==== 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 1O9G . 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) . 11587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 65.9 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.5 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 1 1 0 0 1 0 0 1 1 1 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 93 0, 0.0 2,-0.3 0, 0.0 228,-0.1 0.000 360.0 360.0 360.0 157.9 3.3 -11.1 36.3 2 3 A A - 0 0 75 229,-0.1 2,-0.5 0, 0.0 5,-0.1 -0.858 360.0 -99.1-114.0 149.3 4.1 -12.8 39.6 3 4 A Y + 0 0 59 -2,-0.3 31,-0.0 1,-0.2 30,-0.0 -0.595 38.1 178.1 -65.2 117.4 4.7 -11.2 43.0 4 5 A R S S+ 0 0 132 -2,-0.5 3,-0.2 33,-0.1 -1,-0.2 0.722 81.1 16.1 -89.4 -30.0 8.4 -10.9 43.4 5 6 A H S S+ 0 0 64 1,-0.2 2,-1.5 2,-0.1 3,-0.3 0.769 123.0 54.3-116.2 -48.7 8.4 -9.3 46.9 6 7 A A S S+ 0 0 7 1,-0.2 -1,-0.2 27,-0.1 -3,-0.1 -0.537 71.8 149.9 -86.0 64.5 4.9 -9.8 48.3 7 8 A V + 0 0 80 -2,-1.5 2,-0.5 -3,-0.2 -1,-0.2 0.850 57.4 47.1 -76.1 -40.3 5.4 -13.5 47.7 8 9 A E S S- 0 0 163 -3,-0.3 2,-0.4 1,-0.0 -1,-0.1 -0.905 97.1-109.7-104.5 133.1 3.3 -14.9 50.5 9 10 A R - 0 0 214 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 -0.472 45.4-146.8 -64.6 118.2 -0.2 -13.4 51.0 10 11 A X - 0 0 67 -2,-0.4 2,-1.1 1,-0.1 23,-0.1 -0.136 21.8-101.8 -84.0 172.4 0.1 -11.4 54.2 11 12 A D + 0 0 128 1,-0.1 3,-0.3 2,-0.0 -1,-0.1 -0.807 53.5 156.9 -89.7 88.9 -2.3 -10.5 57.0 12 13 A S > + 0 0 41 -2,-1.1 3,-1.0 1,-0.2 4,-0.2 0.081 31.1 116.5-100.6 23.2 -3.0 -7.0 55.8 13 14 A S G > + 0 0 65 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.835 66.7 59.5 -67.4 -34.1 -6.3 -6.8 57.7 14 15 A D G 3 S+ 0 0 8 -3,-0.3 6,-0.4 1,-0.3 7,-0.3 0.781 107.0 48.7 -66.8 -25.3 -5.3 -3.9 60.0 15 16 A L G < S+ 0 0 10 -3,-1.0 -1,-0.3 5,-0.1 -2,-0.2 0.334 82.6 132.5 -93.3 5.4 -4.7 -1.7 57.0 16 17 A A X> - 0 0 35 -3,-1.5 3,-1.6 -4,-0.2 4,-0.6 -0.241 68.6-100.0 -61.2 142.0 -8.0 -2.5 55.3 17 18 A C T 34 S+ 0 0 42 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.405 106.6 21.3 -66.6 131.4 -9.9 0.4 54.1 18 19 A G T 34 S+ 0 0 29 3,-2.0 -1,-0.2 -2,-0.1 4,-0.2 0.485 107.4 80.0 91.0 3.3 -12.7 1.5 56.5 19 20 A V T <4 S- 0 0 43 -3,-1.6 -2,-0.1 2,-0.3 -4,-0.1 0.774 124.6 -25.9 -99.1 -75.0 -11.2 -0.2 59.6 20 21 A V S < S+ 0 0 0 -4,-0.6 -5,-0.1 -6,-0.4 -3,-0.1 0.819 132.2 65.5-100.6 -58.0 -8.5 2.3 60.8 21 22 A L S S- 0 0 0 -5,-0.4 -3,-2.0 -7,-0.3 -2,-0.3 -0.328 96.1-102.5 -63.1 151.9 -7.7 4.0 57.5 22 23 A H - 0 0 18 -5,-0.2 2,-0.2 69,-0.2 -1,-0.1 -0.647 28.9-153.5 -96.1 134.6 -10.6 6.0 56.0 23 24 A S - 0 0 75 -2,-0.3 3,-0.1 -6,-0.1 6,-0.0 -0.633 6.0-164.3 -97.7 159.1 -12.8 5.0 53.2 24 25 A A B > -A 27 0A 26 3,-0.5 3,-0.6 -2,-0.2 37,-0.1 -0.992 24.3-135.8-140.6 145.7 -14.7 7.3 50.7 25 26 A P T 3 S+ 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.858 106.3 46.7 -68.3 -32.5 -17.6 6.5 48.3 26 27 A G T 3 S+ 0 0 53 -3,-0.1 -3,-0.0 2,-0.1 35,-0.0 0.441 108.2 58.9 -91.3 -2.2 -16.0 8.5 45.5 27 28 A Y B < S-A 24 0A 81 -3,-0.6 -3,-0.5 33,-0.0 2,-0.1 -0.982 76.9-125.1-133.1 140.4 -12.5 7.0 45.7 28 29 A P - 0 0 47 0, 0.0 33,-0.2 0, 0.0 35,-0.2 -0.396 15.1-130.2 -80.5 155.7 -11.2 3.5 45.5 29 30 A A - 0 0 41 -2,-0.1 -13,-0.0 34,-0.1 35,-0.0 -0.244 26.0-132.4 -76.6-177.4 -9.1 1.7 48.0 30 31 A F - 0 0 8 -2,-0.1 2,-0.2 33,-0.0 -13,-0.1 -0.988 26.4 -98.4-135.9 141.3 -6.0 0.1 46.5 31 32 A P > - 0 0 56 0, 0.0 4,-2.3 0, 0.0 3,-0.1 -0.429 26.6-143.2 -63.5 127.2 -5.0 -3.6 47.3 32 33 A V H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.893 97.8 54.5 -57.0 -43.8 -2.4 -3.6 50.0 33 34 A R H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.1 44.2 -61.2 -41.6 -0.5 -6.5 48.5 34 35 A L H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 110.8 56.1 -69.6 -38.3 -0.2 -4.8 45.1 35 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.951 110.7 42.9 -57.8 -47.6 0.8 -1.5 46.8 36 37 A T H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.872 112.5 54.6 -71.5 -32.3 3.7 -3.1 48.6 37 38 A E H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.944 111.7 43.2 -62.8 -48.7 4.8 -5.1 45.5 38 39 A I H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 114.6 49.9 -64.9 -46.7 5.0 -1.9 43.4 39 40 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.5 48.2 -60.1 -44.3 6.7 0.1 46.1 40 41 A Q H X S+ 0 0 55 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.878 109.3 53.6 -66.6 -34.8 9.3 -2.7 46.7 41 42 A R H X S+ 0 0 8 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.885 109.6 48.8 -63.5 -39.9 10.0 -2.9 42.9 42 43 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.930 108.3 52.4 -65.3 -46.2 10.6 0.8 42.9 43 44 A L H >< S+ 0 0 42 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.872 103.4 59.7 -57.0 -35.5 13.0 0.6 45.8 44 45 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.680 102.6 53.5 -68.7 -17.7 14.9 -2.1 44.0 45 46 A R T << S+ 0 0 97 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.397 86.9 100.5 -97.4 1.1 15.6 0.3 41.1 46 47 A L S < S- 0 0 21 -3,-1.3 161,-0.1 -4,-0.4 124,-0.0 -0.587 80.4-121.6 -81.4 151.0 17.1 3.1 43.3 47 48 A P S S+ 0 0 109 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.868 89.8 8.4 -56.5 -40.5 20.9 3.4 43.4 48 49 A G - 0 0 49 2,-0.1 -2,-0.1 -5,-0.0 -3,-0.0 -0.767 68.4-119.0-135.9 177.9 21.0 2.9 47.2 49 50 A D + 0 0 162 -2,-0.2 3,-0.1 -5,-0.0 -6,-0.0 0.104 60.4 129.8-116.0 28.0 18.9 1.9 50.2 50 51 A G S S- 0 0 46 1,-0.2 27,-0.1 27,-0.0 -2,-0.1 -0.141 77.0 -55.0 -64.9 172.5 19.0 5.0 52.4 51 52 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.278 64.5-136.6 -55.3 134.2 15.8 6.5 53.8 52 53 A V E -b 76 0B 4 23,-2.4 25,-2.9 -3,-0.1 26,-1.1 -0.699 8.1-145.3-100.5 141.6 13.3 7.3 51.0 53 54 A T E -b 78 0B 6 -2,-0.3 116,-2.0 114,-0.3 117,-1.8 -0.922 24.4-162.4 -97.8 121.4 11.2 10.3 50.4 54 55 A L E -bc 79 170B 0 24,-2.0 26,-2.3 -2,-0.6 2,-0.4 -0.930 6.2-168.5-112.3 131.5 7.9 9.1 48.7 55 56 A W E -bc 80 171B 0 115,-2.4 117,-1.8 -2,-0.4 26,-0.2 -0.973 14.0-169.7-123.0 132.5 5.5 11.4 46.9 56 57 A D E > +b 81 0B 2 24,-2.6 26,-2.4 -2,-0.4 3,-0.6 -0.943 7.8 180.0-116.1 100.3 2.0 10.7 45.7 57 58 A P T 3 S+ 0 0 1 0, 0.0 96,-0.3 0, 0.0 94,-0.1 0.365 83.8 42.2 -84.3 1.5 1.0 13.7 43.5 58 59 A C T 3 S+ 0 0 8 114,-0.2 116,-0.4 25,-0.1 25,-0.2 -0.475 76.6 159.2-134.3 61.3 -2.4 12.4 42.7 59 60 A C X + 0 0 8 23,-2.5 3,-2.6 -3,-0.6 5,-0.3 0.647 13.4 178.5 -73.2 -17.8 -3.2 11.2 46.2 60 61 A G T 3 S- 0 0 9 1,-0.3 32,-0.3 22,-0.2 -1,-0.2 -0.314 76.5 -4.6 55.6-129.2 -7.0 11.1 46.1 61 62 A S T 3 S- 0 0 10 -33,-0.2 34,-0.3 30,-0.1 -1,-0.3 0.489 93.5-124.0 -71.0 -9.3 -8.2 9.8 49.4 62 63 A G S <> S+ 0 0 1 -3,-2.6 4,-2.2 -4,-0.1 5,-0.2 0.492 76.9 123.3 77.2 3.6 -4.6 9.3 50.6 63 64 A Y H > S+ 0 0 8 -4,-0.2 4,-2.7 -35,-0.2 5,-0.2 0.920 71.9 49.7 -62.2 -47.8 -5.3 5.7 51.4 64 65 A L H > S+ 0 0 12 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.944 113.2 44.2 -58.3 -50.5 -2.6 4.4 49.2 65 66 A L H > S+ 0 0 1 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.881 113.8 51.1 -64.3 -35.6 0.1 6.7 50.5 66 67 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.906 107.1 52.9 -72.6 -40.2 -0.9 6.0 54.1 67 68 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.943 114.5 43.6 -53.6 -49.3 -0.8 2.2 53.6 68 69 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.906 110.1 55.4 -67.0 -40.5 2.7 2.6 52.3 69 70 A G H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 117.7 34.3 -58.2 -43.4 3.7 5.1 55.0 70 71 A L H >< S+ 0 0 12 -4,-2.4 3,-1.2 2,-0.2 4,-0.2 0.945 121.0 46.1 -76.7 -50.6 2.7 2.6 57.8 71 72 A L H 3< S+ 0 0 59 -4,-2.8 3,-0.3 -5,-0.3 -3,-0.2 0.893 125.5 31.4 -63.7 -37.7 3.6 -0.6 56.1 72 73 A H T >< S+ 0 0 18 -4,-2.7 3,-1.9 -5,-0.3 4,-0.4 -0.018 76.8 130.2-112.6 26.8 7.0 0.7 55.0 73 74 A R G X + 0 0 25 -3,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.848 69.7 58.9 -48.4 -43.0 7.8 3.1 57.8 74 75 A R G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.734 107.9 46.4 -63.0 -26.2 11.3 1.7 58.3 75 76 A S G < S+ 0 0 37 -3,-1.9 -23,-2.4 -24,-0.1 2,-0.4 0.397 101.1 88.1 -93.0 1.5 12.2 2.5 54.7 76 77 A L E < -b 52 0B 6 -3,-1.6 -23,-0.2 -4,-0.4 3,-0.1 -0.864 42.8-179.2-118.5 136.6 10.8 6.0 54.7 77 78 A R E S- 0 0 143 -25,-2.9 2,-0.3 1,-0.4 -24,-0.2 0.766 78.6 -31.1 -85.2 -44.1 12.2 9.5 55.6 78 79 A Q E -b 53 0B 37 -26,-1.1 -24,-2.0 66,-0.1 -1,-0.4 -0.955 54.9-130.0-170.5 158.1 9.0 11.3 54.8 79 80 A V E -bd 54 146B 0 66,-2.2 68,-1.2 -2,-0.3 2,-0.4 -0.938 12.6-158.8-124.3 151.4 5.9 11.3 52.6 80 81 A I E -bd 55 147B 3 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.4 -0.998 7.1-169.2-129.6 131.5 4.4 14.0 50.5 81 82 A A E +bd 56 148B 0 66,-2.8 68,-1.7 -2,-0.4 2,-0.3 -0.952 13.2 159.0-120.1 139.3 0.8 14.1 49.2 82 83 A S E + d 0 149B 0 -26,-2.4 -23,-2.5 -2,-0.4 2,-0.3 -0.989 4.2 162.5-152.6 157.6 -0.7 16.4 46.7 83 84 A D E - d 0 150B 15 66,-0.9 68,-2.0 -2,-0.3 -25,-0.1 -0.957 40.9-111.7-164.4 168.8 -3.8 16.6 44.4 84 85 A V S S+ 0 0 55 -2,-0.3 68,-0.1 66,-0.2 66,-0.1 0.758 87.9 57.3 -85.5 -29.3 -5.7 19.1 42.4 85 86 A D > - 0 0 92 66,-0.1 4,-1.0 1,-0.1 66,-0.1 -0.826 69.1-134.7-113.7 148.5 -9.1 19.3 44.1 86 87 A P H > S+ 0 0 94 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.803 94.6 70.0 -66.0 -30.5 -10.1 20.1 47.8 87 88 A A H >> S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.955 102.9 38.0 -57.7 -59.6 -12.7 17.2 48.1 88 89 A P H >> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.891 110.5 65.3 -57.8 -36.5 -10.3 14.3 48.1 89 90 A L H 3X S+ 0 0 16 -4,-1.0 4,-2.3 1,-0.3 -2,-0.2 0.762 91.6 58.6 -67.0 -29.4 -7.8 16.3 50.2 90 91 A E H < S+ 0 0 0 -4,-2.1 3,-1.7 -34,-0.3 -2,-0.2 0.943 110.2 50.8 -67.9 -44.9 -5.5 9.4 56.5 96 97 A L H >< S+ 0 0 6 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.785 97.0 68.9 -64.2 -26.9 -2.2 11.2 56.8 97 98 A A H >< S+ 0 0 50 -4,-1.6 3,-1.1 1,-0.3 6,-0.4 0.778 89.1 67.2 -57.5 -27.4 -3.0 12.1 60.4 98 99 A L T << S+ 0 0 3 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.486 77.3 83.2 -73.1 -3.0 -2.6 8.3 61.1 99 100 A L T < S+ 0 0 2 -3,-1.9 45,-2.6 -4,-0.1 -1,-0.2 0.359 86.6 63.3 -84.7 5.1 1.1 8.6 60.3 100 101 A S S <> S- 0 0 37 -3,-1.1 4,-2.0 43,-0.2 5,-0.2 -0.947 87.4-122.5-121.0 151.5 1.7 9.7 63.9 101 102 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.912 114.3 56.0 -52.7 -38.1 1.2 7.8 67.1 102 103 A A H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.881 106.6 49.5 -64.2 -39.9 -1.1 10.7 68.3 103 104 A G H > S+ 0 0 14 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.889 111.7 47.7 -65.1 -38.7 -3.3 10.3 65.2 104 105 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.888 110.3 52.7 -69.5 -36.7 -3.6 6.6 65.7 105 106 A T H X S+ 0 0 69 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.909 109.5 49.7 -63.2 -42.3 -4.5 7.1 69.4 106 107 A A H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 112.6 46.6 -63.8 -42.7 -7.2 9.6 68.3 107 108 A R H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.896 111.1 51.5 -65.9 -42.0 -8.6 7.1 65.8 108 109 A E H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.911 110.5 49.4 -59.5 -43.6 -8.5 4.2 68.4 109 110 A L H X S+ 0 0 97 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 108.7 52.5 -64.7 -43.5 -10.4 6.4 70.9 110 111 A E H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.921 111.0 47.3 -56.0 -47.0 -13.0 7.3 68.3 111 112 A R H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.882 111.2 50.9 -63.7 -42.1 -13.6 3.6 67.6 112 113 A R H X S+ 0 0 96 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.901 110.0 50.0 -62.8 -39.5 -13.8 2.8 71.3 113 114 A E H X S+ 0 0 121 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 109.8 50.9 -64.6 -41.5 -16.3 5.5 71.8 114 115 A Q H X>S+ 0 0 44 -4,-2.2 4,-3.1 1,-0.2 5,-0.5 0.871 107.8 54.5 -63.4 -38.2 -18.3 4.1 68.8 115 116 A S H X5S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 109.3 46.8 -56.3 -50.0 -18.2 0.7 70.5 116 117 A E H <5S+ 0 0 162 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 118.2 41.9 -64.4 -37.1 -19.6 2.0 73.6 117 118 A R H <5S+ 0 0 199 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.941 131.0 19.8 -75.8 -47.2 -22.3 3.8 71.8 118 119 A F H <5S- 0 0 101 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.701 82.5-142.8-101.5 -29.0 -23.4 1.2 69.2 119 120 A G << + 0 0 55 -4,-2.2 -4,-0.1 -5,-0.5 -3,-0.1 0.489 44.4 148.7 79.7 4.2 -22.1 -2.1 70.5 120 121 A K >> - 0 0 118 -6,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.544 49.4-135.4 -74.5 132.7 -21.1 -3.5 67.1 121 122 A P H >> S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.838 98.5 69.1 -54.2 -35.0 -18.1 -5.9 67.4 122 123 A S H 3> S+ 0 0 38 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.768 90.5 60.7 -59.2 -28.3 -16.4 -4.3 64.3 123 124 A Y H <> S+ 0 0 48 -3,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.881 108.1 44.1 -68.2 -37.5 -15.7 -1.1 66.2 124 125 A L H S+ 0 0 4 -4,-2.6 5,-2.7 1,-0.2 4,-0.4 0.918 110.4 49.1 -61.1 -46.1 4.7 2.7 64.0 138 139 A T H ><5S+ 0 0 80 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.910 115.9 42.7 -59.3 -46.0 6.4 3.6 67.3 139 140 A A H 3<5S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.768 111.6 54.8 -73.7 -25.1 8.9 0.7 67.0 140 141 A E T 3<5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.325 139.6 -53.2 -98.7 9.1 9.7 1.2 63.3 141 142 A G T < 5S- 0 0 51 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.281 73.5-114.9 144.5 -11.2 10.7 4.9 63.6 142 143 A G S - 0 0 73 -2,-0.3 3,-2.0 1,-0.2 6,-0.3 -0.757 19.8-154.4 -81.1 112.5 -2.0 20.4 39.8 153 154 A V T 3 S+ 0 0 4 -2,-0.7 -1,-0.2 -96,-0.3 6,-0.1 0.731 92.4 62.6 -61.9 -24.7 0.6 17.7 38.9 154 155 A F T 3 S+ 0 0 59 1,-0.1 -1,-0.3 44,-0.1 -2,-0.0 0.525 89.1 77.1 -77.9 -6.1 0.4 18.7 35.2 155 156 A D X - 0 0 72 -3,-2.0 3,-1.8 1,-0.1 4,-0.4 -0.889 64.9-165.8-106.9 101.6 1.7 22.2 36.1 156 157 A P G > S+ 0 0 62 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.746 86.5 60.5 -59.9 -25.5 5.5 22.0 36.6 157 158 A R G 3 S+ 0 0 232 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.638 98.1 59.5 -77.6 -14.6 5.6 25.4 38.2 158 159 A A G <> S+ 0 0 26 -3,-1.8 4,-0.8 -6,-0.3 3,-0.2 0.608 90.4 74.6 -82.0 -15.1 3.3 24.3 41.0 159 160 A L H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.4 3,-0.5 0.845 78.6 64.2 -77.9 -35.2 5.6 21.5 42.1 160 161 A S H > S+ 0 0 93 -4,-0.4 4,-2.0 1,-0.3 5,-0.5 0.887 102.8 51.9 -59.7 -36.0 8.4 23.3 44.0 161 162 A A H 4 S+ 0 0 61 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.820 108.1 51.4 -68.1 -34.3 5.9 24.5 46.7 162 163 A V H < S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.890 113.4 45.3 -63.0 -43.1 4.6 21.0 47.2 163 164 A L H >< S- 0 0 10 -4,-2.0 3,-2.5 2,-0.1 -2,-0.2 0.812 83.2-164.9 -77.3 -28.2 8.2 19.7 47.6 164 165 A A T 3< S- 0 0 68 -4,-2.0 -3,-0.1 1,-0.3 3,-0.1 0.868 78.2 -40.5 44.2 46.1 9.4 22.5 50.0 165 166 A G T 3 S+ 0 0 83 -5,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.322 109.9 125.6 91.0 -10.7 13.0 21.6 49.4 166 167 A S < - 0 0 30 -3,-2.5 -1,-0.3 -6,-0.2 -3,-0.0 -0.551 50.5-148.1 -79.4 150.1 12.6 17.8 49.5 167 168 A A - 0 0 53 -2,-0.2 -114,-0.3 -3,-0.1 36,-0.1 -0.861 19.2-142.0-117.1 90.1 13.9 15.7 46.7 168 169 A P - 0 0 0 0, 0.0 -114,-0.2 0, 0.0 39,-0.1 -0.288 14.0-166.3 -57.1 136.5 11.6 12.6 46.3 169 170 A D S S+ 0 0 30 -116,-2.0 39,-2.4 1,-0.3 2,-0.4 0.685 76.7 31.0 -88.2 -27.9 13.2 9.3 45.4 170 171 A V E -ce 54 208B 0 -117,-1.8 -115,-2.4 37,-0.2 2,-0.4 -0.999 58.1-167.9-136.2 131.4 10.0 7.6 44.5 171 172 A V E +ce 55 209B 0 37,-2.4 39,-3.0 -2,-0.4 2,-0.4 -0.971 16.1 175.9-107.3 134.5 6.7 8.8 43.1 172 173 A L E + e 0 210B 3 -117,-1.8 2,-0.3 -2,-0.4 39,-0.2 -0.961 9.7 157.1-142.5 119.6 3.9 6.2 43.3 173 174 A T E - e 0 211B 0 37,-1.9 39,-1.9 -2,-0.4 2,-0.5 -1.000 40.5-134.7-148.4 147.5 0.4 7.0 42.2 174 175 A D E - e 0 212B 23 -116,-0.4 39,-0.2 -2,-0.3 3,-0.1 -0.893 47.7-109.6 -95.8 123.0 -2.8 5.5 41.0 175 176 A L - 0 0 4 37,-2.7 39,-0.1 -2,-0.5 2,-0.1 -0.249 34.8-107.2 -65.6 139.1 -4.0 7.5 38.1 176 177 A P > - 0 0 37 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.411 19.6-127.7 -69.0 143.2 -7.1 9.7 38.8 177 178 A Y G > S+ 0 0 41 1,-0.3 3,-1.1 2,-0.2 8,-0.1 0.768 104.0 65.6 -65.1 -24.4 -10.2 8.5 37.1 178 179 A G G 3 S+ 0 0 73 1,-0.3 -1,-0.3 9,-0.0 5,-0.0 0.675 94.2 59.1 -72.2 -19.8 -10.9 11.9 35.6 179 180 A E G < S+ 0 0 67 -3,-1.5 -1,-0.3 4,-0.0 -2,-0.2 0.563 86.1 102.3 -81.1 -13.4 -7.9 11.6 33.3 180 181 A R S < S- 0 0 18 -3,-1.1 7,-0.3 -4,-0.4 3,-0.1 -0.428 85.2-121.1 -69.6 147.5 -9.3 8.4 31.8 181 182 A T S S- 0 0 103 5,-1.8 2,-0.3 1,-0.1 -1,-0.1 0.864 96.9 -9.7 -54.8 -40.5 -10.9 8.7 28.4 182 183 A H S S- 0 0 99 4,-0.1 3,-0.3 -5,-0.1 -1,-0.1 -0.925 83.8 -93.5-147.2 175.2 -14.0 7.4 30.1 183 184 A W S S+ 0 0 159 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 0.830 123.3 46.3 -62.5 -32.2 -14.8 5.9 33.5 184 185 A E S S+ 0 0 143 2,-0.1 -1,-0.2 -4,-0.0 -3,-0.0 0.810 112.6 55.7 -78.3 -30.7 -14.3 2.3 32.3 185 186 A G S S- 0 0 15 -3,-0.3 2,-0.3 1,-0.1 29,-0.3 0.613 81.1 -93.2 -87.6-135.2 -11.0 2.9 30.5 186 187 A Q - 0 0 64 -7,-0.1 -5,-1.8 27,-0.1 -4,-0.1 -0.937 40.0 -81.0-147.6 161.3 -7.6 4.3 31.1 187 188 A V - 0 0 4 -2,-0.3 -7,-0.2 -7,-0.3 -8,-0.0 -0.552 53.6-128.8 -68.0 126.1 -5.5 7.5 30.9 188 189 A P > - 0 0 47 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.146 24.9 -93.8 -73.8 175.7 -4.3 7.9 27.2 189 190 A G H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 115.5 52.5 -61.9 -45.6 -0.8 8.5 26.0 190 191 A Q H > S+ 0 0 179 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 111.7 45.5 -64.9 -49.1 -0.6 12.3 25.8 191 192 A P H > S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.919 115.1 48.4 -56.1 -45.3 -1.8 12.9 29.4 192 193 A V H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.934 111.7 50.1 -61.3 -47.3 0.5 10.2 30.8 193 194 A A H X S+ 0 0 30 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.919 112.0 47.2 -56.0 -44.6 3.4 11.7 28.8 194 195 A G H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.877 110.1 53.0 -66.8 -37.8 2.7 15.2 30.2 195 196 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.949 110.9 46.9 -61.0 -49.3 2.3 13.9 33.7 196 197 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 112.4 49.0 -61.7 -41.5 5.7 12.2 33.5 197 198 A R H X S+ 0 0 102 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.902 111.1 50.3 -65.8 -40.3 7.4 15.2 32.0 198 199 A S H X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.958 113.9 44.4 -60.8 -50.4 6.0 17.5 34.6 199 200 A L H >X S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 4,-0.9 0.911 109.5 55.1 -59.4 -46.6 7.1 15.3 37.5 200 201 A A H 3< S+ 0 0 2 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.808 99.1 62.7 -64.3 -27.7 10.6 14.7 36.0 201 202 A S H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.765 111.6 38.0 -64.1 -24.8 11.2 18.5 35.9 202 203 A A H << S+ 0 0 33 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.530 104.7 82.2-103.0 -10.6 10.9 18.6 39.7 203 204 A L S < S- 0 0 19 -4,-0.9 -34,-0.1 -3,-0.4 -36,-0.1 -0.585 82.7 -99.6-100.7 157.5 12.7 15.4 40.7 204 205 A P > - 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