==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 05-SEP-06 2I9G . COMPND 2 MOLECULE: 5'-D(P*GP*TP*CP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,S.H.WILSON,W.A.BEARD,L.C.PEDERSEN . 325 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 2 0.6 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 3 0 2 1 2 0 0 2 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 9 A E > 0 0 175 0, 0.0 4,-0.9 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -49.7 21.9 -14.9 11.7 2 10 A T T 4 + 0 0 130 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.782 360.0 72.5 -69.8 -26.0 24.4 -17.6 12.7 3 11 A L T 4 S- 0 0 64 1,-0.2 -1,-0.2 2,-0.1 42,-0.1 0.929 125.5 -8.9 -54.6 -61.0 25.8 -17.2 9.2 4 12 A N T > S+ 0 0 12 35,-0.1 4,-2.6 40,-0.1 5,-0.2 0.016 91.9 125.4-132.9 29.5 27.5 -13.9 9.4 5 13 A G H X S+ 0 0 6 -4,-0.9 4,-2.6 1,-0.2 5,-0.3 0.849 74.0 56.3 -57.9 -39.2 26.4 -12.6 12.8 6 14 A G H > S+ 0 0 35 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.947 111.3 43.7 -58.8 -46.0 29.9 -12.0 13.9 7 15 A I H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.962 115.9 45.4 -64.9 -53.1 30.6 -9.8 10.9 8 16 A T H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.848 111.6 52.1 -62.5 -35.6 27.3 -7.8 11.1 9 17 A D H X S+ 0 0 104 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.935 111.6 49.3 -63.7 -43.6 27.6 -7.3 14.9 10 18 A M H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.921 111.3 47.6 -58.9 -49.3 31.1 -6.0 14.3 11 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.925 112.1 49.6 -62.8 -40.6 29.9 -3.6 11.5 12 20 A T H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.865 110.0 50.4 -67.0 -37.0 27.0 -2.3 13.6 13 21 A E H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.918 112.1 47.6 -67.7 -40.0 29.3 -1.6 16.6 14 22 A L H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 109.6 55.8 -64.3 -41.3 31.7 0.2 14.4 15 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.917 106.8 48.4 -55.7 -47.9 28.6 2.1 13.0 16 24 A N H X S+ 0 0 55 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.916 109.3 51.8 -62.5 -43.2 27.6 3.3 16.5 17 25 A F H X>S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 5,-2.2 0.913 108.8 51.5 -61.7 -39.2 31.1 4.5 17.4 18 26 A E H <>S+ 0 0 28 -4,-2.2 6,-2.6 3,-0.2 5,-0.7 0.937 117.8 38.3 -61.9 -44.1 31.2 6.6 14.2 19 27 A K H <5S+ 0 0 55 -4,-2.1 -2,-0.2 4,-0.2 -3,-0.2 0.977 126.9 31.2 -70.9 -55.1 27.9 8.2 14.9 20 28 A N H <5S+ 0 0 5 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.770 133.3 21.9 -77.3 -33.8 28.1 8.7 18.7 21 29 A V T <5S+ 0 0 15 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.843 132.4 31.0-103.7 -51.8 31.9 9.2 19.3 22 30 A S T > + 0 0 29 -6,-2.6 4,-1.9 1,-0.1 3,-0.8 -0.800 23.5 178.7-119.8 79.5 30.9 10.9 11.3 25 33 A I H 3> S+ 0 0 77 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.804 76.7 55.7 -56.0 -34.3 27.3 10.3 10.2 26 34 A H H 3> S+ 0 0 154 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.825 107.6 47.4 -72.2 -31.8 28.3 9.2 6.8 27 35 A K H <> S+ 0 0 120 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.846 109.3 56.2 -74.4 -35.5 30.6 6.5 8.0 28 36 A Y H X S+ 0 0 29 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.979 111.1 42.6 -57.3 -54.4 27.8 5.4 10.4 29 37 A N H X S+ 0 0 70 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.852 111.8 55.6 -61.3 -36.7 25.4 5.0 7.4 30 38 A A H X S+ 0 0 48 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.965 109.8 44.9 -60.8 -52.1 28.1 3.3 5.4 31 39 A Y H X S+ 0 0 26 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.891 112.6 52.1 -58.9 -41.8 28.7 0.6 8.0 32 40 A R H X S+ 0 0 125 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.918 109.5 49.0 -60.3 -45.3 25.0 0.1 8.5 33 41 A K H X S+ 0 0 129 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.899 112.2 48.6 -60.7 -43.4 24.5 -0.4 4.7 34 42 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 22,-0.3 -2,-0.2 0.917 111.7 49.7 -63.7 -42.8 27.4 -2.9 4.7 35 43 A A H X S+ 0 0 8 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.890 111.7 49.7 -62.8 -40.9 25.9 -4.7 7.7 36 44 A S H X S+ 0 0 63 -4,-2.6 4,-1.6 2,-0.2 5,-0.2 0.973 110.1 47.2 -62.3 -58.5 22.5 -4.8 6.0 37 45 A V H X S+ 0 0 30 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.858 116.0 46.4 -54.3 -36.8 23.7 -6.2 2.7 38 46 A I H < S+ 0 0 0 -4,-1.9 3,-0.4 -5,-0.2 -1,-0.2 0.896 104.7 61.4 -73.4 -36.5 25.7 -8.8 4.5 39 47 A A H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 109.3 42.8 -56.9 -34.6 22.7 -9.6 6.8 40 48 A K H < S+ 0 0 130 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.694 83.9 113.3 -85.0 -24.2 20.8 -10.7 3.7 41 49 A Y < - 0 0 54 -4,-1.0 2,-0.7 -3,-0.4 4,-0.1 -0.345 61.4-147.1 -54.6 116.9 23.6 -12.6 2.0 42 50 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.160 70.9 68.8 -82.1 40.1 22.5 -16.3 2.1 43 51 A H S S- 0 0 111 -2,-0.7 2,-0.7 0, 0.0 -2,-0.0 -0.988 87.2-105.6-153.0 153.0 26.0 -17.7 2.5 44 52 A K - 0 0 126 -2,-0.3 -40,-0.1 1,-0.0 2,-0.1 -0.748 42.7-124.0 -85.9 117.0 28.7 -17.8 5.1 45 53 A I - 0 0 3 -2,-0.7 3,-0.1 1,-0.1 -38,-0.1 -0.379 25.8-174.4 -60.4 134.0 31.4 -15.4 4.1 46 54 A K + 0 0 183 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.545 65.9 1.0-105.8 -16.1 34.9 -17.0 3.8 47 55 A S > - 0 0 39 1,-0.1 4,-1.8 22,-0.0 -1,-0.3 -0.986 69.9-104.3-164.6 165.5 36.9 -13.8 3.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.3 14,-0.2 5,-0.2 0.862 116.7 61.2 -64.1 -36.1 36.8 -10.1 2.6 49 57 A A H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.913 104.1 49.1 -57.9 -41.8 37.1 -10.5 -1.1 50 58 A E H >4 S+ 0 0 36 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.936 114.2 45.7 -63.2 -45.0 33.9 -12.5 -1.2 51 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.6 1,-0.2 -2,-0.2 0.879 100.8 67.1 -66.8 -36.8 32.2 -9.7 0.8 52 60 A K H 3< S+ 0 0 95 -4,-3.3 -1,-0.2 1,-0.3 5,-0.2 0.711 86.0 70.9 -59.3 -21.2 33.6 -6.9 -1.3 53 61 A K T << S+ 0 0 178 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.722 83.0 90.4 -67.2 -20.3 31.5 -8.1 -4.2 54 62 A L S X S- 0 0 26 -3,-2.6 3,-1.9 -4,-0.2 2,-0.4 -0.557 91.5-107.5 -80.3 140.2 28.5 -6.8 -2.3 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.528 108.1 29.5 -68.4 123.4 27.4 -3.2 -2.9 56 64 A G T 3 S+ 0 0 33 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.201 96.4 103.0 112.1 -14.8 28.2 -1.2 0.1 57 65 A V < + 0 0 8 -3,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.916 50.7 172.9-104.3 114.3 31.2 -3.3 1.1 58 66 A G > - 0 0 31 -2,-0.6 4,-2.0 -3,-0.1 5,-0.1 -0.328 48.3 -74.2-107.6-164.8 34.5 -1.7 0.1 59 67 A T H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 125.3 50.0 -60.0 -44.8 38.2 -2.2 0.6 60 68 A K H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 112.3 44.8 -63.2 -49.0 38.3 -1.1 4.2 61 69 A I H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 110.2 57.6 -66.0 -30.7 35.4 -3.3 5.3 62 70 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -14,-0.2 0.928 107.4 47.2 -63.6 -44.7 37.0 -6.2 3.3 63 71 A E H X S+ 0 0 111 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.887 111.2 51.4 -63.2 -41.2 40.2 -5.8 5.3 64 72 A K H X S+ 0 0 24 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 108.3 51.5 -64.8 -37.8 38.3 -5.7 8.6 65 73 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.942 108.3 52.1 -64.9 -43.2 36.4 -8.9 7.6 66 74 A D H X S+ 0 0 77 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.924 110.5 48.0 -57.8 -47.0 39.7 -10.7 6.9 67 75 A E H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 6,-0.5 0.944 113.9 46.8 -59.2 -48.9 41.1 -9.7 10.3 68 76 A F H X S+ 0 0 47 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.908 110.9 51.8 -59.2 -45.6 37.9 -10.9 12.0 69 77 A L H < S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 116.4 39.7 -62.3 -35.6 37.8 -14.2 10.1 70 78 A A H < S+ 0 0 91 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.695 133.4 20.7 -88.2 -19.4 41.4 -15.0 11.0 71 79 A T H < S- 0 0 77 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.487 91.7-124.2-126.9 -8.4 41.4 -13.8 14.6 72 80 A G S < S+ 0 0 53 -4,-3.1 2,-0.3 -5,-0.3 -4,-0.2 0.619 85.4 59.4 72.9 9.5 37.7 -13.7 15.7 73 81 A K S S- 0 0 103 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.946 75.4-121.8-154.6 178.3 38.2 -10.0 16.6 74 82 A L > - 0 0 5 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.988 17.6-147.4-132.2 116.8 39.0 -6.5 15.5 75 83 A R H > S+ 0 0 198 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 98.7 50.3 -50.0 -47.6 42.0 -4.8 17.2 76 84 A K H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 112.4 47.1 -62.5 -34.2 40.4 -1.3 16.9 77 85 A L H > S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.918 110.2 51.1 -75.5 -43.6 37.1 -2.4 18.3 78 86 A E H X S+ 0 0 66 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.944 114.5 46.3 -57.4 -45.4 38.6 -4.3 21.2 79 87 A K H < S+ 0 0 129 -4,-2.5 4,-0.5 -5,-0.2 3,-0.4 0.913 111.4 48.6 -63.7 -47.7 40.6 -1.1 22.0 80 88 A I H >< S+ 0 0 43 -4,-2.3 3,-0.9 1,-0.2 7,-0.3 0.864 107.2 58.6 -63.4 -32.6 37.7 1.3 21.6 81 89 A R H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.1 47.3 -63.8 -36.5 35.6 -1.0 23.9 82 90 A Q T 3< S+ 0 0 135 -4,-1.3 2,-0.7 -3,-0.4 -1,-0.3 0.485 86.7 108.6 -84.4 -4.8 38.1 -0.6 26.7 83 91 A D <> - 0 0 70 -3,-0.9 4,-2.7 -4,-0.5 5,-0.3 -0.671 60.1-154.2 -79.3 113.6 38.3 3.1 26.3 84 92 A D H > S+ 0 0 85 -2,-0.7 4,-1.7 2,-0.2 5,-0.2 0.906 89.6 41.0 -50.2 -56.0 36.5 4.7 29.3 85 93 A T H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.959 117.5 44.9 -63.3 -52.9 35.5 7.9 27.6 86 94 A S H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.891 113.4 49.0 -62.4 -40.6 34.5 6.5 24.2 87 95 A S H X S+ 0 0 40 -4,-2.7 4,-2.1 -7,-0.3 -1,-0.2 0.881 113.6 48.1 -68.6 -35.2 32.5 3.6 25.6 88 96 A S H X S+ 0 0 15 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.917 111.1 49.3 -69.4 -44.3 30.6 6.0 28.0 89 97 A I H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.966 112.3 49.0 -58.9 -48.2 29.9 8.5 25.2 90 98 A N H < S+ 0 0 29 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.898 112.6 49.0 -57.6 -42.6 28.5 5.7 23.0 91 99 A F H >< S+ 0 0 53 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.900 103.0 57.9 -65.2 -49.2 26.4 4.4 25.9 92 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.811 92.7 69.3 -54.2 -32.0 24.8 7.6 27.0 93 101 A T T 3< S+ 0 0 22 -4,-1.3 -1,-0.3 1,-0.3 5,-0.2 0.617 79.9 78.0 -64.5 -12.4 23.3 8.1 23.5 94 102 A R T < S+ 0 0 122 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.3 0.628 75.8 90.4 -69.8 -14.3 21.0 5.2 24.1 95 103 A V S X S- 0 0 0 -3,-2.2 3,-2.3 -4,-0.2 2,-0.2 -0.753 92.0-116.6 -83.3 124.4 19.0 7.7 26.2 96 104 A S T 3 S+ 0 0 39 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.440 103.6 28.0 -62.0 132.4 16.4 9.3 24.0 97 105 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.141 99.0 99.9 100.0 -21.9 17.1 13.0 23.8 98 106 A I < + 0 0 5 -3,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 -0.902 51.5 172.8-101.7 105.2 20.9 12.4 24.4 99 107 A G > - 0 0 30 -2,-0.8 4,-2.5 -3,-0.1 5,-0.2 -0.287 52.8 -77.2 -95.9-171.0 22.6 12.6 21.0 100 108 A P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.879 129.8 51.5 -56.4 -40.0 26.4 12.5 20.3 101 109 A S H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.956 113.5 40.6 -65.4 -51.0 26.8 16.2 21.3 102 110 A A H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.889 114.1 54.3 -65.5 -39.0 25.0 15.9 24.7 103 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.894 109.8 47.1 -63.9 -37.9 26.7 12.6 25.4 104 112 A R H X S+ 0 0 78 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 112.1 50.2 -68.1 -44.0 30.1 14.2 24.8 105 113 A K H X S+ 0 0 102 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.946 112.7 47.3 -57.4 -49.9 29.3 17.2 26.9 106 114 A F H ><>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 3,-1.1 0.941 112.2 48.1 -58.8 -50.0 28.2 15.0 29.8 107 115 A V H ><5S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.846 105.5 59.6 -62.8 -32.2 31.2 12.7 29.6 108 116 A D H 3<5S+ 0 0 116 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.747 108.1 46.1 -67.1 -24.4 33.5 15.7 29.6 109 117 A E T <<5S- 0 0 88 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.181 126.8 -95.9-104.3 16.8 32.1 16.8 32.9 110 118 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.531 83.4 130.1 85.8 4.3 32.3 13.4 34.6 111 119 A I < + 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.843 19.7 143.8 -94.1 107.1 28.7 12.3 33.9 112 120 A K + 0 0 59 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.531 49.4 43.9-123.6 -9.0 29.1 8.8 32.4 113 121 A T S > S- 0 0 46 1,-0.1 4,-2.4 -22,-0.1 5,-0.1 -0.849 82.5-103.9-133.7 172.1 26.3 6.5 33.6 114 122 A L H > S+ 0 0 23 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.892 122.9 55.1 -62.1 -38.5 22.5 6.5 34.1 115 123 A E H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.890 107.5 48.4 -62.5 -39.3 23.2 6.8 37.9 116 124 A D H 4 S+ 0 0 32 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.9 48.7 -67.7 -39.1 25.3 9.9 37.2 117 125 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.929 106.5 57.6 -63.7 -42.3 22.4 11.2 35.0 118 126 A R H 3< S+ 0 0 150 -4,-3.5 3,-0.5 1,-0.3 -1,-0.2 0.801 107.9 46.3 -59.3 -30.8 19.9 10.4 37.8 119 127 A K T 3< S+ 0 0 155 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.311 110.1 55.2 -97.1 12.3 21.8 12.7 40.2 120 128 A N X + 0 0 34 -3,-1.9 3,-1.8 -4,-0.1 4,-0.2 -0.229 58.3 142.2-136.1 44.9 22.1 15.5 37.7 121 129 A E G > + 0 0 115 -3,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.840 67.4 66.5 -54.2 -39.1 18.5 16.2 36.7 122 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.719 98.7 54.0 -58.4 -21.0 19.1 19.9 36.6 123 131 A K G < S+ 0 0 83 -3,-1.8 2,-0.4 -6,-0.2 -1,-0.3 0.440 95.1 84.3 -92.9 -3.3 21.5 19.4 33.7 124 132 A L S < S- 0 0 6 -3,-2.3 -26,-0.0 -4,-0.2 -7,-0.0 -0.856 72.6-134.5-103.4 136.8 18.9 17.4 31.6 125 133 A N > - 0 0 86 -2,-0.4 4,-1.9 -28,-0.1 5,-0.2 -0.183 40.1 -90.8 -75.0 177.4 16.3 19.1 29.3 126 134 A H H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.936 126.0 49.2 -57.2 -47.2 12.6 17.8 29.4 127 135 A H H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 109.8 51.3 -59.5 -47.4 13.1 15.3 26.6 128 136 A Q H > S+ 0 0 8 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 106.0 54.8 -60.5 -36.2 16.2 13.8 28.2 129 137 A R H X S+ 0 0 95 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.910 111.3 44.9 -64.2 -41.6 14.5 13.4 31.6 130 138 A I H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 111.3 52.7 -68.6 -43.6 11.7 11.3 30.0 131 139 A G H < S+ 0 0 0 -4,-2.7 -35,-0.3 -35,-0.4 -2,-0.2 0.886 113.1 45.5 -57.9 -37.6 14.3 9.3 28.0 132 140 A L H >< S+ 0 0 26 -4,-2.3 3,-1.9 -5,-0.2 4,-0.3 0.964 109.5 54.2 -69.1 -50.8 16.0 8.6 31.2 133 141 A K H 3< S+ 0 0 140 -4,-3.1 3,-0.2 1,-0.3 -2,-0.2 0.872 120.0 32.1 -52.2 -40.6 12.8 7.8 33.1 134 142 A Y T 3X S+ 0 0 10 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.099 77.9 131.6-108.5 26.9 11.8 5.2 30.4 135 143 A F H <> S+ 0 0 26 -3,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.869 81.0 36.2 -42.8 -55.8 15.3 4.0 29.5 136 144 A G H >> S+ 0 0 37 -4,-0.3 3,-0.8 -3,-0.2 4,-0.8 0.924 116.3 52.6 -68.1 -46.1 14.4 0.3 29.7 137 145 A D H >4 S+ 0 0 36 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.924 106.3 53.8 -57.1 -43.9 10.9 0.6 28.4 138 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 105.1 54.5 -64.6 -23.5 12.0 2.4 25.3 139 147 A E H << S+ 0 0 94 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.640 91.5 92.8 -85.7 -12.2 14.5 -0.3 24.4 140 148 A K S << S- 0 0 108 -3,-1.3 2,-0.1 -4,-0.8 -3,-0.0 -0.472 75.4-126.9 -79.7 148.3 11.7 -3.0 24.6 141 149 A R - 0 0 139 -2,-0.1 40,-0.2 103,-0.0 -1,-0.1 -0.469 20.5-117.2 -89.2 166.3 9.9 -4.0 21.4 142 150 A I E -A 180 0A 0 38,-3.2 38,-2.2 -2,-0.1 40,-0.1 -0.930 19.8-131.6-109.7 118.7 6.1 -4.0 21.1 143 151 A P E >> -A 179 0A 59 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.408 23.8-120.6 -64.8 142.6 4.3 -7.3 20.4 144 152 A R H 3> S+ 0 0 72 34,-2.4 4,-2.1 1,-0.3 35,-0.1 0.802 112.3 61.6 -53.4 -32.5 1.8 -6.9 17.6 145 153 A E H 3> S+ 0 0 113 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.843 105.5 45.5 -64.0 -36.2 -1.0 -7.9 19.9 146 154 A E H <> S+ 0 0 29 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.856 109.5 55.5 -74.3 -35.6 -0.3 -4.9 22.1 147 155 A M H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.860 105.8 52.7 -61.7 -38.7 -0.1 -2.7 19.0 148 156 A L H X S+ 0 0 53 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.934 111.0 45.5 -63.7 -45.6 -3.6 -3.9 18.1 149 157 A Q H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.857 112.8 51.6 -64.0 -36.8 -4.9 -2.9 21.5 150 158 A M H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 109.6 50.0 -65.2 -42.6 -3.0 0.4 21.2 151 159 A Q H X S+ 0 0 47 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.910 104.5 57.8 -61.3 -47.7 -4.7 0.9 17.8 152 160 A D H X S+ 0 0 104 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.937 109.0 46.3 -47.8 -51.4 -8.1 0.2 19.2 153 161 A I H X S+ 0 0 35 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.909 113.2 48.4 -60.7 -45.3 -7.7 3.0 21.7 154 162 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.947 113.4 44.5 -64.1 -49.3 -6.3 5.5 19.2 155 163 A L H X S+ 0 0 67 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.917 115.0 50.4 -62.3 -41.5 -9.0 5.0 16.5 156 164 A N H X S+ 0 0 92 -4,-2.2 4,-2.2 -5,-0.4 -2,-0.2 0.942 115.0 40.8 -61.7 -52.2 -11.8 5.1 19.1 157 165 A E H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.862 114.2 52.6 -67.4 -36.5 -10.6 8.3 20.8 158 166 A V H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.3 3,-0.3 0.968 113.0 44.6 -62.6 -48.6 -9.8 10.0 17.5 159 167 A K H < S+ 0 0 143 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.6 57.7 -63.2 -34.4 -13.4 9.2 16.2 160 168 A K H < S+ 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.884 106.0 48.6 -63.3 -39.5 -14.7 10.3 19.6 161 169 A V H < S- 0 0 41 -4,-2.0 2,-0.3 -3,-0.3 -2,-0.2 0.928 139.6 -14.8 -65.8 -48.1 -13.2 13.8 19.1 162 170 A D >< - 0 0 51 -4,-1.9 3,-2.0 -5,-0.1 -1,-0.3 -0.815 55.8-147.2-160.6 118.2 -14.5 14.2 15.6 163 171 A S T 3 S+ 0 0 88 1,-0.3 -4,-0.1 -2,-0.3 -3,-0.1 0.601 97.3 67.7 -64.7 -10.6 -15.9 11.4 13.4 164 172 A E T 3 S+ 0 0 113 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.615 76.9 103.5 -85.6 -12.2 -14.6 13.2 10.4 165 173 A Y < - 0 0 16 -3,-2.0 2,-0.4 -7,-0.2 24,-0.2 -0.273 61.0-149.4 -63.6 157.4 -10.9 12.6 11.4 166 174 A I E -B 188 0B 58 22,-2.2 22,-1.6 2,-0.0 2,-0.4 -0.980 16.5-175.7-132.2 116.5 -9.1 9.8 9.5 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.959 6.2-177.6-118.5 135.6 -6.3 8.0 11.4 168 176 A T E -B 186 0B 32 18,-2.5 18,-2.8 -2,-0.4 2,-0.9 -0.981 21.0-143.6-134.4 121.8 -4.0 5.4 10.1 169 177 A V E +B 185 0B 3 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.743 35.5 175.5 -82.7 109.2 -1.4 3.5 12.1 170 178 A C > + 0 0 2 14,-2.1 4,-0.5 -2,-0.9 3,-0.4 0.238 26.5 81.9 -93.7-146.3 1.5 3.1 9.7 171 179 A G H >> S- 0 0 21 92,-2.0 3,-1.2 89,-0.2 4,-0.9 -0.141 106.2 -39.7 76.0-174.1 5.0 1.7 10.0 172 180 A S H 34>S+ 0 0 35 1,-0.3 5,-2.4 2,-0.2 3,-0.4 0.805 133.5 70.0 -56.3 -28.6 6.0 -1.9 9.8 173 181 A F H >45S+ 0 0 7 -3,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.892 95.5 51.2 -55.2 -45.1 2.8 -2.6 11.8 174 182 A R H <<5S+ 0 0 60 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.817 106.4 54.8 -64.6 -28.0 0.7 -1.7 8.8 175 183 A R T 3<5S- 0 0 69 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.474 128.3-102.1 -82.5 -1.7 2.7 -4.1 6.7 176 184 A G T < 5 + 0 0 37 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.599 56.6 175.4 93.5 15.3 1.9 -6.8 9.3 177 185 A A < - 0 0 28 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.133 35.9-129.6 -54.6 147.0 5.1 -7.0 11.3 178 186 A E S S+ 0 0 171 1,-0.1 -34,-2.4 -35,-0.1 2,-0.3 0.666 89.0 11.0 -71.6 -21.1 5.1 -9.2 14.4 179 187 A S E -A 143 0A 36 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.987 68.3-149.8-155.3 157.3 6.5 -6.5 16.6 180 188 A S E -A 142 0A 3 -38,-2.2 -38,-3.2 -2,-0.3 3,-0.1 -0.855 18.7-142.6-130.0 161.8 7.1 -2.8 16.4 181 189 A G S S- 0 0 38 -2,-0.3 64,-0.4 1,-0.2 2,-0.3 0.711 85.1 -21.5 -91.9 -26.0 9.6 -0.3 17.9 182 190 A D S S- 0 0 70 62,-0.1 2,-0.5 -40,-0.1 -1,-0.2 -0.900 71.0 -91.8-162.7-173.7 6.9 2.4 18.3 183 191 A M E - c 0 246B 0 62,-2.2 64,-2.7 -2,-0.3 2,-0.6 -0.983 30.1-169.6-122.6 123.5 3.5 3.6 17.1 184 192 A D E - c 0 247B 19 -2,-0.5 -14,-2.1 -14,-0.3 2,-0.5 -0.964 7.9-169.0-114.4 115.2 3.4 6.1 14.2 185 193 A V E -Bc 169 248B 2 62,-2.8 64,-3.4 -2,-0.6 2,-0.6 -0.913 9.1-158.0-112.9 126.2 -0.1 7.6 13.6 186 194 A L E -Bc 168 249B 0 -18,-2.8 -18,-2.5 -2,-0.5 2,-0.3 -0.905 17.2-172.4-103.1 126.6 -1.0 9.6 10.5 187 195 A L E +Bc 167 250B 0 62,-4.3 64,-3.0 -2,-0.6 2,-0.3 -0.875 11.0 164.6-121.7 145.4 -4.0 11.9 11.0 188 196 A T E -B 166 0B 0 -22,-1.6 -22,-2.2 -2,-0.3 5,-0.1 -0.930 14.0-163.7-147.9 171.4 -6.0 14.0 8.6 189 197 A H > - 0 0 9 3,-0.4 3,-2.1 62,-0.4 64,-0.5 -0.950 32.6-118.8-158.1 139.9 -9.4 15.9 8.5 190 198 A P T 3 S+ 0 0 64 0, 0.0 64,-0.1 0, 0.0 63,-0.1 0.812 112.7 61.8 -54.0 -31.6 -11.3 17.3 5.5 191 199 A S T 3 S+ 0 0 51 1,-0.1 2,-0.5 62,-0.0 -3,-0.0 0.579 95.4 74.5 -72.2 -9.0 -11.1 20.8 7.0 192 200 A F < + 0 0 34 -3,-2.1 61,-3.2 59,-0.1 -3,-0.4 -0.928 58.9 142.6-112.6 119.2 -7.3 20.6 6.7 193 201 A T > - 0 0 35 -2,-0.5 3,-0.6 59,-0.3 -2,-0.0 -0.915 61.6 -88.8-146.5 166.4 -5.6 20.9 3.3 194 202 A S T 3 S+ 0 0 56 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.857 119.7 29.7 -44.3 -52.7 -2.4 22.4 1.7 195 203 A E T 3 0 0 148 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.723 360.0 360.0-117.6 81.3 -4.0 25.8 0.9 196 204 A S < 0 0 113 -3,-0.6 -4,-0.0 -2,-0.5 -5,-0.0 -0.959 360.0 360.0-156.1 360.0 -6.6 26.5 3.5 197 ! 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 0.0 198 207 A Q > 0 0 136 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 125.4 -6.2 24.9 12.2 199 208 A P T 3> + 0 0 72 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.763 360.0 59.2 -67.4 -32.0 -3.8 24.5 15.2 200 209 A K H 3> S+ 0 0 147 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.616 80.2 85.9 -78.0 -12.2 -6.3 22.7 17.4 201 210 A L H <> S+ 0 0 5 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.929 102.9 30.1 -55.7 -45.7 -6.8 19.8 15.0 202 211 A L H >> S+ 0 0 0 -3,-0.4 4,-2.3 21,-0.4 3,-0.7 0.938 118.0 56.4 -77.8 -47.5 -3.8 17.9 16.5 203 212 A H H 3X S+ 0 0 61 -4,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.871 102.9 54.8 -50.6 -47.6 -4.1 19.4 20.0 204 213 A Q H 3X S+ 0 0 89 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.853 110.0 46.9 -58.7 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