==== 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 4KLD . 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) . 17873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 67.2 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 . 31 9.5 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 . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.4 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 0 3 0 1 2 3 0 1 0 1 1 1 1 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 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 10 A T > 0 0 178 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -2.5 8.9 -16.8 12.2 2 11 A L T 3 + 0 0 92 1,-0.3 3,-0.2 36,-0.1 36,-0.1 0.926 360.0 7.8 -49.3 -56.4 10.3 -18.2 9.0 3 12 A N T 3> S+ 0 0 18 1,-0.1 4,-2.2 35,-0.1 -1,-0.3 -0.181 88.7 136.3-118.2 39.3 13.7 -16.5 9.4 4 13 A G H <> + 0 0 19 -3,-1.2 4,-2.3 1,-0.2 5,-0.2 0.780 65.3 61.0 -59.3 -32.9 13.1 -15.1 12.9 5 14 A G H > S+ 0 0 37 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.969 110.1 39.8 -56.3 -55.2 16.6 -16.0 14.1 6 15 A I H > S+ 0 0 5 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 115.8 49.5 -64.3 -45.3 18.3 -13.8 11.6 7 16 A T H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.888 109.7 51.9 -66.5 -36.3 15.9 -10.9 11.8 8 17 A D H X S+ 0 0 114 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.891 109.9 52.0 -60.6 -39.0 16.1 -10.9 15.6 9 18 A M H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.935 110.7 45.2 -62.6 -48.7 20.0 -10.8 15.2 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.834 109.2 55.5 -70.4 -32.3 20.0 -7.8 12.8 11 20 A T H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.874 107.4 50.4 -65.9 -38.0 17.4 -5.8 15.0 12 21 A E H X S+ 0 0 64 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.889 110.6 48.9 -65.1 -39.9 19.8 -6.2 18.0 13 22 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.890 110.8 51.5 -67.3 -38.1 22.7 -4.9 15.9 14 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.949 107.6 50.9 -61.8 -53.5 20.6 -2.0 14.7 15 24 A N H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.842 110.5 51.6 -54.6 -35.7 19.6 -1.0 18.3 16 25 A F H X>S+ 0 0 24 -4,-1.7 4,-1.9 2,-0.2 5,-1.7 0.895 109.2 48.2 -68.8 -42.2 23.3 -1.1 19.2 17 26 A E H <5S+ 0 0 11 -4,-2.1 6,-2.5 3,-0.2 5,-0.5 0.922 117.4 42.2 -67.8 -39.5 24.4 1.2 16.4 18 27 A K H <5S+ 0 0 55 -4,-2.4 -2,-0.2 4,-0.2 4,-0.2 0.957 124.6 31.3 -68.5 -51.6 21.7 3.7 17.1 19 28 A N H <5S+ 0 0 10 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.795 134.2 22.7 -84.4 -29.4 21.9 3.8 20.9 20 29 A V T <5S+ 0 0 12 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.872 128.7 35.5-105.8 -55.0 25.6 3.1 21.5 21 30 A S S > + 0 0 27 -6,-2.5 4,-2.0 1,-0.1 3,-0.6 -0.787 26.4 178.5-120.5 83.3 25.5 5.9 14.0 24 33 A I H 3> S+ 0 0 82 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.801 79.3 54.6 -62.6 -29.0 22.0 6.5 12.7 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.833 106.8 48.7 -79.4 -29.7 22.8 5.3 9.2 26 35 A K H <> S+ 0 0 123 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.853 111.1 53.5 -71.1 -34.8 24.1 1.9 10.3 27 36 A Y H X S+ 0 0 23 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.943 109.8 46.5 -61.0 -47.4 20.9 1.7 12.4 28 37 A N H X S+ 0 0 52 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.867 111.1 52.8 -63.0 -36.2 18.8 2.3 9.3 29 38 A A H X S+ 0 0 52 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.905 108.9 48.8 -68.6 -41.2 20.9 -0.2 7.2 30 39 A Y H X S+ 0 0 26 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.896 111.6 49.6 -63.8 -37.9 20.4 -3.0 9.7 31 40 A R H X S+ 0 0 42 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.848 109.5 51.2 -71.5 -33.8 16.6 -2.4 9.9 32 41 A K H X S+ 0 0 91 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.923 110.4 49.3 -66.6 -45.5 16.3 -2.4 6.1 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 22,-0.2 -2,-0.2 0.913 111.9 48.2 -58.8 -46.6 18.2 -5.7 5.9 34 43 A A H X S+ 0 0 8 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.892 112.5 50.9 -60.3 -38.7 15.9 -7.2 8.6 35 44 A S H X S+ 0 0 6 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.919 110.1 45.5 -69.2 -45.3 12.9 -5.9 6.8 36 45 A V H < S+ 0 0 29 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.847 115.0 50.2 -67.5 -30.8 13.7 -7.3 3.3 37 46 A I H >< S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.2 0.847 104.8 57.7 -74.4 -32.0 14.6 -10.6 4.9 38 47 A A H 3< S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.776 107.1 47.0 -71.1 -27.2 11.3 -10.7 6.8 39 48 A K T 3< S+ 0 0 113 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.430 86.4 109.2 -94.2 3.2 9.3 -10.5 3.6 40 49 A Y < - 0 0 51 -3,-0.9 -37,-0.1 -4,-0.3 4,-0.1 -0.653 63.1-147.7 -79.2 126.3 11.4 -13.2 1.9 41 50 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.300 69.0 71.4 -87.4 13.0 9.3 -16.4 1.6 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.846 86.9-105.2-121.0 158.7 12.0 -19.0 1.9 43 52 A K - 0 0 126 -2,-0.3 2,-0.2 1,-0.0 -40,-0.1 -0.752 44.0-120.6 -79.6 121.7 14.2 -20.2 4.8 44 53 A I - 0 0 5 -2,-0.6 3,-0.1 1,-0.1 -38,-0.1 -0.457 31.3-179.2 -67.5 130.1 17.7 -18.7 4.2 45 54 A K + 0 0 148 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.555 61.3 8.8-108.0 -14.2 20.4 -21.4 3.9 46 55 A S > - 0 0 40 1,-0.1 4,-1.5 22,-0.0 -1,-0.2 -0.989 66.9-112.7-159.0 161.8 23.6 -19.3 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 15,-0.1 0.893 115.4 61.2 -63.6 -40.2 25.0 -15.7 3.5 48 57 A A H > S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.892 103.3 49.8 -53.4 -43.8 25.5 -15.9 -0.3 49 58 A E H >4 S+ 0 0 42 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.929 111.6 49.3 -60.2 -45.0 21.8 -16.4 -0.8 50 59 A A H >< S+ 0 0 1 -4,-1.5 3,-2.1 1,-0.2 -2,-0.2 0.849 97.6 67.0 -62.4 -38.6 21.1 -13.4 1.5 51 60 A K H 3< S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.681 87.4 71.1 -64.2 -16.4 23.5 -11.1 -0.3 52 61 A K T << S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.793 81.6 89.0 -68.4 -28.0 21.2 -11.2 -3.3 53 62 A L S X S- 0 0 28 -3,-2.1 3,-1.8 -4,-0.3 2,-0.2 -0.457 93.4-102.0 -75.2 143.1 18.6 -9.1 -1.5 54 63 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.481 109.4 27.4 -64.5 126.3 18.9 -5.3 -1.8 55 64 A G T 3 S+ 0 0 42 -2,-0.2 2,-0.6 1,-0.2 -22,-0.2 0.330 95.0 105.4 102.0 -3.8 20.4 -3.9 1.5 56 65 A V < + 0 0 9 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.947 48.7 171.4-107.5 116.1 22.4 -7.0 2.3 57 66 A G > - 0 0 32 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.315 49.4 -71.6-111.8-165.4 26.1 -6.6 1.6 58 67 A T H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 126.7 48.0 -56.7 -45.4 29.4 -8.4 2.2 59 68 A K H > S+ 0 0 160 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 111.7 45.7 -69.2 -43.8 29.5 -7.7 5.9 60 69 A I H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.847 110.4 57.9 -68.0 -29.1 25.9 -8.8 6.8 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 103.7 50.2 -65.9 -40.9 26.5 -11.9 4.6 62 71 A E H X S+ 0 0 137 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.891 109.9 52.2 -65.0 -34.7 29.4 -13.0 6.7 63 72 A K H X S+ 0 0 32 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.887 107.8 50.3 -69.2 -39.3 27.4 -12.5 9.8 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.898 107.6 53.9 -64.5 -39.4 24.6 -14.7 8.5 65 74 A D H X S+ 0 0 80 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.895 110.2 48.3 -59.7 -39.9 27.1 -17.5 7.6 66 75 A E H X S+ 0 0 38 -4,-1.7 4,-1.9 2,-0.2 6,-0.4 0.936 113.1 45.9 -67.4 -46.5 28.3 -17.4 11.2 67 76 A F H X S+ 0 0 49 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.901 112.7 50.3 -63.0 -42.6 24.8 -17.5 12.8 68 77 A L H < S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.5 43.5 -64.6 -38.2 23.7 -20.3 10.5 69 78 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.779 132.7 16.4 -75.7 -30.1 26.8 -22.4 11.3 70 79 A T H < S- 0 0 76 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.569 92.1-119.9-124.7 -13.6 26.9 -21.8 15.1 71 80 A G S < S+ 0 0 54 -4,-2.8 2,-0.3 -5,-0.3 -4,-0.2 0.523 88.2 56.9 77.6 7.0 23.4 -20.5 16.2 72 81 A K S S- 0 0 84 -6,-0.4 2,-0.4 -5,-0.1 -2,-0.3 -0.955 75.6-120.9-152.5 173.1 25.0 -17.3 17.6 73 82 A L >> - 0 0 8 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.964 10.7-150.2-126.0 119.0 27.1 -14.3 16.7 74 83 A R H 3> S+ 0 0 156 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.871 98.0 57.6 -51.8 -43.1 30.4 -13.6 18.5 75 84 A K H 3> S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 110.1 42.3 -53.1 -49.1 30.0 -9.8 18.0 76 85 A L H <> S+ 0 0 6 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.770 107.2 62.9 -70.6 -28.5 26.7 -9.7 19.7 77 86 A E H X S+ 0 0 73 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.946 108.9 40.5 -56.3 -52.5 27.9 -12.1 22.5 78 87 A K H X S+ 0 0 153 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.837 111.7 55.4 -65.1 -43.4 30.5 -9.5 23.6 79 88 A I H >< S+ 0 0 25 -4,-1.7 3,-1.4 1,-0.2 7,-0.2 0.949 108.8 48.6 -56.6 -49.4 28.1 -6.6 23.2 80 89 A R H 3< S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.0 53.4 -58.0 -33.7 25.7 -8.3 25.5 81 90 A Q H 3< S+ 0 0 136 -4,-1.1 2,-0.9 -5,-0.2 -1,-0.3 0.518 87.4 93.2 -83.2 -6.4 28.6 -8.9 27.9 82 91 A D S+ 0 0 129 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.815 86.8 56.2 -58.1 -33.5 27.8 -3.7 31.0 84 93 A T H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 109.5 44.2 -66.8 -45.4 28.4 -0.1 29.7 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.866 113.3 53.6 -64.6 -35.6 26.8 -0.8 26.3 86 95 A S H X S+ 0 0 51 -4,-2.1 4,-2.2 -7,-0.2 -2,-0.2 0.895 108.6 47.1 -68.3 -41.0 23.9 -2.6 28.1 87 96 A S H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.923 111.2 51.1 -66.3 -44.2 23.2 0.3 30.4 88 97 A I H X S+ 0 0 2 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.955 111.7 48.1 -59.0 -46.8 23.2 2.9 27.6 89 98 A N H < S+ 0 0 41 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.905 110.4 52.2 -59.3 -44.5 20.8 0.8 25.6 90 99 A F H >< S+ 0 0 57 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.899 103.6 55.4 -60.0 -44.7 18.5 0.3 28.6 91 100 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.830 96.0 65.5 -62.7 -34.1 18.1 4.0 29.4 92 101 A T T 3< S+ 0 0 25 -4,-1.3 -1,-0.3 1,-0.3 5,-0.2 0.676 85.8 74.8 -63.3 -14.1 17.0 4.9 25.9 93 102 A R T < S+ 0 0 148 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.729 76.6 91.4 -71.8 -18.6 13.9 2.9 26.6 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.0 -4,-0.3 2,-0.2 -0.620 93.3-107.2 -73.9 130.3 12.5 5.7 28.8 95 104 A S T 3 S+ 0 0 37 -2,-0.3 35,-0.4 1,-0.2 36,-0.2 -0.412 106.4 21.9 -59.5 122.0 10.4 8.2 26.9 96 105 A G T 3 S+ 0 0 34 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.223 98.9 100.8 101.2 -14.0 12.4 11.4 26.6 97 106 A I < + 0 0 8 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.927 48.4 173.0-103.7 119.7 15.9 9.9 27.0 98 107 A G > - 0 0 28 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.375 50.3 -71.9-109.6-167.1 17.8 9.3 23.7 99 108 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.851 127.8 47.0 -56.7 -41.6 21.4 8.2 22.8 100 109 A S H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.925 116.2 42.1 -68.9 -47.3 23.1 11.5 23.9 101 110 A A H > S+ 0 0 20 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.899 113.6 54.1 -65.7 -41.3 21.3 11.8 27.3 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 110.7 45.2 -57.8 -47.5 21.7 8.1 28.0 103 112 A R H X S+ 0 0 90 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.932 113.4 50.4 -66.9 -41.9 25.5 8.2 27.4 104 113 A K H X S+ 0 0 90 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.954 112.3 47.2 -55.0 -53.4 25.8 11.4 29.5 105 114 A F H ><>S+ 0 0 5 -4,-3.2 5,-2.6 1,-0.2 3,-0.5 0.932 114.3 46.3 -55.4 -47.1 23.8 9.7 32.3 106 115 A V H ><5S+ 0 0 14 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.882 106.4 57.2 -68.7 -36.9 25.9 6.5 32.1 107 116 A D H 3<5S+ 0 0 121 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.801 109.0 50.5 -58.2 -26.5 29.2 8.5 32.0 108 117 A E T <<5S- 0 0 103 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.293 125.1-103.1 -96.0 6.1 27.9 9.9 35.3 109 118 A G T < 5S+ 0 0 38 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.597 79.8 130.5 83.3 12.0 27.2 6.6 36.9 110 119 A I < + 0 0 10 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.892 16.9 135.4 -96.6 115.9 23.4 6.6 36.4 111 120 A K + 0 0 94 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.158 46.6 62.8-154.5 26.9 22.4 3.3 34.8 112 121 A T S > S- 0 0 61 1,-0.1 4,-1.8 -22,-0.0 5,-0.2 -0.967 80.6-109.8-145.9 163.3 19.3 1.8 36.5 113 122 A L H > S+ 0 0 37 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.885 122.2 52.1 -58.5 -39.4 15.6 2.6 37.0 114 123 A E H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 104.8 55.1 -61.1 -45.7 16.4 3.1 40.7 115 124 A D H 4 S+ 0 0 30 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.865 109.0 48.3 -57.6 -39.3 19.3 5.5 39.8 116 125 A L H >< S+ 0 0 4 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.904 104.7 58.9 -68.9 -41.0 16.8 7.6 37.8 117 126 A R H 3< S+ 0 0 141 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.804 110.9 41.6 -61.0 -29.8 14.2 7.8 40.5 118 127 A K T 3< S+ 0 0 142 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.367 114.0 52.3-101.6 8.2 16.6 9.4 42.9 119 128 A N X + 0 0 39 -3,-1.3 3,-2.3 -4,-0.2 -1,-0.2 -0.136 63.7 133.0-124.8 37.4 18.2 11.7 40.4 120 129 A E G > + 0 0 78 -3,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.765 61.9 73.5 -61.5 -24.5 14.9 13.3 39.1 121 130 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.669 92.8 56.0 -61.0 -17.6 16.5 16.7 39.4 122 131 A K G < S+ 0 0 88 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.3 0.491 97.5 83.5 -91.2 -4.7 18.5 15.8 36.4 123 132 A L S < S- 0 0 11 -3,-2.1 2,-0.1 -4,-0.2 -26,-0.0 -0.752 70.6-134.8-104.3 147.2 15.4 15.1 34.3 124 133 A N > - 0 0 82 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.304 41.0 -91.3 -87.3 177.6 13.1 17.4 32.4 125 134 A H H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.917 126.9 51.7 -60.4 -40.4 9.3 17.3 32.5 126 135 A H H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 110.7 47.2 -59.4 -48.7 9.1 14.9 29.6 127 136 A Q H > S+ 0 0 16 1,-0.2 4,-2.2 -31,-0.2 -1,-0.2 0.861 107.7 56.5 -65.4 -36.1 11.6 12.5 31.1 128 137 A R H X S+ 0 0 97 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 109.1 45.8 -62.9 -40.8 9.8 12.5 34.5 129 138 A I H X S+ 0 0 14 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.885 110.1 54.2 -68.9 -39.9 6.5 11.4 33.0 130 139 A G H < S+ 0 0 1 -4,-2.0 -35,-0.2 -35,-0.4 -2,-0.2 0.918 112.0 45.6 -58.2 -42.2 8.4 8.7 30.9 131 140 A L H >< S+ 0 0 10 -4,-2.2 3,-1.6 -36,-0.2 4,-0.3 0.924 107.9 57.1 -65.2 -45.5 9.8 7.5 34.2 132 141 A K H 3< S+ 0 0 134 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.894 119.1 29.5 -54.9 -43.1 6.5 7.6 36.1 133 142 A Y T 3X S+ 0 0 15 -4,-2.0 4,-3.2 1,-0.2 -1,-0.3 0.063 81.1 125.1-109.1 24.7 4.7 5.3 33.6 134 143 A F H <> S+ 0 0 27 -3,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.885 80.1 40.9 -54.6 -47.2 7.7 3.2 32.5 135 144 A G H >> S+ 0 0 44 -4,-0.3 4,-0.8 -3,-0.2 3,-0.8 0.946 115.8 50.6 -64.4 -49.1 6.1 -0.1 33.3 136 145 A D H >4 S+ 0 0 39 1,-0.2 3,-0.8 -4,-0.2 -2,-0.2 0.891 110.0 51.5 -55.3 -41.4 2.8 0.9 32.0 137 146 A F H 3< S+ 0 0 43 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.653 98.8 63.1 -76.6 -17.9 4.4 2.1 28.7 138 147 A E H << S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.771 90.8 88.5 -70.6 -25.6 6.2 -1.2 28.1 139 148 A K S << S- 0 0 119 -4,-0.8 2,-0.1 -3,-0.8 -3,-0.0 -0.438 74.0-131.4 -80.3 146.8 2.8 -3.0 27.9 140 149 A R - 0 0 140 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.444 20.3-116.3 -90.2 168.2 0.8 -3.4 24.7 141 150 A I E -A 179 0A 1 38,-3.4 38,-2.2 -2,-0.1 2,-0.1 -0.913 20.3-129.4-112.5 121.1 -2.9 -2.6 24.3 142 151 A P E >> -A 178 0A 52 0, 0.0 4,-1.7 0, 0.0 3,-1.6 -0.457 24.5-120.2 -65.5 141.3 -5.4 -5.4 23.4 143 152 A R H 3> S+ 0 0 73 34,-2.1 4,-1.8 1,-0.3 5,-0.1 0.777 111.3 66.6 -55.0 -28.9 -7.6 -4.4 20.5 144 153 A E H 3> S+ 0 0 132 33,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.885 105.3 41.7 -58.9 -39.8 -10.7 -4.7 22.8 145 154 A E H <> S+ 0 0 26 -3,-1.6 4,-2.8 2,-0.2 5,-0.2 0.862 106.5 61.1 -76.0 -40.0 -9.5 -1.8 24.8 146 155 A M H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.888 104.5 53.2 -49.9 -37.4 -8.4 0.2 21.7 147 156 A L H X S+ 0 0 83 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.915 108.2 46.7 -67.5 -43.2 -12.2 -0.1 20.8 148 157 A Q H X S+ 0 0 73 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.893 113.4 50.5 -63.2 -40.6 -13.3 1.4 24.1 149 158 A M H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.935 108.1 52.2 -64.3 -47.1 -10.8 4.1 23.8 150 159 A Q H X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.907 107.6 52.6 -53.7 -45.7 -12.0 4.9 20.3 151 160 A D H X S+ 0 0 113 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.865 109.8 48.6 -62.9 -36.5 -15.6 5.2 21.5 152 161 A I H X S+ 0 0 38 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.962 112.6 46.1 -69.3 -49.3 -14.7 7.7 24.2 153 162 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.928 112.9 49.4 -61.3 -45.1 -12.6 10.0 21.9 154 163 A L H X S+ 0 0 70 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.892 111.1 49.8 -63.4 -39.0 -15.2 10.1 19.1 155 164 A N H X S+ 0 0 75 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.855 113.8 44.5 -65.3 -37.6 -18.1 10.9 21.6 156 165 A E H X S+ 0 0 19 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.904 111.1 52.4 -79.2 -39.9 -16.2 13.8 23.2 157 166 A V H >X S+ 0 0 7 -4,-2.6 4,-2.0 -5,-0.2 3,-1.1 0.937 108.7 52.9 -56.1 -44.2 -14.9 15.2 20.0 158 167 A K H 3< S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 103.5 56.2 -62.8 -34.1 -18.5 15.2 18.7 159 168 A K H 3< S+ 0 0 121 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.719 107.0 50.3 -70.7 -20.9 -19.7 17.1 21.8 160 169 A V H << S- 0 0 40 -3,-1.1 2,-0.3 -4,-1.0 -2,-0.2 0.925 136.7 -19.4 -82.4 -49.4 -17.2 19.9 21.0 161 170 A D >< - 0 0 45 -4,-2.0 3,-1.6 1,-0.0 -1,-0.3 -0.880 51.1-143.5-160.4 126.1 -18.2 20.3 17.4 162 171 A S T 3 S+ 0 0 99 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.666 99.0 69.1 -65.6 -14.6 -20.1 17.8 15.2 163 172 A E T 3 S+ 0 0 115 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.551 77.4 96.4 -84.8 -9.1 -17.9 19.0 12.3 164 173 A Y < - 0 0 12 -3,-1.6 2,-0.4 -7,-0.2 24,-0.2 -0.496 58.7-159.3 -69.4 152.9 -14.7 17.5 13.7 165 174 A I E -B 187 0B 89 22,-1.6 22,-1.5 -2,-0.1 2,-0.5 -0.969 4.5-165.5-135.3 123.0 -13.7 14.0 12.4 166 175 A A E -B 186 0B 14 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.913 3.6-172.2-112.9 131.1 -11.3 11.8 14.3 167 176 A T E -B 185 0B 34 18,-2.6 18,-3.3 -2,-0.5 2,-0.5 -0.978 18.7-138.0-126.0 123.6 -9.6 8.8 12.9 168 177 A V E +B 184 0B 7 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.676 36.0 168.4 -79.5 124.2 -7.5 6.2 14.8 169 178 A C > + 0 0 1 14,-3.1 3,-0.8 -2,-0.5 4,-0.5 -0.113 26.2 65.6-116.0-151.1 -4.4 5.3 12.9 170 179 A G T 3> S- 0 0 5 93,-0.9 4,-1.5 1,-0.2 3,-0.3 -0.273 113.7 -17.8 69.1-150.0 -1.0 3.4 13.4 171 180 A S T 34>S+ 0 0 18 1,-0.2 5,-1.9 2,-0.2 -1,-0.2 0.827 134.0 64.4 -60.6 -31.1 -0.9 -0.3 14.0 172 181 A F T X45S+ 0 0 15 -3,-0.8 3,-2.1 9,-0.3 -1,-0.2 0.968 104.7 44.6 -53.3 -53.9 -4.6 -0.2 15.1 173 182 A R T 345S+ 0 0 68 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.819 104.3 63.7 -65.0 -29.1 -5.6 0.8 11.6 174 183 A R T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 90,-0.2 -2,-0.2 0.404 120.4-110.4 -73.5 3.0 -3.2 -1.9 10.2 175 184 A G T < 5 + 0 0 37 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.506 57.0 168.1 85.4 6.5 -5.5 -4.4 11.9 176 185 A A < - 0 0 32 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.129 40.7-133.2 -56.7 147.4 -3.1 -5.5 14.6 177 186 A E S S+ 0 0 161 1,-0.2 -34,-2.1 -35,-0.1 2,-0.3 0.675 92.4 15.2 -77.1 -20.1 -4.4 -7.6 17.5 178 187 A S E S-A 142 0A 39 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.984 75.0-149.0-149.9 153.4 -2.6 -5.4 20.0 179 188 A S E -A 141 0A 1 -38,-2.2 -38,-3.4 -2,-0.3 3,-0.1 -0.838 20.1-137.3-124.4 159.1 -1.0 -2.0 19.7 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.828 84.6 -26.4 -78.0 -40.0 1.9 -0.1 21.3 181 190 A D S S- 0 0 36 63,-0.1 2,-0.4 -40,-0.1 -9,-0.3 -0.958 70.8 -86.2-161.9 177.5 -0.1 3.2 21.7 182 191 A M E - c 0 246B 0 63,-2.0 65,-2.4 -2,-0.3 2,-0.5 -0.829 30.9-170.8 -99.2 133.0 -3.0 5.2 20.3 183 192 A D E - c 0 247B 19 -14,-0.5 -14,-3.1 -2,-0.4 2,-0.5 -0.987 5.6-166.8-124.0 121.5 -2.5 7.6 17.3 184 193 A V E -Bc 168 248B 4 63,-3.3 65,-2.4 -2,-0.5 2,-0.5 -0.935 7.9-156.8-117.5 119.1 -5.4 10.0 16.4 185 194 A L E -Bc 167 249B 2 -18,-3.3 -18,-2.6 -2,-0.5 2,-0.4 -0.804 18.4-165.6 -91.6 129.1 -5.6 11.9 13.2 186 195 A L E +Bc 166 250B 1 63,-2.6 65,-2.4 -2,-0.5 2,-0.3 -0.935 12.3 174.7-121.7 139.1 -7.9 15.0 13.5 187 196 A T E -B 165 0B 9 -22,-1.5 -22,-1.6 -2,-0.4 5,-0.1 -0.937 6.1-178.3-132.2 160.3 -9.4 17.4 10.9 188 197 A H > - 0 0 2 3,-0.4 3,-2.6 63,-0.3 65,-0.4 -0.933 35.7-124.3-155.6 134.5 -11.9 20.3 11.0 189 198 A P T 3 S+ 0 0 55 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.713 108.2 67.2 -57.2 -16.2 -13.2 22.3 8.0 190 199 A S T 3 S+ 0 0 22 1,-0.1 7,-2.1 6,-0.1 2,-0.6 0.654 94.3 62.3 -74.6 -18.0 -11.9 25.5 9.6 191 200 A F B < +F 196 0C 27 -3,-2.6 62,-2.6 5,-0.2 -3,-0.4 -0.930 66.9 143.6-117.9 110.0 -8.2 24.4 9.2 192 201 A T - 0 0 39 3,-2.0 -2,-0.0 -2,-0.6 5,-0.0 -0.807 65.3 -90.7-135.1 175.8 -7.0 24.0 5.6 193 202 A S S S+ 0 0 63 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.797 123.5 50.2 -59.0 -26.5 -3.8 24.5 3.6 194 203 A E S S- 0 0 169 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.924 119.1 -5.9 -81.5 -48.7 -5.1 28.0 2.8 195 204 A S - 0 0 47 -5,-0.0 -3,-2.0 3,-0.0 2,-0.8 -0.982 48.4-128.1-151.2 159.3 -6.1 29.5 6.1 196 205 A T B +F 191 0C 93 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.783 34.5 167.1-107.8 84.0 -6.6 29.0 9.8 197 206 A K + 0 0 164 -7,-2.1 -1,-0.2 -2,-0.8 -6,-0.1 0.831 61.9 52.0 -70.7 -35.2 -10.1 30.3 10.3 198 207 A Q S > S- 0 0 61 -8,-0.5 3,-0.6 -3,-0.2 2,-0.1 -0.897 77.0-138.7-109.3 133.8 -10.6 28.9 13.9 199 208 A P T 3 S+ 0 0 90 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.482 82.0 8.4 -79.3 154.5 -8.2 29.5 16.8 200 209 A K T 3> S+ 0 0 151 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 0.746 72.8 156.5 46.4 34.6 -7.2 26.7 19.2 201 210 A L H <> S+ 0 0 6 -3,-0.6 4,-0.8 1,-0.2 -1,-0.1 0.898 79.0 38.9 -52.0 -44.4 -8.9 24.0 17.2 202 211 A L H > S+ 0 0 5 21,-0.4 4,-2.4 1,-0.2 3,-0.4 0.891 112.5 59.1 -74.7 -38.0 -6.6 21.4 18.7 203 212 A H H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.880 99.9 54.0 -58.6 -45.1 -6.8 23.0 22.1 204 213 A Q H X S+ 0 0 68 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.835 111.5 47.1 -61.0 -33.6 -10.6 22.8 22.5 205 214 A V H X S+ 0 0 4 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