==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JAN-10 3LL7 . COMPND 2 MOLECULE: PUTATIVE METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR C.CHANG,G.CHHOR,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 401 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 5 3 3 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 1 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 1 3 0 2 0 2 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 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 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 1 A X 0 0 136 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 38.4 -15.4 9.5 2 2 A L - 0 0 89 124,-0.0 2,-0.3 0, 0.0 121,-0.0 -0.810 360.0-149.5 -99.8 143.7 37.9 -12.0 11.1 3 3 A F - 0 0 19 -2,-0.4 2,-0.1 120,-0.1 0, 0.0 -0.820 5.2-141.4-117.7 146.7 34.5 -10.4 11.1 4 4 A D > - 0 0 89 -2,-0.3 4,-2.5 1,-0.0 5,-0.2 -0.385 44.6 -88.7 -92.7 178.8 33.0 -6.9 10.9 5 5 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 126.8 52.2 -55.8 -46.1 30.0 -5.7 12.9 6 6 A K H > S+ 0 0 165 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 112.2 46.1 -58.2 -41.4 27.5 -6.7 10.2 7 7 A E H > S+ 0 0 41 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.893 110.5 52.7 -70.7 -37.7 29.0 -10.3 10.0 8 8 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.932 108.6 50.9 -64.5 -43.3 29.0 -10.7 13.8 9 9 A L H X S+ 0 0 77 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.915 112.8 45.9 -57.6 -44.2 25.4 -9.7 13.9 10 10 A A H X S+ 0 0 15 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.920 111.1 52.3 -64.3 -45.6 24.6 -12.3 11.2 11 11 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.922 112.1 44.8 -60.3 -42.6 26.6 -15.0 13.0 12 12 A T H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.866 112.4 51.8 -70.2 -36.8 24.9 -14.5 16.3 13 13 A R H X S+ 0 0 140 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.937 113.5 45.0 -60.8 -45.3 21.4 -14.4 14.6 14 14 A W H X S+ 0 0 23 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.901 109.0 55.6 -67.0 -39.1 22.3 -17.7 12.8 15 15 A A H < S+ 0 0 16 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.853 115.2 40.3 -58.9 -37.3 23.6 -19.3 16.1 16 16 A K H >< S+ 0 0 156 -4,-1.6 3,-1.3 2,-0.2 -2,-0.2 0.911 114.9 49.2 -75.7 -48.6 20.3 -18.5 17.7 17 17 A L H 3< S+ 0 0 107 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.893 123.7 32.9 -58.5 -39.0 18.1 -19.4 14.7 18 18 A Y T >< S+ 0 0 25 -4,-2.8 3,-2.4 -5,-0.2 -1,-0.3 0.083 79.8 129.3-109.0 24.4 19.8 -22.8 14.3 19 19 A A T < + 0 0 60 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.724 66.5 60.3 -52.1 -29.5 20.6 -23.3 18.0 20 20 A N T 3 S+ 0 0 146 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.441 86.2 92.4 -85.6 -1.7 19.2 -26.9 18.0 21 21 A Q S < S- 0 0 17 -3,-2.4 -3,-0.0 1,-0.1 8,-0.0 -0.744 79.1-120.4 -90.1 141.7 21.6 -28.2 15.3 22 22 A S > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.338 32.9-104.3 -68.6 161.2 24.9 -29.8 16.4 23 23 A P H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 19,-0.1 0.873 124.2 50.8 -57.9 -34.5 28.1 -28.1 15.1 24 24 A D H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 109.0 50.9 -69.7 -36.3 28.5 -30.9 12.5 25 25 A R H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 106.9 54.2 -67.0 -40.2 24.9 -30.4 11.3 26 26 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 112.4 46.2 -51.3 -47.3 25.6 -26.7 11.0 27 27 A L H < S+ 0 0 64 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 131.3 15.7 -67.0 -48.3 28.5 -27.5 8.8 28 28 A L H < S+ 0 0 166 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.221 114.8 86.6-114.8 15.3 27.0 -30.2 6.4 29 29 A G S < S- 0 0 17 -4,-1.9 2,-0.8 -5,-0.2 -3,-0.0 -0.384 81.9 -61.9-117.2-170.7 23.3 -29.6 7.1 30 30 A S S S+ 0 0 95 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.590 73.3 98.1 -86.3 107.3 20.2 -27.6 6.3 31 31 A N S S- 0 0 21 -2,-0.8 -17,-0.0 2,-0.1 -13,-0.0 -0.961 73.9-102.9-169.0 173.8 20.2 -23.9 6.8 32 32 A D S S+ 0 0 132 -2,-0.3 -2,-0.1 -18,-0.0 -18,-0.0 0.044 71.6 127.1 -94.0 17.5 20.7 -20.5 5.1 33 33 A I - 0 0 3 -7,-0.1 -2,-0.1 -19,-0.1 5,-0.1 -0.700 64.6-120.2 -81.7 124.3 24.2 -19.9 6.4 34 34 A P >> - 0 0 41 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.313 27.6-111.1 -61.1 150.0 26.6 -19.1 3.6 35 35 A P H >> S+ 0 0 105 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.856 115.1 58.3 -49.8 -43.9 29.5 -21.7 3.5 36 36 A E H 34 S+ 0 0 103 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.621 109.7 44.1 -67.5 -14.2 32.1 -19.2 4.6 37 37 A Y H <> S+ 0 0 37 -3,-1.9 4,-2.3 2,-0.1 -1,-0.2 0.471 86.1 90.2-106.0 -6.0 30.2 -18.5 7.9 38 38 A R H S+ 0 0 9 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 114.3 44.3 -60.8 -45.4 31.9 -19.4 12.9 41 41 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 114.2 49.3 -64.3 -47.6 28.3 -20.3 13.7 42 42 A A H X S+ 0 0 7 -4,-3.3 4,-3.3 1,-0.2 -2,-0.2 0.895 108.7 54.7 -55.8 -41.6 29.2 -23.9 14.6 43 43 A T H X S+ 0 0 55 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.900 108.3 47.5 -60.2 -45.1 32.0 -22.5 16.9 44 44 A Q H X S+ 0 0 2 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.928 115.3 45.5 -62.7 -45.2 29.4 -20.3 18.8 45 45 A I H >< S+ 0 0 24 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.943 110.3 54.8 -61.2 -48.2 27.0 -23.2 19.1 46 46 A E H 3< S+ 0 0 67 -4,-3.3 4,-0.3 1,-0.3 -1,-0.2 0.873 114.7 38.4 -53.7 -42.7 29.9 -25.6 20.2 47 47 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.488 89.1 92.7 -95.2 -1.7 31.0 -23.4 23.1 48 48 A W H S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.929 112.4 46.4 -57.3 -41.6 27.3 -24.9 27.0 50 50 A R H > S+ 0 0 82 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.824 112.2 51.0 -70.9 -33.1 30.8 -24.0 28.3 51 51 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 8,-0.3 0.894 108.4 52.4 -62.6 -43.9 29.9 -20.3 28.3 52 52 A R H < S+ 0 0 124 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 109.5 48.8 -62.2 -41.2 26.7 -21.0 30.2 53 53 A N H < S+ 0 0 133 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.945 122.1 32.4 -60.7 -50.2 28.5 -22.9 32.9 54 54 A K H < S+ 0 0 55 -4,-1.7 24,-0.7 1,-0.3 -2,-0.2 0.917 137.0 17.1 -78.6 -48.4 31.2 -20.2 33.4 55 55 A L X + 0 0 3 -4,-2.9 4,-2.0 -5,-0.2 3,-0.5 -0.728 66.1 170.5-127.6 77.4 29.3 -17.0 32.7 56 56 A P H > S+ 0 0 77 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.842 78.7 57.7 -63.5 -30.5 25.6 -17.8 32.9 57 57 A Q H 4 S+ 0 0 169 1,-0.2 3,-0.2 2,-0.2 -5,-0.1 0.868 109.1 46.0 -65.3 -34.3 24.6 -14.1 32.7 58 58 A W H >4 S+ 0 0 17 -3,-0.5 3,-2.5 -7,-0.2 6,-0.2 0.912 104.6 60.0 -69.7 -44.0 26.5 -13.8 29.3 59 59 A A H 3< S+ 0 0 8 -4,-2.0 -1,-0.2 -8,-0.3 -2,-0.2 0.704 103.3 54.7 -60.2 -19.3 25.0 -17.0 27.9 60 60 A G T 3< S+ 0 0 70 -4,-0.8 2,-0.5 -3,-0.2 -1,-0.3 0.392 89.1 96.7 -92.8 1.4 21.5 -15.4 28.3 61 61 A I S X S- 0 0 56 -3,-2.5 3,-1.1 -4,-0.0 2,-0.2 -0.842 71.6-129.0-103.5 128.0 22.4 -12.3 26.3 62 62 A S T 3 S+ 0 0 83 -2,-0.5 3,-0.1 1,-0.2 -49,-0.1 -0.436 87.1 17.2 -74.0 133.9 21.5 -12.0 22.7 63 63 A S T 3 S+ 0 0 34 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.409 81.3 144.0 89.9 -4.9 24.1 -11.0 20.2 64 64 A L < - 0 0 2 -3,-1.1 2,-0.5 -6,-0.2 -1,-0.3 -0.525 33.9-158.5 -68.4 136.1 27.1 -11.7 22.4 65 65 A Y - 0 0 21 62,-0.3 66,-0.2 -2,-0.2 65,-0.1 -0.986 8.5-145.8-122.5 123.6 29.9 -13.1 20.3 66 66 A I - 0 0 0 -2,-0.5 3,-0.1 1,-0.1 -19,-0.1 -0.784 6.5-153.5 -90.9 117.7 32.7 -15.2 21.8 67 67 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 68.2 -19.8 -65.4 -35.6 36.0 -14.5 20.0 68 68 A S > - 0 0 25 1,-0.1 4,-1.7 56,-0.1 5,-0.1 -0.987 50.8-115.9-161.7 156.8 37.5 -17.9 20.8 69 69 A R H > S+ 0 0 149 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.893 119.5 58.0 -57.5 -41.4 37.5 -21.0 23.1 70 70 A L H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.954 106.2 45.6 -53.2 -55.0 40.9 -19.8 24.1 71 71 A S H > S+ 0 0 10 1,-0.2 4,-0.7 2,-0.2 30,-0.3 0.829 111.9 53.7 -60.8 -33.9 39.6 -16.4 25.2 72 72 A L H >< S+ 0 0 1 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.932 108.5 46.5 -67.6 -45.7 36.7 -18.0 27.1 73 73 A E H 3< S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.742 111.8 52.9 -73.0 -17.7 38.9 -20.4 29.2 74 74 A Q H 3< S+ 0 0 132 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.632 89.3 103.5 -87.1 -15.4 41.4 -17.7 30.1 75 75 A S S << S- 0 0 19 -3,-0.8 25,-0.1 -4,-0.7 -3,-0.0 -0.193 78.1 -96.7 -73.5 158.6 38.8 -15.2 31.5 76 76 A S - 0 0 7 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.223 43.0-112.4 -53.9 154.7 37.9 -14.3 35.1 77 77 A G > - 0 0 23 1,-0.1 4,-1.2 26,-0.0 5,-0.1 -0.333 30.0-103.2 -78.2 176.0 34.9 -16.0 36.6 78 78 A A H > S+ 0 0 44 -24,-0.7 4,-1.6 2,-0.1 -23,-0.1 0.877 115.0 49.9 -66.8 -41.9 31.7 -14.1 37.5 79 79 A V H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.908 113.2 41.1 -73.6 -39.8 32.3 -14.0 41.2 80 80 A T H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.894 109.7 58.9 -75.5 -37.5 35.9 -12.7 41.4 81 81 A S H >< S+ 0 0 7 -4,-1.2 3,-0.6 1,-0.2 4,-0.5 0.954 108.0 47.6 -54.7 -47.7 35.4 -10.2 38.6 82 82 A S H >< S+ 0 0 63 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.765 101.4 62.5 -67.8 -28.4 32.6 -8.6 40.7 83 83 A Y H >< S+ 0 0 30 -4,-1.1 3,-1.7 -3,-0.3 -1,-0.2 0.863 95.0 64.4 -58.7 -37.8 34.7 -8.4 43.9 84 84 A K G X< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.6 4,-0.4 0.779 84.0 74.2 -55.6 -28.8 37.1 -6.1 42.0 85 85 A S G X S+ 0 0 27 -3,-0.8 3,-1.4 -4,-0.5 -1,-0.3 0.777 81.7 71.0 -61.5 -23.1 34.3 -3.5 41.7 86 86 A R G < S+ 0 0 118 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.676 92.0 57.9 -64.5 -19.7 34.8 -2.8 45.5 87 87 A F G < S+ 0 0 17 -3,-2.1 2,-0.6 -4,-0.2 -1,-0.2 0.620 94.6 80.4 -81.0 -12.0 38.2 -1.1 44.6 88 88 A I S < S- 0 0 4 -3,-1.4 3,-0.1 -4,-0.4 -1,-0.1 -0.844 75.1-136.5-111.8 113.0 36.5 1.4 42.2 89 89 A R > - 0 0 180 -2,-0.6 3,-1.3 1,-0.1 73,-0.1 -0.331 38.9 -95.1 -60.4 140.8 34.7 4.6 43.4 90 90 A E T 3 S+ 0 0 126 1,-0.2 22,-0.2 22,-0.1 -1,-0.1 -0.348 106.4 15.4 -60.2 131.9 31.4 5.3 41.7 91 91 A G T 3 S+ 0 0 41 20,-3.2 -1,-0.2 1,-0.2 21,-0.2 0.607 95.8 129.8 82.2 16.4 31.7 7.7 38.7 92 92 A T < - 0 0 11 -3,-1.3 21,-2.3 19,-0.1 22,-1.8 -0.152 58.3-102.4 -91.6-174.9 35.5 7.5 38.2 93 93 A K E -a 114 0A 62 19,-0.2 70,-2.0 20,-0.2 69,-1.3 -0.923 35.6-174.5-112.7 137.4 37.7 6.8 35.2 94 94 A V E -ab 115 163A 0 20,-2.1 22,-2.2 -2,-0.4 2,-0.4 -0.967 16.3-160.6-132.3 148.3 39.5 3.5 34.5 95 95 A V E -ab 116 164A 0 68,-2.2 70,-3.2 -2,-0.3 2,-0.6 -1.000 7.1-160.0-121.7 129.7 42.0 2.1 32.0 96 96 A D E -ab 117 165A 0 20,-3.0 22,-2.2 -2,-0.4 70,-0.2 -0.950 8.4-174.2-107.1 111.2 42.3 -1.7 31.5 97 97 A L S S+ 0 0 4 68,-2.6 52,-0.5 -2,-0.6 69,-0.2 0.632 77.8 39.7 -78.8 -22.8 45.7 -2.4 29.9 98 98 A T S S+ 0 0 34 67,-0.4 22,-0.2 1,-0.2 -1,-0.2 0.516 80.3 179.4-114.6 -11.2 45.4 -6.0 29.2 99 99 A G + 0 0 17 20,-0.1 3,-0.4 -3,-0.1 2,-0.3 -0.160 10.3 156.0 55.7-126.2 41.8 -6.4 28.0 100 100 A G S S- 0 0 20 1,-0.2 28,-0.1 21,-0.1 -1,-0.1 -0.758 74.3 -13.4 102.8-143.9 40.6 -9.9 27.0 101 101 A L S S- 0 0 10 -30,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.757 92.6-125.1 -65.4 -23.4 37.0 -11.1 27.0 102 102 A G S > S+ 0 0 3 -3,-0.4 4,-2.9 3,-0.0 5,-0.2 0.528 72.6 126.8 97.6 8.0 36.3 -7.9 29.0 103 103 A I H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.865 79.3 47.0 -69.8 -32.4 34.6 -9.3 32.1 104 104 A D H > S+ 0 0 11 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 112.5 50.4 -67.5 -44.2 37.0 -7.5 34.5 105 105 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 110.0 50.5 -60.0 -44.2 36.6 -4.3 32.5 106 106 A I H X S+ 0 0 28 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.898 108.7 52.0 -59.8 -40.8 32.8 -4.7 32.7 107 107 A A H >< S+ 0 0 10 -4,-1.8 3,-0.6 1,-0.2 4,-0.2 0.887 110.6 48.2 -64.7 -39.3 33.1 -5.2 36.5 108 108 A L H >X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 3,-1.4 0.890 109.0 53.9 -63.5 -40.7 35.1 -2.0 36.8 109 109 A X H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.527 86.9 78.8 -76.0 -7.1 32.5 -0.2 34.7 110 110 A S T << S+ 0 0 47 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.700 117.0 18.0 -64.9 -19.4 29.7 -1.3 37.1 111 111 A K T <4 S+ 0 0 53 -3,-1.4 -20,-3.2 -4,-0.2 -2,-0.2 0.725 113.5 76.4-116.7 -48.4 31.2 1.6 39.1 112 112 A A < - 0 0 0 -4,-2.5 -19,-0.2 -22,-0.2 3,-0.1 -0.312 59.7-152.8 -69.7 151.8 33.3 3.8 36.8 113 113 A S S S+ 0 0 35 -21,-2.3 28,-2.2 1,-0.2 2,-0.4 0.684 80.2 33.6 -95.7 -25.9 31.6 6.3 34.4 114 114 A Q E +ac 93 141A 76 -22,-1.8 -20,-2.1 26,-0.2 2,-0.3 -0.996 68.5 171.5-134.5 139.4 34.4 6.3 31.8 115 115 A G E -ac 94 142A 3 26,-2.3 28,-1.8 -2,-0.4 2,-0.5 -0.997 25.1-151.4-148.1 150.3 36.8 3.7 30.6 116 116 A I E -ac 95 143A 6 -22,-2.2 -20,-3.0 -2,-0.3 2,-0.4 -0.995 16.8-164.6-117.0 127.1 39.5 2.8 28.1 117 117 A Y E -ac 96 144A 0 26,-2.9 28,-3.2 -2,-0.5 2,-0.4 -0.921 6.2-170.8-110.0 134.8 39.9 -0.9 27.3 118 118 A I E + c 0 145A 1 -22,-2.2 2,-0.4 -2,-0.4 28,-0.2 -0.998 6.6 176.7-131.3 128.1 43.1 -1.9 25.5 119 119 A E E - c 0 146A 24 26,-2.1 28,-2.7 -2,-0.4 6,-0.1 -0.984 23.9-151.5-138.9 125.0 43.7 -5.4 24.0 120 120 A R S S+ 0 0 175 -2,-0.4 2,-0.7 26,-0.2 28,-0.2 0.825 78.9 77.7 -57.5 -40.0 46.8 -6.5 22.0 121 121 A N > - 0 0 76 1,-0.2 4,-2.7 26,-0.1 5,-0.2 -0.703 67.4-154.1 -89.7 112.6 45.0 -9.2 19.9 122 122 A D H > S+ 0 0 86 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.905 94.5 51.3 -45.1 -56.0 42.9 -7.8 17.0 123 123 A E H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 113.3 44.3 -51.9 -50.0 40.4 -10.8 17.0 124 124 A T H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 113.4 51.8 -61.2 -44.5 39.7 -10.5 20.8 125 125 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.870 104.5 56.1 -62.5 -40.2 39.4 -6.7 20.5 126 126 A V H X S+ 0 0 32 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.921 109.3 47.1 -58.4 -43.2 36.9 -7.0 17.6 127 127 A A H X S+ 0 0 1 -4,-1.6 4,-3.4 -5,-0.2 -62,-0.3 0.906 112.7 48.8 -66.8 -41.5 34.6 -9.2 19.8 128 128 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.875 104.7 58.5 -65.5 -37.9 35.0 -6.8 22.8 129 129 A R H < S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.0 36.8 -60.3 -34.3 34.1 -3.9 20.6 130 130 A H H X S+ 0 0 10 -4,-1.3 4,-0.5 -3,-0.2 -2,-0.2 0.901 123.0 40.7 -79.0 -48.0 30.8 -5.7 19.9 131 131 A N H >X S+ 0 0 1 -4,-3.4 3,-1.1 -66,-0.2 4,-0.8 0.881 101.5 66.6 -73.4 -44.1 30.1 -7.2 23.3 132 132 A I H >X S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 4,-1.2 0.906 100.2 49.2 -53.0 -49.9 31.1 -4.4 25.7 133 133 A P H 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.762 108.7 55.0 -62.9 -22.6 28.3 -2.0 24.6 134 134 A L H << S+ 0 0 76 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.602 112.9 43.3 -79.2 -13.2 25.7 -4.9 25.0 135 135 A L H << S+ 0 0 25 -3,-1.7 2,-0.3 -4,-0.8 -1,-0.2 0.578 91.2 96.0-108.5 -14.5 26.9 -5.4 28.6 136 136 A L S < S- 0 0 31 -4,-1.2 3,-0.1 1,-0.1 4,-0.1 -0.616 72.4-121.0 -84.3 141.0 27.2 -1.9 30.0 137 137 A N > - 0 0 105 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 -0.041 51.4 -69.2 -59.6 173.2 24.4 -0.2 32.0 138 138 A E T 3 S+ 0 0 196 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.380 114.0 29.4 -70.2 147.8 23.0 3.0 30.7 139 139 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.779 81.7 139.2 79.6 30.5 25.1 6.2 30.7 140 140 A K < - 0 0 45 -3,-0.5 2,-0.5 -4,-0.1 -1,-0.2 -0.879 39.4-151.7-111.2 144.8 28.6 4.7 30.3 141 141 A D E +c 114 0A 103 -28,-2.2 -26,-2.3 -2,-0.4 2,-0.3 -0.944 23.3 170.1-118.7 110.4 31.4 6.1 28.1 142 142 A V E -c 115 0A 39 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.910 26.1-159.4-127.1 153.7 34.0 3.6 26.7 143 143 A N E -c 116 0A 72 -28,-1.8 -26,-2.9 -2,-0.3 2,-0.7 -0.995 14.1-160.0-127.0 121.4 36.9 3.6 24.2 144 144 A I E -c 117 0A 19 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.894 16.6-172.9-111.3 107.2 37.8 0.1 23.0 145 145 A L E -c 118 0A 26 -28,-3.2 -26,-2.1 -2,-0.7 2,-0.4 -0.807 17.9-142.9-111.6 142.5 41.3 0.0 21.5 146 146 A T E +c 119 0A 39 -2,-0.4 -26,-0.2 -28,-0.2 2,-0.2 -0.843 59.5 39.1 -98.2 135.7 43.3 -2.6 19.6 147 147 A G S S- 0 0 19 -28,-2.7 2,-0.4 -2,-0.4 -26,-0.1 -0.679 94.1 -37.5 129.7-175.6 47.1 -2.9 20.2 148 148 A D > - 0 0 29 -2,-0.2 3,-2.7 -28,-0.2 4,-0.3 -0.692 48.4-130.9 -83.1 134.0 49.8 -2.9 22.9 149 149 A F G > S+ 0 0 13 -52,-0.5 3,-1.6 -2,-0.4 7,-0.2 0.717 103.6 73.4 -54.4 -22.3 49.1 -0.2 25.6 150 150 A K G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.621 92.6 55.8 -71.7 -8.6 52.8 0.9 25.1 151 151 A E G < S+ 0 0 157 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.539 108.7 47.7 -93.9 -7.1 51.6 2.5 21.9 152 152 A Y S <> S+ 0 0 65 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 0.090 70.1 119.8-118.4 21.6 48.9 4.5 23.7 153 153 A L H > S+ 0 0 19 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.899 75.3 51.6 -60.4 -44.2 50.9 6.0 26.6 154 154 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.925 112.1 47.3 -57.1 -43.3 50.2 9.7 25.7 155 155 A L H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 113.2 48.4 -62.6 -44.6 46.4 9.0 25.5 156 156 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.937 112.7 48.0 -59.9 -46.5 46.5 7.2 28.8 157 157 A K H < S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 112.5 48.6 -63.3 -41.1 48.5 10.0 30.5 158 158 A T H < S+ 0 0 123 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.897 108.3 54.1 -63.5 -42.2 46.2 12.7 29.1 159 159 A F H < S- 0 0 40 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.863 88.9-162.2 -58.1 -37.7 43.1 10.7 30.3 160 160 A H < - 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