==== 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/DNA 12-MAY-06 2DPJ . COMPND 2 MOLECULE: 5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.T.NAIR,R.E.JOHNSON,L.PRAKASH,S.PRAKASH,A.K.AGGARWAL . 373 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 13.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 2 1 1 1 2 1 0 0 1 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 2 1 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 . 0 0 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 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 25 A A 0 0 170 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.0 27.1 29.3 -3.9 2 26 A S + 0 0 117 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.734 360.0 49.1-103.8 -78.7 23.9 28.8 -6.0 3 27 A S - 0 0 57 1,-0.0 2,-0.2 106,-0.0 -1,-0.2 -0.511 68.5-161.7 -76.4 126.1 21.7 25.5 -5.6 4 28 A R - 0 0 45 173,-0.5 2,-0.5 -2,-0.4 -1,-0.0 -0.654 20.3-149.0-107.2 155.8 20.9 24.5 -2.0 5 29 A V + 0 0 2 -2,-0.2 103,-2.3 143,-0.0 104,-0.5 -0.966 29.1 176.2-118.9 113.8 19.8 21.4 -0.2 6 30 A I E -AB 107 176A 0 170,-3.4 170,-2.1 -2,-0.5 2,-0.4 -0.900 16.4-156.7-120.0 144.0 17.7 22.2 2.8 7 31 A V E -AB 106 175A 0 99,-2.4 99,-1.8 -2,-0.4 2,-0.5 -0.945 1.1-160.0-118.1 141.5 15.9 20.1 5.3 8 32 A H E -AB 105 174A 0 166,-2.8 166,-1.8 -2,-0.4 2,-0.5 -0.970 10.3-160.9-115.7 123.6 12.9 21.1 7.4 9 33 A V E +AB 104 173A 0 95,-2.9 95,-1.9 -2,-0.5 2,-0.4 -0.903 10.7 179.3-108.6 133.6 12.2 18.9 10.5 10 34 A D E -AB 103 172A 36 162,-3.2 162,-3.5 -2,-0.5 93,-0.2 -0.973 19.5-136.4-140.6 114.0 8.8 19.0 12.0 11 35 A L E > - B 0 171A 7 91,-1.7 3,-0.5 -2,-0.4 160,-0.3 -0.297 24.3-101.9 -78.9 154.5 7.9 16.9 15.1 12 36 A D T 3 S- 0 0 8 158,-1.6 5,-0.4 1,-0.2 158,-0.1 -0.556 86.1 -32.6 -73.9 131.6 4.7 14.9 15.6 13 37 A C T >> S- 0 0 11 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 0.738 81.0-161.9 30.0 53.0 2.1 16.4 17.9 14 38 A F H <> S+ 0 0 10 -3,-0.5 4,-2.2 1,-0.3 5,-0.2 0.722 76.0 40.1 -39.5 -63.5 5.0 17.9 19.9 15 39 A Y H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.917 118.6 50.0 -60.8 -37.2 3.5 18.7 23.4 16 40 A A H <> S+ 0 0 0 -3,-0.8 4,-2.8 1,-0.2 -2,-0.2 0.940 107.5 53.6 -65.3 -44.5 1.5 15.5 23.3 17 41 A Q H X S+ 0 0 18 -4,-2.2 4,-2.1 -5,-0.4 -1,-0.2 0.855 108.7 49.7 -50.2 -48.1 4.5 13.5 22.5 18 42 A V H X S+ 0 0 9 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.901 111.9 47.1 -63.7 -40.3 6.3 15.0 25.4 19 43 A E H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 110.4 53.0 -66.5 -40.7 3.4 14.1 27.8 20 44 A M H < S+ 0 0 33 -4,-2.8 6,-0.3 1,-0.2 7,-0.2 0.859 109.1 50.1 -61.9 -34.3 3.2 10.5 26.4 21 45 A I H < S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.905 111.1 48.8 -70.5 -39.7 6.8 10.1 27.1 22 46 A S H < S+ 0 0 58 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.934 125.7 25.9 -62.9 -47.3 6.4 11.3 30.7 23 47 A N >< - 0 0 71 -4,-2.4 3,-2.6 1,-0.1 -1,-0.3 -0.835 69.1-169.2-122.4 88.6 3.4 9.1 31.5 24 48 A P G > S+ 0 0 83 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.798 80.4 77.0 -49.8 -30.9 3.6 6.0 29.2 25 49 A E G 3 S+ 0 0 147 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.577 86.0 63.4 -58.5 -9.6 -0.0 5.1 30.4 26 50 A L G X S+ 0 0 14 -3,-2.6 3,-0.8 -6,-0.3 -1,-0.3 0.492 79.8 103.9 -91.0 -6.9 -1.2 7.8 28.0 27 51 A K T < S+ 0 0 119 -3,-3.1 2,-0.8 -7,-0.2 -6,-0.0 -0.301 84.9 19.5 -65.7 168.1 0.1 6.0 25.0 28 52 A D T 3 S+ 0 0 135 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.278 107.9 104.7 52.5 -8.9 -2.5 4.2 22.8 29 53 A K S < S- 0 0 84 -2,-0.8 2,-0.3 -3,-0.8 17,-0.3 -0.755 87.0-106.0 -92.2 141.9 -5.1 6.6 24.5 30 54 A P - 0 0 12 0, 0.0 38,-2.4 0, 0.0 2,-0.4 -0.578 50.1-169.4 -71.2 123.3 -6.6 9.6 22.7 31 55 A L E -f 68 0B 0 -2,-0.3 12,-2.2 36,-0.2 2,-0.4 -0.971 18.6-175.4-131.4 127.2 -4.7 12.5 24.3 32 56 A G E -fG 69 42B 0 36,-3.0 38,-2.2 -2,-0.4 2,-0.6 -0.958 19.2-139.4-114.7 147.3 -5.2 16.3 24.2 33 57 A V E -fG 70 41B 0 8,-2.8 7,-1.9 -2,-0.4 8,-0.8 -0.878 25.6-154.3-110.6 128.1 -3.0 18.9 25.8 34 58 A Q E +fG 71 39B 49 36,-3.4 38,-4.0 -2,-0.6 2,-0.4 -0.700 23.5 178.2-115.6 144.4 -5.0 21.7 27.4 35 59 A Q E > S- G 0 38B 47 3,-2.5 3,-2.0 -2,-0.3 2,-0.3 -0.886 73.9 -47.0-140.4 107.4 -4.2 25.3 28.1 36 60 A K T 3 S- 0 0 73 -2,-0.4 36,-0.0 1,-0.3 37,-0.0 -0.524 124.8 -23.2 65.2-126.9 -7.2 27.2 29.7 37 61 A Y T 3 S+ 0 0 191 -2,-0.3 20,-1.9 -3,-0.1 2,-0.5 0.181 120.3 99.1 -97.1 19.6 -10.1 26.2 27.5 38 62 A L E < -GH 35 56B 61 -3,-2.0 -3,-2.5 18,-0.2 2,-1.1 -0.905 62.0-151.5-114.0 131.7 -7.9 25.3 24.5 39 63 A V E -GH 34 55B 0 16,-2.7 15,-1.5 -2,-0.5 16,-1.0 -0.834 21.9-172.8 -95.4 93.5 -6.8 21.9 23.3 40 64 A V E - 0 0 28 -7,-1.9 2,-0.3 -2,-1.1 14,-0.2 0.894 60.9 -13.6 -68.1 -37.7 -3.7 23.2 21.8 41 65 A T E -G 33 0B 15 -8,-0.8 -8,-2.8 12,-0.2 2,-0.3 -0.965 60.4-155.5-155.8 164.7 -2.7 19.8 20.2 42 66 A C E -G 32 0B 0 -2,-0.3 -10,-0.2 -10,-0.2 -29,-0.1 -0.987 27.4-104.9-147.0 148.7 -3.6 16.1 20.4 43 67 A N > - 0 0 6 -12,-2.2 4,-1.5 -2,-0.3 3,-0.2 -0.114 44.9 -97.0 -70.9-179.3 -1.8 12.9 19.7 44 68 A Y H > S+ 0 0 53 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.845 120.7 62.9 -74.1 -26.6 -2.7 10.9 16.5 45 69 A E H >> S+ 0 0 78 1,-0.2 4,-0.9 -16,-0.2 3,-0.7 0.946 107.0 47.0 -59.6 -39.8 -5.1 8.5 18.3 46 70 A A H 34>S+ 0 0 0 -17,-0.3 5,-1.5 1,-0.2 3,-0.4 0.877 103.3 58.5 -72.2 -35.3 -7.2 11.5 19.1 47 71 A R H ><5S+ 0 0 51 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.755 98.7 63.8 -64.3 -23.6 -7.2 13.1 15.6 48 72 A K H <<5S+ 0 0 160 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.890 100.8 50.4 -61.9 -40.6 -8.8 9.7 14.4 49 73 A L T 3<5S- 0 0 54 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.156 131.5 -92.5 -83.5 14.7 -11.9 10.5 16.6 50 74 A G T < 5S+ 0 0 25 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.352 75.9 144.5 95.5 -15.0 -12.2 14.0 15.0 51 75 A V < - 0 0 0 -5,-1.5 2,-0.3 12,-0.1 -1,-0.3 -0.354 30.8-165.6 -53.6 128.2 -10.1 16.2 17.6 52 76 A K > - 0 0 142 -2,-0.1 3,-0.8 -11,-0.1 2,-0.2 -0.793 30.5 -86.0-114.8 173.1 -8.3 18.9 15.6 53 77 A K T 3 S+ 0 0 105 -2,-0.3 -12,-0.2 1,-0.3 -13,-0.2 -0.530 111.2 15.3 -81.1 140.5 -5.5 21.1 16.8 54 78 A L T 3 S+ 0 0 111 -15,-1.5 2,-0.3 -14,-0.2 -1,-0.3 0.885 85.4 148.5 62.5 39.3 -6.6 24.2 18.6 55 79 A M E < -H 39 0B 33 -16,-1.0 -16,-2.7 -3,-0.8 -1,-0.2 -0.718 54.5-104.6 -88.1 151.4 -10.3 23.1 19.2 56 80 A N E > -H 38 0B 79 -2,-0.3 4,-1.6 -18,-0.2 -18,-0.2 -0.515 33.5-110.3 -61.6 150.3 -12.0 24.4 22.4 57 81 A V H > S+ 0 0 13 -20,-1.9 4,-2.6 2,-0.2 5,-0.2 0.899 117.4 54.2 -44.9 -48.0 -12.3 21.7 25.1 58 82 A R H >> S+ 0 0 197 1,-0.3 4,-2.0 -21,-0.2 3,-0.8 0.982 109.5 43.1 -55.6 -66.0 -16.1 21.6 24.6 59 83 A D H 34 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.751 117.2 51.8 -46.7 -28.9 -16.0 21.0 20.8 60 84 A A H 3X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.856 110.1 44.3 -83.6 -36.9 -13.2 18.4 21.6 61 85 A K H << S+ 0 0 96 -4,-2.6 -2,-0.2 -3,-0.8 -1,-0.2 0.623 114.0 49.3 -87.2 -15.9 -15.0 16.4 24.3 62 86 A E T < S+ 0 0 158 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.518 112.7 48.2 -93.6 -10.7 -18.3 16.2 22.3 63 87 A K T 4 S+ 0 0 136 -4,-0.5 -2,-0.2 -5,-0.3 -3,-0.1 0.706 138.2 9.4 -83.2 -27.9 -16.4 15.1 19.2 64 88 A C >< - 0 0 2 -4,-0.9 3,-1.6 -14,-0.1 -1,-0.2 -0.611 65.8-179.0-155.1 83.2 -14.7 12.6 21.5 65 89 A P T 3 S+ 0 0 107 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.680 83.6 61.6 -59.5 -19.4 -16.1 12.2 25.0 66 90 A Q T 3 S+ 0 0 128 2,-0.1 2,-0.4 -4,-0.0 -5,-0.1 0.316 75.3 129.6 -88.1 12.4 -13.4 9.6 25.9 67 91 A L < - 0 0 13 -3,-1.6 2,-0.2 -7,-0.1 -36,-0.2 -0.514 53.8-136.1 -77.4 124.6 -10.4 12.0 25.3 68 92 A V E -f 31 0B 51 -38,-2.4 -36,-3.0 -2,-0.4 2,-0.4 -0.555 21.3-158.1 -67.8 136.2 -7.7 12.3 28.1 69 93 A L E -f 32 0B 42 -2,-0.2 2,-0.3 -38,-0.2 -36,-0.2 -0.979 11.6-176.4-120.7 127.1 -6.6 15.9 28.8 70 94 A V E -f 33 0B 33 -38,-2.2 -36,-3.4 -2,-0.4 2,-0.4 -0.921 33.6-108.1-119.6 150.4 -3.3 17.1 30.5 71 95 A N E +f 34 0B 88 -2,-0.3 -36,-0.2 -38,-0.2 3,-0.2 -0.614 32.3 177.5 -78.7 126.6 -2.5 20.6 31.3 72 96 A G + 0 0 0 -38,-4.0 -37,-0.1 -2,-0.4 -1,-0.1 -0.010 44.1 112.8-116.4 33.2 0.1 22.2 29.1 73 97 A E + 0 0 83 -39,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.793 66.8 67.4 -73.7 -36.6 0.3 25.7 30.5 74 98 A D - 0 0 108 -3,-0.2 3,-0.2 1,-0.1 4,-0.2 -0.850 66.0-172.0 -89.0 118.8 3.7 25.4 31.9 75 99 A L > + 0 0 44 -2,-0.6 4,-3.0 1,-0.2 3,-0.3 0.343 51.4 109.6 -97.9 -2.9 6.0 25.1 28.9 76 100 A T H > S+ 0 0 48 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.863 81.8 41.6 -48.6 -52.9 9.2 24.3 30.7 77 101 A R H > S+ 0 0 114 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.849 115.6 50.2 -66.8 -32.3 9.5 20.6 29.7 78 102 A Y H > S+ 0 0 3 -3,-0.3 4,-2.7 -4,-0.2 -2,-0.2 0.939 111.6 50.1 -70.8 -36.5 8.5 21.4 26.1 79 103 A R H X S+ 0 0 37 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.942 110.2 48.2 -67.1 -44.7 11.1 24.1 25.9 80 104 A E H X S+ 0 0 115 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.927 113.4 47.3 -62.2 -42.2 13.9 21.9 27.3 81 105 A M H X S+ 0 0 38 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 107.3 58.5 -67.3 -37.1 13.0 19.1 24.8 82 106 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.891 108.2 44.7 -57.6 -39.8 12.9 21.7 22.0 83 107 A Y H X S+ 0 0 59 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.888 107.9 57.9 -76.1 -32.1 16.6 22.8 22.7 84 108 A K H X S+ 0 0 114 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 109.6 46.6 -61.1 -39.6 17.7 19.1 23.0 85 109 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.974 112.7 47.0 -67.3 -47.4 16.4 18.6 19.4 86 110 A T H X S+ 0 0 6 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.905 112.7 49.6 -61.5 -45.0 17.9 21.7 18.0 87 111 A E H X S+ 0 0 121 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.888 108.5 53.9 -67.5 -32.7 21.3 20.9 19.6 88 112 A L H >X S+ 0 0 9 -4,-2.0 3,-0.9 -5,-0.3 4,-0.8 0.969 111.1 45.2 -63.5 -48.3 21.2 17.4 18.2 89 113 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 3,-0.7 0.836 104.7 62.8 -65.8 -30.6 20.7 18.7 14.7 90 114 A E H 3< S+ 0 0 54 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.826 94.6 63.1 -67.6 -22.8 23.4 21.3 15.2 91 115 A E H << S+ 0 0 149 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.892 102.1 48.2 -66.5 -35.9 25.8 18.4 15.6 92 116 A F H << S- 0 0 54 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.946 139.0 -8.2 -67.4 -51.8 25.1 17.3 12.0 93 117 A S < - 0 0 18 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.951 69.4-132.4-151.1 128.5 25.6 20.9 10.7 94 118 A P S S+ 0 0 94 0, 0.0 2,-1.3 0, 0.0 -4,-0.1 0.656 84.8 79.7 -58.6 -24.1 26.1 24.0 12.8 95 119 A V + 0 0 56 12,-0.2 12,-0.9 176,-0.1 2,-0.5 -0.706 58.6 161.8 -98.1 96.1 23.7 26.4 11.2 96 120 A V E -C 106 0A 0 -2,-1.3 176,-2.3 10,-0.2 2,-0.6 -0.967 24.2-157.0-120.4 124.9 20.3 25.5 12.5 97 121 A E E -C 105 0A 36 8,-2.6 8,-2.5 -2,-0.5 2,-0.2 -0.905 10.3-152.0-100.0 125.0 17.3 27.8 12.3 98 122 A R E -C 104 0A 32 -2,-0.6 2,-0.4 6,-0.2 6,-0.3 -0.654 10.2-171.5 -88.5 152.3 14.4 27.2 14.8 99 123 A L E >> -C 103 0A 80 4,-2.4 4,-0.9 1,-0.3 3,-0.6 -0.915 66.2 -34.7-140.1 108.4 10.8 28.1 14.1 100 124 A G T 34 S- 0 0 52 -2,-0.4 3,-0.3 1,-0.2 -1,-0.3 -0.181 100.9 -55.4 66.2-166.0 8.6 27.7 17.2 101 125 A F T 34 S+ 0 0 60 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.485 133.1 35.3 -87.0 -9.8 9.4 24.9 19.6 102 126 A D T <4 S+ 0 0 31 -3,-0.6 -91,-1.7 -91,-0.1 2,-0.4 0.336 96.9 78.4-133.6 13.5 9.3 22.0 17.2 103 127 A E E < +AC 10 99A 27 -4,-0.9 -4,-2.4 -3,-0.3 2,-0.4 -0.948 45.6 176.0-122.9 142.2 10.6 23.0 13.7 104 128 A N E -AC 9 98A 2 -95,-1.9 -95,-2.9 -2,-0.4 2,-0.4 -0.996 15.3-154.0-139.1 138.6 14.2 23.4 12.6 105 129 A F E -AC 8 97A 10 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.4 -0.910 13.8-173.1-107.2 144.1 15.7 24.2 9.2 106 130 A V E -AC 7 96A 0 -99,-1.8 -99,-2.4 -2,-0.4 2,-0.9 -0.998 23.3-135.6-136.1 133.8 19.2 23.0 8.4 107 131 A D E +A 6 0A 39 -12,-0.9 3,-0.4 -2,-0.4 4,-0.3 -0.819 24.8 177.9 -89.5 105.4 21.2 23.9 5.3 108 132 A L > + 0 0 0 -103,-2.3 4,-3.1 -2,-0.9 5,-0.2 0.315 47.0 110.0 -85.1 3.2 22.7 20.5 4.3 109 133 A T H > S+ 0 0 29 -104,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.885 80.5 41.8 -57.3 -38.3 24.3 21.9 1.2 110 134 A E H > S+ 0 0 176 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.920 115.3 51.2 -73.5 -39.6 27.9 21.6 2.5 111 135 A M H > S+ 0 0 36 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.905 109.4 49.1 -67.6 -42.6 27.3 18.3 4.0 112 136 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.937 110.5 50.1 -59.2 -49.3 25.8 16.8 0.8 113 137 A E H X S+ 0 0 66 -4,-1.9 4,-1.8 -5,-0.2 5,-0.2 0.932 109.9 50.6 -60.0 -44.6 28.7 18.0 -1.4 114 138 A K H X S+ 0 0 150 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.886 110.0 50.2 -64.0 -37.0 31.4 16.5 1.0 115 139 A R H X S+ 0 0 75 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.849 109.4 53.6 -61.6 -36.8 29.5 13.2 1.0 116 140 A L H >< S+ 0 0 21 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.877 104.9 51.3 -66.4 -35.6 29.5 13.3 -2.8 117 141 A Q H 3< S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.670 105.3 60.4 -79.4 -13.6 33.2 13.9 -3.1 118 142 A Q H 3< S+ 0 0 142 -4,-0.8 2,-0.4 -5,-0.2 -1,-0.2 0.779 88.7 83.1 -77.5 -28.2 33.7 10.8 -0.8 119 143 A L S << S- 0 0 61 -4,-0.8 5,-0.0 -3,-0.5 2,-0.0 -0.680 80.6-127.5 -80.9 129.5 31.9 8.5 -3.3 120 144 A Q > - 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0 0 62 -2,-0.6 -20,-1.1 -4,-0.4 2,-0.3 -0.932 58.3-126.2-150.9-179.4 7.8 10.1 7.8 194 218 A Q E - e 0 173A 5 -2,-0.3 -62,-2.4 -22,-0.3 2,-0.3 -0.955 11.9-164.3-148.2 145.0 9.8 12.2 5.3 195 219 A T E -de 132 174A 2 -22,-1.5 -20,-2.3 -2,-0.3 2,-0.4 -0.978 7.5-152.1-130.9 145.6 9.4 13.4 1.7 196 220 A V E -de 133 175A 1 -64,-1.9 -62,-3.0 -2,-0.3 2,-0.6 -0.949 11.1-144.2-120.3 140.0 11.9 14.9 -0.8 197 221 A L - 0 0 5 -22,-3.0 -20,-0.2 -2,-0.4 -62,-0.1 -0.903 6.8-154.8-110.0 119.6 10.9 17.3 -3.6 198 222 A L > - 0 0 0 -2,-0.6 3,-2.2 -64,-0.3 4,-0.2 -0.586 32.1-111.1 -86.1 150.9 12.6 17.1 -7.0 199 223 A P G > S+ 0 0 54 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.882 112.2 65.6 -54.0 -37.2 12.6 20.5 -9.0 200 224 A E G 3 S+ 0 0 115 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.637 102.0 51.9 -62.8 -12.2 10.2 19.2 -11.7 201 225 A S G <> S+ 0 0 4 -3,-2.2 4,-2.3 1,-0.1 -1,-0.3 0.330 77.3 100.9-106.0 5.2 7.5 18.9 -9.1 202 226 A C H <> S+ 0 0 22 -3,-2.4 4,-2.7 1,-0.2 5,-0.3 0.929 83.8 45.7 -59.0 -47.8 7.7 22.4 -7.6 203 227 A Q H > S+ 0 0 80 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.922 110.8 55.1 -64.8 -38.9 4.7 23.9 -9.4 204 228 A H H > S+ 0 0 94 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 111.6 43.8 -56.5 -47.7 2.6 20.8 -8.5 205 229 A L H >X S+ 0 0 3 -4,-2.3 4,-0.7 2,-0.2 3,-0.6 0.963 115.6 47.0 -67.7 -45.1 3.4 21.2 -4.8 206 230 A I H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.925 115.0 46.1 -68.9 -35.1 2.8 25.0 -4.8 207 231 A H H 3< S+ 0 0 50 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.716 95.6 75.1 -80.0 -9.1 -0.5 24.6 -6.8 208 232 A S H << S+ 0 0 55 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.767 77.8 97.9 -72.2 -19.9 -1.6 21.7 -4.5 209 233 A L << - 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0 0 41 1,-0.1 4,-1.7 2,-0.0 5,-0.2 -0.423 30.4-147.0 -62.8 124.0 -0.2 42.6 -11.7 242 266 A P H > S+ 0 0 66 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.936 96.6 48.9 -54.8 -46.7 3.1 43.3 -10.0 243 267 A K H > S+ 0 0 159 2,-0.2 4,-4.1 1,-0.2 11,-0.0 0.902 107.4 51.4 -60.6 -46.7 2.5 47.1 -9.9 244 268 A I H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.922 119.2 39.4 -57.9 -47.6 -1.0 47.0 -8.4 245 269 A L H >X S+ 0 0 2 -4,-1.7 3,-1.1 1,-0.1 4,-0.9 0.822 113.8 52.2 -64.4 -50.6 0.4 44.7 -5.6 246 270 A E H >X S+ 0 0 72 -4,-3.7 2,-1.2 1,-0.3 4,-1.2 0.988 113.7 47.6 -46.2 -59.8 3.7 46.7 -5.3 247 271 A K H 3< S+ 0 0 83 -4,-4.1 -1,-0.3 1,-0.2 -2,-0.1 -0.230 115.4 43.8 -83.8 45.8 1.5 49.8 -4.9 248 272 A E H <4 S+ 0 0 115 -2,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.389 123.5 24.3-159.9 -13.1 -0.9 48.2 -2.3 249 273 A L H S+ 0 0 101 3,-0.1 4,-2.1 2,-0.1 5,-0.2 0.862 127.7 51.4 -54.7 -34.3 7.4 47.1 -2.4 252 276 A S H >> S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.999 110.4 39.8 -71.7 -69.7 8.6 44.7 0.3 253 277 A V H 3X S+ 0 0 44 -4,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.779 121.5 48.3 -52.1 -27.2 5.5 42.7 1.2 254 278 A A H 3X S+ 0 0 1 -4,-1.3 4,-1.3 -8,-0.2 -1,-0.3 0.885 108.9 45.4 -87.8 -35.3 4.6 42.6 -2.4 255 279 A Q H <>S+ 0 0 98 -4,-1.0 5,-2.2 1,-0.2 3,-1.4 0.911 109.2 52.2 -56.3 -48.2 8.1 35.2 -5.3 260 284 A L H ><5S+ 0 0 11 -4,-2.2 3,-2.5 1,-0.3 -2,-0.2 0.893 99.4 64.4 -61.3 -33.2 6.9 32.7 -2.8 261 285 A S H 3<5S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.765 105.3 47.7 -65.0 -21.9 3.7 32.2 -4.9 262 286 A F T <<5S- 0 0 66 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.494 123.5-106.0 -88.0 -5.5 6.1 30.8 -7.5 263 287 A G T < 5S+ 0 0 4 -3,-2.5 2,-0.4 -4,-0.4 -3,-0.2 0.589 79.4 131.0 88.9 7.9 8.0 28.6 -5.0 264 288 A E < + 0 0 93 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.846 18.3 151.7-106.3 132.8 11.0 30.9 -5.1 265 289 A D - 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