==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-96 1ZQR . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-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) . 18165.0 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 . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.3 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 . 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 . 16 4.9 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 1 2 0 1 3 0 2 0 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 218 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -22.4 67.1 57.5 56.4 2 10 A T + 0 0 123 37,-0.1 4,-0.2 3,-0.1 3,-0.1 0.396 360.0 68.8-159.8 -22.0 67.0 58.9 60.0 3 11 A L S S+ 0 0 53 1,-0.2 42,-0.2 36,-0.1 36,-0.0 0.632 116.9 29.8 -80.5 -17.2 64.7 61.9 60.2 4 12 A N S > S+ 0 0 9 40,-0.1 4,-2.5 35,-0.1 3,-0.5 0.115 89.8 115.5-123.4 8.3 61.7 59.6 59.5 5 13 A G H >> S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 4,-1.5 0.887 73.7 48.4 -40.9 -92.4 63.1 56.4 61.2 6 14 A G H 3> S+ 0 0 36 1,-0.3 4,-1.2 -4,-0.2 -1,-0.3 0.605 115.7 50.0 -25.5 -32.0 60.7 56.0 64.1 7 15 A I H 3> S+ 0 0 7 -3,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.969 113.0 41.9 -77.5 -50.7 58.0 56.5 61.5 8 16 A T H S+ 0 0 36 -4,-1.4 5,-1.7 -5,-0.3 4,-0.2 0.890 109.4 43.1 -61.0 -44.6 52.1 42.0 62.0 18 26 A E H <5S+ 0 0 9 -4,-1.0 6,-0.8 -3,-0.2 -1,-0.2 0.819 114.7 53.1 -68.2 -34.1 48.9 42.1 59.7 19 27 A K H <5S+ 0 0 89 -4,-1.5 -2,-0.2 4,-0.2 -1,-0.2 0.962 126.0 19.9 -62.5 -54.5 50.9 40.2 57.2 20 28 A N T <5S+ 0 0 20 -4,-2.7 -3,-0.2 4,-0.1 -2,-0.1 0.962 131.8 30.1 -83.1 -87.3 51.8 37.4 59.7 21 29 A V T 5S+ 0 0 29 -4,-0.2 2,-0.2 -5,-0.2 -3,-0.2 0.806 129.5 38.9 -51.0 -29.9 49.6 37.2 62.8 22 30 A S S + 0 0 28 -6,-0.8 4,-3.4 1,-0.2 5,-0.3 -0.363 21.5 169.5 -68.6 61.2 45.3 41.3 56.2 25 33 A I H > S+ 0 0 108 -2,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.816 79.5 42.5 -39.7 -46.5 47.2 41.3 52.8 26 34 A H H > S+ 0 0 145 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.963 113.9 47.7 -68.2 -55.0 45.9 44.9 52.0 27 35 A K H > S+ 0 0 108 2,-0.3 4,-3.1 1,-0.3 -2,-0.2 0.927 117.2 45.4 -49.8 -51.6 46.3 46.5 55.4 28 36 A Y H X S+ 0 0 31 -4,-3.4 4,-1.5 1,-0.3 -1,-0.3 0.961 112.0 49.2 -54.7 -54.4 49.7 45.1 55.4 29 37 A N H X S+ 0 0 83 -4,-2.9 4,-1.2 -5,-0.3 -2,-0.3 0.790 111.9 54.0 -52.9 -33.3 50.1 46.2 51.8 30 38 A A H X S+ 0 0 33 -4,-3.2 4,-1.7 1,-0.2 3,-0.4 0.958 104.0 51.5 -66.1 -57.8 48.9 49.7 53.1 31 39 A Y H X S+ 0 0 12 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.720 109.2 51.9 -50.6 -34.9 51.4 50.0 56.0 32 40 A R H X S+ 0 0 135 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.815 105.4 49.7 -75.7 -41.6 54.4 49.4 53.6 33 41 A K H >X S+ 0 0 70 -4,-1.2 4,-3.2 -3,-0.4 3,-0.7 0.979 115.8 45.3 -65.0 -47.1 53.7 51.9 50.8 34 42 A A H 3X S+ 0 0 0 -4,-1.7 4,-3.8 1,-0.3 5,-0.4 0.981 112.4 48.5 -54.6 -64.5 53.2 54.6 53.4 35 43 A A H 3< S+ 0 0 6 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.668 114.9 51.5 -48.0 -18.7 56.3 53.5 55.3 36 44 A S H > - 0 0 34 1,-0.1 4,-2.5 -3,-0.1 3,-0.8 -0.989 67.9-116.2-156.5 153.3 52.3 65.9 62.5 48 56 A G H 3> S+ 0 0 0 -2,-0.3 4,-4.1 1,-0.3 5,-0.3 0.939 118.7 57.0 -50.3 -53.8 49.9 63.4 61.1 49 57 A A H 34 S+ 0 0 66 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.770 107.4 49.9 -46.4 -36.1 48.3 66.2 59.3 50 58 A E H X4 S+ 0 0 35 -3,-0.8 3,-1.0 2,-0.2 -1,-0.3 0.933 114.1 41.8 -71.3 -50.1 51.6 66.8 57.8 51 59 A A H >< S+ 0 0 0 -4,-2.5 3,-5.7 1,-0.2 -2,-0.2 0.952 101.7 72.7 -54.4 -56.4 52.2 63.3 56.8 52 60 A K T 3< S+ 0 0 95 -4,-4.1 -1,-0.2 1,-0.4 -2,-0.2 0.593 79.4 72.8 -34.0 -31.7 48.7 62.9 55.6 53 61 A K T < S+ 0 0 165 -3,-1.0 -1,-0.4 -4,-0.4 -2,-0.2 0.802 85.4 100.9 -63.7 -21.7 49.4 65.1 52.7 54 62 A L S < S- 0 0 40 -3,-5.7 2,-0.3 -4,-0.2 3,-0.3 0.127 85.6-100.8 -58.3 171.2 51.3 62.1 51.5 55 63 A P S S+ 0 0 87 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.721 108.1 16.1 -89.9 147.9 50.2 59.5 49.0 56 64 A G S S+ 0 0 34 -2,-0.3 2,-0.9 1,-0.2 -22,-0.2 0.355 98.8 118.9 70.3 -7.8 48.9 56.3 50.7 57 65 A V + 0 0 10 -3,-0.3 -1,-0.2 -6,-0.2 2,-0.2 -0.792 36.9 159.6 -97.5 122.0 48.6 58.1 53.9 58 66 A G > - 0 0 27 -2,-0.9 4,-1.8 -3,-0.1 5,-0.1 -0.409 55.6 -72.9-116.5-162.4 45.2 58.2 55.1 59 67 A T H > S+ 0 0 81 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.732 121.8 54.4 -66.1 -33.4 43.4 58.8 58.4 60 68 A K H > S+ 0 0 143 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.954 114.5 35.1 -71.6 -55.0 44.4 55.5 59.9 61 69 A I H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.936 119.2 52.7 -66.8 -45.8 48.1 55.6 59.6 62 70 A A H X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.3 -2,-0.2 0.914 106.1 52.2 -54.8 -46.0 48.2 59.4 60.1 63 71 A E H X S+ 0 0 141 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.914 110.7 51.6 -54.3 -42.3 46.2 59.0 63.3 64 72 A K H X S+ 0 0 37 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.935 103.5 55.2 -58.2 -53.4 48.9 56.5 64.2 65 73 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.847 103.0 56.4 -53.5 -36.7 51.7 58.9 63.4 66 74 A D H X S+ 0 0 68 -4,-2.1 4,-3.6 1,-0.2 -1,-0.2 0.948 107.6 48.6 -61.6 -44.0 50.3 61.5 65.8 67 75 A E H X S+ 0 0 84 -4,-1.6 4,-2.2 -3,-0.3 6,-0.5 0.872 111.9 47.8 -58.6 -45.5 50.4 59.0 68.6 68 76 A F H < S+ 0 0 53 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.888 117.7 43.1 -60.9 -44.1 53.9 57.8 67.9 69 77 A L H < S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 116.3 46.1 -68.8 -49.4 55.1 61.5 67.7 70 78 A A H < S+ 0 0 85 -4,-3.6 2,-0.3 -5,-0.3 -2,-0.2 0.990 126.9 22.3 -58.7 -70.3 53.1 62.7 70.7 71 79 A T S < S- 0 0 73 -4,-2.2 2,-1.1 2,-0.3 -1,-0.2 -0.779 89.2-115.3 -99.2 141.3 54.1 59.9 73.1 72 80 A G S S+ 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.137 93.6 45.0 -64.7 25.9 57.3 57.8 72.3 73 81 A K - 0 0 101 -2,-1.1 -2,-0.3 -6,-0.5 2,-0.3 -0.861 68.4-131.7-152.6-177.7 55.0 54.8 71.8 74 82 A L > - 0 0 2 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.985 12.2-147.6-142.6 132.8 51.9 53.2 70.3 75 83 A R H >> S+ 0 0 155 -2,-0.3 4,-2.7 2,-0.2 3,-0.8 0.989 103.5 53.7 -71.3 -50.1 49.5 51.1 72.2 76 84 A K H 3> S+ 0 0 70 1,-0.3 4,-1.1 2,-0.2 5,-0.2 0.820 111.8 47.7 -47.6 -35.0 48.7 49.0 69.1 77 85 A L H 3> S+ 0 0 14 2,-0.1 4,-1.5 1,-0.1 -1,-0.3 0.886 113.8 46.0 -74.2 -37.3 52.4 48.6 68.9 78 86 A E H S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.847 91.4 49.7 -54.1 -45.0 51.6 35.6 73.2 85 93 A T H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 114.4 44.1 -65.3 -45.5 49.9 34.3 70.1 86 94 A S H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.904 112.9 54.2 -65.5 -38.2 51.3 36.8 67.9 87 95 A S H >X S+ 0 0 51 -4,-2.8 4,-1.3 1,-0.2 3,-1.2 0.968 108.1 48.4 -48.9 -66.3 54.7 36.3 69.6 88 96 A S H >X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.3 3,-0.6 0.777 104.5 59.6 -46.1 -50.0 54.6 32.7 69.0 89 97 A I H 3X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.3 -1,-0.3 0.867 106.3 48.0 -54.5 -38.3 53.7 33.2 65.4 90 98 A N H < S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 6,-0.2 0.834 99.6 70.4 -47.9 -37.0 57.6 29.5 64.9 93 101 A T H 3< S+ 0 0 43 -4,-1.4 -1,-0.3 -5,-0.3 5,-0.2 0.882 83.3 71.7 -49.7 -39.5 58.2 31.3 61.7 94 102 A R T << S+ 0 0 113 -3,-2.2 2,-0.9 -4,-0.5 -1,-0.3 0.587 72.4 100.3 -54.9 -15.5 62.0 30.9 62.5 95 103 A V S X S- 0 0 1 -3,-2.1 3,-5.3 -4,-0.2 37,-0.1 -0.726 86.0-120.5 -82.0 103.6 61.8 27.2 61.7 96 104 A S T 3 S+ 0 0 39 -2,-0.9 35,-0.4 1,-0.3 36,-0.2 -0.310 107.9 32.6 -50.9 118.6 63.1 26.8 58.2 97 105 A G T 3 S+ 0 0 28 1,-0.3 2,-0.5 -4,-0.2 -1,-0.3 -0.180 97.4 115.3 117.2 -26.0 60.2 25.3 56.4 98 106 A I < + 0 0 15 -3,-5.3 -1,-0.3 -5,-0.2 3,-0.0 -0.669 41.0 175.1 -83.2 121.1 57.9 27.3 58.7 99 107 A G > - 0 0 27 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.733 47.9 -96.3-114.9 160.4 55.8 30.0 57.0 100 108 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.855 121.1 55.5 -47.0 -46.1 53.0 32.3 58.5 101 109 A S H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.957 113.3 38.2 -54.8 -59.2 50.2 29.9 57.4 102 110 A A H > S+ 0 0 20 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.891 113.2 57.6 -63.2 -37.5 51.6 26.9 59.1 103 111 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.818 109.9 46.0 -60.2 -35.1 52.8 28.9 62.1 104 112 A R H X S+ 0 0 58 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.932 112.3 50.3 -72.8 -47.0 49.2 30.0 62.5 105 113 A K H X S+ 0 0 96 -4,-2.7 4,-1.7 1,-0.2 3,-0.5 0.962 109.1 49.7 -55.6 -56.8 48.0 26.5 62.1 106 114 A F H X>S+ 0 0 0 -4,-3.7 5,-3.0 1,-0.2 4,-1.0 0.848 111.4 55.5 -51.1 -37.0 50.5 25.0 64.7 107 115 A V H <5S+ 0 0 6 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.857 102.3 48.4 -65.3 -44.0 49.2 27.7 67.0 108 116 A D H <5S+ 0 0 142 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.862 111.0 54.7 -64.9 -28.8 45.6 27.1 66.9 109 117 A E H <5S- 0 0 112 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.756 124.9-108.7 -70.4 -29.0 46.6 23.5 67.6 110 118 A G T <5S+ 0 0 32 -4,-1.0 2,-1.0 -5,-0.2 3,-0.3 0.443 73.1 141.4 113.9 -2.5 48.5 24.8 70.6 111 119 A I < + 0 0 6 -5,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.538 15.0 144.0 -73.5 98.4 52.0 24.2 69.1 112 120 A K + 0 0 69 -2,-1.0 -1,-0.2 -3,-0.1 -20,-0.2 0.854 46.8 40.4-106.6 -51.3 53.8 27.2 70.3 113 121 A T S > S- 0 0 62 -3,-0.3 4,-0.7 1,-0.1 -3,-0.0 0.111 82.5 -97.3 -88.0-159.4 57.2 26.5 71.2 114 122 A L H > S+ 0 0 26 2,-0.2 4,-2.1 3,-0.1 -1,-0.1 0.926 123.8 44.6 -79.3 -53.2 60.3 24.6 70.1 115 123 A E H > S+ 0 0 120 2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.889 111.3 54.3 -59.5 -47.2 59.6 21.7 72.5 116 124 A D H 4 S+ 0 0 54 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.907 107.5 52.9 -55.7 -39.2 56.0 21.7 71.4 117 125 A L H >< S+ 0 0 1 -4,-0.7 3,-1.2 2,-0.2 -2,-0.3 0.956 111.5 43.9 -61.5 -45.5 57.4 21.4 67.9 118 126 A R H >< S+ 0 0 127 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.990 103.4 62.9 -61.1 -60.5 59.5 18.4 68.9 119 127 A K T 3< S+ 0 0 151 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.522 112.9 38.7 -42.2 -11.6 56.7 16.6 70.8 120 128 A N T X + 0 0 36 -3,-1.2 3,-1.8 -4,-0.5 -1,-0.3 -0.340 66.5 148.8-140.8 57.0 54.8 16.4 67.6 121 129 A E G X S+ 0 0 104 -3,-1.4 3,-0.8 1,-0.3 -2,-0.1 0.612 71.3 67.8 -60.9 -19.5 57.4 15.8 65.1 122 130 A D G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -4,-0.2 -3,-0.1 0.813 88.2 63.6 -68.7 -32.7 54.8 14.0 63.4 123 131 A K G < S+ 0 0 75 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.2 0.543 94.8 77.9 -67.1 -16.1 53.0 17.2 62.7 124 132 A L S < S- 0 0 7 -3,-0.8 2,-0.1 -4,-0.2 -3,-0.0 -0.626 74.3-128.1 -99.2 154.3 55.9 18.5 60.5 125 133 A N > - 0 0 84 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.335 41.7 -90.1 -89.3-179.8 57.0 17.8 57.0 126 134 A H H > S+ 0 0 119 2,-0.2 4,-3.8 3,-0.2 5,-0.2 0.946 126.3 47.3 -49.1 -58.8 60.5 16.7 56.1 127 135 A H H >> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.3 3,-0.6 0.935 115.6 42.8 -44.1 -78.2 61.7 20.2 55.5 128 136 A Q H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.723 113.0 56.2 -44.5 -31.8 60.3 21.5 58.7 129 137 A R H 3X S+ 0 0 97 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.992 108.7 44.5 -67.5 -53.9 61.6 18.5 60.3 130 138 A I H < S+ 0 0 10 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.3 0.876 108.0 49.6 -58.5 -39.1 63.7 21.5 63.4 133 141 A K H 3< S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 121.3 32.9 -65.7 -43.3 66.7 19.4 63.8 134 142 A Y T 3X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 -0.213 73.9 125.9-112.0 43.4 69.1 22.1 62.9 135 143 A F H <> S+ 0 0 25 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.929 78.0 46.6 -64.7 -48.8 67.5 25.3 64.2 136 144 A G H > S+ 0 0 45 -3,-0.2 4,-1.1 1,-0.2 3,-0.5 0.965 119.1 39.1 -59.7 -56.1 70.5 26.4 66.3 137 145 A D H >4 S+ 0 0 36 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.912 111.5 61.7 -58.9 -39.7 73.1 25.8 63.5 138 146 A F H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.1 44.0 -52.1 -42.3 70.6 27.2 61.0 139 147 A E H 3< S+ 0 0 99 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.635 95.5 100.5 -81.2 -19.2 70.5 30.5 62.7 140 148 A K S << S- 0 0 113 -4,-1.1 2,-0.1 -3,-0.7 -3,-0.0 -0.236 74.9-113.4 -67.2 155.6 74.3 30.7 63.2 141 149 A R - 0 0 138 1,-0.0 40,-0.2 38,-0.0 -1,-0.1 -0.424 22.3-118.1 -85.6 164.2 76.5 32.8 60.8 142 150 A I E -A 180 0A 0 38,-4.9 38,-2.3 -2,-0.1 5,-0.1 -0.824 21.2-141.6-110.7 99.6 79.1 31.3 58.4 143 151 A P E >> -A 179 0A 43 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.316 14.8-133.3 -56.9 129.7 82.7 32.4 59.0 144 152 A R H 3> S+ 0 0 61 34,-1.8 4,-1.7 1,-0.3 35,-0.1 0.770 107.2 71.0 -50.5 -32.8 84.4 33.0 55.7 145 153 A E H >> S+ 0 0 127 33,-0.3 4,-1.2 1,-0.3 3,-0.7 0.952 108.0 35.5 -46.9 -56.7 87.2 31.0 57.2 146 154 A E H <> S+ 0 0 24 -3,-1.0 4,-3.5 1,-0.2 -2,-0.3 0.824 110.4 62.0 -63.8 -40.0 84.8 28.1 56.8 147 155 A M H 3X S+ 0 0 1 -4,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.669 104.3 53.6 -58.7 -22.3 83.4 29.5 53.5 148 156 A L H X S+ 0 0 83 -4,-1.2 4,-1.5 -3,-0.4 3,-0.7 0.978 107.6 42.7 -53.6 -69.9 87.3 24.2 48.4 153 161 A I H >X S+ 0 0 38 -4,-1.6 4,-1.6 1,-0.3 3,-0.6 0.869 113.8 53.0 -42.0 -62.9 85.7 20.9 48.8 154 162 A V H 3X S+ 0 0 2 -4,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.761 108.6 45.4 -50.6 -41.9 82.9 21.7 46.5 155 163 A L H < - 0 0 46 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.3 -0.999 52.4-152.3-134.0 133.5 83.3 16.3 35.3 163 171 A S T 3 S+ 0 0 82 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.590 94.6 72.6 -75.8 -14.3 86.1 18.7 34.4 164 172 A E T 3 S+ 0 0 112 -5,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.325 78.1 116.2 -78.3 -2.8 83.7 20.6 32.1 165 173 A Y < - 0 0 21 -3,-0.9 2,-0.6 -7,-0.2 24,-0.2 -0.518 50.7-159.2 -78.7 133.0 81.9 22.0 35.3 166 174 A I E +B 188 0B 54 22,-2.2 22,-1.5 -2,-0.2 2,-0.4 -0.916 17.0 172.3-120.4 101.9 81.7 25.6 36.2 167 175 A A E +B 187 0B 19 -2,-0.6 2,-0.4 20,-0.2 20,-0.2 -0.882 2.3 175.6-109.4 141.3 80.9 26.3 40.0 168 176 A T E -B 186 0B 31 18,-1.5 18,-2.9 -2,-0.4 2,-1.0 -0.988 27.9-134.6-147.6 135.9 81.0 29.6 41.5 169 177 A V E -B 185 0B 1 -2,-0.4 16,-0.2 16,-0.2 5,-0.1 -0.822 35.6-171.7 -98.2 104.7 80.1 30.6 44.9 170 178 A C E +B 184 0B 4 14,-1.1 14,-0.5 -2,-1.0 3,-0.4 -0.162 33.5 46.7 -85.7 177.3 78.0 33.7 44.6 171 179 A G S >> S- 0 0 16 90,-0.3 4,-0.9 1,-0.2 3,-0.6 -0.457 109.3 -19.7 88.9-161.6 76.6 36.3 47.0 172 180 A S T 34>S+ 0 0 36 1,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.622 132.9 59.2 -50.1 -29.5 78.2 38.3 50.0 173 181 A F T >45S+ 0 0 9 -3,-0.4 3,-2.0 3,-0.2 -1,-0.2 0.922 103.9 50.6 -63.3 -53.2 81.0 35.7 50.2 174 182 A R T <45S+ 0 0 56 -3,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.728 107.1 55.7 -56.3 -32.6 82.0 36.4 46.6 175 183 A R T 3<5S- 0 0 65 -4,-0.9 -1,-0.3 148,-0.1 -2,-0.2 0.122 127.1 -96.3 -89.9 16.3 82.1 40.0 47.5 176 184 A G T < 5 + 0 0 39 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.286 60.8 171.0 91.1 -18.1 84.6 39.6 50.4 177 185 A A < - 0 0 26 -5,-2.7 -1,-0.2 1,-0.2 -33,-0.1 0.189 36.7-138.5 -31.2 131.3 82.1 39.4 53.4 178 186 A E S S+ 0 0 149 1,-0.2 -34,-1.8 -35,-0.1 2,-0.3 0.756 87.2 21.4 -71.2 -14.7 83.7 38.4 56.6 179 187 A S E -A 143 0A 42 -36,-0.2 2,-0.2 -35,-0.1 -1,-0.2 -0.998 65.1-166.6-152.8 151.1 80.7 36.2 57.2 180 188 A S E -A 142 0A 2 -38,-2.3 -38,-4.9 -2,-0.3 3,-0.1 -0.780 20.7-140.6-131.2 172.7 77.8 34.5 55.4 181 189 A G S S- 0 0 32 1,-0.5 65,-0.3 -2,-0.2 2,-0.3 0.601 82.3 -16.7-109.2 -16.5 74.5 32.7 56.1 182 190 A D S S- 0 0 65 -40,-0.1 -1,-0.5 63,-0.1 2,-0.3 -0.851 76.6 -98.4-179.4 151.3 74.4 29.8 53.7 183 191 A M E - c 0 247B 0 63,-1.0 65,-0.8 -2,-0.3 2,-0.6 -0.638 26.9-155.4 -89.8 141.9 76.4 29.0 50.7 184 192 A D E -Bc 170 248B 24 -14,-0.5 -14,-1.1 -2,-0.3 2,-0.8 -0.923 7.2-161.9-112.2 119.0 75.1 29.7 47.2 185 193 A V E -Bc 169 249B 2 63,-3.7 65,-1.7 -2,-0.6 2,-0.4 -0.768 5.0-156.4-111.2 107.7 76.5 27.7 44.5 186 194 A L E -Bc 168 250B 5 -18,-2.9 -18,-1.5 -2,-0.8 2,-0.4 -0.543 22.1-169.6 -70.6 121.3 76.1 28.9 40.9 187 195 A L E +B 167 0B 2 63,-2.8 65,-0.4 -2,-0.4 2,-0.3 -0.946 15.0 151.7-124.3 142.4 76.3 25.9 38.6 188 196 A T E -B 166 0B 0 -22,-1.5 -22,-2.2 -2,-0.4 5,-0.1 -0.964 17.7-166.5-152.2 166.2 76.6 25.5 34.8 189 197 A H B > -g 253 0C 12 63,-0.8 3,-1.9 3,-0.4 65,-0.8 -0.961 30.6-124.4-157.5 142.9 77.9 23.3 32.0 190 198 A P T 3 S+ 0 0 58 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.825 110.9 65.2 -52.6 -41.4 78.5 23.7 28.3 191 199 A S T 3 S+ 0 0 55 -27,-0.1 2,-0.3 1,-0.1 11,-0.1 0.335 100.7 60.5 -67.8 6.7 76.4 20.8 27.7 192 200 A F < + 0 0 13 -3,-1.9 62,-3.8 60,-0.1 -3,-0.4 -0.949 64.8 135.0-142.5 116.7 73.4 22.7 29.1 193 201 A T - 0 0 29 3,-0.4 3,-0.2 60,-0.4 5,-0.2 -0.993 66.2 -57.2-161.0 157.1 72.0 26.0 27.8 194 202 A S S S+ 0 0 69 -2,-0.3 4,-0.0 1,-0.2 62,-0.0 0.336 131.2 13.9 7.0 -63.4 68.8 28.0 26.9 195 203 A E S S+ 0 0 154 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.902 91.0 105.9 -92.3 -57.7 67.6 25.3 24.3 196 204 A S S S- 0 0 49 -3,-0.2 2,-2.4 1,-0.2 -3,-0.4 -0.002 85.3-117.7 -37.6 87.8 69.6 22.0 24.9 197 205 A T - 0 0 127 -2,-0.1 -1,-0.2 -5,-0.1 -3,-0.1 -0.021 51.7 -83.0 -35.8 62.7 66.8 20.3 26.5 198 206 A K - 0 0 95 -2,-2.4 -5,-0.1 -5,-0.2 27,-0.1 0.165 21.5-145.2 65.1 177.8 68.1 19.7 29.9 199 207 A Q >> + 0 0 75 25,-0.2 3,-2.3 -7,-0.1 4,-0.6 -0.205 18.7 179.6 171.7 67.2 70.3 17.2 31.5 200 208 A P H >> S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.789 81.2 68.1 -49.6 -35.6 68.8 17.0 35.0 201 209 A K H 3> S+ 0 0 127 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.870 84.3 73.0 -55.0 -37.4 71.4 14.5 35.7 202 210 A L H <> S+ 0 0 1 -3,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.895 107.0 33.8 -43.2 -50.4 73.9 17.4 35.4 203 211 A L H S+ 0 0 2 -4,-2.0 5,-2.3 2,-0.2 6,-1.2 0.789 114.1 46.0 -61.5 -39.5 78.9 15.7 47.6 211 219 A Q H ><5S+ 0 0 79 -4,-1.6 3,-2.7 4,-0.2 -2,-0.2 0.899 106.8 62.3 -68.5 -47.0 76.8 13.2 49.7 212 220 A K H 3<5S+ 0 0 156 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.778 110.9 36.8 -50.2 -38.2 79.1 10.4 48.6 213 221 A V T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.381 119.4-110.8-102.9 10.2 81.9 12.1 50.3 214 222 A H T < 5S+ 0 0 146 -3,-2.7 -3,-0.2 2,-0.2 -2,-0.1 0.445 86.6 114.4 78.2 4.1 79.7 13.3 53.3 215 223 A F S -g 189 0C 24 0, 0.0 3,-1.5 0, 0.0 -60,-0.4 -0.452 36.1-133.2 -61.8 123.8 72.3 27.3 30.8 254 262 A K G > S+ 0 0 53 -62,-3.8 3,-0.9 -65,-0.8 4,-0.3 0.766 104.0 69.0 -51.7 -24.8 76.0 28.0 30.2 255 263 A D G 3 S+ 0 0 70 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.105 107.0 33.9 -83.8 26.7 74.7 30.7 27.9 256 264 A Q G <> S+ 0 0 39 -3,-1.5 4,-1.1 33,-0.1 -1,-0.2 0.148 83.8 111.2-163.9 23.6 73.3 32.8 30.9 257 265 A Y H <> S+ 0 0 4 -3,-0.9 4,-3.4 48,-0.2 3,-0.3 0.993 73.7 49.1 -64.3 -71.7 75.8 32.2 33.7 258 266 A Y H > S+ 0 0 39 2,-0.3 4,-3.8 -4,-0.3 5,-0.2 0.722 108.5 53.3 -45.1 -42.4 77.6 35.5 34.1 259 267 A C H > S+ 0 0 7 29,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.969 117.8 37.9 -61.8 -50.6 74.4 37.5 34.2 260 268 A G H X S+ 0 0 13 -4,-1.1 4,-3.0 -3,-0.3 -2,-0.3 0.867 117.1 51.7 -62.9 -37.4 73.2 35.3 36.9 261 269 A V H X S+ 0 0 1 -4,-3.4 4,-1.0 2,-0.2 -90,-0.3 0.978 115.7 41.4 -56.9 -58.3 76.6 35.2 38.3 262 270 A L H < S+ 0 0 5 -4,-3.8 4,-0.3 1,-0.2 -2,-0.2 0.802 118.2 48.2 -50.1 -51.8 76.8 39.0 38.3 263 271 A Y H >< S+ 0 0 70 -4,-3.7 3,-1.8 -5,-0.2 -1,-0.2 0.936 110.2 46.6 -59.9 -61.3 73.3 39.3 39.5 264 272 A F H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.702 105.4 66.5 -60.4 -20.2 73.4 36.9 42.4 265 273 A T T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.606 89.8 140.7 -76.3 -19.5 76.7 38.6 43.4 266 274 A G < - 0 0 5 -3,-1.8 2,-0.2 -4,-0.3 -1,-0.2 -0.111 67.9-149.2 57.2-158.6 75.0 41.8 44.2 267 275 A S > - 0 0 10 59,-0.3 4,-4.5 -3,-0.1 5,-0.2 0.626 36.2-132.8 -75.5 167.9 74.9 43.9 45.9 268 276 A D H > S+ 0 0 126 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.891 113.8 39.8 -44.4 -48.8 71.2 44.5 45.6 269 277 A I H > S+ 0 0 71 57,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.900 111.5 55.7 -71.2 -42.2 72.2 48.1 45.2 270 278 A F H > S+ 0 0 0 56,-0.3 4,-3.4 55,-0.3 -2,-0.2 0.932 114.1 43.7 -53.3 -45.4 75.2 47.4 43.1 271 279 A N H X S+ 0 0 9 -4,-4.5 4,-3.2 2,-0.2 5,-0.3 0.979 112.9 48.3 -58.3 -63.8 72.9 45.5 40.8 272 280 A K H X S+ 0 0 148 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.843 115.3 46.8 -46.5 -46.5 70.1 48.0 40.8 273 281 A N H X S+ 0 0 101 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.957 113.9 45.6 -66.4 -51.7 72.6 50.8 40.1 274 282 A M H >X S+ 0 0 3 -4,-3.4 4,-2.3 -5,-0.2 3,-0.6 0.968 115.0 48.6 -53.6 -55.2 74.5 49.0 37.3 275 283 A R H 3X S+ 0 0 64 -4,-3.2 4,-1.3 1,-0.3 -1,-0.2 0.868 106.9 55.7 -48.4 -47.1 71.2 47.9 35.8 276 284 A A H 3X S+ 0 0 52 -4,-2.2 4,-0.7 -5,-0.3 3,-0.5 0.905 109.2 49.6 -52.0 -44.3 70.0 51.5 36.1 277 285 A H H XX S+ 0 0 37 -4,-2.1 4,-2.4 -3,-0.6 3,-1.3 0.903 100.3 60.3 -60.1 -50.4 73.1 52.4 34.1 278 286 A A H 3<>S+ 0 0 0 -4,-2.3 5,-4.8 1,-0.3 -1,-0.2 0.798 98.8 63.0 -49.7 -32.0 72.5 49.8 31.3 279 287 A L H ><5S+ 0 0 82 -4,-1.3 3,-0.7 -3,-0.5 -1,-0.3 0.834 106.9 39.8 -62.4 -41.1 69.2 51.7 30.7 280 288 A E H <<5S+ 0 0 135 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.946 109.6 59.7 -73.5 -48.1 71.0 54.8 29.7 281 289 A K T 3<5S- 0 0 90 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.240 127.2-101.1 -64.7 11.8 73.6 53.0 27.9 282 290 A G T < 5S+ 0 0 28 -3,-0.7 11,-3.8 1,-0.2 -3,-0.2 0.686 85.6 107.7 73.4 25.4 70.8 51.6 25.7 283 291 A F E < -H 292 0D 32 -5,-4.8 2,-0.4 9,-0.3 -1,-0.2 -0.663 56.2-139.0-125.6 179.7 70.5 48.2 27.4 284 292 A T E -H 291 0D 35 7,-1.1 7,-1.4 -2,-0.2 2,-0.4 -0.987 18.1-165.5-144.0 130.6 68.5 46.0 29.7 285 293 A I E +H 290 0D 20 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.944 16.9 148.1-125.2 144.7 69.8 43.8 32.3 286 294 A N E > -H 289 0D 42 3,-1.1 3,-2.9 -2,-0.4 2,-0.1 -0.915 62.0 -71.8-171.9 148.9 68.2 41.0 34.3 287 295 A E T 3 S+ 0 0 61 1,-0.3 -24,-0.1 -2,-0.3 -23,-0.1 0.446 125.4 29.6 -16.0 -28.4 69.1 37.7 36.0 288 296 A Y T 3 S- 0 0 131 -29,-0.2 -1,-0.3 -2,-0.1 -29,-0.2 0.677 117.3 -11.8-120.8 -15.6 69.5 35.9 32.7 289 297 A T E < -H 286 0D 21 -3,-2.9 -3,-1.1 -30,-0.1 2,-0.2 -0.700 50.1-105.8-152.2-153.5 70.6 38.2 30.0 290 298 A I E -H 285 0D 0 -2,-0.2 13,-4.3 -5,-0.2 -5,-0.2 -0.653 28.8-180.0-166.2 100.1 71.4 41.4 28.3 291 299 A R E -H 284 0D 92 -7,-1.4 -7,-1.1 11,-0.3 2,-0.2 -0.874 26.0-122.1-110.4 133.9 69.3 42.9 25.6 292 300 A P E -H 283 0D 41 0, 0.0 -9,-0.3 0, 0.0 2,-0.3 -0.485 33.5-112.7 -72.6 136.4 69.8 46.2 23.7 293 301 A L - 0 0 56 -11,-3.8 2,-0.5 -2,-0.2 5,-0.1 -0.533 19.7-152.0 -80.2 133.9 67.1 48.8 23.8 294 302 A G > - 0 0 21 -2,-0.3 3,-1.5 1,-0.1 -12,-0.0 -0.880 21.6-129.2-102.4 128.4 65.0 49.7 20.7 295 303 A V T 3 S+ 0 0 152 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.746 94.3 89.8 -49.8 -29.3 63.6 53.2 20.8 296 304 A T T 3 S- 0 0 129 2,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.504 124.5 -83.1 -46.1 -9.9 60.1 51.9 20.0 297 305 A G S < S+ 0 0 59 -3,-1.5 2,-0.3 1,-0.0 -1,-0.2 -0.407 103.9 7.9 135.4 -49.3 59.8 51.7 23.8 298 306 A V - 0 0 104 -5,-0.1 2,-0.3 -6,-0.0 -2,-0.2 -0.861 61.1-175.2-147.4 175.6 61.5 48.4 24.3 299 307 A A - 0 0 39 -2,-0.3 2,-0.2 -8,-0.1 -8,-0.1 -0.942 7.2-152.9-165.1 176.4 63.4 45.7 22.5 300 308 A G + 0 0 21 -2,-0.3 -16,-0.0 -10,-0.1 0, 0.0 -0.469 34.6 127.4-137.7-151.7 65.0 42.3 22.9 301 309 A E - 0 0 147 -2,-0.2 2,-0.3 -10,-0.2 -1,-0.0 0.920 56.0-122.2 83.6 83.4 67.8 40.2 21.5 302 310 A P - 0 0 65 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.368 24.9-129.7 -58.0 110.8 70.1 38.8 24.2 303 311 A L - 0 0 49 -13,-4.3 2,-0.2 -2,-0.3 -13,-0.1 -0.339 30.1 -99.0 -64.8 139.8 73.7 39.9 23.7 304 312 A P - 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.321 42.3-168.3 -64.5 126.5 76.4 37.1 23.8 305 313 A V + 0 0 24 -2,-0.2 -48,-0.2 -50,-0.2 -47,-0.1 -0.934 26.1 164.2-122.2 136.1 78.2 36.9 27.2 306 314 A D S S+ 0 0 106 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.489 72.0 1.6-117.9 -11.9 81.4 34.9 28.1 307 315 A S S >> S- 0 0 49 1,-0.0 3,-1.9 -50,-0.0 4,-0.9 -0.956 79.9 -89.0-174.3 157.1 82.2 36.6 31.3 308 316 A E H 3> S+ 0 0 3 -2,-0.3 4,-0.9 1,-0.3 -1,-0.0 0.639 122.1 63.8 -39.8 -25.2 81.4 39.2 33.9 309 317 A K H 3> S+ 0 0 86 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.922 92.1 59.9 -67.4 -51.1 83.4 41.5 31.7 310 318 A D H <> S+ 0 0 40 -3,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.845 104.8 48.3 -47.3 -48.0 81.1 41.3 28.6 311 319 A I H X S+ 0 0 1 -4,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.912 114.8 48.7 -62.7 -39.9 78.2 42.7 30.5 312 320 A F H <>S+ 0 0 0 -4,-0.9 5,-1.8 -3,-0.3 3,-0.4 0.980 110.8 47.3 -62.5 -59.2 80.7 45.4 31.7 313 321 A D H ><5S+ 0 0 71 -4,-3.3 3,-1.7 1,-0.2 -1,-0.2 0.852 107.0 60.4 -45.6 -46.8 82.1 46.2 28.3 314 322 A Y H 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.910 112.2 35.4 -46.1 -58.6 78.5 46.4 26.9 315 323 A I T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.011 113.1-123.9 -92.0 26.4 77.4 49.2 29.3 316 324 A Q T < 5 + 0 0 129 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.736 59.4 149.2 28.6 53.4 80.9 50.6 28.9 317 325 A W < - 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