==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 07-MAY-13 4KLH . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.5 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 . 32 9.8 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 . 3 0.9 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 . 11 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.0 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 1 1 1 2 2 1 1 0 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 . 2 1 1 0 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 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 10 A T > 0 0 172 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 77.0 9.1 -15.8 11.7 2 11 A L T 3 + 0 0 97 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.792 360.0 22.8 -56.1 -39.0 11.3 -17.7 9.3 3 12 A N T 3> S+ 0 0 15 35,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.136 77.1 133.7-126.1 40.0 14.4 -15.6 9.8 4 13 A G H <> S+ 0 0 18 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.842 72.0 57.5 -57.7 -37.6 13.8 -14.0 13.2 5 14 A G H > S+ 0 0 35 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 111.2 41.9 -62.7 -44.4 17.3 -14.8 14.4 6 15 A I H > S+ 0 0 5 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 114.4 48.7 -68.1 -48.8 18.8 -12.8 11.5 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.890 109.5 53.7 -65.2 -33.8 16.5 -9.9 11.5 8 17 A D H X S+ 0 0 111 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.936 109.0 50.3 -58.4 -44.4 17.0 -9.5 15.3 9 18 A M H X S+ 0 0 7 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.8 46.2 -59.8 -47.9 20.7 -9.4 14.7 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.900 111.3 52.1 -64.5 -40.6 20.4 -6.7 12.1 11 20 A T H X S+ 0 0 58 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.910 109.7 49.8 -61.3 -42.2 18.0 -4.7 14.3 12 21 A E H X S+ 0 0 69 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.899 111.7 48.5 -62.9 -39.4 20.5 -4.9 17.1 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.928 110.6 51.3 -65.9 -42.5 23.3 -3.7 14.7 14 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.938 110.0 49.0 -58.9 -48.8 21.0 -0.9 13.5 15 24 A N H X S+ 0 0 65 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.904 110.3 52.1 -58.8 -40.1 20.3 0.3 17.1 16 25 A F H X>S+ 0 0 22 -4,-2.1 4,-2.6 1,-0.2 5,-1.9 0.962 109.7 47.6 -61.3 -51.6 24.0 0.2 17.9 17 26 A E H <>S+ 0 0 9 -4,-2.6 6,-2.9 3,-0.2 5,-0.9 0.881 118.2 42.9 -58.4 -37.9 25.0 2.3 14.9 18 27 A K H <5S+ 0 0 72 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.970 123.3 31.8 -73.8 -50.7 22.2 4.8 15.7 19 28 A N H <5S+ 0 0 16 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.814 136.5 17.6 -81.8 -31.2 22.6 5.1 19.5 20 29 A V T <5S+ 0 0 15 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.811 132.5 36.0-109.8 -49.5 26.4 4.6 20.0 21 30 A S T - 0 0 27 -6,-2.9 4,-2.0 1,-0.1 3,-0.4 -0.802 24.6-179.6-112.4 84.5 25.9 6.6 12.0 24 33 A I H > S+ 0 0 85 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.737 76.8 53.1 -66.2 -25.1 22.4 7.3 10.8 25 34 A H H > S+ 0 0 152 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 108.5 49.5 -77.1 -36.9 23.0 5.9 7.3 26 35 A K H > S+ 0 0 116 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.887 110.1 53.9 -63.4 -37.6 24.3 2.6 8.7 27 36 A Y H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.957 111.0 43.7 -58.9 -51.3 21.2 2.6 10.8 28 37 A N H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.877 112.6 53.3 -65.3 -36.4 18.9 3.0 7.8 29 38 A A H X S+ 0 0 50 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.936 109.9 47.0 -64.7 -45.2 20.8 0.4 5.8 30 39 A Y H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 112.9 48.6 -62.0 -44.0 20.5 -2.2 8.6 31 40 A R H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.856 110.0 53.0 -64.6 -35.4 16.8 -1.6 9.0 32 41 A K H X S+ 0 0 104 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.925 111.6 44.6 -65.3 -43.9 16.2 -1.8 5.3 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 22,-0.3 -2,-0.2 0.898 111.6 52.6 -67.3 -41.9 17.9 -5.2 5.1 34 43 A A H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.906 112.6 47.1 -59.2 -41.7 16.1 -6.5 8.2 35 44 A S H X S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.924 110.6 48.7 -66.9 -47.3 12.9 -5.4 6.5 36 45 A V H X S+ 0 0 17 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.898 116.0 46.4 -63.7 -34.6 13.6 -6.9 3.1 37 46 A I H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.873 103.2 62.2 -73.0 -37.6 14.6 -10.2 4.9 38 47 A A H < S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.6 40.7 -59.4 -31.5 11.5 -10.2 7.2 39 48 A K H < S+ 0 0 128 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.635 84.4 112.5 -96.2 -14.7 9.2 -10.5 4.2 40 49 A Y < - 0 0 48 -4,-0.8 4,-0.1 -3,-0.5 -37,-0.1 -0.450 65.3-142.4 -60.4 122.6 11.3 -13.0 2.2 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.161 70.1 74.7 -87.5 17.8 9.2 -16.2 2.3 42 51 A H S S- 0 0 108 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.918 86.6-108.3-123.7 152.9 11.9 -18.8 2.6 43 52 A K - 0 0 154 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.727 47.6-118.2 -77.8 116.6 14.1 -19.8 5.6 44 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.336 33.3-178.9 -70.3 126.9 17.5 -18.4 4.6 45 54 A K + 0 0 178 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.627 64.3 8.5 -99.9 -17.6 20.2 -21.0 4.2 46 55 A S > - 0 0 38 1,-0.1 4,-1.4 22,-0.0 -1,-0.2 -0.985 67.0-113.6-156.4 162.4 23.2 -18.8 3.3 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.3 2,-0.2 5,-0.2 0.884 115.3 60.3 -63.9 -39.9 24.4 -15.2 3.1 48 57 A A H > S+ 0 0 66 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.880 104.0 50.3 -58.3 -37.1 24.7 -15.5 -0.7 49 58 A E H >4 S+ 0 0 37 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.885 112.6 46.4 -68.7 -37.2 21.0 -16.3 -0.8 50 59 A A H >< S+ 0 0 0 -4,-1.4 3,-2.6 1,-0.2 6,-0.2 0.900 102.9 64.4 -69.4 -39.0 20.2 -13.2 1.3 51 60 A K H 3< S+ 0 0 99 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 86.8 71.3 -56.7 -21.8 22.6 -11.1 -0.9 52 61 A K T << S+ 0 0 182 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.710 84.8 87.7 -67.8 -15.6 20.2 -11.7 -3.8 53 62 A L S X S- 0 0 26 -3,-2.6 3,-1.8 -4,-0.2 2,-0.2 -0.657 91.5-111.1 -87.4 134.8 17.8 -9.3 -2.0 54 63 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.486 106.2 32.0 -67.4 130.6 18.1 -5.5 -2.6 55 64 A G T 3 S+ 0 0 37 1,-0.2 2,-0.6 -2,-0.2 -22,-0.3 -0.008 98.2 96.9 108.2 -25.8 19.5 -3.9 0.6 56 65 A V < + 0 0 8 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.878 54.6 168.1 -99.0 118.5 21.5 -6.9 1.6 57 66 A G > - 0 0 31 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.285 49.9 -68.9-114.9-160.7 25.1 -6.5 0.5 58 67 A T H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 126.5 47.3 -59.8 -50.1 28.6 -8.1 1.0 59 68 A K H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 115.6 44.3 -62.7 -45.8 29.0 -7.1 4.6 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 110.4 55.5 -69.1 -36.5 25.6 -8.2 5.7 61 70 A A H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.925 107.2 50.9 -58.9 -43.8 25.9 -11.4 3.7 62 71 A E H X S+ 0 0 119 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.912 110.9 47.3 -58.9 -43.9 29.2 -12.2 5.7 63 72 A K H X S+ 0 0 31 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.886 108.6 55.9 -67.4 -37.4 27.5 -11.5 9.0 64 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.909 107.0 49.0 -59.7 -41.8 24.6 -13.7 7.9 65 74 A D H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 111.5 49.2 -65.3 -45.3 27.0 -16.6 7.2 66 75 A E H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 6,-0.5 0.933 112.3 49.0 -56.1 -46.2 28.6 -16.2 10.7 67 76 A F H X S+ 0 0 42 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.854 111.4 47.7 -64.4 -38.4 25.2 -16.1 12.4 68 77 A L H < S+ 0 0 75 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.859 115.1 47.2 -71.0 -35.0 23.9 -19.3 10.6 69 78 A A H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 132.2 12.8 -69.9 -45.1 27.1 -21.2 11.4 70 79 A T H < S- 0 0 82 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.619 93.5-118.4-114.6 -17.9 27.4 -20.3 15.1 71 80 A G S < S+ 0 0 49 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.524 86.9 57.2 86.4 6.3 24.1 -18.7 16.2 72 81 A K S S- 0 0 67 -6,-0.5 2,-0.5 -63,-0.0 -2,-0.3 -0.952 75.0-120.1-153.3 175.8 25.7 -15.4 17.1 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.991 13.2-150.7-123.1 121.7 27.8 -12.5 15.8 74 83 A R H 3> S+ 0 0 157 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.921 97.2 62.0 -55.7 -43.6 31.1 -11.9 17.6 75 84 A K H 3> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 110.2 39.5 -49.5 -43.2 30.8 -8.2 16.8 76 85 A L H <> S+ 0 0 3 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.849 107.7 62.4 -78.5 -35.1 27.6 -8.0 18.9 77 86 A E H X S+ 0 0 77 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.932 110.6 41.4 -50.0 -46.2 28.9 -10.3 21.6 78 87 A K H X S+ 0 0 157 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.892 110.3 55.2 -72.2 -42.3 31.6 -7.6 22.2 79 88 A I H >< S+ 0 0 19 -4,-1.8 3,-1.2 -5,-0.3 7,-0.2 0.943 107.5 52.2 -56.6 -46.7 29.2 -4.7 21.9 80 89 A R H 3< S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 107.8 51.0 -52.1 -42.1 27.1 -6.3 24.6 81 90 A Q H 3< S+ 0 0 158 -4,-1.2 2,-0.6 -5,-0.2 -1,-0.2 0.551 87.7 100.6 -78.6 -9.1 30.1 -6.7 27.0 82 91 A D S+ 0 0 129 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.915 90.5 46.8 -63.0 -45.9 29.9 -0.9 29.5 84 93 A T H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 114.7 46.8 -66.6 -41.8 29.7 2.5 27.8 85 94 A S H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 113.3 49.2 -63.7 -42.7 27.9 1.1 24.8 86 95 A S H X S+ 0 0 48 -4,-2.4 4,-2.4 -7,-0.2 -2,-0.2 0.920 112.8 46.9 -64.4 -44.6 25.4 -0.8 27.0 87 96 A S H X S+ 0 0 20 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.944 113.2 48.6 -60.3 -49.3 24.7 2.2 29.2 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 111.1 49.6 -61.7 -43.7 24.3 4.5 26.1 89 98 A N H < S+ 0 0 41 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.925 112.9 48.9 -61.4 -41.4 21.9 2.0 24.5 90 99 A F H >< S+ 0 0 48 -4,-2.4 3,-2.2 -5,-0.2 4,-0.3 0.958 108.6 50.3 -62.6 -52.5 19.9 1.8 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.882 101.8 63.0 -56.3 -37.5 19.6 5.5 28.3 92 101 A T T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.586 86.3 74.9 -66.0 -7.8 18.3 6.1 24.8 93 102 A R T < S+ 0 0 128 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.3 0.641 77.1 90.7 -77.3 -14.2 15.3 3.9 25.6 94 103 A V S X S- 0 0 3 -3,-2.0 3,-2.2 -4,-0.3 37,-0.1 -0.709 93.0-110.4 -80.9 128.3 13.9 6.8 27.6 95 104 A S T 3 S+ 0 0 36 -2,-0.4 35,-0.3 1,-0.3 36,-0.2 -0.405 104.8 23.4 -60.9 130.0 11.7 9.0 25.4 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.216 98.2 101.8 97.0 -15.1 13.5 12.3 24.9 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.910 51.4 174.8-100.1 114.8 17.0 11.0 25.6 98 107 A G > - 0 0 27 -2,-0.7 4,-2.9 -3,-0.1 5,-0.3 -0.413 49.8 -75.6-106.3-170.9 18.8 10.4 22.2 99 108 A P H > S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.840 129.2 47.8 -54.3 -41.4 22.3 9.4 21.3 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.973 115.5 41.4 -66.7 -54.1 23.7 12.8 22.1 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 112.3 56.1 -62.2 -38.0 22.1 13.2 25.5 102 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.933 108.8 46.7 -60.0 -44.7 22.7 9.6 26.4 103 112 A R H X S+ 0 0 88 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.929 112.3 50.8 -63.1 -44.6 26.5 10.0 25.8 104 113 A K H X S+ 0 0 123 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.915 111.1 47.9 -58.0 -46.8 26.5 13.3 27.9 105 114 A F H >X>S+ 0 0 13 -4,-2.7 5,-2.6 1,-0.2 4,-0.5 0.934 109.2 52.6 -61.8 -47.7 24.7 11.6 30.8 106 115 A V H ><5S+ 0 0 11 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.902 107.0 55.0 -55.0 -39.4 27.1 8.6 30.7 107 116 A D H 3<5S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.1 49.2 -59.8 -35.9 30.0 11.2 30.9 108 117 A E H <<5S- 0 0 91 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.429 125.3-100.6 -87.8 -0.2 28.5 12.8 34.0 109 118 A G T <<5S+ 0 0 43 -3,-1.2 2,-0.8 -4,-0.5 -3,-0.2 0.540 83.5 128.3 93.0 9.2 28.1 9.4 35.7 110 119 A I < + 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.847 19.1 133.9 -98.4 105.8 24.4 9.0 35.1 111 120 A K + 0 0 83 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.299 50.1 55.5-141.5 10.2 24.0 5.5 33.5 112 121 A T S > S- 0 0 55 1,-0.1 4,-2.2 -22,-0.1 5,-0.2 -0.887 83.6-104.0-137.3 173.7 21.2 3.6 35.2 113 122 A L H > S+ 0 0 39 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.895 121.8 51.5 -63.4 -40.3 17.5 4.0 35.9 114 123 A E H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 108.2 51.2 -64.4 -40.5 18.3 4.7 39.6 115 124 A D H > S+ 0 0 23 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.940 110.7 49.1 -61.7 -48.5 20.8 7.4 38.6 116 125 A L H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.898 107.2 55.7 -54.7 -44.4 18.2 9.1 36.4 117 126 A R H >< S+ 0 0 150 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.825 110.8 43.0 -63.2 -32.1 15.6 9.0 39.1 118 127 A K H 3< S+ 0 0 138 -4,-1.5 -1,-0.2 -3,-0.4 3,-0.2 0.561 112.8 53.7 -92.1 -8.1 17.7 10.9 41.6 119 128 A N T X< + 0 0 34 -4,-0.9 3,-2.6 -3,-0.7 -1,-0.2 -0.150 63.6 136.4-113.2 34.5 18.9 13.4 39.0 120 129 A E G X + 0 0 75 -3,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.809 65.2 65.9 -51.5 -32.0 15.4 14.4 37.8 121 130 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.593 92.2 62.3 -72.1 -8.1 16.6 18.1 37.8 122 131 A K G < S+ 0 0 105 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 0.429 91.1 87.6 -92.5 1.3 19.0 17.3 35.0 123 132 A L S < S- 0 0 17 -3,-1.9 -26,-0.0 -4,-0.2 2,-0.0 -0.807 73.3-130.1-103.7 139.6 16.2 16.4 32.6 124 133 A N > - 0 0 87 -2,-0.4 4,-2.4 -28,-0.1 5,-0.2 -0.231 44.1 -90.3 -71.2 175.4 14.1 18.6 30.3 125 134 A H H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.933 126.0 49.0 -57.6 -52.2 10.4 18.3 30.5 126 135 A H H > S+ 0 0 38 1,-0.2 4,-2.8 93,-0.2 -1,-0.2 0.908 113.0 47.8 -53.3 -48.0 10.1 15.6 27.8 127 136 A Q H > S+ 0 0 14 -31,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 106.7 57.5 -61.6 -38.9 12.8 13.5 29.4 128 137 A R H X S+ 0 0 109 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 112.2 40.9 -59.7 -43.6 11.2 13.8 32.9 129 138 A I H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.903 110.6 56.6 -72.7 -44.1 8.0 12.3 31.5 130 139 A G H < S+ 0 0 1 -4,-2.8 -35,-0.2 -35,-0.3 -2,-0.2 0.905 112.9 43.4 -49.9 -41.8 9.8 9.7 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.5 3,-1.9 1,-0.2 4,-0.3 0.931 107.0 59.9 -70.6 -46.2 11.4 8.6 32.7 132 141 A K H 3< S+ 0 0 121 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.882 120.1 27.2 -48.1 -42.8 8.1 8.8 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.035 81.2 128.0-112.2 26.7 6.5 6.2 32.4 134 143 A F H <> S+ 0 0 26 -3,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.915 78.4 43.3 -51.2 -50.1 9.6 4.3 31.3 135 144 A G H >4 S+ 0 0 40 -4,-0.3 3,-1.3 1,-0.2 4,-0.4 0.942 113.8 49.8 -61.6 -47.5 8.2 1.0 32.3 136 145 A D H >4 S+ 0 0 38 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.858 104.1 59.1 -61.5 -36.9 4.7 1.6 30.9 137 146 A F H 3< S+ 0 0 46 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.629 96.9 62.3 -71.6 -13.1 6.1 2.8 27.5 138 147 A E T << S+ 0 0 100 -3,-1.3 -1,-0.3 -4,-0.6 2,-0.2 0.582 87.6 90.5 -86.6 -11.8 7.8 -0.5 27.0 139 148 A K S < S- 0 0 109 -3,-1.5 2,-0.1 -4,-0.4 -3,-0.0 -0.601 75.0-128.8 -84.4 145.9 4.5 -2.4 27.0 140 149 A R - 0 0 141 -2,-0.2 40,-0.2 104,-0.1 -2,-0.1 -0.456 18.7-119.3 -87.3 166.5 2.5 -3.0 23.8 141 150 A I E -A 179 0A 1 38,-2.5 38,-2.4 -2,-0.1 40,-0.1 -0.925 21.5-131.2-112.6 115.6 -1.2 -2.1 23.3 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.313 23.8-118.2 -60.6 145.1 -3.6 -5.0 22.5 143 152 A R H 3> S+ 0 0 60 34,-2.3 4,-2.3 1,-0.2 5,-0.2 0.838 114.3 62.9 -54.3 -30.6 -5.8 -4.1 19.6 144 153 A E H 3> S+ 0 0 143 33,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.915 105.8 44.1 -63.8 -40.1 -8.8 -4.4 21.9 145 154 A E H <> S+ 0 0 28 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.851 108.9 57.2 -69.0 -35.8 -7.5 -1.5 24.0 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.891 105.9 51.4 -60.9 -37.0 -6.7 0.4 20.8 147 156 A L H X S+ 0 0 72 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.929 110.1 48.1 -66.6 -44.0 -10.4 0.0 20.0 148 157 A Q H X S+ 0 0 61 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.873 113.1 48.4 -59.4 -40.2 -11.4 1.4 23.4 149 158 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 108.2 54.5 -70.7 -38.1 -9.0 4.3 23.0 150 159 A Q H X S+ 0 0 46 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.913 107.1 50.8 -58.2 -45.8 -10.3 5.0 19.5 151 160 A D H X S+ 0 0 93 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.939 110.7 48.8 -62.2 -46.1 -13.9 5.3 20.8 152 161 A I H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.951 115.3 43.5 -57.5 -51.3 -12.9 7.7 23.5 153 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.943 116.3 45.6 -63.6 -49.1 -11.0 10.0 21.2 154 163 A L H X S+ 0 0 56 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.903 116.4 45.9 -61.2 -40.6 -13.5 10.0 18.4 155 164 A N H X S+ 0 0 71 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.862 114.5 46.6 -72.7 -34.8 -16.4 10.5 20.7 156 165 A E H X S+ 0 0 22 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.903 111.6 51.6 -73.3 -39.9 -14.7 13.3 22.7 157 166 A V H >X S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.3 3,-1.6 0.937 104.9 56.7 -60.3 -46.0 -13.6 15.0 19.5 158 167 A K H 3< S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.866 102.4 57.5 -49.9 -38.9 -17.2 14.9 18.2 159 168 A K H 3< S+ 0 0 139 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.683 104.6 50.3 -70.9 -18.9 -18.1 16.8 21.4 160 169 A V H << S- 0 0 39 -3,-1.6 2,-0.2 -4,-0.7 -1,-0.2 0.891 136.8 -19.5 -83.7 -43.4 -15.8 19.7 20.6 161 170 A D >< - 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