==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUL-08 3DOU . COMPND 2 MOLECULE: RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE J; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA VOLCANIUM; . AUTHOR Y.PATSKOVSKY,S.OZYURT,M.DICKEY,S.HU,K.BAIN,S.WASSERMAN, . 176 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.5 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 . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 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 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 17 A Q > 0 0 70 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -4.4 26.1 19.5 19.5 2 18 A L T 3 + 0 0 100 1,-0.3 33,-0.0 36,-0.1 32,-0.0 0.670 360.0 47.1 -55.3 -21.8 24.4 20.2 22.9 3 19 A R T 3 S+ 0 0 162 4,-0.1 -1,-0.3 5,-0.0 32,-0.0 0.258 85.2 121.3-108.4 3.2 24.8 23.9 22.2 4 20 A S S <> S- 0 0 17 -3,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.229 75.3-112.2 -68.1 162.1 23.5 24.0 18.5 5 21 A R H > S+ 0 0 216 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 120.2 52.0 -60.3 -42.7 20.6 26.1 17.5 6 22 A A H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 107.0 52.4 -61.9 -44.8 18.6 22.9 16.9 7 23 A A H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.912 108.6 50.8 -56.0 -44.1 19.4 21.7 20.4 8 24 A F H X S+ 0 0 123 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.1 54.3 -63.1 -37.2 18.1 25.0 21.9 9 25 A K H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.937 110.2 46.4 -60.6 -45.8 14.9 24.7 19.9 10 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.915 109.6 53.1 -66.0 -39.6 14.3 21.2 21.3 11 27 A E H X S+ 0 0 79 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 109.2 50.7 -58.5 -41.7 15.1 22.3 24.9 12 28 A F H X S+ 0 0 65 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.926 111.7 47.1 -60.4 -46.8 12.5 25.1 24.5 13 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.4 0.861 111.6 49.5 -66.1 -39.8 9.9 22.7 23.3 14 30 A L H X S+ 0 0 25 -4,-2.6 4,-2.0 3,-0.2 -2,-0.2 0.919 111.8 49.9 -65.6 -40.0 10.6 20.2 26.1 15 31 A D H < S+ 0 0 140 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 120.3 35.5 -62.4 -42.8 10.4 23.0 28.7 16 32 A R H < S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 135.6 16.2 -80.9 -37.2 7.1 24.2 27.4 17 33 A Y H < S- 0 0 43 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.477 77.5-138.5-124.6 -8.1 5.3 21.0 26.3 18 34 A R < + 0 0 156 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.838 41.2 161.8 50.1 42.0 7.1 18.0 27.9 19 35 A V + 0 0 0 -6,-0.4 2,-0.4 1,-0.1 112,-0.2 0.801 65.7 39.6 -70.2 -29.5 6.7 16.3 24.5 20 36 A V S S- 0 0 4 71,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.975 82.9-156.2-113.9 136.5 9.3 13.7 25.5 21 37 A R > - 0 0 47 -2,-0.4 3,-2.1 1,-0.1 69,-0.1 -0.808 31.8 -83.2-113.9 147.4 9.3 12.4 29.0 22 38 A K T 3 S+ 0 0 150 -2,-0.3 22,-0.2 1,-0.3 -1,-0.1 -0.275 116.7 20.6 -47.5 124.8 12.1 10.9 31.1 23 39 A G T 3 S+ 0 0 32 20,-3.1 -1,-0.3 1,-0.3 21,-0.2 0.368 91.2 141.1 93.9 -4.1 12.4 7.2 30.3 24 40 A D < - 0 0 11 -3,-2.1 21,-2.2 19,-0.2 22,-1.2 -0.350 50.5-132.6 -67.9 150.8 10.7 7.4 26.9 25 41 A A E -a 46 0A 1 20,-0.2 66,-1.8 19,-0.2 65,-1.8 -0.928 32.4-166.0-100.9 133.2 11.8 5.4 23.9 26 42 A V E -ab 47 91A 1 20,-2.4 22,-2.7 -2,-0.5 2,-0.6 -0.965 26.1-150.5-129.4 132.5 12.0 7.7 20.9 27 43 A I E -ab 48 92A 0 64,-2.1 66,-2.9 -2,-0.4 2,-0.6 -0.935 25.8-162.2 -93.8 120.8 12.2 7.3 17.1 28 44 A E E -ab 49 93A 0 20,-3.0 22,-2.5 -2,-0.6 2,-0.5 -0.942 2.7-161.1-110.9 117.6 14.1 10.4 16.0 29 45 A I E S+ab 50 94A 2 64,-3.0 66,-2.1 -2,-0.6 67,-0.6 -0.861 74.1 19.3-103.5 127.2 13.8 11.3 12.2 30 46 A G S S+ 0 0 0 20,-2.6 -1,-0.2 -2,-0.5 21,-0.2 0.937 75.1 160.4 82.2 52.1 16.4 13.6 10.7 31 47 A S > + 0 0 0 19,-1.5 3,-0.6 -3,-0.3 6,-0.4 0.677 15.8 145.9 -85.1 -19.4 19.0 13.2 13.5 32 48 A S T 3 + 0 0 3 1,-0.3 23,-0.1 18,-0.2 20,-0.1 -0.447 68.5 11.7 -79.8 141.2 22.3 14.4 11.9 33 49 A P T 3 S- 0 0 65 0, 0.0 23,-0.4 0, 0.0 -1,-0.3 -0.999 105.1-114.5 -81.8 -9.7 24.6 15.8 13.2 34 50 A G <> + 0 0 0 144,-1.7 4,-2.6 -3,-0.6 5,-0.2 0.601 68.2 129.2 129.5 13.0 23.1 15.1 16.6 35 51 A G H > S+ 0 0 0 143,-2.3 4,-1.8 2,-0.2 5,-0.2 0.959 88.1 38.8 -60.1 -53.8 21.9 18.2 18.5 36 52 A W H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.908 114.8 56.6 -60.3 -40.3 18.4 16.8 19.3 37 53 A T H > S+ 0 0 0 -6,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.921 107.1 47.5 -60.1 -42.5 19.9 13.4 19.8 38 54 A Q H < S+ 0 0 56 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.870 114.0 47.4 -67.3 -36.4 22.3 14.7 22.5 39 55 A V H >< S+ 0 0 8 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.942 114.9 46.3 -66.9 -46.6 19.4 16.6 24.2 40 56 A L H >X S+ 0 0 0 -4,-3.3 4,-3.4 1,-0.2 3,-2.0 0.820 101.4 66.2 -64.3 -31.9 17.2 13.5 24.0 41 57 A N T 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.672 94.4 60.3 -66.2 -15.5 20.0 11.2 25.3 42 58 A S T <4 S+ 0 0 83 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.537 122.9 18.5 -83.9 -9.2 19.8 13.0 28.6 43 59 A L T <4 S+ 0 0 41 -3,-2.0 -20,-3.1 -4,-0.2 -19,-0.2 0.641 104.1 82.6-133.7 -45.3 16.1 12.0 29.1 44 60 A A < - 0 0 13 -4,-3.4 -19,-0.2 -22,-0.2 3,-0.2 -0.390 60.9-144.8 -74.0 150.2 15.2 9.0 26.9 45 61 A R S S+ 0 0 134 -21,-2.2 2,-0.3 1,-0.3 -20,-0.2 0.766 88.4 5.3 -79.2 -25.9 15.8 5.4 27.8 46 62 A K E -a 25 0A 46 -22,-1.2 -20,-2.4 -6,-0.1 2,-0.4 -0.961 64.1-164.0-159.7 135.5 16.5 4.5 24.2 47 63 A I E -a 26 0A 2 13,-0.5 15,-2.7 -2,-0.3 2,-0.6 -0.995 6.6-163.2-123.6 132.2 16.7 6.5 20.9 48 64 A I E -ac 27 62A 2 -22,-2.7 -20,-3.0 -2,-0.4 2,-0.4 -0.969 22.6-164.8-109.1 111.2 16.5 5.1 17.4 49 65 A S E -ac 28 63A 0 13,-2.4 15,-3.0 -2,-0.6 2,-0.4 -0.817 6.1-168.0-105.2 137.7 17.9 7.8 15.2 50 66 A I E +ac 29 64A 2 -22,-2.5 -20,-2.6 -2,-0.4 -19,-1.5 -0.985 16.5 147.6-130.2 132.0 17.4 7.9 11.4 51 67 A D E - c 0 65A 2 13,-1.7 15,-1.7 -2,-0.4 4,-0.1 -0.991 49.7-127.7-156.3 157.6 19.1 10.1 8.8 52 68 A L S S+ 0 0 74 -2,-0.3 2,-0.3 13,-0.2 15,-0.1 0.796 96.9 59.2 -66.2 -32.4 20.3 10.1 5.2 53 69 A Q S S- 0 0 105 1,-0.1 -21,-0.1 13,-0.1 13,-0.1 -0.716 91.3-105.9-104.4 149.1 23.7 11.4 6.4 54 70 A E - 0 0 119 -2,-0.3 2,-0.3 11,-0.1 -1,-0.1 -0.278 36.6-174.4 -61.8 152.1 26.2 9.8 8.8 55 71 A X - 0 0 18 -23,-0.1 -21,-0.1 -4,-0.1 -23,-0.1 -0.962 34.4 -81.6-141.2 164.3 26.6 11.3 12.2 56 72 A E - 0 0 155 -23,-0.4 2,-0.0 -2,-0.3 0, 0.0 -0.326 52.8-101.4 -64.6 143.0 29.0 10.7 15.1 57 73 A E - 0 0 169 6,-0.0 2,-0.4 3,-0.0 -1,-0.1 -0.300 31.4-162.5 -63.0 143.1 28.2 7.7 17.4 58 74 A I > - 0 0 31 3,-0.3 3,-2.0 -2,-0.0 5,-0.1 -0.997 35.7 -97.8-129.3 132.2 26.6 8.4 20.7 59 75 A A T 3 S+ 0 0 90 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.281 104.7 3.7 -56.7 128.1 26.7 5.7 23.4 60 76 A G T 3 S+ 0 0 50 1,-0.3 -13,-0.5 -14,-0.0 2,-0.4 0.364 97.0 123.0 82.7 -5.0 23.5 3.7 23.5 61 77 A V < - 0 0 23 -3,-2.0 2,-0.9 -15,-0.1 -3,-0.3 -0.764 57.1-140.1 -91.1 133.0 21.8 5.4 20.5 62 78 A R E -c 48 0A 61 -15,-2.7 -13,-2.4 -2,-0.4 2,-0.4 -0.844 22.2-164.7 -96.0 108.5 20.8 3.1 17.7 63 79 A F E -c 49 0A 54 -2,-0.9 2,-0.5 -15,-0.2 -13,-0.2 -0.795 8.4-171.9 -98.7 135.6 21.6 5.0 14.5 64 80 A I E -c 50 0A 24 -15,-3.0 -13,-1.7 -2,-0.4 2,-0.6 -0.985 16.5-146.6-125.3 120.7 20.1 3.9 11.1 65 81 A R E +c 51 0A 147 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.781 47.8 135.2 -82.3 120.2 21.2 5.4 7.9 66 82 A C - 0 0 13 -15,-1.7 2,-0.7 -2,-0.6 -13,-0.1 -0.974 59.3-123.6-166.0 144.2 18.1 5.4 5.8 67 83 A D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.896 25.6-147.9 -92.5 118.1 15.9 7.4 3.4 68 84 A I T 3 S+ 0 0 14 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.712 94.3 57.7 -60.9 -20.1 12.5 7.4 5.1 69 85 A F T 3 S+ 0 0 92 4,-0.1 -1,-0.3 3,-0.0 45,-0.0 0.608 95.7 81.8 -83.7 -12.5 10.8 7.5 1.7 70 86 A K S < S- 0 0 132 -3,-2.0 3,-0.4 1,-0.0 -4,-0.0 -0.000 93.3 -91.1 -91.5-165.9 12.4 4.3 0.4 71 87 A E S S+ 0 0 185 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.597 109.3 55.6 -89.2 -15.6 11.7 0.6 0.8 72 88 A T S > S+ 0 0 70 -5,-0.2 4,-2.6 1,-0.1 5,-0.2 0.557 74.9 98.6 -93.5 -9.3 13.7 -0.5 3.9 73 89 A I H > S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.3 5,-0.2 0.851 87.3 41.4 -54.6 -43.0 12.4 2.0 6.5 74 90 A F H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 115.9 48.9 -74.9 -39.0 9.8 -0.2 8.1 75 91 A D H > S+ 0 0 109 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.867 112.3 50.9 -62.5 -37.3 12.0 -3.3 8.1 76 92 A D H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.911 114.2 41.6 -67.4 -45.9 14.8 -1.2 9.6 77 93 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.936 112.7 54.8 -70.7 -43.7 12.7 0.2 12.4 78 94 A D H X S+ 0 0 53 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.920 110.3 46.8 -49.4 -49.9 11.1 -3.2 13.0 79 95 A R H X S+ 0 0 147 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 112.1 49.6 -62.2 -43.8 14.5 -4.8 13.4 80 96 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.924 112.9 46.4 -63.0 -45.9 15.8 -2.1 15.7 81 97 A L H X>S+ 0 0 6 -4,-2.9 5,-2.6 2,-0.2 4,-0.8 0.917 111.2 52.6 -61.6 -43.5 12.7 -2.3 18.0 82 98 A R H ><5S+ 0 0 169 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.937 109.3 49.3 -58.0 -46.4 12.9 -6.1 18.1 83 99 A E H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 112.7 47.9 -66.7 -27.3 16.5 -6.0 19.2 84 100 A E H 3<5S- 0 0 58 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.533 111.5-119.3 -87.8 -6.7 15.6 -3.5 21.9 85 101 A G T <<5 + 0 0 71 -3,-1.1 2,-0.4 -4,-0.8 -3,-0.2 0.788 67.6 139.3 71.6 29.9 12.7 -5.5 23.2 86 102 A I < + 0 0 19 -5,-2.6 -1,-0.3 1,-0.2 -2,-0.2 -0.914 33.0 179.6-110.1 130.5 10.3 -2.7 22.4 87 103 A E S S+ 0 0 163 -2,-0.4 2,-0.4 1,-0.4 -1,-0.2 0.856 78.4 10.6 -88.2 -47.9 6.8 -3.3 20.8 88 104 A K S S- 0 0 92 -7,-0.1 -1,-0.4 40,-0.0 38,-0.2 -0.995 76.6-132.0-136.9 135.3 5.6 0.4 20.7 89 105 A V E - d 0 126A 0 36,-2.3 38,-2.7 -2,-0.4 -63,-0.2 -0.439 11.6-132.8 -86.0 164.7 7.7 3.5 21.2 90 106 A D E S+ 0 0 17 -65,-1.8 41,-1.9 1,-0.2 2,-0.3 0.829 82.8 11.2 -86.4 -35.2 6.6 6.4 23.4 91 107 A D E -bd 26 131A 0 -66,-1.8 -64,-2.1 39,-0.2 2,-0.4 -0.992 50.9-155.9-142.4 151.5 7.4 9.2 20.9 92 108 A V E -bd 27 132A 0 39,-2.0 41,-2.1 -2,-0.3 2,-0.4 -1.000 24.2-178.1-120.6 124.9 8.3 9.9 17.3 93 109 A V E -bd 28 133A 0 -66,-2.9 -64,-3.0 -2,-0.4 2,-0.4 -0.961 5.0-169.9-123.3 146.0 10.1 13.2 16.8 94 110 A S E +bd 29 134A 1 39,-2.2 41,-2.0 -2,-0.4 -64,-0.2 -0.982 28.7 163.2-140.5 129.5 11.3 14.7 13.5 95 111 A D + 0 0 0 -66,-2.1 -65,-0.2 -2,-0.4 -1,-0.1 0.014 43.2 144.0-115.2 19.2 13.5 17.7 12.6 96 112 A A + 0 0 1 -67,-0.6 2,-0.3 39,-0.1 -66,-0.1 -0.355 14.6 153.0 -68.0 139.7 13.9 16.3 9.1 97 113 A X - 0 0 11 -2,-0.1 3,-0.1 17,-0.1 2,-0.1 -0.955 32.0-137.0-160.4 145.3 14.1 18.7 6.2 98 114 A A - 0 0 48 -2,-0.3 13,-0.0 1,-0.2 2,-0.0 -0.140 61.2 -42.1 -88.8-168.0 15.6 18.6 2.7 99 115 A K - 0 0 200 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.364 65.0-124.6 -60.4 137.9 17.6 21.5 1.1 100 116 A V - 0 0 91 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.695 21.0-170.7 -88.0 132.6 15.9 24.9 1.8 101 117 A S - 0 0 44 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 0.612 38.5-123.3 -95.5 -18.0 15.0 27.1 -1.2 102 118 A G S S+ 0 0 55 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.534 78.9 114.6 82.1 9.1 14.1 30.2 0.7 103 119 A I > - 0 0 81 1,-0.1 4,-2.9 2,-0.0 5,-0.3 -0.956 62.5-146.3-115.1 113.4 10.6 30.2 -0.9 104 120 A P H > S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.874 96.6 49.4 -49.5 -43.9 7.8 29.5 1.6 105 121 A S H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 115.2 43.0 -64.2 -43.7 5.6 27.6 -0.8 106 122 A R H > S+ 0 0 159 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.905 115.0 48.4 -68.1 -43.8 8.4 25.3 -2.0 107 123 A D H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 30,-0.3 0.902 111.4 51.6 -68.8 -33.5 9.8 24.7 1.5 108 124 A H H X S+ 0 0 12 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.935 108.1 52.2 -59.0 -47.6 6.2 24.0 2.7 109 125 A A H X S+ 0 0 52 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.928 112.8 42.5 -60.7 -45.5 5.7 21.5 -0.1 110 126 A V H X S+ 0 0 56 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.919 116.1 49.8 -64.3 -46.0 8.9 19.5 0.7 111 127 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.859 107.4 54.2 -62.6 -39.9 8.3 19.7 4.4 112 128 A Y H X S+ 0 0 38 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.920 106.6 51.2 -61.0 -45.0 4.7 18.5 4.0 113 129 A Q H X S+ 0 0 110 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.902 111.7 47.3 -62.2 -40.4 5.8 15.4 2.2 114 130 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.928 110.7 53.0 -61.6 -45.4 8.3 14.6 4.9 115 131 A G H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 105.6 54.0 -60.0 -43.3 5.5 15.2 7.5 116 132 A Q H X S+ 0 0 59 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.915 111.4 44.5 -55.5 -45.3 3.2 12.8 5.8 117 133 A R H X S+ 0 0 43 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.883 110.4 54.8 -71.5 -37.3 5.8 10.0 5.9 118 134 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.927 109.6 48.2 -58.3 -43.5 6.7 10.8 9.6 119 135 A X H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.884 107.2 54.6 -68.1 -36.0 3.0 10.4 10.5 120 136 A E H X S+ 0 0 79 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.923 112.1 45.3 -61.4 -39.1 2.8 7.1 8.6 121 137 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.926 111.6 53.5 -66.8 -44.4 5.8 5.9 10.7 122 138 A A H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.5 0.941 107.4 47.8 -59.4 -48.4 4.2 7.3 13.9 123 139 A V H 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 111.8 53.0 -68.6 -23.5 0.9 5.6 13.6 124 140 A R H 3< S+ 0 0 114 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.817 124.5 21.5 -71.6 -34.1 2.7 2.3 12.9 125 141 A Y H << S+ 0 0 9 -4,-1.6 -36,-2.3 -3,-0.5 2,-0.2 0.566 91.4 110.3-119.8 -11.3 5.0 2.4 15.9 126 142 A L E < -d 89 0A 2 -4,-2.6 -36,-0.2 -38,-0.2 2,-0.1 -0.473 59.5-130.2 -75.2 139.5 3.4 4.6 18.6 127 143 A R E > - 0 0 87 -38,-2.7 3,-2.6 -2,-0.2 46,-0.3 -0.453 41.8 -85.0 -74.1 155.4 2.0 3.2 21.8 128 144 A N E 3 S+ 0 0 95 1,-0.3 46,-0.2 -2,-0.1 -1,-0.1 -0.486 124.7 27.7 -55.6 128.6 -1.4 4.3 23.0 129 145 A G E 3 S+ 0 0 31 44,-2.7 43,-0.5 1,-0.3 -1,-0.3 0.337 95.5 137.4 92.4 -3.6 -0.8 7.5 24.8 130 146 A G E < - 0 0 0 -3,-2.6 43,-2.3 43,-0.2 2,-0.3 -0.250 42.2-133.8 -76.4 165.0 2.4 8.3 22.7 131 147 A N E -d 91 0A 12 -41,-1.9 -39,-2.0 40,-0.2 2,-0.4 -0.817 7.1-151.3-119.8 157.4 3.4 11.7 21.3 132 148 A V E -dE 92 170A 0 38,-2.5 38,-2.1 -2,-0.3 2,-0.4 -0.986 7.1-174.5-124.4 139.4 4.7 13.2 18.1 133 149 A L E +dE 93 169A 0 -41,-2.1 -39,-2.2 -2,-0.4 2,-0.4 -0.999 17.0 171.4-125.6 127.9 6.8 16.3 17.5 134 150 A L E -dE 94 168A 1 34,-2.5 34,-3.0 -2,-0.4 2,-0.3 -0.992 30.3-131.7-144.8 136.7 7.5 17.4 14.0 135 151 A K E + E 0 167A 6 -41,-2.0 2,-0.3 -2,-0.4 32,-0.2 -0.641 32.9 172.3 -76.0 137.1 9.1 20.3 12.2 136 152 A Q E - E 0 166A 0 30,-2.8 30,-3.2 -2,-0.3 2,-0.6 -0.996 34.7-131.2-142.7 145.2 7.0 21.8 9.3 137 153 A F E - E 0 165A 21 -2,-0.3 28,-0.3 -30,-0.3 -25,-0.1 -0.889 44.8-115.4 -90.9 123.3 7.4 24.9 7.2 138 154 A Q + 0 0 75 26,-3.3 2,-0.3 -2,-0.6 -30,-0.2 -0.246 56.7 120.5 -67.6 142.8 3.9 26.4 7.3 139 155 A G S > S- 0 0 30 -31,-0.1 3,-1.9 -32,-0.1 4,-0.5 -0.930 72.0 -44.4-172.7-159.8 1.7 26.7 4.2 140 156 A D T 3> S+ 0 0 151 1,-0.3 4,-0.5 -2,-0.3 3,-0.4 0.832 127.1 50.6 -52.8 -38.5 -1.5 25.8 2.6 141 157 A X H 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.528 87.8 87.1 -84.5 -6.4 -1.5 22.2 3.7 142 158 A T H <> S+ 0 0 0 -3,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.931 88.0 43.8 -67.8 -49.5 -0.8 22.8 7.3 143 159 A N H > S+ 0 0 113 -4,-0.5 4,-2.6 -3,-0.4 -1,-0.2 0.906 117.1 47.0 -65.0 -38.5 -4.3 23.3 8.7 144 160 A D H X S+ 0 0 104 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.884 110.5 53.2 -67.9 -37.8 -5.7 20.3 6.7 145 161 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.932 112.9 44.3 -58.3 -49.6 -2.7 18.2 7.9 146 162 A I H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.920 111.6 52.9 -64.1 -43.9 -3.4 19.1 11.5 147 163 A A H < S+ 0 0 44 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.863 115.1 41.5 -60.6 -39.4 -7.2 18.5 11.1 148 164 A I H >< S+ 0 0 95 -4,-2.2 3,-1.1 1,-0.1 -2,-0.2 0.962 118.9 41.2 -73.7 -52.4 -6.6 15.0 9.6 149 165 A W H >< S+ 0 0 36 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.798 101.7 68.3 -73.2 -27.0 -3.9 13.7 11.9 150 166 A R G >< S+ 0 0 127 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.673 82.1 77.4 -68.5 -14.3 -5.3 15.1 15.2 151 167 A K G < S+ 0 0 160 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.683 92.9 52.6 -62.9 -21.4 -8.1 12.6 14.8 152 168 A N G < S+ 0 0 51 -3,-1.9 22,-2.8 -4,-0.2 2,-0.3 0.246 109.0 62.0 -95.0 8.9 -5.6 10.0 16.1 153 169 A F E < S-F 173 0A 6 -3,-1.6 19,-0.2 20,-0.2 20,-0.2 -0.925 76.8-126.8-139.0 158.6 -4.7 12.0 19.2 154 170 A S E S- 0 0 86 17,-1.7 2,-0.3 18,-0.9 18,-0.2 0.856 90.1 -19.9 -70.8 -36.8 -6.1 13.5 22.4 155 171 A S E -F 171 0A 56 16,-1.6 16,-2.8 -3,-0.0 2,-0.3 -0.955 57.6-143.7-159.9 172.7 -4.8 17.0 21.6 156 172 A Y E -F 170 0A 94 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.976 6.5-165.4-143.4 159.8 -2.3 19.0 19.5 157 173 A K E -F 169 0A 99 12,-2.3 12,-3.1 -2,-0.3 2,-0.4 -0.981 7.8-152.4-140.0 151.4 -0.2 22.1 19.9 158 174 A I E -F 168 0A 51 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.978 19.3-178.2-119.8 137.5 1.7 24.4 17.4 159 175 A S E -F 167 0A 3 8,-2.4 8,-2.7 -2,-0.4 -146,-0.0 -0.987 23.8-156.8-135.1 152.0 4.8 26.4 18.4 160 176 A K 0 0 128 -2,-0.3 6,-0.1 6,-0.2 -2,-0.0 -0.912 360.0 360.0-122.1 100.2 7.3 28.8 16.9 161 177 A P 0 0 70 0, 0.0 -152,-0.1 0, 0.0 4,-0.1 -0.204 360.0 360.0 -68.5 360.0 10.7 28.8 18.9 162 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 163 184 A S 0 0 174 0, 0.0 -26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.0 10.2 32.5 9.6 164 185 A S + 0 0 29 2,-0.0 -26,-3.3 -27,-0.0 2,-0.2 0.421 360.0 115.9 -98.0 -1.2 7.7 30.0 8.3 165 186 A E E +E 137 0A 51 -28,-0.3 2,-0.3 -4,-0.1 -28,-0.2 -0.502 39.4 167.6 -69.9 129.4 9.2 27.1 10.4 166 187 A I E -E 136 0A 2 -30,-3.2 -30,-2.8 -2,-0.2 2,-0.5 -0.917 31.2-129.4-134.6 165.8 6.8 25.7 13.0 167 188 A Y E -EF 135 159A 0 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.5 -0.984 18.1-159.9-120.2 124.2 6.7 22.7 15.3 168 189 A I E -EF 134 158A 0 -34,-3.0 -34,-2.5 -2,-0.5 2,-0.4 -0.899 8.3-168.5-102.8 130.8 3.6 20.6 15.4 169 190 A X E -EF 133 157A 0 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.4 -0.982 8.2-164.9-123.7 133.0 2.9 18.3 18.4 170 191 A F E -EF 132 156A 0 -38,-2.1 -38,-2.5 -2,-0.4 2,-0.4 -0.967 14.3-157.1-113.7 131.2 0.3 15.6 18.7 171 192 A F E + F 0 155A 29 -16,-2.8 -17,-1.7 -2,-0.4 -16,-1.6 -0.895 57.2 10.3-116.6 134.1 -0.4 14.3 22.2 172 193 A G E S- 0 0 13 -43,-0.5 -18,-0.9 -2,-0.4 -1,-0.2 0.996 73.5-138.6 74.8 67.4 -1.8 11.0 23.4 173 194 A F E - F 0 153A 13 -43,-2.3 -44,-2.7 -46,-0.3 2,-0.4 -0.255 15.3-164.4 -57.2 139.0 -2.1 8.6 20.4 174 195 A K - 0 0 77 -22,-2.8 -46,-0.1 -46,-0.2 -1,-0.0 -0.943 16.9-164.9-127.2 111.4 -5.2 6.5 20.1 175 196 A A 0 0 77 -2,-0.4 -1,-0.1 1,-0.3 -22,-0.1 0.773 360.0 360.0 -59.4 -26.7 -5.1 3.5 17.8 176 197 A E 0 0 172 -3,-0.1 -1,-0.3 -24,-0.1 -3,-0.0 0.491 360.0 360.0 -78.5 360.0 -8.9 3.7 18.2 177 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 178 1 A X 0 0 89 0, 0.0 -143,-2.3 0, 0.0 -144,-1.7 0.000 360.0 360.0 360.0 360.0 19.2 17.8 14.0