >< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.3 4,-0.3 0.905 108.1 52.1 -67.6 -39.9 11.0 0.7 43.2 43 44 A L H >< S+ 0 0 46 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.872 101.3 61.3 -64.4 -35.0 13.5 0.4 46.1 44 45 A A T 3< S+ 0 0 74 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.466 100.3 55.5 -75.5 -1.3 15.4 -2.2 44.3 45 46 A R T < S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.398 83.0 103.8-107.4 -2.8 16.1 0.2 41.4 46 47 A L S < S- 0 0 21 -3,-1.6 161,-0.1 -4,-0.3 124,-0.0 -0.620 76.3-126.1 -80.9 143.4 17.7 2.9 43.6 47 48 A P S S+ 0 0 106 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.955 87.6 6.3 -51.1 -65.1 21.5 3.2 43.4 48 49 A G S S- 0 0 53 1,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.366 82.6-112.8-107.9-169.4 22.2 2.9 47.1 49 50 A D + 0 0 167 -2,-0.1 -1,-0.1 -5,-0.0 -5,-0.0 -0.632 51.2 89.8-125.4 178.4 19.9 2.2 50.1 50 51 A G S S- 0 0 40 -2,-0.2 27,-0.1 2,-0.0 2,-0.1 -0.662 78.2 -14.3 124.6 177.8 18.5 3.8 53.2 51 52 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 25,-0.3 -0.297 66.8-149.3 -57.0 130.8 15.5 5.9 54.2 52 53 A V E -b 76 0B 5 23,-2.7 25,-1.8 -2,-0.1 26,-1.0 -0.762 12.7-132.1-110.2 144.2 13.6 7.2 51.2 53 54 A T E -b 78 0B 8 -2,-0.3 116,-2.2 114,-0.2 117,-1.7 -0.889 31.7-160.9 -93.0 121.1 11.5 10.3 50.7 54 55 A L E -bc 79 170B 1 24,-2.1 26,-3.1 -2,-0.6 2,-0.4 -0.861 8.7-170.1-112.7 136.7 8.3 9.2 49.0 55 56 A W E -bc 80 171B 0 115,-1.9 117,-2.1 -2,-0.4 26,-0.2 -0.983 14.3-169.7-131.1 134.6 5.9 11.4 47.1 56 57 A D E > -b 81 0B 4 24,-2.5 26,-2.2 -2,-0.4 3,-0.6 -0.968 4.6-176.2-120.4 106.4 2.4 10.8 45.7 57 58 A P T 3 S+ 0 0 1 0, 0.0 96,-0.1 0, 0.0 27,-0.1 0.437 87.3 39.3 -85.4 -1.7 1.4 13.8 43.4 58 59 A C T 3 S+ 0 0 15 114,-0.2 116,-0.4 25,-0.1 25,-0.2 -0.481 76.2 161.0-133.5 65.2 -2.1 12.5 42.8 59 60 A C X - 0 0 7 23,-2.7 3,-2.7 -3,-0.6 6,-0.3 0.569 15.1-178.2 -72.5 -9.8 -2.7 11.3 46.4 60 61 A G T 3 S- 0 0 15 1,-0.3 32,-0.4 22,-0.2 -1,-0.2 -0.241 73.6 -7.1 51.2-124.2 -6.5 11.1 46.2 61 62 A S T 3 S- 0 0 12 -33,-0.2 -1,-0.3 30,-0.1 34,-0.2 0.363 94.3-117.2 -84.3 4.8 -7.8 10.1 49.6 62 63 A G S <> S+ 0 0 0 -3,-2.7 4,-2.8 33,-0.1 5,-0.3 0.458 80.6 123.0 74.2 0.9 -4.3 9.4 51.0 63 64 A Y H > S+ 0 0 10 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 73.1 45.1 -60.6 -47.9 -5.1 5.7 51.5 64 65 A L H > S+ 0 0 13 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.909 117.1 43.6 -64.1 -45.6 -2.2 4.4 49.3 65 66 A L H > S+ 0 0 2 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.919 115.2 48.8 -68.4 -40.6 0.4 6.7 50.7 66 67 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.943 108.1 54.6 -67.7 -43.5 -0.8 6.1 54.3 67 68 A V H X S+ 0 0 2 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.898 111.6 45.0 -53.2 -43.7 -0.8 2.4 53.9 68 69 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.887 108.9 56.4 -70.7 -38.2 2.8 2.5 52.7 69 70 A G H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 113.5 39.2 -59.2 -41.5 3.8 4.9 55.5 70 71 A L H < S+ 0 0 4 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.857 120.7 43.8 -77.7 -34.7 2.6 2.5 58.2 71 72 A L H < S+ 0 0 28 -4,-1.9 3,-0.2 -5,-0.3 -2,-0.2 0.873 125.9 29.5 -81.4 -41.6 3.8 -0.7 56.5 72 73 A H S >< S+ 0 0 20 -4,-2.8 3,-1.3 -5,-0.2 4,-0.3 -0.125 74.4 137.1-110.6 33.9 7.2 0.5 55.4 73 74 A R G > S+ 0 0 29 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.827 70.4 58.0 -48.9 -39.7 7.9 3.0 58.2 74 75 A R G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.800 105.7 47.9 -67.7 -31.3 11.5 1.8 58.5 75 76 A S G < S+ 0 0 30 -3,-1.3 -23,-2.7 -24,-0.1 2,-0.5 0.290 100.8 89.1 -87.7 10.3 12.4 2.5 54.9 76 77 A L E < +b 52 0B 3 -3,-1.5 -23,-0.2 -25,-0.3 3,-0.1 -0.939 40.1 173.2-122.8 123.5 10.8 6.0 55.1 77 78 A R E S- 0 0 143 -25,-1.8 2,-0.3 -2,-0.5 -24,-0.2 0.829 78.9 -30.2 -83.5 -44.8 12.4 9.3 56.1 78 79 A Q E -b 53 0B 41 -26,-1.0 -24,-2.1 66,-0.1 2,-0.4 -0.974 55.6-128.6-168.0 161.9 9.3 11.2 55.1 79 80 A V E -bd 54 146B 0 66,-2.4 68,-1.8 -2,-0.3 2,-0.4 -0.952 9.6-156.7-124.0 142.2 6.2 11.3 52.8 80 81 A I E -bd 55 147B 3 -26,-3.1 -24,-2.5 -2,-0.4 2,-0.4 -0.942 9.8-169.6-114.1 129.7 4.8 14.0 50.5 81 82 A A E +bd 56 148B 0 66,-3.0 68,-1.8 -2,-0.4 2,-0.3 -0.956 15.0 157.0-118.2 139.8 1.1 14.1 49.5 82 83 A S E + d 0 149B 2 -26,-2.2 -23,-2.7 -2,-0.4 2,-0.3 -0.993 8.1 160.9-157.5 153.3 -0.3 16.3 46.8 83 84 A D E - d 0 150B 20 66,-1.0 68,-2.1 -2,-0.3 -25,-0.1 -0.960 39.1-121.5-161.6 167.5 -3.2 16.6 44.4 84 85 A V S S+ 0 0 62 -2,-0.3 68,-0.1 66,-0.2 -1,-0.1 0.865 91.2 70.7 -84.5 -42.7 -5.1 19.2 42.4 85 86 A D > - 0 0 95 1,-0.1 4,-0.5 66,-0.1 66,-0.1 -0.547 66.3-153.2 -74.3 140.5 -8.6 18.9 43.8 86 87 A P H > S+ 0 0 83 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.522 85.2 80.3 -81.6 -9.3 -9.0 20.1 47.4 87 88 A A H >> S+ 0 0 51 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.967 95.4 34.9 -62.8 -59.1 -11.9 17.6 47.6 88 89 A P H >> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 3,-1.7 0.877 107.3 71.2 -68.8 -31.9 -10.0 14.3 48.3 89 90 A L H 3X S+ 0 0 17 -4,-0.5 4,-1.7 1,-0.3 -2,-0.2 0.716 87.2 62.4 -58.3 -26.5 -7.3 16.2 50.4 90 91 A E H < S+ 0 0 0 -4,-1.3 3,-1.5 -34,-0.2 -2,-0.2 0.906 109.4 50.0 -79.4 -44.8 -5.5 9.5 56.8 96 97 A L H >< S+ 0 0 9 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.737 96.8 70.5 -64.7 -24.5 -2.1 11.1 57.1 97 98 A A G >< S+ 0 0 46 -4,-1.1 3,-0.9 1,-0.3 6,-0.4 0.670 87.4 67.3 -63.7 -18.6 -2.8 12.0 60.7 98 99 A L G < S+ 0 0 4 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.528 77.1 82.6 -81.9 -4.7 -2.5 8.2 61.3 99 100 A L G < S+ 0 0 3 -3,-1.8 45,-2.7 -4,-0.1 -1,-0.2 0.354 87.7 65.5 -79.4 8.6 1.2 8.5 60.5 100 101 A S S X> S- 0 0 40 -3,-0.9 4,-1.9 43,-0.2 3,-1.0 -0.991 88.5-123.4-125.4 144.6 1.7 9.6 64.1 101 102 A P H 3> S+ 0 0 35 0, 0.0 4,-0.8 0, 0.0 33,-0.1 0.774 112.6 54.8 -46.4 -33.9 1.1 7.6 67.4 102 103 A A H 3> S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.789 104.3 51.6 -75.8 -35.1 -1.3 10.3 68.6 103 104 A G H <> S+ 0 0 15 -3,-1.0 4,-1.8 -6,-0.4 -5,-0.2 0.887 110.5 49.9 -64.0 -40.2 -3.5 10.2 65.5 104 105 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -7,-0.2 -2,-0.2 0.758 107.8 54.9 -68.8 -22.5 -3.7 6.4 66.0 105 106 A T H X S+ 0 0 60 -4,-0.8 4,-2.4 -5,-0.2 -1,-0.2 0.889 107.4 47.5 -78.7 -39.6 -4.7 7.0 69.6 106 107 A A H X S+ 0 0 61 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.844 113.3 49.0 -68.1 -37.9 -7.6 9.3 68.7 107 108 A R H X S+ 0 0 20 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.917 112.0 49.9 -63.5 -45.0 -8.8 6.7 66.1 108 109 A E H X S+ 0 0 24 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.913 112.5 45.7 -59.1 -45.5 -8.5 4.0 68.7 109 110 A L H X S+ 0 0 96 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.789 108.2 57.2 -73.6 -29.3 -10.4 6.0 71.3 110 111 A E H X S+ 0 0 73 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.880 107.2 48.7 -64.3 -40.7 -13.1 6.9 68.7 111 112 A R H X S+ 0 0 27 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.794 107.8 55.1 -69.0 -31.8 -13.7 3.1 68.0 112 113 A R H X S+ 0 0 84 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.784 107.7 48.8 -73.5 -28.9 -13.9 2.4 71.8 113 114 A E H X S+ 0 0 114 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.854 111.8 48.4 -75.5 -38.9 -16.7 5.0 72.2 114 115 A Q H X S+ 0 0 46 -4,-1.6 4,-2.4 2,-0.2 6,-0.4 0.842 109.2 54.5 -67.6 -36.3 -18.6 3.6 69.2 115 116 A S H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.868 111.4 44.4 -61.5 -41.5 -18.2 0.1 70.7 116 117 A E H < S+ 0 0 156 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.950 116.7 45.5 -69.6 -50.1 -19.7 1.3 74.0 117 118 A R H < S+ 0 0 203 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.872 131.8 18.7 -55.7 -43.4 -22.5 3.2 72.3 118 119 A F H < S- 0 0 112 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.603 83.3-141.4-113.8 -18.4 -23.4 0.4 69.8 119 120 A G < + 0 0 56 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.527 44.2 153.6 66.6 7.6 -21.9 -2.8 71.2 120 121 A K >> - 0 0 114 -6,-0.4 3,-0.9 1,-0.1 4,-0.5 -0.491 44.5-141.0 -70.3 130.0 -21.0 -4.0 67.7 121 122 A P H >> S+ 0 0 97 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.789 95.8 68.8 -63.2 -26.4 -18.0 -6.4 68.0 122 123 A S H 3> S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.769 90.3 62.9 -64.1 -29.4 -16.4 -5.0 64.8 123 124 A Y H <> S+ 0 0 46 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.830 104.0 46.9 -62.8 -35.1 -15.7 -1.7 66.6 124 125 A L H S+ 0 0 2 -4,-2.5 5,-2.8 1,-0.2 3,-0.4 0.931 111.8 47.2 -57.9 -47.5 4.7 2.6 64.1 138 139 A T H ><5S+ 0 0 78 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.862 111.1 49.5 -63.3 -41.6 6.5 3.4 67.4 139 140 A A H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 111.5 50.5 -72.3 -21.4 8.9 0.5 67.2 140 141 A E T 3<5S- 0 0 30 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.392 142.1 -58.0-100.3 0.5 9.9 1.3 63.6 141 142 A G T < 5 - 0 0 51 -3,-0.8 -3,-0.2 -4,-0.4 2,-0.1 0.239 68.6-119.0 149.3 -17.2 10.6 5.0 64.3 142 143 A G S > - 0 0 73 -3,-0.3 3,-1.2 1,-0.1 4,-0.9 -0.848 64.1-174.1-103.4 92.8 2.1 22.7 36.1 156 157 A P H 3> S+ 0 0 59 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.648 79.8 66.8 -64.1 -15.3 5.8 22.1 36.8 157 158 A R H 3> S+ 0 0 213 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.828 100.5 49.9 -69.0 -36.1 6.0 25.6 38.3 158 159 A A H X> S+ 0 0 24 -3,-1.2 4,-1.2 -6,-0.2 3,-0.6 0.777 97.5 70.4 -69.3 -30.2 3.7 24.5 41.1 159 160 A L H 3X S+ 0 0 2 -4,-0.9 4,-1.9 1,-0.2 5,-0.2 0.859 89.4 59.3 -59.7 -41.2 5.8 21.4 41.8 160 161 A S H 3X>S+ 0 0 81 -4,-0.8 4,-1.2 -3,-0.2 5,-0.5 0.887 104.7 53.6 -52.1 -40.6 8.8 23.3 43.3 161 162 A A H <<5S+ 0 0 60 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.880 105.6 50.9 -63.5 -44.5 6.3 24.6 45.9 162 163 A V H <5S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.946 107.2 52.0 -59.5 -52.7 5.1 21.2 47.0 163 164 A L H ><5S- 0 0 10 -4,-1.9 3,-2.3 2,-0.1 -1,-0.2 0.789 85.2-163.4 -60.5 -29.5 8.5 19.7 47.6 164 165 A A T 3<5S- 0 0 58 -4,-1.2 -3,-0.1 1,-0.3 3,-0.1 0.898 75.3 -38.2 47.0 50.1 9.4 22.7 49.8 165 166 A G T 3 - 0 0 42 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.282 11.7-128.7 -70.3 154.4 -6.9 9.3 38.6 177 178 A Y T 3 S+ 0 0 46 1,-0.3 3,-0.3 2,-0.2 8,-0.1 0.698 105.5 63.4 -77.6 -23.3 -10.2 8.3 37.1 178 179 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 9,-0.0 5,-0.0 0.727 100.3 53.2 -72.0 -24.7 -11.0 11.8 35.8 179 180 A E S < S+ 0 0 88 -3,-0.7 -1,-0.2 4,-0.0 -2,-0.2 0.625 89.3 102.3 -83.2 -15.6 -7.9 11.7 33.6 180 181 A R S S- 0 0 14 -4,-0.4 7,-0.3 -3,-0.3 4,-0.1 -0.354 87.0-115.6 -69.1 150.0 -9.1 8.4 32.1 181 182 A T S S- 0 0 91 5,-2.0 2,-0.3 2,-0.1 -1,-0.1 0.856 96.5 -13.0 -58.8 -41.5 -10.7 8.6 28.6 182 183 A H S > S- 0 0 97 4,-0.1 3,-0.6 -5,-0.0 -2,-0.0 -0.791 83.4 -94.2-137.1-174.9 -14.0 7.4 30.1 183 184 A W T 3 S+ 0 0 177 -2,-0.3 2,-0.4 1,-0.2 -2,-0.1 0.821 122.5 52.8 -69.1 -29.4 -14.8 5.9 33.6 184 185 A E T 3 S+ 0 0 157 2,-0.1 -1,-0.2 -4,-0.1 2,-0.1 -0.403 111.2 37.2-109.3 52.6 -14.4 2.4 32.0 185 186 A G S < S- 0 0 28 -3,-0.6 2,-0.3 -2,-0.4 29,-0.2 -0.325 86.4 -77.2-156.8-120.0 -11.0 2.6 30.4 186 187 A Q - 0 0 65 -2,-0.1 -5,-2.0 28,-0.1 -4,-0.1 -0.990 40.0 -85.0-163.0 160.6 -7.6 4.2 31.1 187 188 A V - 0 0 3 -2,-0.3 -7,-0.2 -7,-0.3 28,-0.1 -0.627 53.8-127.6 -73.4 120.5 -5.5 7.4 31.1 188 189 A P > - 0 0 52 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 -0.133 17.3-105.9 -70.0 171.3 -4.1 7.8 27.5 189 190 A A H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.638 108.1 67.7 -78.0 -23.7 -0.4 8.4 26.5 190 191 A Q H > S+ 0 0 185 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.950 110.1 38.1 -61.9 -50.5 -0.5 12.1 25.6 191 192 A P H > S+ 0 0 36 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.733 112.0 60.6 -67.4 -25.6 -1.1 13.0 29.3 192 193 A V H X S+ 0 0 1 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.911 109.3 40.4 -69.1 -42.9 1.2 10.2 30.6 193 194 A A H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.792 114.2 52.1 -78.3 -31.2 4.2 11.6 28.9 194 195 A G H X S+ 0 0 27 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.777 110.3 52.5 -68.9 -27.1 3.3 15.2 29.8 195 196 A L H X S+ 0 0 5 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.937 110.8 43.5 -74.0 -50.0 3.0 13.9 33.4 196 197 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.949 112.4 53.5 -59.4 -51.6 6.4 12.3 33.5 197 198 A R H X S+ 0 0 97 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.859 110.9 47.0 -51.8 -42.0 8.1 15.3 31.8 198 199 A S H < S+ 0 0 7 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.921 115.7 44.6 -67.2 -45.3 6.6 17.6 34.4 199 200 A L H >X S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.2 4,-0.9 0.967 110.6 50.5 -64.6 -58.6 7.6 15.4 37.4 200 201 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.722 99.0 68.0 -56.3 -26.4 11.2 14.6 36.4 201 202 A S T 3< S+ 0 0 68 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.732 111.2 34.6 -61.5 -23.6 11.8 18.3 35.8 202 203 A A T <4 S+ 0 0 33 -3,-2.6 -2,-0.2 -4,-0.4 -1,-0.2 0.569 106.7 84.1-105.7 -16.3 11.4 18.6 39.6 203 204 A L S < S- 0 0 17 -4,-0.9 2,-0.1 1,-0.1 -34,-0.1 -0.426 84.0-101.3 -88.6 161.9 13.0 15.3 40.8 204 205 A P > - 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