==== 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 4KLL . 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) . 17494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 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 . 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 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 3 0 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 0 168 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 128.9 9.0 -15.5 12.0 2 11 A L T 3 + 0 0 98 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.799 360.0 20.6 -50.8 -44.2 11.1 -17.4 9.4 3 12 A N T 3> S+ 0 0 13 35,-0.2 4,-2.5 1,-0.1 -1,-0.3 -0.150 78.7 136.6-123.0 38.3 14.3 -15.4 9.8 4 13 A G H <> S+ 0 0 12 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.807 70.3 57.1 -56.2 -34.5 13.7 -13.9 13.2 5 14 A G H > S+ 0 0 34 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.945 110.8 42.1 -65.8 -47.2 17.2 -14.6 14.4 6 15 A I H > S+ 0 0 6 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.914 114.2 50.6 -64.6 -46.5 18.8 -12.7 11.5 7 16 A T H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.917 109.4 50.8 -65.2 -37.9 16.3 -9.8 11.7 8 17 A D H X S+ 0 0 111 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.938 109.6 52.1 -60.6 -42.6 16.9 -9.4 15.4 9 18 A M H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.940 111.7 45.4 -58.7 -47.0 20.7 -9.3 14.8 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.854 112.0 51.6 -69.7 -34.1 20.3 -6.7 12.1 11 20 A T H X S+ 0 0 54 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.914 109.0 50.9 -66.0 -43.2 18.0 -4.6 14.3 12 21 A E H X S+ 0 0 66 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.898 111.3 48.4 -61.2 -39.3 20.5 -4.8 17.2 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.914 109.6 52.3 -66.3 -43.2 23.2 -3.6 14.9 14 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.941 108.4 50.6 -55.1 -50.5 21.0 -0.8 13.6 15 24 A N H X S+ 0 0 64 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.899 109.2 51.9 -57.2 -40.1 20.4 0.4 17.2 16 25 A F H X>S+ 0 0 24 -4,-1.8 4,-2.2 2,-0.2 5,-2.1 0.919 110.0 47.8 -62.0 -45.7 24.1 0.3 17.9 17 26 A E H <>S+ 0 0 8 -4,-2.3 6,-2.5 3,-0.2 5,-0.8 0.933 118.7 40.6 -63.6 -44.2 24.9 2.5 14.9 18 27 A K H <5S+ 0 0 68 -4,-2.7 -2,-0.2 4,-0.3 -1,-0.2 0.967 125.3 32.8 -64.2 -54.1 22.1 5.0 15.7 19 28 A N H <5S+ 0 0 15 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.862 134.7 17.4 -79.6 -39.5 22.6 5.2 19.5 20 29 A V T <5S+ 0 0 11 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.862 132.4 36.1-102.2 -52.6 26.3 4.7 20.0 21 30 A S T - 0 0 28 -6,-2.5 4,-2.1 1,-0.1 3,-0.4 -0.812 26.0-178.5-123.6 87.3 25.7 6.9 12.2 24 33 A I H > S+ 0 0 84 -2,-0.5 4,-2.6 1,-0.3 5,-0.1 0.807 79.3 52.4 -65.8 -31.6 22.2 7.5 10.9 25 34 A H H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.865 109.7 48.8 -73.6 -34.1 22.8 6.0 7.4 26 35 A K H > S+ 0 0 122 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.887 110.8 52.7 -67.8 -37.4 24.2 2.8 8.8 27 36 A Y H X S+ 0 0 26 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.970 112.0 43.9 -59.0 -53.7 21.1 2.7 11.1 28 37 A N H X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.854 111.7 54.9 -60.1 -36.4 18.8 3.1 8.1 29 38 A A H X S+ 0 0 50 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.940 109.8 45.3 -64.6 -47.8 20.8 0.5 6.1 30 39 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.901 113.7 49.9 -61.4 -40.5 20.5 -2.1 8.7 31 40 A R H X S+ 0 0 56 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.859 109.1 51.2 -68.6 -36.3 16.8 -1.4 9.2 32 41 A K H X S+ 0 0 86 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.903 112.5 47.0 -65.1 -41.0 16.2 -1.6 5.4 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 22,-0.3 -2,-0.2 0.886 111.2 50.6 -69.7 -39.1 18.0 -5.0 5.3 34 43 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.925 112.0 48.6 -62.4 -42.4 16.1 -6.3 8.3 35 44 A S H X S+ 0 0 8 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.924 111.0 47.9 -67.4 -45.1 12.8 -5.3 6.7 36 45 A V H X S+ 0 0 15 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.894 115.3 46.4 -66.0 -35.6 13.5 -6.9 3.4 37 46 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.876 106.1 60.1 -70.6 -36.4 14.6 -10.1 5.1 38 47 A A H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 109.8 41.1 -61.7 -32.0 11.6 -10.1 7.3 39 48 A K H 3< S+ 0 0 126 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.554 85.5 113.2 -95.2 -6.2 9.2 -10.2 4.4 40 49 A Y << - 0 0 48 -3,-0.7 4,-0.1 -4,-0.6 -37,-0.1 -0.514 64.3-144.3 -66.7 121.7 11.3 -12.8 2.5 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.159 70.4 73.4 -86.8 21.2 9.1 -15.9 2.4 42 51 A H S S- 0 0 106 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.940 87.4-108.5-124.9 154.1 11.9 -18.5 2.7 43 52 A K - 0 0 151 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.732 48.1-118.4 -77.8 113.9 14.1 -19.5 5.6 44 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.307 31.3-175.5 -63.4 131.0 17.4 -18.1 4.6 45 54 A K + 0 0 171 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.588 63.7 6.7-101.9 -15.9 20.2 -20.8 4.1 46 55 A S > - 0 0 37 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.988 68.0-109.9-161.9 158.4 23.2 -18.6 3.3 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.904 117.7 57.5 -57.5 -42.8 24.5 -15.0 3.1 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.883 103.9 51.4 -61.4 -39.6 24.6 -15.3 -0.7 49 58 A E H >4 S+ 0 0 34 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.937 113.3 46.4 -59.0 -45.0 20.9 -16.1 -0.8 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.8 1,-0.2 6,-0.2 0.901 100.9 65.7 -64.4 -41.4 20.3 -13.0 1.3 51 60 A K H 3< S+ 0 0 97 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.715 86.7 71.7 -56.2 -21.6 22.6 -10.9 -0.8 52 61 A K T << S+ 0 0 181 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.671 83.6 89.5 -68.8 -14.6 20.1 -11.3 -3.7 53 62 A L S X S- 0 0 25 -3,-2.8 3,-1.8 -4,-0.2 2,-0.4 -0.633 91.5-105.2 -87.4 142.6 17.7 -9.0 -1.8 54 63 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.504 108.6 27.7 -65.7 119.4 17.7 -5.2 -2.3 55 64 A G T 3 S+ 0 0 39 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.092 96.5 100.8 113.1 -21.5 19.4 -3.7 0.8 56 65 A V < + 0 0 9 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.1 -0.880 50.2 170.1 -98.3 123.2 21.6 -6.7 1.7 57 66 A G > - 0 0 33 -2,-0.6 4,-2.0 -3,-0.1 5,-0.1 -0.280 49.2 -69.3-116.3-158.4 25.2 -6.2 0.6 58 67 A T H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 125.4 48.9 -67.2 -44.4 28.5 -7.9 1.1 59 68 A K H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 114.0 44.9 -64.8 -43.2 29.0 -7.0 4.8 60 69 A I H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.875 109.3 57.0 -71.5 -35.1 25.6 -8.2 5.9 61 70 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 107.4 48.8 -58.2 -45.1 25.9 -11.3 3.8 62 71 A E H X S+ 0 0 119 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.918 111.3 48.8 -62.0 -43.0 29.1 -12.1 5.8 63 72 A K H X S+ 0 0 30 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.891 109.3 53.2 -64.6 -38.7 27.4 -11.5 9.1 64 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.904 108.4 50.0 -62.4 -40.6 24.5 -13.7 8.0 65 74 A D H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.955 112.1 47.3 -63.0 -47.8 26.9 -16.5 7.2 66 75 A E H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 6,-0.5 0.918 113.6 48.9 -56.2 -43.2 28.6 -16.1 10.6 67 76 A F H X S+ 0 0 43 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.872 111.9 47.4 -68.5 -37.0 25.2 -16.0 12.3 68 77 A L H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.8 49.0 -70.4 -35.5 23.9 -19.1 10.5 69 78 A A H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 132.0 11.6 -70.0 -38.7 27.1 -21.0 11.3 70 79 A T H < S- 0 0 85 -4,-2.1 -3,-0.2 2,-0.3 -2,-0.2 0.578 93.0-116.7-120.3 -17.5 27.3 -20.2 15.0 71 80 A G S < S+ 0 0 48 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.511 87.6 58.9 84.5 5.3 24.0 -18.7 16.1 72 81 A K S S- 0 0 84 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.931 73.9-120.1-153.5 178.3 25.6 -15.4 17.1 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.7 1,-0.1 3,-1.0 -0.953 10.7-154.5-131.0 111.2 27.7 -12.5 16.0 74 83 A R H 3> S+ 0 0 168 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.880 97.6 60.1 -50.8 -41.2 31.0 -11.8 17.7 75 84 A K H 3> S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.889 111.1 40.5 -54.7 -40.9 30.7 -8.1 16.8 76 85 A L H <> S+ 0 0 2 -3,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.894 108.8 59.2 -75.2 -42.2 27.5 -8.0 18.8 77 86 A E H X S+ 0 0 76 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.920 111.0 43.9 -49.1 -46.0 28.9 -10.2 21.6 78 87 A K H >X S+ 0 0 159 -4,-2.7 3,-1.2 -5,-0.2 4,-1.0 0.912 111.1 52.0 -69.3 -44.9 31.6 -7.6 22.1 79 88 A I H >< S+ 0 0 18 -4,-1.8 3,-1.0 1,-0.3 -2,-0.2 0.928 104.7 58.1 -55.4 -43.6 29.2 -4.7 21.9 80 89 A R H 3< S+ 0 0 107 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.720 107.7 48.5 -59.9 -20.0 27.1 -6.3 24.5 81 90 A Q H << S+ 0 0 146 -3,-1.2 2,-0.7 -4,-0.5 -1,-0.3 0.637 82.9 102.3 -96.4 -18.4 30.1 -6.3 26.8 82 91 A D S+ 0 0 124 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.922 91.7 49.0 -54.5 -48.3 29.8 -0.9 29.4 84 93 A T H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 113.0 46.7 -61.4 -44.2 29.7 2.5 27.7 85 94 A S H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 113.6 50.5 -62.8 -41.0 27.8 1.1 24.7 86 95 A S H X S+ 0 0 49 -4,-2.9 4,-2.5 -7,-0.2 -2,-0.2 0.924 111.2 47.0 -60.2 -48.8 25.5 -0.7 27.1 87 96 A S H X S+ 0 0 19 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.923 112.8 49.1 -60.6 -46.6 24.8 2.4 29.2 88 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.917 110.6 50.6 -62.5 -44.2 24.2 4.6 26.1 89 98 A N H < S+ 0 0 44 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.927 111.7 48.4 -60.2 -45.1 21.8 2.0 24.6 90 99 A F H >< S+ 0 0 43 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.963 109.2 51.3 -59.6 -52.6 19.8 1.9 27.8 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.871 101.3 61.6 -55.3 -40.3 19.5 5.6 28.3 92 101 A T T 3< S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.646 87.0 75.3 -64.8 -11.9 18.2 6.1 24.7 93 102 A R T < S+ 0 0 123 -3,-2.1 2,-0.5 -4,-0.5 -1,-0.3 0.679 77.5 90.0 -73.2 -15.1 15.2 3.9 25.7 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.1 -4,-0.3 2,-0.2 -0.704 93.0-112.6 -77.2 126.9 13.9 6.9 27.6 95 104 A S T 3 S+ 0 0 34 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.446 104.5 25.4 -61.3 126.1 11.7 9.0 25.4 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.134 97.7 102.1 103.9 -19.3 13.4 12.4 24.9 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.889 50.3 174.1 -96.2 113.2 16.9 11.0 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.5 -3,-0.1 5,-0.2 -0.348 50.5 -75.9-101.5-169.1 18.7 10.5 22.2 99 108 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.874 129.0 47.5 -55.4 -44.3 22.3 9.5 21.3 100 109 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.960 114.5 43.7 -66.7 -51.0 23.7 12.9 22.1 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.879 112.4 54.6 -60.8 -36.8 22.0 13.3 25.5 102 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.936 108.9 45.9 -67.1 -44.0 22.7 9.7 26.5 103 112 A R H X S+ 0 0 87 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.904 113.3 51.9 -63.6 -39.6 26.5 10.1 25.9 104 113 A K H X S+ 0 0 136 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.935 109.3 48.4 -61.5 -47.7 26.4 13.4 27.8 105 114 A F H ><>S+ 0 0 11 -4,-2.8 5,-2.6 1,-0.2 3,-0.9 0.947 109.6 52.1 -58.6 -49.4 24.6 11.8 30.8 106 115 A V H ><5S+ 0 0 13 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.896 104.6 57.6 -53.6 -40.3 27.1 8.9 30.9 107 116 A D H 3<5S+ 0 0 128 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.847 107.3 48.3 -56.8 -34.2 29.9 11.5 30.9 108 117 A E T <<5S- 0 0 88 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.401 124.9-102.6 -88.9 0.9 28.3 13.0 34.1 109 118 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.7 -4,-0.4 -3,-0.2 0.716 82.0 131.3 82.7 22.4 28.0 9.6 35.7 110 119 A I < + 0 0 3 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.916 18.4 128.0-106.5 106.5 24.3 9.3 35.0 111 120 A K + 0 0 79 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.315 49.6 61.4-148.2 9.0 23.8 5.8 33.5 112 121 A T S > S- 0 0 59 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.872 82.4-108.2-130.9 172.1 21.1 3.8 35.3 113 122 A L H > S+ 0 0 45 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.899 122.7 53.4 -61.7 -40.9 17.4 4.1 36.0 114 123 A E H > S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 108.3 49.6 -61.2 -43.1 18.4 4.9 39.6 115 124 A D H > S+ 0 0 23 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.920 110.6 49.6 -60.3 -46.2 20.7 7.7 38.5 116 125 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.913 106.5 56.6 -61.0 -40.8 18.1 9.2 36.3 117 126 A R H >< S+ 0 0 149 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.830 109.6 43.9 -64.8 -29.9 15.5 9.1 39.1 118 127 A K H 3< S+ 0 0 126 -4,-1.3 -1,-0.3 -3,-0.3 3,-0.2 0.552 112.6 53.7 -93.2 -6.3 17.7 11.1 41.4 119 128 A N T X< + 0 0 29 -3,-0.9 3,-2.6 -4,-0.8 -1,-0.2 -0.089 61.7 133.9-115.8 36.1 18.7 13.6 38.8 120 129 A E G X + 0 0 93 -3,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.830 69.0 63.7 -53.4 -33.8 15.2 14.7 37.5 121 130 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.636 94.8 61.0 -70.0 -11.5 16.3 18.3 37.6 122 131 A K G < S+ 0 0 98 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 0.371 93.3 86.1 -92.2 5.5 18.9 17.5 35.0 123 132 A L S < S- 0 0 10 -3,-2.1 -26,-0.0 -4,-0.2 2,-0.0 -0.839 74.6-130.1-107.9 139.7 16.1 16.4 32.6 124 133 A N > - 0 0 90 -2,-0.4 4,-2.1 -28,-0.1 5,-0.2 -0.220 43.1 -91.9 -72.1 177.2 14.1 18.6 30.2 125 134 A H H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.923 125.3 49.6 -62.3 -47.1 10.3 18.2 30.3 126 135 A H H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.949 113.0 47.6 -56.0 -51.2 10.0 15.6 27.6 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 107.4 56.6 -57.6 -39.3 12.7 13.5 29.3 128 137 A R H X S+ 0 0 88 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.918 111.2 42.4 -63.9 -43.7 11.1 13.8 32.7 129 138 A I H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.873 111.1 56.0 -69.5 -39.5 7.8 12.4 31.4 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.3 -35,-0.4 -2,-0.2 0.891 111.4 44.7 -57.6 -38.1 9.6 9.7 29.4 131 140 A L H >< S+ 0 0 8 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.939 106.9 58.9 -70.5 -45.8 11.3 8.6 32.7 132 141 A K H 3< S+ 0 0 125 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.871 119.3 29.5 -47.2 -42.9 8.0 8.8 34.6 133 142 A Y T 3X S+ 0 0 19 -4,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.006 79.5 131.6-113.0 26.4 6.5 6.2 32.3 134 143 A F H <> S+ 0 0 27 -3,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.879 78.1 40.5 -47.9 -51.8 9.6 4.2 31.3 135 144 A G H >4 S+ 0 0 44 -4,-0.3 3,-1.4 -3,-0.2 4,-0.5 0.960 115.2 50.5 -64.9 -51.5 8.1 0.8 32.0 136 145 A D H >4 S+ 0 0 38 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.873 103.7 58.7 -54.2 -43.2 4.7 1.6 30.5 137 146 A F H 3< S+ 0 0 40 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.653 100.8 56.4 -69.0 -14.0 6.1 3.0 27.2 138 147 A E T << S+ 0 0 97 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.2 0.547 89.4 93.6 -93.1 -4.4 7.8 -0.3 26.5 139 148 A K S < S- 0 0 99 -3,-1.7 2,-0.2 -4,-0.5 -3,-0.0 -0.593 75.9-125.6 -83.5 145.5 4.6 -2.2 26.7 140 149 A R - 0 0 138 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.503 19.2-121.3 -84.2 162.8 2.6 -2.9 23.5 141 150 A I E -A 179 0A 0 38,-3.3 38,-2.2 -2,-0.2 40,-0.1 -0.910 22.6-127.5-108.3 119.5 -1.1 -2.0 23.2 142 151 A P E >> -A 178 0A 54 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.365 21.5-120.8 -64.1 142.8 -3.5 -4.8 22.5 143 152 A R H 3> S+ 0 0 58 34,-2.5 4,-2.3 1,-0.3 5,-0.2 0.840 113.5 63.3 -52.3 -32.0 -5.7 -4.0 19.5 144 153 A E H 3> S+ 0 0 141 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.908 105.6 43.0 -62.4 -40.9 -8.6 -4.4 21.8 145 154 A E H <> S+ 0 0 28 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.841 109.0 58.5 -70.8 -34.1 -7.5 -1.5 23.9 146 155 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.896 104.6 52.6 -59.4 -38.8 -6.7 0.5 20.7 147 156 A L H X S+ 0 0 76 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 109.8 46.9 -64.9 -40.6 -10.3 0.0 19.8 148 157 A Q H X S+ 0 0 65 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.894 113.0 50.0 -66.9 -37.5 -11.5 1.4 23.2 149 158 A M H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 108.5 52.6 -66.9 -41.8 -9.0 4.3 22.8 150 159 A Q H X S+ 0 0 47 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.931 107.3 52.5 -55.7 -49.7 -10.3 5.0 19.3 151 160 A D H X S+ 0 0 96 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.921 111.2 46.3 -55.5 -47.7 -13.9 5.2 20.5 152 161 A I H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.921 115.3 45.1 -62.7 -47.6 -13.0 7.7 23.2 153 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.956 114.6 46.9 -64.6 -50.1 -11.0 9.9 20.9 154 163 A L H X S+ 0 0 57 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.921 115.6 46.2 -59.7 -43.1 -13.5 9.9 18.1 155 164 A N H X S+ 0 0 73 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.887 113.2 47.5 -68.4 -36.5 -16.4 10.6 20.4 156 165 A E H X S+ 0 0 18 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.896 111.3 52.0 -72.2 -36.4 -14.6 13.4 22.3 157 166 A V H >X S+ 0 0 4 -4,-2.5 4,-2.0 -5,-0.2 3,-0.5 0.934 107.9 52.0 -61.5 -44.4 -13.6 15.0 19.1 158 167 A K H 3< S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 104.9 57.1 -59.2 -36.4 -17.2 14.9 17.9 159 168 A K H 3< S+ 0 0 139 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.0 48.3 -68.0 -32.2 -18.3 16.6 21.1 160 169 A V H << S- 0 0 42 -4,-1.4 2,-0.3 -3,-0.5 -2,-0.2 0.940 138.0 -15.9 -70.8 -51.0 -16.0 19.6 20.4 161 170 A D >< - 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