==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 16-DEC-95 9ICN . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 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 . 0 0.0 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 . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 2 2 1 2 2 0 0 2 1 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 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 PARALLEL BRIDGES PER LADDER . 0 2 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 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 0 216 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -11.7 67.2 58.3 57.1 2 10 A T + 0 0 121 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.142 360.0 78.7-172.6 -8.2 67.0 59.2 60.9 3 11 A L S S+ 0 0 55 1,-0.2 42,-0.3 36,-0.1 4,-0.1 0.748 114.0 19.9 -84.8 -23.5 64.9 62.2 60.6 4 12 A N S > S+ 0 0 11 35,-0.1 4,-3.0 40,-0.1 5,-0.2 0.088 91.8 121.9-133.7 24.7 61.8 60.1 60.3 5 13 A G H > S+ 0 0 17 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.919 72.6 45.5 -48.8 -69.4 63.2 56.9 61.7 6 14 A G H > S+ 0 0 38 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.886 115.5 53.2 -47.2 -44.7 60.9 56.1 64.7 7 15 A I H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.934 111.3 41.8 -59.0 -51.9 58.1 56.9 62.3 8 16 A T H X S+ 0 0 22 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.869 116.4 52.4 -66.3 -33.5 59.1 54.6 59.7 9 17 A D H X S+ 0 0 99 -4,-3.6 4,-2.9 -5,-0.2 -2,-0.2 0.953 108.8 45.3 -67.8 -46.1 59.9 52.0 62.3 10 18 A M H X S+ 0 0 4 -4,-3.7 4,-3.1 1,-0.3 -1,-0.2 0.949 112.8 53.2 -58.8 -46.8 56.6 52.1 64.1 11 19 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.3 0.786 108.0 52.9 -54.4 -34.9 54.9 52.0 60.7 12 20 A T H X S+ 0 0 57 -4,-1.6 4,-3.6 2,-0.2 5,-0.2 0.985 109.0 46.2 -64.6 -56.4 57.1 49.0 60.1 13 21 A E H X S+ 0 0 71 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.886 115.2 49.4 -46.5 -51.1 55.9 47.2 63.3 14 22 A L H X S+ 0 0 1 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.943 113.0 43.7 -55.2 -59.3 52.4 48.1 62.4 15 23 A A H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 3,-0.5 0.933 114.1 53.0 -53.0 -52.7 52.6 46.9 58.8 16 24 A N H X S+ 0 0 83 -4,-3.6 4,-2.2 1,-0.3 5,-0.2 0.917 106.0 51.4 -46.7 -57.1 54.4 43.8 59.9 17 25 A F H X>S+ 0 0 34 -4,-3.0 4,-2.4 -5,-0.2 5,-1.2 0.852 105.1 56.9 -53.8 -38.7 52.0 42.9 62.4 18 26 A E H <5S+ 0 0 6 -4,-1.7 6,-0.3 -3,-0.5 -1,-0.2 0.974 111.3 41.0 -61.4 -50.5 49.0 43.2 59.9 19 27 A K H <5S+ 0 0 87 -4,-2.0 -2,-0.2 5,-0.2 -1,-0.2 0.934 122.6 38.7 -62.4 -46.6 50.3 40.8 57.5 20 28 A N H <5S+ 0 0 26 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.885 129.4 20.3 -71.7 -49.5 51.6 38.2 60.1 21 29 A V T <5S+ 0 0 31 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.925 130.1 34.4 -87.6 -66.0 49.0 38.2 62.8 22 30 A S S + 0 0 25 -6,-0.3 4,-4.3 1,-0.2 5,-0.3 -0.105 8.0 158.1 -40.9 58.5 45.5 42.3 56.9 25 33 A I H > S+ 0 0 100 -2,-2.0 4,-3.2 2,-0.2 5,-0.2 0.884 75.1 51.5 -54.4 -44.0 47.3 42.4 53.6 26 34 A H H > S+ 0 0 154 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.970 118.2 36.6 -57.7 -52.9 45.6 45.6 52.6 27 35 A K H > S+ 0 0 112 2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.871 117.2 52.0 -63.5 -46.9 46.4 47.3 55.7 28 36 A Y H X S+ 0 0 29 -4,-4.3 4,-1.6 1,-0.3 -1,-0.2 0.959 109.8 47.8 -55.5 -52.5 49.7 45.8 55.9 29 37 A N H X S+ 0 0 82 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.3 0.820 108.1 61.7 -58.0 -30.7 50.4 46.9 52.5 30 38 A A H >X S+ 0 0 31 -4,-1.1 4,-1.6 -5,-0.2 3,-0.6 0.993 99.8 49.1 -61.1 -63.3 49.1 50.2 53.8 31 39 A Y H 3X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.785 107.4 64.5 -42.9 -36.1 51.8 50.8 56.4 32 40 A R H 3X S+ 0 0 148 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.922 101.0 38.7 -58.2 -59.2 54.3 50.0 53.8 33 41 A K H - 0 0 34 1,-0.2 4,-1.5 -3,-0.0 5,-0.1 -0.998 67.6-104.2-170.2 168.6 52.9 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-2.1 0.995 116.2 51.5 -60.0 -66.6 50.2 64.2 61.8 49 57 A A H 3> S+ 0 0 71 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.750 108.9 54.8 -41.8 -33.7 48.5 66.8 59.7 50 58 A E H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.839 112.2 41.8 -70.5 -37.6 51.9 67.5 58.1 51 59 A A H X< S+ 0 0 0 -3,-2.1 3,-3.7 -4,-1.5 -2,-0.2 0.861 100.8 68.4 -76.7 -39.5 52.4 64.0 57.2 52 60 A K H 3< S+ 0 0 92 -4,-2.8 5,-0.3 1,-0.4 -1,-0.2 0.817 84.4 78.1 -45.0 -37.0 48.8 63.4 56.0 53 61 A K T 3< S+ 0 0 168 -4,-0.9 -1,-0.4 -5,-0.3 -2,-0.2 0.593 80.4 89.9 -50.6 -16.7 49.9 65.6 53.4 54 62 A L S X S- 0 0 37 -3,-3.7 3,-2.0 1,-0.1 2,-0.1 -0.582 88.0-103.7 -91.9 155.0 51.7 62.8 51.8 55 63 A P T 3 S+ 0 0 103 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.447 113.7 28.4 -67.6 142.7 50.4 60.3 49.3 56 64 A G T 3 S+ 0 0 31 1,-0.1 2,-1.0 -2,-0.1 -22,-0.2 0.243 100.5 114.1 88.0 -15.0 49.7 57.0 51.0 57 65 A V < + 0 0 8 -3,-2.0 -1,-0.1 -5,-0.3 2,-0.1 -0.760 40.2 160.1-103.5 99.5 49.0 59.1 54.1 58 66 A G > - 0 0 27 -2,-1.0 4,-2.3 -3,-0.1 5,-0.1 -0.240 53.7 -74.6 -99.2-173.2 45.6 59.1 55.3 59 67 A T H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.795 120.9 47.7 -52.3 -47.3 43.7 59.8 58.4 60 68 A K H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.875 112.8 46.0 -72.4 -35.6 44.6 56.7 60.4 61 69 A I H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.909 112.5 52.1 -70.6 -40.1 48.2 56.7 59.9 62 70 A A H X S+ 0 0 7 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.978 106.6 52.8 -56.4 -55.2 48.2 60.4 60.6 63 71 A E H X S+ 0 0 122 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.819 111.6 49.2 -47.2 -36.2 46.4 59.8 63.9 64 72 A K H X S+ 0 0 37 -4,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.947 107.2 50.0 -72.2 -49.6 49.0 57.3 64.7 65 73 A I H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.899 109.1 57.0 -56.9 -38.5 52.0 59.4 63.9 66 74 A D H X S+ 0 0 71 -4,-3.0 4,-3.9 -5,-0.2 -2,-0.2 0.973 107.9 43.7 -57.1 -59.2 50.4 62.1 66.1 67 75 A E H X S+ 0 0 72 -4,-1.9 4,-2.3 1,-0.2 6,-0.5 0.824 115.8 49.9 -54.1 -38.3 50.1 59.9 69.2 68 76 A F H < S+ 0 0 52 -4,-2.4 -1,-0.2 2,-0.2 5,-0.2 0.951 114.4 42.5 -68.4 -47.4 53.5 58.6 68.6 69 77 A L H < S+ 0 0 58 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.925 114.8 51.5 -63.8 -44.3 55.0 62.1 68.2 70 78 A A H < S+ 0 0 87 -4,-3.9 2,-0.3 -5,-0.3 -1,-0.2 0.886 125.2 20.0 -61.6 -37.7 52.9 63.3 71.1 71 79 A T S < S- 0 0 65 -4,-2.3 2,-1.5 2,-0.4 -1,-0.2 -0.986 85.5-110.2-132.6 143.2 54.1 60.4 73.4 72 80 A G S S+ 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.327 97.9 41.2 -57.0 20.4 57.2 58.2 73.2 73 81 A K - 0 0 83 -2,-1.5 -2,-0.4 -6,-0.5 2,-0.3 -0.921 67.6-130.7-155.6-178.7 54.8 55.4 72.4 74 82 A L > - 0 0 2 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.995 17.8-144.5-139.4 126.6 51.7 54.0 70.7 75 83 A R H > S+ 0 0 171 -2,-0.3 4,-3.7 1,-0.2 5,-0.3 0.987 102.2 48.8 -59.4 -57.6 49.1 52.0 72.6 76 84 A K H > S+ 0 0 73 1,-0.3 4,-1.9 2,-0.3 -1,-0.2 0.832 110.5 53.5 -50.0 -34.8 48.3 49.6 69.8 77 85 A L H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.958 112.7 43.6 -68.6 -42.6 52.0 49.1 69.5 78 86 A E H < S+ 0 0 74 -4,-2.5 4,-0.4 2,-0.2 -2,-0.3 0.864 108.3 55.9 -69.5 -35.6 52.2 48.3 73.1 79 87 A K H >X S+ 0 0 135 -4,-3.7 4,-1.4 1,-0.2 3,-0.8 0.933 111.2 46.8 -61.0 -38.5 49.1 46.1 73.1 80 88 A I H 3< S+ 0 0 21 -4,-1.9 7,-0.2 -5,-0.3 -1,-0.2 0.772 103.0 61.0 -69.8 -32.1 50.8 44.0 70.3 81 89 A R T 3< S+ 0 0 126 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.459 113.5 39.8 -77.6 -2.4 54.3 43.7 72.0 82 90 A Q T <4 S+ 0 0 143 -3,-0.8 -2,-0.2 -4,-0.4 5,-0.2 0.813 82.1 102.8-101.6 -78.7 52.5 42.0 74.8 83 91 A D X - 0 0 73 -4,-1.4 4,-2.7 1,-0.1 5,-0.2 0.296 59.9-149.1 -17.4 107.1 49.8 39.6 73.4 84 92 A D H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.845 95.3 60.5 -57.7 -35.1 51.3 36.3 73.6 85 93 A T H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 107.2 42.7 -57.8 -52.1 49.3 35.3 70.6 86 94 A S H >> S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.974 115.3 51.7 -56.4 -52.0 51.0 37.9 68.4 87 95 A S H >X S+ 0 0 49 -4,-2.7 4,-1.2 1,-0.2 3,-0.5 0.894 105.6 54.1 -52.3 -45.7 54.4 37.1 69.9 88 96 A S H >X S+ 0 0 15 -4,-3.2 4,-2.7 1,-0.3 3,-0.6 0.904 103.9 54.6 -59.5 -39.4 54.1 33.4 69.3 89 97 A I H < S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 6,-0.2 0.894 103.0 64.4 -49.3 -38.9 57.2 29.9 65.5 93 101 A T T 3< S+ 0 0 40 -4,-0.9 -1,-0.3 -5,-0.4 5,-0.2 0.712 82.4 74.9 -59.8 -22.2 57.9 31.5 62.2 94 102 A R T < S+ 0 0 108 -3,-3.2 2,-0.5 2,-0.1 -1,-0.3 0.736 76.4 96.8 -66.8 -16.4 61.6 31.5 63.0 95 103 A V S X S- 0 0 0 -3,-2.3 3,-2.8 -4,-0.4 2,-0.2 -0.622 89.7-114.8 -76.5 122.7 61.4 27.9 62.3 96 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.3 35,-0.3 36,-0.1 -0.407 103.9 27.0 -58.2 121.9 62.5 27.3 58.7 97 105 A G T 3 S+ 0 0 31 1,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.065 97.4 103.5 111.8 -21.3 59.5 25.9 56.9 98 106 A I < + 0 0 9 -3,-2.8 -1,-0.3 -6,-0.2 26,-0.0 -0.876 47.2 178.2-100.6 124.6 57.0 27.6 59.1 99 107 A G > - 0 0 27 -2,-0.7 4,-1.6 -3,-0.1 -4,-0.1 -0.129 47.7 -88.4-101.4-160.3 55.4 30.6 57.6 100 108 A P H > S+ 0 0 41 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.869 123.7 61.0 -79.3 -40.7 52.8 32.7 59.1 101 109 A S H > S+ 0 0 95 1,-0.3 4,-1.4 2,-0.2 -3,-0.1 0.914 114.0 35.1 -47.5 -55.2 50.1 30.7 57.8 102 110 A A H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.820 108.9 63.5 -70.1 -40.4 51.3 27.8 59.7 103 111 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.903 104.2 52.5 -56.8 -33.7 52.4 29.8 62.6 104 112 A R H X S+ 0 0 49 -4,-3.2 4,-2.1 2,-0.2 3,-0.4 0.987 107.4 47.9 -65.4 -55.2 48.7 30.6 62.9 105 113 A K H >< S+ 0 0 98 -4,-1.4 3,-0.7 1,-0.2 5,-0.3 0.938 108.5 54.8 -45.2 -64.5 47.4 27.0 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.0 5,-4.2 1,-0.3 3,-1.5 0.820 109.6 47.3 -40.7 -44.9 49.9 25.8 65.5 107 115 A V H ><5S+ 0 0 6 -4,-1.4 3,-1.6 -3,-0.4 -1,-0.3 0.930 105.8 56.0 -67.9 -41.7 48.9 28.5 67.9 108 116 A D T <<5S+ 0 0 126 -4,-2.1 -1,-0.3 -3,-0.7 -2,-0.2 0.284 111.6 46.1 -74.7 15.6 45.3 27.9 67.5 109 117 A E T < 5S- 0 0 107 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.235 127.2-104.4-128.9 -8.8 46.2 24.4 68.5 110 118 A G T < 5S+ 0 0 33 -3,-1.6 2,-1.1 -4,-0.4 -3,-0.3 0.464 76.0 136.6 96.0 3.6 48.3 25.6 71.3 111 119 A I < + 0 0 6 -5,-4.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.768 13.6 141.9 -87.8 109.5 51.7 25.0 69.8 112 120 A K + 0 0 71 -2,-1.1 2,-0.4 -3,-0.1 -1,-0.2 0.178 51.9 53.4-128.1 5.7 53.4 28.1 70.7 113 121 A T S > S- 0 0 55 1,-0.1 4,-3.9 -3,-0.1 5,-0.1 -0.963 80.6-108.1-148.7 167.4 56.8 26.9 71.5 114 122 A L H > S+ 0 0 34 -2,-0.4 4,-2.5 1,-0.3 -1,-0.1 0.905 124.6 44.7 -52.0 -48.9 59.8 25.0 70.6 115 123 A E H > S+ 0 0 122 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.930 108.7 57.4 -63.7 -43.7 58.9 22.4 73.0 116 124 A D H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.920 109.4 47.7 -50.8 -45.3 55.3 22.5 71.7 117 125 A L H >< S+ 0 0 0 -4,-3.9 3,-0.5 2,-0.2 -1,-0.2 0.958 109.2 49.9 -62.9 -52.5 56.7 21.7 68.4 118 126 A R H >< S+ 0 0 122 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.912 110.7 51.7 -51.9 -47.2 59.0 18.9 69.5 119 127 A K H 3< S+ 0 0 156 -4,-3.3 3,-0.3 1,-0.3 -1,-0.3 0.806 115.8 42.0 -59.5 -31.6 56.1 17.3 71.3 120 128 A N T XX + 0 0 45 -4,-1.4 3,-1.1 -3,-0.5 4,-0.7 -0.118 67.3 141.0-110.4 41.3 54.1 17.6 68.2 121 129 A E T <4 + 0 0 90 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.715 66.2 70.6 -53.7 -17.1 56.7 16.6 65.8 122 130 A D T 34 S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.954 92.0 52.3 -66.8 -49.0 53.9 14.8 64.0 123 131 A K T <4 S+ 0 0 102 -3,-1.1 2,-0.3 -6,-0.1 -1,-0.2 0.674 94.9 92.8 -63.7 -13.0 52.1 17.9 62.8 124 132 A L S < S- 0 0 3 -4,-0.7 2,-0.1 -3,-0.3 -26,-0.0 -0.615 70.1-137.7 -86.0 142.1 55.3 19.1 61.3 125 133 A N > - 0 0 80 -2,-0.3 4,-2.4 -28,-0.1 5,-0.2 -0.345 36.1 -89.8 -87.6 172.6 56.4 18.4 57.7 126 134 A H H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 125.6 43.7 -48.0 -57.5 59.9 17.4 56.5 127 135 A H H > S+ 0 0 40 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.956 117.2 48.0 -55.8 -51.4 61.3 20.8 55.9 128 136 A Q H > S+ 0 0 15 1,-0.2 4,-2.1 -31,-0.2 -1,-0.3 0.819 109.1 56.5 -59.4 -27.6 59.7 22.0 59.1 129 137 A R H X S+ 0 0 101 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.944 110.9 39.3 -70.8 -44.9 61.1 19.0 60.8 130 138 A I H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.959 110.9 60.4 -65.5 -44.1 64.5 19.7 59.8 131 139 A G H < S+ 0 0 1 -4,-3.5 -35,-0.3 -35,-0.3 -1,-0.2 0.846 108.9 44.7 -46.1 -43.5 63.9 23.2 60.5 132 140 A L H >< S+ 0 0 10 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.3 0.912 108.4 55.9 -70.7 -43.7 63.1 22.3 64.0 133 141 A K H 3< S+ 0 0 126 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.911 116.3 35.9 -57.5 -41.7 66.0 20.0 64.3 134 142 A Y T 3X S+ 0 0 19 -4,-2.8 4,-3.2 1,-0.2 -1,-0.3 0.044 74.3 129.6-104.2 29.8 68.5 22.7 63.4 135 143 A F H <> S+ 0 0 24 -3,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.903 79.3 42.2 -46.3 -56.5 66.9 25.7 65.0 136 144 A G H >> S+ 0 0 39 -3,-0.3 3,-3.2 -4,-0.2 4,-0.8 0.978 117.0 44.8 -52.9 -75.3 70.0 26.7 66.8 137 145 A D H 34 S+ 0 0 32 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.760 107.4 63.7 -40.3 -34.7 72.5 26.0 63.9 138 146 A F H 3< S+ 0 0 42 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.791 104.1 44.0 -65.4 -26.8 70.1 27.8 61.6 139 147 A E H << S+ 0 0 103 -3,-3.2 2,-0.3 -4,-0.9 -1,-0.2 0.574 90.5 100.3 -90.3 -17.6 70.4 31.1 63.3 140 148 A K S < S- 0 0 107 -4,-0.8 -4,-0.0 -3,-0.4 0, 0.0 -0.551 75.0-123.7 -71.0 125.8 74.2 31.0 63.6 141 149 A R - 0 0 148 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.176 22.6-112.8 -66.9 170.7 75.9 33.1 61.1 142 150 A I E -A 180 0A 0 38,-4.8 38,-3.5 40,-0.0 2,-0.3 -0.918 23.9-142.9-108.4 111.4 78.6 31.5 58.8 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-2.9 0, 0.0 4,-1.7 -0.555 19.6-124.5 -72.7 131.2 82.1 32.8 59.4 144 152 A R H 3> S+ 0 0 68 34,-3.4 4,-2.6 -2,-0.3 5,-0.2 0.716 106.6 73.2 -46.7 -25.7 84.1 33.0 56.1 145 153 A E H 34 S+ 0 0 124 33,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.698 107.0 33.5 -60.5 -25.8 86.8 30.8 57.6 146 154 A E H <> S+ 0 0 24 -3,-2.9 4,-3.7 2,-0.2 3,-0.3 0.801 111.7 63.7 -91.3 -45.6 84.4 27.8 57.2 147 155 A M H X S+ 0 0 1 -4,-1.7 4,-3.6 1,-0.3 5,-0.3 0.858 102.1 50.4 -42.7 -51.3 82.9 29.3 54.0 148 156 A L H X S+ 0 0 76 -4,-2.6 4,-2.0 2,-0.2 -1,-0.3 0.868 113.0 45.8 -57.3 -45.4 86.4 28.9 52.4 149 157 A Q H > S+ 0 0 62 -4,-0.4 4,-2.5 -3,-0.3 -2,-0.2 0.930 114.5 48.6 -65.2 -48.1 86.6 25.3 53.5 150 158 A M H X S+ 0 0 2 -4,-3.7 4,-2.8 1,-0.2 5,-0.2 0.941 114.8 44.0 -51.9 -56.6 83.0 24.6 52.4 151 159 A Q H X S+ 0 0 57 -4,-3.6 4,-2.4 1,-0.3 -1,-0.2 0.854 109.0 58.0 -56.5 -40.2 83.6 26.2 49.1 152 160 A D H X S+ 0 0 90 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.3 0.924 110.6 46.6 -59.1 -39.3 86.9 24.3 49.0 153 161 A I H >X S+ 0 0 38 -4,-2.5 4,-1.5 2,-0.2 3,-0.7 0.979 110.8 44.7 -68.9 -56.0 84.8 21.3 49.3 154 162 A V H >X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.3 3,-0.6 0.930 111.2 57.2 -53.7 -46.4 82.0 21.9 46.8 155 163 A L H 3X S+ 0 0 55 -4,-2.4 4,-1.2 1,-0.3 -1,-0.3 0.805 105.5 49.0 -55.8 -34.8 84.5 23.0 44.2 156 164 A N H < - 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0 0 32 -5,-0.5 -1,-0.2 -2,-0.3 3,-0.1 0.402 41.5-138.1 -17.0 131.9 81.7 39.6 53.9 178 186 A E S S+ 0 0 142 1,-0.2 -34,-3.4 -35,-0.1 -33,-0.3 0.737 88.0 11.0 -70.4 -25.0 83.4 38.2 57.0 179 187 A S E -A 143 0A 38 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.988 67.5-168.0-151.6 151.2 80.4 36.0 57.7 180 188 A S E -A 142 0A 2 -38,-3.5 -38,-4.8 -2,-0.3 3,-0.1 -0.790 26.0-128.3-134.0 175.5 77.3 35.0 55.7 181 189 A G S S- 0 0 35 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.466 82.8 -0.6-105.2 -6.3 74.1 33.2 56.6 182 190 A D - 0 0 82 -40,-0.1 2,-0.4 63,-0.1 -1,-0.3 -0.897 69.4-105.1-179.0 148.3 74.1 30.4 54.0 183 191 A M E - c 0 247B 2 63,-1.9 65,-2.0 -2,-0.3 2,-0.4 -0.712 30.7-174.9 -85.6 130.9 76.0 29.0 51.1 184 192 A D E - c 0 248B 23 -14,-0.4 -14,-2.0 -2,-0.4 2,-0.5 -0.900 3.5-169.3-132.7 102.2 74.6 29.7 47.6 185 193 A V E -Bc 169 249B 2 63,-2.2 65,-1.8 -2,-0.4 2,-0.3 -0.762 9.5-149.7 -96.2 127.4 76.3 28.0 44.6 186 194 A L E -Bc 168 250B 1 -18,-3.5 -18,-1.3 -2,-0.5 2,-0.4 -0.650 21.3-164.8 -89.5 143.6 75.5 28.9 41.0 187 195 A L E +Bc 167 251B 2 63,-2.2 65,-4.0 -2,-0.3 2,-0.3 -0.960 18.6 152.1-145.0 141.1 75.8 26.2 38.5 188 196 A T E -Bc 166 252B 0 -22,-1.9 -22,-1.6 -2,-0.4 5,-0.1 -0.903 17.4-159.2-147.3 174.8 76.1 25.7 34.9 189 197 A H E > - 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0 0 95 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.610 38.7-168.9 -75.5 112.6 75.8 37.7 24.5 305 313 A V + 0 0 19 -2,-0.5 -47,-0.2 -50,-0.3 -48,-0.2 -0.891 20.7 166.7-108.4 115.2 77.5 37.5 27.9 306 314 A D S S- 0 0 124 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.376 74.9 -6.7-105.6 3.5 80.7 35.4 28.4 307 315 A S S > S- 0 0 46 1,-0.0 4,-0.9 -50,-0.0 -1,-0.3 -0.899 81.0 -88.6 177.7 166.6 81.7 36.9 31.8 308 316 A E H > S+ 0 0 5 -2,-0.3 4,-1.9 1,-0.2 12,-0.1 0.683 126.7 63.7 -60.8 -20.5 80.6 39.7 34.3 309 317 A K H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.976 93.3 56.2 -64.3 -61.0 83.0 41.7 32.2 310 318 A D H > S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.757 109.0 51.3 -44.1 -34.5 80.9 41.3 29.1 311 319 A I H X S+ 0 0 1 -4,-0.9 4,-1.8 2,-0.2 3,-0.3 0.988 110.3 42.1 -68.3 -65.2 78.1 42.9 31.1 312 320 A F H <>S+ 0 0 0 -4,-1.9 5,-1.5 1,-0.3 -2,-0.2 0.902 112.1 57.5 -44.3 -54.7 79.7 46.0 32.5 313 321 A D H ><5S+ 0 0 73 -4,-2.5 3,-2.4 3,-0.3 -1,-0.3 0.877 104.1 54.6 -40.7 -55.1 81.3 46.6 29.1 314 322 A Y H 3<5S+ 0 0 61 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.919 112.0 39.4 -47.5 -58.9 77.9 46.6 27.7 315 323 A I T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.378 117.8-120.9 -77.3 10.0 76.6 49.2 29.9 316 324 A Q T < 5 + 0 0 135 -3,-2.4 -3,-0.3 -5,-0.3 2,-0.2 0.930 63.0 143.9 50.1 57.6 80.0 50.7 29.3 317 325 A W < - 0 0 62 -5,-1.5 2,-0.6 -6,-0.1 -1,-0.2 -0.722 58.0 -84.8-122.0 170.9 80.9 50.7 33.0 318 326 A K - 0 0 129 -2,-0.2 -6,-0.0 1,-0.1 2,-0.0 -0.656 49.1-114.3 -78.6 114.0 83.9 50.2 35.4 319 327 A Y - 0 0 96 -2,-0.6 2,-0.6 1,-0.1 -1,-0.1 -0.283 34.3-147.6 -53.1 121.9 84.4 46.5 36.1 320 328 A R - 0 0 36 -12,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.883 7.5-132.6-101.5 117.2 83.7 46.0 39.8 321 329 A E > - 0 0 128 -2,-0.6 3,-0.5 1,-0.1 4,-0.2 -0.303 36.0-107.7 -59.5 146.2 85.5 43.5 41.8 322 330 A P G > S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.835 117.7 61.9 -47.6 -38.5 82.9 41.6 43.8 323 331 A K G > S+ 0 0 123 1,-0.3 3,-0.7 2,-0.1 -146,-0.1 0.933 103.6 47.2 -51.0 -56.7 84.1 43.4 47.0 324 332 A D G < S+ 0 0 61 -3,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.207 82.5 93.9 -74.4 13.8 83.2 46.9 45.7 325 333 A R G < + 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -55,-0.2 0.312 54.2 114.3 -87.8 10.3 79.8 45.9 44.5 326 334 A S < 0 0 67 -3,-0.7 -56,-0.6 1,-0.2 -1,-0.2 0.949 360.0 360.0 -45.3 -75.1 78.6 47.1 47.9 327 335 A E 0 0 158 -3,-0.2 -1,-0.2 -58,-0.2 -2,-0.1 0.322 360.0 360.0-123.7 360.0 76.5 50.0 46.9