==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-JUN-04 1TV9 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.KRAHN,W.M.BEARD,S.H.WILSON . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 71.6 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 8.8 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 3 0 0 0 3 0 0 1 0 1 0 1 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 5 A K 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.3 13.6 -14.8 4.4 2 6 A A - 0 0 67 1,-0.1 42,-0.1 44,-0.0 3,-0.1 -0.344 360.0-110.2 -71.5 145.9 17.0 -14.1 6.0 3 7 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.201 54.1 -70.4 -67.0 163.3 19.7 -16.7 6.4 4 8 A Q >> - 0 0 146 1,-0.2 3,-1.8 2,-0.1 4,-0.5 -0.308 37.1-132.5 -56.1 136.3 20.6 -18.0 9.9 5 9 A E H 3> S+ 0 0 129 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.753 104.0 76.8 -62.7 -20.3 22.4 -15.4 11.9 6 10 A T H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.788 83.9 65.0 -58.6 -30.0 24.8 -18.2 12.7 7 11 A L H <4 S- 0 0 55 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.987 131.1 -10.9 -58.2 -65.6 26.3 -17.8 9.2 8 12 A N H >X S+ 0 0 12 -4,-0.5 4,-2.5 37,-0.1 3,-0.7 0.149 91.4 123.7-126.7 20.9 27.8 -14.3 9.5 9 13 A G H 3X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.3 5,-0.3 0.814 73.2 58.6 -50.1 -39.8 26.4 -13.0 12.8 10 14 A G H 3> S+ 0 0 35 -4,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.920 111.9 41.9 -58.6 -42.5 29.9 -12.3 14.2 11 15 A I H <> S+ 0 0 3 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.947 114.8 48.4 -70.3 -48.8 30.6 -10.1 11.3 12 16 A T H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.885 112.0 49.8 -61.1 -39.3 27.3 -8.3 11.2 13 17 A D H X S+ 0 0 85 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.912 110.4 51.1 -65.2 -41.1 27.4 -7.7 15.0 14 18 A M H X S+ 0 0 7 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.925 111.7 46.6 -60.2 -45.2 30.9 -6.2 14.6 15 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.914 111.4 51.6 -65.0 -41.3 29.8 -3.9 11.8 16 20 A T H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 110.1 49.3 -63.3 -40.0 26.7 -2.8 13.8 17 21 A E H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.924 111.2 48.9 -64.9 -43.7 28.9 -2.0 16.8 18 22 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 109.8 53.9 -59.8 -42.8 31.3 -0.0 14.7 19 23 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.932 107.7 49.5 -56.1 -49.9 28.3 1.8 13.2 20 24 A N H X S+ 0 0 57 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.892 109.4 51.2 -59.5 -40.7 27.0 2.8 16.6 21 25 A F H X>S+ 0 0 34 -4,-2.2 4,-2.2 1,-0.2 5,-2.1 0.884 110.2 49.7 -66.1 -35.5 30.4 4.1 17.6 22 26 A E H <>S+ 0 0 18 -4,-2.3 6,-2.7 3,-0.2 5,-0.8 0.928 115.6 43.5 -68.9 -40.6 30.6 6.2 14.5 23 27 A K H <5S+ 0 0 61 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.965 125.9 29.1 -66.1 -52.1 27.1 7.6 15.1 24 28 A N H <5S+ 0 0 8 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.795 133.7 21.1 -83.5 -33.4 27.4 8.3 18.8 25 29 A V T <5S+ 0 0 23 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.848 129.2 36.3-104.6 -54.0 31.1 9.0 19.5 26 30 A S T > + 0 0 28 -6,-2.7 4,-2.0 1,-0.1 3,-0.8 -0.753 25.2 176.3-130.5 79.3 30.0 10.6 11.5 29 33 A I H 3> S+ 0 0 77 -2,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.782 78.4 55.3 -59.4 -29.7 26.4 9.7 10.5 30 34 A H H 3> S+ 0 0 157 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.813 108.6 46.8 -77.4 -25.8 27.5 8.7 7.0 31 35 A K H <> S+ 0 0 124 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.822 108.9 56.3 -79.3 -32.8 30.0 6.2 8.3 32 36 A Y H X S+ 0 0 33 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.955 111.5 43.3 -58.9 -48.1 27.4 4.9 10.6 33 37 A N H X S+ 0 0 61 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.866 109.1 56.9 -67.9 -33.9 25.2 4.3 7.6 34 38 A A H X S+ 0 0 50 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.942 110.5 45.1 -60.4 -46.6 28.0 2.8 5.5 35 39 A Y H X S+ 0 0 25 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.912 112.8 49.9 -64.7 -41.0 28.5 0.2 8.3 36 40 A R H X S+ 0 0 102 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 110.3 51.5 -63.6 -39.6 24.8 -0.4 8.5 37 41 A K H X S+ 0 0 132 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.924 112.7 44.8 -62.3 -44.0 24.6 -0.8 4.7 38 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 22,-0.3 5,-0.2 0.899 111.9 52.7 -66.0 -41.3 27.5 -3.4 4.9 39 43 A A H X S+ 0 0 8 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.949 110.3 49.3 -59.4 -45.5 25.9 -5.1 7.9 40 44 A S H X S+ 0 0 68 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.880 110.5 46.4 -63.2 -44.2 22.6 -5.5 5.9 41 45 A V H X S+ 0 0 36 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.874 114.5 49.0 -69.5 -34.2 24.0 -6.9 2.7 42 46 A I H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.900 106.5 56.2 -70.1 -38.5 26.1 -9.4 4.7 43 47 A A H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.4 47.5 -61.3 -28.3 23.1 -10.4 6.7 44 48 A K H 3< S+ 0 0 87 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.587 85.5 107.2 -87.1 -15.0 21.3 -11.2 3.5 45 49 A Y << - 0 0 47 -3,-0.8 2,-0.8 -4,-0.7 4,-0.1 -0.564 62.1-150.3 -71.6 117.8 24.2 -13.2 2.1 46 50 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.199 68.9 70.7 -85.6 42.3 23.3 -17.0 2.2 47 51 A H S S- 0 0 108 -2,-0.8 2,-0.8 -44,-0.0 -2,-0.1 -0.980 89.3-103.0-151.4 152.3 26.8 -18.3 2.6 48 52 A K - 0 0 129 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.713 43.5-125.2 -80.3 114.0 29.4 -18.3 5.3 49 53 A I - 0 0 1 -2,-0.8 3,-0.1 1,-0.1 -38,-0.1 -0.405 27.2-174.7 -61.9 127.9 31.9 -15.6 4.3 50 54 A K + 0 0 175 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.519 62.4 6.6-103.8 -8.7 35.4 -17.1 4.3 51 55 A S > - 0 0 40 1,-0.1 4,-1.5 22,-0.0 -1,-0.2 -0.987 69.6-109.0-163.8 163.7 37.5 -14.0 3.5 52 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.873 116.4 61.2 -65.9 -35.2 37.3 -10.2 3.2 53 57 A A H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.870 103.6 50.5 -58.8 -35.9 37.8 -10.6 -0.6 54 58 A E H >4 S+ 0 0 32 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.908 112.7 45.5 -68.1 -40.6 34.6 -12.6 -0.8 55 59 A A H >< S+ 0 0 0 -4,-1.5 3,-2.6 1,-0.2 -2,-0.2 0.879 100.6 68.8 -68.8 -38.4 32.8 -9.9 1.2 56 60 A K H 3< S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.3 5,-0.2 0.791 87.7 68.0 -50.6 -32.4 34.4 -7.1 -1.0 57 61 A K T << S+ 0 0 176 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.707 84.8 88.1 -62.9 -21.4 32.3 -8.4 -3.9 58 62 A L S X S- 0 0 25 -3,-2.6 3,-1.7 -4,-0.2 2,-0.4 -0.561 91.3-105.1 -83.2 145.1 29.1 -7.2 -2.2 59 63 A P T 3 S+ 0 0 92 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.527 108.5 28.9 -70.2 122.0 27.8 -3.7 -2.7 60 64 A G T 3 S+ 0 0 32 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.160 96.9 101.4 113.4 -16.0 28.5 -1.6 0.4 61 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.908 49.2 168.3-104.6 119.3 31.6 -3.6 1.4 62 66 A G > - 0 0 30 -2,-0.6 4,-2.3 -3,-0.1 5,-0.2 -0.360 51.2 -69.6-113.8-164.6 34.9 -1.8 0.5 63 67 A T H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.893 125.6 49.4 -56.7 -46.1 38.5 -2.2 1.2 64 68 A K H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 113.9 43.2 -66.1 -41.3 38.4 -1.2 4.9 65 69 A I H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.885 112.3 54.8 -73.4 -35.2 35.5 -3.4 5.9 66 70 A A H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 109.1 49.0 -61.1 -40.9 37.1 -6.3 3.9 67 71 A E H X S+ 0 0 125 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.856 110.4 49.9 -65.0 -37.3 40.2 -5.8 5.9 68 72 A K H X S+ 0 0 26 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.900 108.2 53.9 -68.4 -39.4 38.3 -5.8 9.1 69 73 A I H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.934 107.2 50.5 -61.2 -45.1 36.6 -9.0 8.1 70 74 A D H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.942 111.3 48.1 -60.2 -43.9 39.9 -10.7 7.5 71 75 A E H X S+ 0 0 63 -4,-2.0 4,-2.2 1,-0.2 6,-0.5 0.932 113.9 48.3 -61.0 -42.7 41.1 -9.6 11.0 72 76 A F H X S+ 0 0 48 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.904 111.9 47.7 -64.6 -42.0 37.8 -10.9 12.5 73 77 A L H < S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.2 45.4 -68.1 -31.3 38.0 -14.2 10.7 74 78 A A H < S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.811 131.7 14.9 -83.0 -28.9 41.7 -14.7 11.7 75 79 A T H < S- 0 0 72 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.572 92.8-118.3-121.4 -15.2 41.4 -13.7 15.4 76 80 A G S < S+ 0 0 52 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.565 89.3 49.5 84.0 9.4 37.8 -13.7 16.3 77 81 A K S S- 0 0 98 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.922 76.9-116.5-160.3-178.4 37.9 -10.0 17.1 78 82 A L > - 0 0 5 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.987 17.6-146.5-133.2 119.9 39.0 -6.5 16.0 79 83 A R H > S+ 0 0 195 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.889 99.6 53.4 -54.9 -41.4 41.7 -4.7 18.1 80 84 A K H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 111.8 43.6 -62.5 -38.0 40.2 -1.3 17.4 81 85 A L H > S+ 0 0 5 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.869 110.3 55.6 -75.9 -37.1 36.7 -2.4 18.6 82 86 A E H X S+ 0 0 86 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.942 112.0 44.3 -59.8 -44.6 38.2 -4.2 21.6 83 87 A K H X S+ 0 0 135 -4,-2.4 4,-0.5 -5,-0.2 3,-0.3 0.933 112.0 51.4 -66.6 -46.1 39.9 -0.9 22.6 84 88 A I H >< S+ 0 0 34 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.926 107.0 55.9 -54.8 -46.7 36.8 1.2 21.9 85 89 A R H 3< S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 110.2 43.6 -55.9 -39.0 34.8 -1.1 24.1 86 90 A Q H 3< S+ 0 0 109 -4,-1.4 2,-0.7 -3,-0.3 -1,-0.3 0.399 86.3 109.8 -92.0 5.2 37.0 -0.7 27.1 87 91 A D S+ 0 0 91 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.849 92.7 45.8 -56.3 -42.6 35.5 4.7 29.6 89 93 A T H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.961 116.6 42.2 -69.9 -51.1 34.7 7.9 27.7 90 94 A S H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 116.3 49.1 -62.6 -43.8 33.6 6.3 24.4 91 95 A S H X S+ 0 0 48 -4,-3.0 4,-2.2 -7,-0.3 -1,-0.2 0.898 113.6 46.7 -60.4 -43.9 31.6 3.6 26.2 92 96 A S H X S+ 0 0 16 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.890 112.9 48.1 -66.5 -43.1 29.9 6.2 28.4 93 97 A I H X S+ 0 0 5 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.937 113.0 49.4 -63.3 -46.0 29.1 8.5 25.5 94 98 A N H < S+ 0 0 52 -4,-2.5 4,-0.2 -5,-0.3 -2,-0.2 0.911 111.7 48.5 -61.3 -41.6 27.7 5.6 23.5 95 99 A F H >< S+ 0 0 56 -4,-2.2 3,-2.4 1,-0.2 4,-0.2 0.936 105.0 56.6 -66.1 -46.5 25.5 4.5 26.4 96 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.807 94.0 68.5 -58.2 -29.9 24.0 7.8 27.3 97 101 A T T 3< S+ 0 0 22 -4,-1.3 -1,-0.3 1,-0.3 5,-0.2 0.647 82.0 75.9 -65.7 -11.6 22.7 8.2 23.7 98 102 A R T < S+ 0 0 125 -3,-2.4 2,-0.5 -4,-0.2 -1,-0.3 0.671 76.6 91.1 -71.3 -14.5 20.3 5.4 24.5 99 103 A V S X S- 0 0 1 -3,-2.3 3,-2.5 -4,-0.2 37,-0.1 -0.713 92.1-115.4 -80.4 123.8 18.3 8.0 26.5 100 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.402 104.3 26.5 -60.5 129.4 15.7 9.5 24.2 101 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.169 98.6 100.3 100.4 -20.2 16.6 13.2 23.8 102 106 A I < + 0 0 6 -3,-2.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.901 50.2 170.0-102.1 110.0 20.3 12.6 24.5 103 107 A G > - 0 0 30 -2,-0.8 4,-2.5 -3,-0.1 5,-0.2 -0.353 53.7 -71.8-102.1-168.9 22.1 12.6 21.1 104 108 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.848 129.1 50.1 -54.8 -41.5 25.9 12.6 20.4 105 109 A S H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.957 114.2 41.6 -66.8 -50.2 26.4 16.2 21.4 106 110 A A H > S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 113.7 54.3 -65.4 -38.5 24.6 16.0 24.8 107 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.924 111.7 44.4 -59.5 -45.1 26.2 12.7 25.5 108 112 A R H X S+ 0 0 116 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.929 113.0 50.9 -65.7 -45.3 29.7 14.1 24.9 109 113 A K H X S+ 0 0 123 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.946 112.5 47.3 -57.4 -50.2 28.9 17.3 26.9 110 114 A F H ><>S+ 0 0 11 -4,-3.1 5,-2.6 1,-0.2 3,-0.9 0.960 113.1 45.8 -56.7 -55.7 27.7 15.2 29.9 111 115 A V H ><5S+ 0 0 8 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.883 107.6 58.8 -58.7 -37.1 30.6 12.8 29.9 112 116 A D H 3<5S+ 0 0 104 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.843 108.6 47.0 -58.4 -33.8 33.0 15.7 29.5 113 117 A E T <<5S- 0 0 115 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.308 127.6 -98.0 -91.5 7.6 31.5 17.0 32.8 114 118 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.536 84.0 129.9 89.9 6.1 31.7 13.7 34.6 115 119 A I < + 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.844 17.4 139.4 -98.3 106.7 28.1 12.6 34.0 116 120 A K + 0 0 66 -2,-0.8 2,-0.2 -3,-0.1 -20,-0.2 0.557 50.2 51.3-125.8 -13.7 28.3 9.1 32.6 117 121 A T S > S- 0 0 60 1,-0.1 4,-1.9 -22,-0.1 5,-0.1 -0.746 82.6-107.5-125.1 171.6 25.6 7.0 34.1 118 122 A L H > S+ 0 0 30 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 122.7 56.1 -66.3 -33.7 21.8 7.0 34.6 119 123 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 105.9 50.1 -62.6 -41.7 22.6 7.6 38.3 120 124 A D H > S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.873 108.2 52.8 -63.9 -36.5 24.7 10.7 37.3 121 125 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 6,-0.2 0.916 107.7 52.2 -65.3 -41.4 21.8 12.0 35.2 122 126 A R H >< S+ 0 0 146 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.922 107.0 51.1 -60.0 -44.3 19.5 11.7 38.2 123 127 A K H 3< S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.621 118.1 41.2 -68.4 -12.2 21.8 13.7 40.5 124 128 A N T X< + 0 0 42 -3,-0.9 3,-3.0 -4,-0.6 4,-0.3 -0.109 66.9 142.8-128.2 38.8 21.9 16.4 37.8 125 129 A E G X + 0 0 95 -3,-1.2 3,-1.6 1,-0.3 -1,-0.1 0.775 67.6 66.4 -53.3 -26.8 18.3 16.6 36.6 126 130 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.620 93.1 60.5 -74.7 -3.8 18.6 20.3 36.2 127 131 A K G < S+ 0 0 104 -3,-3.0 2,-0.3 -6,-0.2 -1,-0.3 0.453 94.8 81.6 -95.0 -1.0 21.1 19.9 33.4 128 132 A L S < S- 0 0 5 -3,-1.6 2,-0.1 -4,-0.3 -26,-0.0 -0.753 75.5-130.4-103.6 149.3 18.6 17.9 31.4 129 133 A N > - 0 0 82 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.382 38.5 -91.9 -87.7 176.0 15.8 19.4 29.2 130 134 A H H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 125.2 49.0 -52.5 -50.9 12.2 18.2 29.4 131 135 A H H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.944 112.0 49.0 -57.0 -48.7 12.5 15.6 26.7 132 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 106.5 55.4 -61.5 -37.2 15.7 14.1 28.3 133 137 A R H X S+ 0 0 98 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.914 110.6 47.1 -62.9 -39.7 14.1 14.0 31.7 134 138 A I H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.936 109.9 50.9 -67.9 -43.4 11.3 11.9 30.2 135 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.2 -35,-0.4 -1,-0.2 0.880 112.9 48.0 -61.1 -35.9 13.6 9.6 28.3 136 140 A L H >< S+ 0 0 12 -4,-2.2 3,-1.8 -5,-0.2 4,-0.3 0.942 108.5 53.6 -67.8 -48.7 15.5 9.1 31.6 137 141 A K H 3< S+ 0 0 136 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.905 120.7 31.9 -54.2 -42.8 12.3 8.4 33.5 138 142 A Y T 3X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 -1,-0.3 -0.036 78.2 132.6-107.0 34.5 11.2 5.7 31.1 139 143 A F H <> S+ 0 0 28 -3,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.926 78.3 39.3 -50.2 -53.7 14.7 4.4 30.1 140 144 A G H >> S+ 0 0 45 -4,-0.3 3,-1.2 -3,-0.2 4,-0.7 0.960 116.0 49.2 -61.9 -53.5 13.7 0.8 30.6 141 145 A D H >4 S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.874 104.9 57.9 -54.5 -43.2 10.2 0.9 29.1 142 146 A F H 3< S+ 0 0 41 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.763 106.5 50.8 -64.5 -21.0 11.3 2.8 26.0 143 147 A E H << S+ 0 0 93 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.611 91.8 96.3 -90.9 -9.2 13.7 -0.1 25.2 144 148 A K S << S- 0 0 115 -3,-1.2 2,-0.2 -4,-0.7 -3,-0.0 -0.473 75.7-122.4 -78.9 151.9 11.0 -2.8 25.7 145 149 A R - 0 0 136 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.488 19.7-126.4 -86.5 162.0 9.2 -4.1 22.6 146 150 A I E -A 184 0A 0 38,-2.7 38,-2.1 -2,-0.2 40,-0.1 -0.921 19.1-133.4-114.9 111.5 5.4 -3.9 22.3 147 151 A P E >> -A 183 0A 56 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.285 22.8-117.0 -61.3 150.7 3.6 -7.2 21.6 148 152 A R H 3> S+ 0 0 62 34,-2.2 4,-2.4 1,-0.2 5,-0.2 0.814 112.7 62.0 -57.3 -32.6 1.0 -6.9 18.9 149 153 A E H 3> S+ 0 0 117 33,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.912 106.9 44.7 -63.1 -37.7 -1.9 -7.7 21.3 150 154 A E H <> S+ 0 0 30 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.862 109.8 56.1 -71.6 -34.1 -1.0 -4.6 23.3 151 155 A M H X S+ 0 0 1 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.901 106.6 50.9 -62.8 -39.3 -0.8 -2.6 20.1 152 156 A L H X S+ 0 0 56 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 110.8 47.0 -65.3 -41.2 -4.3 -3.7 19.2 153 157 A Q H X S+ 0 0 42 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.868 113.2 50.4 -66.8 -36.9 -5.6 -2.6 22.6 154 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 110.5 48.4 -65.7 -45.9 -3.8 0.7 22.2 155 159 A Q H X S+ 0 0 44 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.883 105.6 58.6 -61.9 -37.8 -5.3 1.2 18.7 156 160 A D H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.947 109.4 45.3 -57.2 -45.7 -8.8 0.4 20.1 157 161 A I H X S+ 0 0 38 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.947 114.1 47.7 -62.6 -49.9 -8.3 3.3 22.5 158 162 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.947 115.4 43.4 -58.9 -50.2 -6.9 5.7 19.9 159 163 A L H X S+ 0 0 68 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.904 114.5 51.2 -63.1 -38.9 -9.6 5.0 17.3 160 164 A N H X S+ 0 0 95 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.957 115.0 40.8 -62.5 -51.7 -12.4 5.1 19.9 161 165 A E H X S+ 0 0 14 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.829 111.7 55.5 -68.7 -35.8 -11.4 8.4 21.4 162 166 A V H X S+ 0 0 7 -4,-2.4 4,-2.1 -5,-0.3 7,-0.2 0.944 111.3 43.9 -63.3 -47.9 -10.6 10.1 18.0 163 167 A K H < S+ 0 0 143 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 110.1 57.3 -64.0 -39.6 -14.1 9.3 16.7 164 168 A K H < S+ 0 0 120 -4,-2.1 3,-0.2 -5,-0.2 -1,-0.2 0.915 106.6 49.1 -56.5 -43.8 -15.5 10.4 20.0 165 169 A V H < S- 0 0 40 -4,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.928 140.3 -14.4 -62.5 -44.3 -13.8 13.9 19.6 166 170 A D >< - 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