==== 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 4KLE . 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) . 17259.0 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 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 . 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 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 0 171 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 65.3 9.3 -15.1 11.2 2 11 A L T 3 + 0 0 99 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.780 360.0 34.3 -63.3 -29.6 11.4 -17.6 9.3 3 12 A N T 3> S+ 0 0 14 1,-0.1 4,-2.6 35,-0.1 -1,-0.3 -0.138 73.2 136.6-124.5 37.8 14.5 -15.5 9.8 4 13 A G H <> S+ 0 0 21 -3,-1.1 4,-2.0 1,-0.2 5,-0.2 0.823 72.1 54.6 -55.3 -38.3 13.9 -14.0 13.2 5 14 A G H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 112.2 43.1 -65.7 -46.5 17.4 -14.6 14.4 6 15 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 113.1 50.7 -62.4 -47.4 18.9 -12.7 11.5 7 16 A T H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 110.6 49.8 -65.4 -33.5 16.5 -9.9 11.6 8 17 A D H X S+ 0 0 108 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.922 109.3 52.4 -66.0 -45.4 17.1 -9.4 15.3 9 18 A M H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.944 112.0 45.7 -52.9 -50.4 20.9 -9.4 14.7 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.878 111.8 51.5 -63.8 -38.1 20.4 -6.7 12.1 11 20 A T H X S+ 0 0 53 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.920 109.8 49.6 -65.5 -41.0 18.1 -4.7 14.3 12 21 A E H X S+ 0 0 71 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.890 111.6 49.0 -65.0 -39.1 20.6 -4.8 17.1 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.932 109.8 52.3 -63.6 -45.9 23.3 -3.6 14.7 14 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.949 109.2 49.3 -52.7 -51.7 21.1 -0.8 13.5 15 24 A N H X S+ 0 0 61 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.890 110.1 51.8 -58.4 -40.2 20.5 0.3 17.1 16 25 A F H X>S+ 0 0 23 -4,-2.0 4,-2.7 2,-0.2 5,-1.8 0.957 109.8 48.0 -59.0 -51.8 24.2 0.3 17.8 17 26 A E H <5S+ 0 0 10 -4,-2.6 6,-2.9 3,-0.2 5,-0.4 0.888 119.6 40.2 -60.6 -36.5 25.0 2.4 14.8 18 27 A K H <5S+ 0 0 69 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.957 124.0 34.0 -75.5 -50.1 22.3 4.9 15.7 19 28 A N H <5S+ 0 0 12 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.847 135.1 16.4 -80.9 -35.4 22.7 5.0 19.5 20 29 A V T <5S+ 0 0 13 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.853 131.0 38.3-106.2 -51.9 26.5 4.6 19.9 21 30 A S S - 0 0 27 -6,-2.9 4,-2.0 1,-0.1 3,-0.3 -0.820 27.1-176.9-115.2 88.0 26.0 6.8 12.1 24 33 A I H > S+ 0 0 82 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.779 78.3 51.2 -64.8 -28.8 22.5 7.4 10.8 25 34 A H H > S+ 0 0 153 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 109.1 50.2 -77.9 -36.9 22.9 5.9 7.4 26 35 A K H > S+ 0 0 120 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.879 109.7 53.7 -63.4 -37.3 24.4 2.7 8.8 27 36 A Y H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.970 111.9 43.4 -57.3 -54.5 21.3 2.7 11.0 28 37 A N H X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.847 111.5 54.5 -61.4 -36.3 19.0 3.0 8.0 29 38 A A H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.915 109.7 46.5 -65.1 -43.4 21.0 0.4 6.0 30 39 A Y H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.904 113.2 50.6 -65.0 -40.5 20.6 -2.1 8.7 31 40 A R H X S+ 0 0 58 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 110.3 48.1 -59.7 -51.7 16.9 -1.3 9.0 32 41 A K H X S+ 0 0 78 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.902 113.5 48.5 -58.2 -42.7 16.3 -1.7 5.3 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 22,-0.3 -1,-0.2 0.913 111.4 48.6 -66.1 -44.7 18.2 -5.0 5.2 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.901 113.2 49.4 -59.3 -41.0 16.3 -6.4 8.3 35 44 A S H X S+ 0 0 8 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.894 110.0 47.8 -72.0 -40.2 13.0 -5.4 6.7 36 45 A V H X S+ 0 0 18 -4,-2.4 4,-0.6 1,-0.2 3,-0.4 0.916 115.3 47.0 -67.5 -37.8 13.7 -6.9 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.902 105.1 60.9 -67.8 -39.3 14.8 -10.1 5.0 38 47 A A H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -36,-0.2 0.799 108.6 42.1 -59.3 -31.1 11.7 -10.1 7.3 39 48 A K H 3< S+ 0 0 122 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.572 84.8 113.4 -95.4 -7.2 9.3 -10.3 4.4 40 49 A Y << - 0 0 48 -3,-1.0 -38,-0.2 -4,-0.6 -37,-0.1 -0.506 64.1-143.1 -67.9 123.0 11.3 -12.9 2.4 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.117 70.7 72.5 -85.9 23.1 9.2 -16.0 2.4 42 51 A H S S- 0 0 104 -2,-0.0 2,-0.7 -39,-0.0 -2,-0.1 -0.955 86.8-107.8-130.7 152.7 11.9 -18.6 2.7 43 52 A K - 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.711 47.6-119.0 -77.8 116.9 14.2 -19.7 5.6 44 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.363 29.9-174.6 -68.8 130.5 17.6 -18.3 4.5 45 54 A K - 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.568 63.9 -0.1-101.8 -14.1 20.3 -20.9 4.0 46 55 A S > - 0 0 37 1,-0.1 4,-1.2 22,-0.0 -1,-0.2 -0.985 68.3-104.4-165.0 167.3 23.3 -18.7 3.3 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 3,-0.2 0.895 116.2 60.3 -65.4 -42.6 24.6 -15.1 3.0 48 57 A A H > S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.923 104.3 49.8 -49.7 -50.4 24.7 -15.4 -0.8 49 58 A E H 4 S+ 0 0 33 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.844 112.8 47.6 -59.5 -35.6 21.0 -16.1 -0.9 50 59 A A H >< S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.2 -1,-0.2 0.859 100.9 64.8 -74.4 -36.3 20.4 -13.1 1.3 51 60 A K H 3< S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.721 86.5 72.2 -61.2 -19.0 22.6 -10.9 -0.8 52 61 A K T 3< S+ 0 0 168 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.745 83.0 90.0 -66.9 -20.0 20.2 -11.3 -3.7 53 62 A L S X S- 0 0 24 -3,-2.1 3,-1.7 -4,-0.2 2,-0.3 -0.517 92.0-106.1 -81.3 141.9 17.8 -9.0 -1.8 54 63 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.548 107.8 28.3 -67.6 125.3 17.9 -5.2 -2.4 55 64 A G T 3 S+ 0 0 38 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.116 96.0 100.9 110.2 -17.9 19.6 -3.7 0.7 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.905 50.6 169.2-100.6 121.7 21.7 -6.7 1.6 57 66 A G > - 0 0 32 -2,-0.6 4,-2.2 -3,-0.1 5,-0.1 -0.273 49.5 -69.1-116.2-158.5 25.3 -6.2 0.5 58 67 A T H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 125.7 49.4 -67.0 -45.9 28.6 -7.9 1.1 59 68 A K H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 115.0 43.6 -62.2 -45.8 29.1 -7.0 4.7 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 110.1 57.1 -69.1 -35.8 25.7 -8.1 5.8 61 70 A A H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.932 107.7 48.8 -57.1 -43.9 26.1 -11.3 3.7 62 71 A E H X S+ 0 0 117 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.896 110.7 48.9 -63.3 -41.5 29.2 -12.0 5.7 63 72 A K H X S+ 0 0 26 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.902 108.8 54.3 -66.3 -38.2 27.5 -11.5 9.0 64 73 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.887 107.6 49.7 -63.5 -38.1 24.6 -13.7 7.9 65 74 A D H X S+ 0 0 73 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 112.1 47.9 -66.2 -42.6 27.1 -16.5 7.1 66 75 A E H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 6,-0.5 0.914 112.9 49.5 -60.6 -41.9 28.7 -16.1 10.6 67 76 A F H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.887 111.8 45.9 -68.3 -41.4 25.3 -16.1 12.2 68 77 A L H < S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.4 50.8 -65.7 -37.6 24.0 -19.2 10.5 69 78 A A H < S+ 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.910 131.4 10.4 -66.2 -41.5 27.3 -21.0 11.2 70 79 A T H < S- 0 0 78 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.592 92.8-115.8-121.2 -16.4 27.4 -20.2 14.9 71 80 A G S < S+ 0 0 48 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.515 88.4 55.8 86.4 6.6 24.1 -18.8 16.1 72 81 A K S S- 0 0 79 -6,-0.5 2,-0.5 -5,-0.1 -2,-0.3 -0.961 74.4-118.1-158.6 175.5 25.8 -15.5 17.0 73 82 A L >> - 0 0 2 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 -0.960 10.6-155.2-127.6 113.0 27.8 -12.5 15.9 74 83 A R H 3> S+ 0 0 164 -2,-0.5 4,-2.7 1,-0.3 5,-0.3 0.913 98.0 60.0 -51.1 -44.5 31.2 -11.9 17.7 75 84 A K H 3> S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.898 110.1 41.2 -50.6 -45.0 30.8 -8.2 16.7 76 85 A L H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.858 109.7 59.0 -71.1 -35.8 27.6 -8.0 18.7 77 86 A E H X S+ 0 0 71 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.912 109.1 44.8 -59.4 -41.4 29.0 -10.2 21.5 78 87 A K H >X S+ 0 0 153 -4,-2.7 4,-1.2 2,-0.2 3,-0.6 0.902 110.7 53.2 -69.8 -42.0 31.8 -7.5 22.0 79 88 A I H >< S+ 0 0 16 -4,-1.8 3,-0.9 -5,-0.3 7,-0.2 0.938 106.5 53.3 -58.3 -45.5 29.3 -4.7 21.8 80 89 A R H 3< S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 108.8 50.4 -60.3 -26.8 27.2 -6.3 24.6 81 90 A Q H << S+ 0 0 144 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.667 86.8 100.0 -84.9 -20.6 30.3 -6.5 26.8 82 91 A D S+ 0 0 123 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.916 90.5 48.1 -64.9 -45.9 30.0 -0.9 29.3 84 93 A T H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.967 115.2 45.4 -61.9 -50.1 29.9 2.5 27.6 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 114.1 49.6 -56.0 -45.5 27.9 1.1 24.7 86 95 A S H X S+ 0 0 49 -4,-2.6 4,-2.0 -7,-0.2 -1,-0.2 0.923 112.8 46.7 -60.2 -47.8 25.6 -0.8 27.0 87 96 A S H X S+ 0 0 19 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.916 113.3 47.8 -61.5 -46.1 25.0 2.2 29.1 88 97 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.921 111.0 51.2 -65.6 -41.5 24.3 4.5 26.1 89 98 A N H < S+ 0 0 40 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.872 111.6 49.2 -62.8 -35.7 22.0 1.9 24.5 90 99 A F H >< S+ 0 0 47 -4,-2.0 3,-1.9 -5,-0.2 4,-0.2 0.962 109.0 49.9 -67.5 -50.9 20.0 1.7 27.8 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 6,-0.2 0.888 101.4 62.5 -57.3 -41.0 19.6 5.5 28.3 92 101 A T T 3< S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.637 86.4 76.5 -62.8 -9.9 18.3 6.0 24.7 93 102 A R T < S+ 0 0 120 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.660 77.1 87.6 -74.9 -14.4 15.4 3.8 25.6 94 103 A V S X S- 0 0 2 -3,-2.2 3,-2.1 -4,-0.2 37,-0.1 -0.730 94.1-111.1 -82.7 128.1 13.9 6.7 27.6 95 104 A S T 3 S+ 0 0 38 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.420 104.6 26.0 -63.1 131.8 11.8 8.9 25.3 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.188 97.0 101.2 98.0 -17.4 13.5 12.2 24.9 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.910 51.6 174.2 -98.3 112.7 17.0 10.9 25.5 98 107 A G > - 0 0 27 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.343 50.4 -73.5-100.8-168.1 18.8 10.4 22.2 99 108 A P H > S+ 0 0 30 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.854 130.2 46.1 -53.7 -43.0 22.4 9.4 21.2 100 109 A S H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 114.9 44.4 -70.5 -49.3 23.8 12.8 22.2 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 111.6 54.1 -59.0 -42.1 22.1 13.1 25.6 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.914 110.6 45.1 -62.3 -43.1 22.8 9.5 26.5 103 112 A R H X S+ 0 0 84 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.847 113.0 51.9 -69.4 -36.6 26.5 9.9 25.9 104 113 A K H X S+ 0 0 118 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.923 111.0 47.1 -62.9 -46.4 26.5 13.2 27.8 105 114 A F H >X>S+ 0 0 5 -4,-2.9 5,-2.5 2,-0.2 3,-0.7 0.944 108.8 53.8 -60.5 -50.2 24.7 11.6 30.8 106 115 A V H ><5S+ 0 0 11 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.886 105.5 55.4 -53.0 -40.9 27.2 8.7 30.8 107 116 A D H 3<5S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.863 107.0 50.1 -56.6 -38.2 30.0 11.3 30.9 108 117 A E H <<5S- 0 0 76 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.527 123.6-105.7 -79.9 -7.0 28.4 12.7 34.1 109 118 A G T <<5S+ 0 0 44 -3,-1.2 2,-0.8 -4,-0.6 -3,-0.2 0.682 81.0 131.8 84.8 19.4 28.1 9.3 35.6 110 119 A I < + 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.896 19.9 130.4-100.4 103.8 24.4 9.1 35.1 111 120 A K + 0 0 79 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.369 48.1 59.2-143.4 6.0 24.0 5.6 33.5 112 121 A T S > S- 0 0 58 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.841 83.8-105.7-130.6 173.2 21.3 3.6 35.2 113 122 A L H > S+ 0 0 45 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.867 123.3 52.3 -65.2 -34.0 17.6 3.9 35.9 114 123 A E H > S+ 0 0 152 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.931 106.4 51.9 -65.5 -46.8 18.5 4.7 39.5 115 124 A D H >> S+ 0 0 24 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.907 111.7 47.6 -53.8 -46.1 20.8 7.4 38.5 116 125 A L H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.914 107.0 56.5 -63.9 -42.3 18.1 9.0 36.4 117 126 A R H 3< S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.630 110.8 43.8 -69.9 -13.5 15.5 8.7 39.1 118 127 A K H << S+ 0 0 145 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.439 113.1 52.5-106.3 -2.9 17.7 10.7 41.5 119 128 A N X< + 0 0 35 -3,-1.2 3,-2.6 -4,-0.6 -2,-0.2 -0.126 60.6 135.2-122.4 35.7 18.7 13.3 38.9 120 129 A E G > + 0 0 84 1,-0.3 3,-2.1 -3,-0.2 -1,-0.1 0.831 67.4 66.7 -48.7 -37.0 15.3 14.4 37.6 121 130 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.579 94.3 59.9 -68.1 -6.5 16.4 18.0 37.8 122 131 A K G < S+ 0 0 97 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 0.334 92.3 85.0 -99.7 6.0 18.9 17.2 35.0 123 132 A L S < S- 0 0 13 -3,-2.1 2,-0.1 -4,-0.1 -26,-0.0 -0.837 74.2-128.3-108.5 144.8 16.2 16.2 32.6 124 133 A N > - 0 0 87 -2,-0.4 4,-2.4 -28,-0.1 5,-0.2 -0.257 43.1 -89.9 -76.9 178.4 14.1 18.4 30.3 125 134 A H H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 126.3 47.4 -60.4 -49.0 10.3 18.0 30.3 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.5 93,-0.2 -1,-0.2 0.938 113.9 47.9 -56.3 -50.4 10.1 15.4 27.6 127 136 A Q H > S+ 0 0 16 -31,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.859 108.5 55.2 -60.4 -37.3 12.9 13.3 29.2 128 137 A R H X S+ 0 0 100 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 111.4 43.2 -66.5 -39.7 11.3 13.6 32.7 129 138 A I H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.868 111.6 54.4 -74.2 -36.1 8.0 12.2 31.4 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.2 -35,-0.4 -2,-0.2 0.898 112.2 44.8 -60.5 -39.1 9.8 9.5 29.4 131 140 A L H >< S+ 0 0 5 -4,-2.3 3,-2.0 -5,-0.2 4,-0.3 0.949 108.4 58.0 -67.5 -48.2 11.5 8.5 32.6 132 141 A K H 3< S+ 0 0 121 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.879 120.0 27.9 -47.2 -46.2 8.2 8.7 34.6 133 142 A Y T 3X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 -0.062 81.8 131.7-112.7 33.6 6.6 6.1 32.3 134 143 A F H <> S+ 0 0 26 -3,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.906 77.0 39.1 -54.1 -51.3 9.7 4.2 31.2 135 144 A G H >4 S+ 0 0 42 -4,-0.3 3,-2.1 -3,-0.2 4,-0.4 0.979 115.1 52.4 -64.9 -53.7 8.3 0.7 31.9 136 145 A D H >4 S+ 0 0 35 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.856 102.6 59.8 -47.0 -43.4 4.8 1.5 30.6 137 146 A F H 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.660 99.8 56.3 -69.9 -14.9 6.2 2.8 27.3 138 147 A E T << S+ 0 0 102 -3,-2.1 -1,-0.3 -4,-0.5 2,-0.3 0.462 88.6 92.7 -94.9 -1.6 7.8 -0.5 26.5 139 148 A K S < S- 0 0 104 -3,-1.7 2,-0.2 -4,-0.4 0, 0.0 -0.634 75.2-127.9 -83.8 148.3 4.6 -2.4 26.7 140 149 A R - 0 0 141 -2,-0.3 40,-0.2 104,-0.0 -2,-0.1 -0.533 17.4-118.0 -92.5 168.0 2.6 -2.9 23.6 141 150 A I E -A 179 0A 0 38,-3.0 38,-2.0 -2,-0.2 40,-0.1 -0.905 22.4-129.8-111.3 116.2 -1.1 -2.1 23.2 142 151 A P E >> -A 178 0A 56 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.345 24.1-118.0 -61.2 147.5 -3.5 -5.0 22.4 143 152 A R H 3> S+ 0 0 59 34,-2.5 4,-2.4 1,-0.2 5,-0.2 0.857 114.1 61.1 -53.7 -35.1 -5.8 -4.2 19.5 144 153 A E H 3> S+ 0 0 153 33,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.882 106.8 44.1 -61.2 -40.8 -8.8 -4.5 21.8 145 154 A E H <> S+ 0 0 30 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.830 109.5 56.9 -70.9 -34.1 -7.5 -1.6 24.0 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.892 105.4 52.3 -62.2 -38.2 -6.6 0.3 20.8 147 156 A L H X S+ 0 0 66 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 109.4 47.7 -64.2 -44.2 -10.3 -0.0 19.8 148 157 A Q H X S+ 0 0 70 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.898 112.4 49.9 -61.3 -40.8 -11.4 1.4 23.2 149 158 A M H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.929 109.0 52.4 -65.1 -43.4 -9.0 4.2 22.9 150 159 A Q H X S+ 0 0 45 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.902 107.7 51.3 -54.5 -47.0 -10.3 4.9 19.3 151 160 A D H X S+ 0 0 90 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.875 111.9 47.2 -64.2 -37.7 -13.9 5.1 20.6 152 161 A I H X S+ 0 0 38 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.966 115.4 44.2 -65.8 -53.5 -12.9 7.6 23.3 153 162 A V H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.949 115.1 46.9 -58.6 -52.6 -10.8 9.8 20.9 154 163 A L H X S+ 0 0 59 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.897 115.2 46.6 -59.2 -39.7 -13.4 9.8 18.1 155 164 A N H X S+ 0 0 70 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.864 112.5 48.3 -72.5 -33.7 -16.3 10.6 20.5 156 165 A E H X S+ 0 0 21 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.862 111.7 50.2 -74.7 -35.8 -14.5 13.4 22.4 157 166 A V H >X S+ 0 0 5 -4,-2.3 4,-2.2 -5,-0.3 3,-1.1 0.966 108.0 53.2 -62.5 -51.0 -13.5 15.0 19.2 158 167 A K H 3< S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.6 55.5 -51.5 -40.5 -17.1 14.8 17.9 159 168 A K H 3< S+ 0 0 138 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.802 107.4 49.1 -63.8 -32.0 -18.2 16.6 21.1 160 169 A V H << S- 0 0 43 -4,-1.2 2,-0.2 -3,-1.1 -2,-0.2 0.944 137.4 -16.3 -72.4 -49.9 -15.8 19.5 20.4 161 170 A D >< - 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