==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-11 3QV2 . COMPND 2 MOLECULE: 5-CYTOSINE DNA METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR E.C.SCHULZ,H.M.ROTH,S.ANKRI,R.FICNER . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.9 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 . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 2 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 3 A Q 0 0 236 0, 0.0 26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.6 -2.1 -17.2 43.3 2 4 A K - 0 0 118 316,-0.1 2,-0.3 1,-0.1 316,-0.0 -0.285 360.0-145.5 -67.6 154.2 -0.4 -20.0 41.3 3 5 A Q - 0 0 91 24,-0.1 2,-0.6 2,-0.0 26,-0.1 -0.887 11.1-141.7-128.0 152.5 2.8 -19.1 39.4 4 6 A V E -a 29 0A 3 24,-1.0 26,-1.8 -2,-0.3 2,-0.6 -0.926 18.7-179.5-115.7 107.2 4.5 -20.0 36.2 5 7 A N E -a 30 0A 26 -2,-0.6 66,-1.7 24,-0.2 67,-1.5 -0.917 15.2-163.3-109.5 111.7 8.3 -20.3 36.4 6 8 A V E -ab 31 72A 0 24,-3.0 26,-2.4 -2,-0.6 2,-0.7 -0.776 23.0-154.3-107.2 134.3 9.8 -21.2 33.1 7 9 A I E -ab 32 73A 3 65,-2.6 67,-1.9 -2,-0.4 2,-1.5 -0.918 21.2-152.3 -95.9 110.9 13.2 -22.6 32.0 8 10 A E E > -ab 33 74A 0 24,-1.2 26,-2.4 -2,-0.7 3,-0.9 -0.609 14.0-165.0 -89.7 81.5 13.6 -21.3 28.4 9 11 A F E 3 S+ab 34 75A 0 65,-1.9 67,-0.7 -2,-1.5 26,-0.1 -0.394 74.8 7.5 -67.3 142.0 15.8 -24.0 26.8 10 12 A F T 3 S+ 0 0 1 24,-0.9 -1,-0.3 65,-0.2 25,-0.2 0.923 84.1 179.3 50.7 48.3 17.4 -23.0 23.5 11 13 A S X> + 0 0 0 23,-1.7 3,-2.6 -3,-0.9 4,-0.6 0.732 4.7 171.6 -56.4 -30.3 15.9 -19.5 24.2 12 14 A G T 34 S- 0 0 2 1,-0.3 32,-0.3 22,-0.2 -1,-0.2 -0.355 73.8 -18.2 56.5-119.5 17.3 -18.0 21.0 13 15 A I T 34 S- 0 0 2 309,-2.6 -1,-0.3 284,-0.2 -2,-0.1 0.289 105.0 -91.6-102.2 8.2 15.7 -14.5 20.7 14 16 A G T <> S+ 0 0 0 -3,-2.6 4,-2.7 -4,-0.1 5,-0.2 0.806 73.0 148.3 90.5 33.8 12.9 -15.2 23.1 15 17 A G H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 5,-0.1 0.903 75.5 48.2 -64.4 -42.9 10.2 -16.5 20.8 16 18 A L H > S+ 0 0 0 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.895 114.0 46.8 -66.2 -41.1 8.7 -18.8 23.4 17 19 A R H > S+ 0 0 20 2,-0.2 4,-2.6 -6,-0.2 -2,-0.2 0.946 111.7 51.0 -63.0 -49.6 8.7 -16.1 26.0 18 20 A S H X S+ 0 0 10 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.899 107.5 54.1 -54.3 -44.9 7.2 -13.6 23.6 19 21 A S H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.915 110.8 45.2 -57.2 -46.7 4.4 -16.1 22.8 20 22 A Y H < S+ 0 0 11 -4,-1.8 3,-0.5 1,-0.2 5,-0.3 0.917 112.1 51.6 -62.9 -44.9 3.5 -16.5 26.4 21 23 A E H < S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.788 112.4 44.8 -67.2 -29.0 3.6 -12.8 27.2 22 24 A R H < S+ 0 0 106 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.623 98.5 93.6 -89.4 -13.9 1.3 -11.9 24.3 23 25 A S S < S- 0 0 8 -4,-1.0 3,-0.4 -3,-0.5 286,-0.1 -0.109 86.3-115.2 -71.3 174.8 -1.1 -14.8 25.1 24 26 A S S S+ 0 0 75 284,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.251 86.1 107.3 -97.4 11.5 -4.2 -14.4 27.3 25 27 A I - 0 0 22 -5,-0.3 -1,-0.2 283,-0.1 3,-0.1 0.897 57.6-170.7 -54.7 -41.7 -2.9 -16.7 30.0 26 28 A N + 0 0 138 -3,-0.4 2,-0.6 -6,-0.3 -1,-0.1 0.698 34.6 131.1 55.4 25.2 -2.4 -13.5 32.1 27 29 A I - 0 0 49 -24,-0.0 -1,-0.2 -26,-0.0 -2,-0.1 -0.948 64.3-117.5-101.1 124.1 -0.5 -15.2 34.9 28 30 A N - 0 0 151 -2,-0.6 -24,-1.0 -3,-0.1 2,-0.3 -0.374 43.5-174.2 -59.2 134.5 2.7 -13.3 35.7 29 31 A A E -a 4 0A 28 -26,-0.1 2,-0.3 -2,-0.1 -24,-0.2 -0.870 23.3-136.7-133.4 162.2 5.7 -15.5 34.9 30 32 A T E -a 5 0A 61 -26,-1.8 -24,-3.0 -2,-0.3 2,-0.4 -0.903 18.3-153.2-116.8 150.9 9.5 -15.7 35.3 31 33 A F E -a 6 0A 7 -2,-0.3 -24,-0.2 -26,-0.2 -26,-0.0 -0.984 13.9-171.3-130.6 132.6 11.9 -16.9 32.6 32 34 A I E -a 7 0A 43 -26,-2.4 -24,-1.2 -2,-0.4 2,-0.2 -0.868 22.8-157.3-120.5 96.1 15.4 -18.4 32.8 33 35 A P E -a 8 0A 3 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.491 8.0-165.7 -78.5 137.4 16.8 -18.6 29.2 34 36 A F E +ac 9 53A 1 -26,-2.4 -23,-1.7 18,-0.2 -24,-0.9 -0.991 26.9 133.1-123.1 125.0 19.6 -21.1 28.3 35 37 A D - 0 0 1 18,-2.0 21,-0.1 -2,-0.4 20,-0.0 -0.913 42.4-152.4-168.5 143.7 21.5 -20.7 25.0 36 38 A I + 0 0 78 -2,-0.3 2,-0.8 19,-0.0 18,-0.1 0.492 66.0 108.4 -97.3 -6.3 25.1 -20.8 23.8 37 39 A N > - 0 0 58 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.640 53.6-162.3 -78.4 107.3 24.6 -18.5 20.8 38 40 A E H > S+ 0 0 145 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.877 88.7 47.1 -57.9 -43.1 26.3 -15.2 21.7 39 41 A I H > S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.937 112.8 48.5 -65.9 -47.4 24.5 -13.2 19.0 40 42 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.922 111.3 51.1 -57.9 -46.4 21.1 -14.7 19.9 41 43 A N H X S+ 0 0 14 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.884 103.3 58.5 -59.5 -41.8 21.7 -14.0 23.5 42 44 A K H X S+ 0 0 100 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.880 108.7 45.6 -57.2 -39.6 22.6 -10.3 22.8 43 45 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 5,-0.2 0.923 113.7 49.4 -67.7 -45.0 19.2 -9.8 21.2 44 46 A Y H X S+ 0 0 0 -4,-2.2 4,-3.1 -32,-0.3 5,-0.3 0.955 114.0 44.1 -57.6 -53.7 17.5 -11.6 24.1 45 47 A S H X S+ 0 0 39 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.864 110.4 56.5 -61.6 -38.4 19.3 -9.6 26.8 46 48 A K H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.896 118.4 32.1 -59.3 -42.0 18.7 -6.4 24.8 47 49 A N H < S+ 0 0 36 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.817 130.4 32.5 -87.4 -34.1 14.9 -6.9 24.8 48 50 A F H < S- 0 0 24 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.454 90.8-136.3-107.2 -3.0 14.3 -8.7 28.1 49 51 A K < + 0 0 156 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.2 0.825 67.2 113.4 52.2 36.1 17.1 -7.1 30.2 50 52 A E - 0 0 73 -6,-0.2 -2,-0.2 -5,-0.1 2,-0.2 -0.990 69.6-109.8-137.3 146.2 18.1 -10.5 31.6 51 53 A E - 0 0 154 -2,-0.3 2,-0.5 -3,-0.1 -9,-0.0 -0.499 26.4-131.1 -79.0 142.0 21.2 -12.5 31.2 52 54 A V - 0 0 7 -2,-0.2 2,-0.5 -20,-0.1 -18,-0.2 -0.789 19.2-123.6 -93.2 130.8 21.2 -15.8 29.3 53 55 A Q B -c 34 0A 75 -20,-2.7 -18,-2.0 -2,-0.5 -1,-0.0 -0.611 20.1-167.4 -74.2 121.6 22.7 -18.9 30.8 54 56 A V + 0 0 95 -2,-0.5 2,-0.2 -20,-0.2 -1,-0.1 0.289 39.1 134.3 -96.1 8.8 25.4 -20.2 28.5 55 57 A K - 0 0 92 1,-0.1 2,-0.1 2,-0.1 5,-0.1 -0.438 67.4-108.4 -59.7 123.2 25.8 -23.5 30.3 56 58 A N >> - 0 0 61 -2,-0.2 3,-1.2 1,-0.2 4,-0.9 -0.342 18.4-145.6 -61.9 127.7 25.9 -26.2 27.6 57 59 A L T 34 S+ 0 0 8 1,-0.3 -1,-0.2 2,-0.2 47,-0.1 0.533 90.2 76.6 -74.2 -5.9 22.7 -28.2 27.6 58 60 A D T 34 S+ 0 0 44 1,-0.2 -1,-0.3 45,-0.1 -2,-0.1 0.812 116.3 11.6 -69.8 -30.3 24.6 -31.3 26.6 59 61 A S T <4 S+ 0 0 75 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.308 83.4 144.5-134.8 5.7 26.0 -31.8 30.1 60 62 A I < - 0 0 0 -4,-0.9 2,-0.0 -5,-0.1 -3,-0.0 -0.250 50.1-118.4 -55.8 134.5 24.1 -29.5 32.4 61 63 A S > - 0 0 57 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.319 7.6-124.3 -77.5 156.8 23.6 -31.2 35.8 62 64 A I H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.924 110.7 59.0 -60.5 -45.4 20.3 -32.0 37.4 63 65 A K H > S+ 0 0 173 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 104.6 48.0 -51.9 -48.7 21.3 -30.0 40.5 64 66 A Q H > S+ 0 0 54 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.902 114.2 46.9 -62.8 -41.9 21.8 -26.8 38.5 65 67 A I H >< S+ 0 0 4 -4,-1.6 3,-1.0 1,-0.2 5,-0.4 0.921 114.0 46.9 -64.6 -44.4 18.4 -27.2 36.8 66 68 A E H >< S+ 0 0 67 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.795 99.6 68.1 -70.9 -28.2 16.6 -28.0 40.0 67 69 A S H 3< S+ 0 0 73 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.742 89.5 66.9 -62.2 -22.3 18.2 -25.1 41.8 68 70 A L T << S- 0 0 47 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.709 93.5-147.8 -71.1 -20.9 16.1 -22.9 39.5 69 71 A N < + 0 0 128 -3,-1.8 2,-0.2 -4,-0.3 -3,-0.1 0.906 39.6 157.1 51.5 47.4 13.0 -24.1 41.3 70 72 A C - 0 0 23 -5,-0.4 -64,-0.2 44,-0.1 -1,-0.2 -0.615 38.7-161.7-100.1 162.6 11.0 -23.8 38.1 71 73 A N + 0 0 19 -66,-1.7 46,-1.4 -2,-0.2 47,-1.1 0.179 68.1 62.4-127.4 14.7 7.8 -25.6 37.2 72 74 A T E -bd 6 118A 0 -67,-1.5 -65,-2.6 44,-0.2 2,-0.5 -0.999 57.1-155.2-147.4 140.2 7.7 -25.2 33.4 73 75 A W E -bd 7 119A 4 45,-2.5 47,-2.8 -2,-0.3 2,-0.4 -0.962 11.3-180.0-118.2 117.3 9.8 -26.1 30.4 74 76 A F E +bd 8 120A 0 -67,-1.9 -65,-1.9 -2,-0.5 2,-0.3 -0.952 19.7 155.6-109.2 136.3 9.7 -24.2 27.2 75 77 A M E -bd 9 121A 0 45,-2.0 47,-1.9 -2,-0.4 -65,-0.2 -0.963 36.9-174.1-162.7 141.0 11.9 -25.4 24.3 76 78 A S - 0 0 2 -67,-0.7 3,-0.1 -2,-0.3 47,-0.1 -0.750 34.2-153.8-131.4 86.3 12.5 -25.5 20.6 77 79 A P - 0 0 4 0, 0.0 21,-0.1 0, 0.0 -2,-0.0 -0.071 37.5 -71.0 -58.5 157.0 15.5 -27.8 20.1 78 80 A P - 0 0 6 0, 0.0 23,-0.1 0, 0.0 4,-0.0 -0.230 44.0-158.6 -48.0 135.6 17.9 -27.6 17.2 79 81 A C > + 0 0 50 1,-0.1 3,-1.6 -3,-0.1 19,-0.0 0.498 66.4 94.7-102.6 -6.8 15.9 -28.8 14.1 80 82 A Q T 3 S+ 0 0 83 1,-0.3 -1,-0.1 17,-0.1 3,-0.1 0.884 77.6 59.5 -53.1 -46.3 18.9 -29.8 11.8 81 83 A P T 3 S+ 0 0 0 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.653 90.4 80.9 -59.9 -13.7 18.9 -33.5 12.8 82 84 A Y < + 0 0 6 -3,-1.6 2,-0.3 4,-0.1 44,-0.3 -0.505 59.2 110.8-106.9 66.0 15.3 -33.9 11.6 83 85 A N S > S- 0 0 59 -2,-0.9 4,-2.7 -3,-0.1 5,-0.2 -0.846 76.6-107.3-121.2 166.4 15.3 -34.3 7.8 84 86 A N H > S+ 0 0 110 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.826 116.0 58.3 -62.6 -32.9 14.5 -37.4 5.7 85 87 A S H 4 S+ 0 0 68 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.963 115.4 33.2 -60.4 -54.2 18.1 -37.9 4.8 86 88 A I H 4>S+ 0 0 29 1,-0.2 5,-2.7 2,-0.2 6,-0.5 0.876 121.7 48.9 -70.3 -40.0 19.3 -38.2 8.4 87 89 A M H ><5S+ 0 0 23 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.834 105.0 55.6 -74.2 -34.4 16.2 -39.9 9.7 88 90 A S T 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.656 109.9 49.4 -71.9 -14.0 15.9 -42.6 7.0 89 91 A K T 3 5S- 0 0 120 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.333 113.4-121.3-102.3 2.7 19.5 -43.6 8.0 90 92 A H T < 5S+ 0 0 125 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.867 77.3 125.2 58.7 40.0 18.6 -43.7 11.7 91 93 A K >< + 0 0 132 -5,-2.7 4,-0.5 2,-0.1 3,-0.4 0.500 46.1 80.8-106.0 -9.1 21.3 -41.0 12.3 92 94 A D T >4 S+ 0 0 1 -6,-0.5 3,-0.6 1,-0.2 6,-0.2 0.870 88.8 55.2 -65.6 -37.5 19.1 -38.5 14.1 93 95 A I T 34 S+ 0 0 32 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.736 115.3 39.3 -69.4 -22.3 19.3 -40.3 17.4 94 96 A N T 34 S+ 0 0 126 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.403 86.4 122.3-106.5 -0.5 23.1 -40.2 17.2 95 97 A D X< - 0 0 16 -3,-0.6 3,-2.2 -4,-0.5 4,-0.4 -0.479 63.0-137.8 -67.0 126.2 23.3 -36.7 15.8 96 98 A P G > S+ 0 0 96 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.742 101.3 63.1 -57.8 -26.6 25.4 -34.4 18.2 97 99 A R G 3 S+ 0 0 111 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.577 102.0 51.1 -76.8 -9.5 22.9 -31.6 17.8 98 100 A A G <> S+ 0 0 0 -3,-2.2 4,-2.1 -6,-0.2 5,-0.3 0.482 84.4 92.0 -99.6 -7.1 20.2 -33.7 19.4 99 101 A K H <> S+ 0 0 109 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.1 0.838 82.9 53.0 -57.5 -37.3 22.4 -34.6 22.4 100 102 A S H > S+ 0 0 5 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.911 110.5 44.1 -67.8 -44.1 21.1 -31.6 24.4 101 103 A V H > S+ 0 0 1 -4,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.831 114.2 50.0 -73.9 -32.1 17.4 -32.5 24.1 102 104 A L H X S+ 0 0 7 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.882 108.3 55.1 -68.8 -38.8 18.0 -36.2 24.7 103 105 A H H X>S+ 0 0 22 -4,-1.9 4,-2.4 -5,-0.3 5,-0.9 0.921 104.4 53.1 -58.3 -47.3 20.0 -35.2 27.8 104 106 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 4,-0.5 0.868 119.1 33.3 -58.9 -40.2 17.2 -33.2 29.3 105 107 A Y H <5S+ 0 0 0 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.813 125.0 41.0 -90.0 -33.1 14.6 -36.0 29.0 106 108 A R H <5S+ 0 0 100 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.937 130.2 22.0 -75.6 -49.7 16.9 -39.0 29.6 107 109 A D T <5S+ 0 0 77 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.676 130.9 29.3-100.5 -21.4 19.1 -37.6 32.4 108 110 A I T >>4 - 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0 0 12 -3,-2.0 -1,-0.3 -5,-0.1 2,-0.0 -0.571 56.4-139.3 -76.4 125.7 24.4 -6.6 14.5 290 292 A T > - 0 0 79 -2,-0.4 4,-1.8 -3,-0.1 5,-0.2 -0.259 26.5-104.5 -75.1 168.0 24.2 -6.7 10.7 291 293 A D H > S+ 0 0 51 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.894 121.1 57.1 -60.6 -40.8 21.0 -7.6 8.8 292 294 A K H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 106.1 48.5 -54.2 -51.3 22.4 -11.1 8.0 293 295 A Q H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 114.9 45.6 -59.0 -38.7 22.9 -11.8 11.7 294 296 A Q H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.903 111.0 52.3 -71.7 -42.9 19.3 -10.6 12.4 295 297 A Y H X S+ 0 0 6 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.908 108.4 52.3 -56.3 -44.5 17.9 -12.6 9.5 296 298 A Q H X S+ 0 0 83 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.920 112.2 43.8 -60.8 -47.3 19.6 -15.7 10.7 297 299 A C H >< S+ 0 0 14 -4,-1.7 3,-0.5 2,-0.2 4,-0.3 0.936 116.2 47.3 -63.6 -47.9 18.1 -15.4 14.2 298 300 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.896 108.1 55.7 -61.0 -42.2 14.7 -14.5 12.9 299 301 A G H 3< S+ 0 0 5 -4,-3.0 -69,-0.4 1,-0.3 -1,-0.2 0.787 110.9 46.0 -60.7 -27.8 14.8 -17.4 10.4 300 302 A N T << S+ 0 0 55 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.413 101.4 86.5 -94.8 0.1 15.4 -19.7 13.3 301 303 A S S < S- 0 0 2 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.1 0.347 72.2-111.0 -81.8-146.4 12.7 -18.2 15.5 302 304 A V - 0 0 0 -26,-0.1 2,-0.9 20,-0.1 -1,-0.1 -0.814 25.0 -91.6-142.6 176.8 9.0 -19.1 15.7 303 305 A S > - 0 0 3 -2,-0.2 4,-2.3 1,-0.2 3,-0.4 -0.829 31.6-171.0 -97.6 94.6 5.4 -17.8 15.1 304 306 A C H > S+ 0 0 0 -28,-2.5 4,-2.2 -2,-0.9 -27,-0.2 0.822 83.7 63.3 -55.1 -32.7 4.5 -16.2 18.4 305 307 A F H > S+ 0 0 17 -29,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.959 109.1 37.3 -54.0 -55.9 1.0 -15.9 17.0 306 308 A V H > S+ 0 0 2 -3,-0.4 4,-1.9 1,-0.2 3,-0.4 0.935 116.4 50.6 -65.1 -49.9 0.5 -19.7 16.8 307 309 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.833 103.1 61.8 -61.2 -33.7 2.4 -20.6 19.9 308 310 A A H X S+ 0 0 5 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.922 107.4 43.6 -57.9 -45.6 0.4 -18.1 21.9 309 311 A Q H X S+ 0 0 13 -4,-1.2 4,-1.1 -3,-0.4 -1,-0.2 0.881 114.4 49.4 -68.2 -39.0 -2.9 -19.9 21.1 310 312 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.841 109.4 51.8 -71.1 -34.1 -1.3 -23.4 21.8 311 313 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.892 103.2 58.2 -67.8 -40.2 0.1 -22.3 25.1 312 314 A E H < S+ 0 0 52 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.843 110.6 45.2 -57.1 -33.3 -3.3 -21.0 26.2 313 315 A Y H >< S+ 0 0 14 -4,-1.1 3,-2.0 2,-0.2 -2,-0.2 0.943 109.5 53.3 -72.6 -51.2 -4.5 -24.5 25.6 314 316 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.826 116.0 40.5 -51.3 -36.8 -1.5 -26.1 27.4 315 317 A F T >< S+ 0 0 7 -4,-2.4 3,-2.1 1,-0.2 -1,-0.3 0.212 78.5 111.1-100.9 14.4 -2.2 -24.0 30.5 316 318 A D T < + 0 0 15 -3,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.483 68.0 69.9 -71.5 0.8 -6.0 -24.3 30.4 317 319 A D T 3 S+ 0 0 50 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.435 87.2 67.1 -91.8 -1.2 -5.8 -26.4 33.6 318 320 A L S < S+ 0 0 59 -3,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.405 93.8 67.6 -99.1 0.2 -4.7 -23.3 35.5 319 321 A K 0 0 111 -3,-0.4 -294,-0.0 1,-0.1 -3,-0.0 -0.370 360.0 360.0-109.2-171.5 -8.1 -21.4 35.2 320 322 A E 0 0 209 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.516 360.0 360.0 64.1 360.0 -11.6 -21.8 36.5 321 ! 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 0.0 322 323 A X 0 0 79 0, 0.0 -309,-2.6 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 360.0 14.1 -19.7 19.7