==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 26-MAR-10 3MBY . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,E.W.HOU,L.C.PEDERSEN,R.PRASAD,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.7 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 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 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 0 172 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 30.7 9.3 -15.4 11.9 2 11 A L T 3 + 0 0 95 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.854 360.0 23.8 -59.7 -38.6 11.2 -17.7 9.5 3 12 A N T 3> S+ 0 0 13 35,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.178 78.4 136.9-123.1 39.6 14.4 -15.7 9.9 4 13 A G H <> S+ 0 0 16 -3,-1.1 4,-2.4 1,-0.2 5,-0.2 0.850 70.5 57.1 -54.5 -40.4 13.9 -14.1 13.4 5 14 A G H > S+ 0 0 34 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 111.6 42.0 -58.9 -45.0 17.4 -14.8 14.5 6 15 A I H > S+ 0 0 4 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.921 114.2 49.4 -69.3 -46.8 18.9 -12.9 11.5 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.870 110.9 50.6 -63.7 -35.3 16.5 -10.0 11.7 8 17 A D H X S+ 0 0 109 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.913 109.6 51.9 -66.8 -40.8 17.0 -9.6 15.4 9 18 A M H X S+ 0 0 7 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.911 111.8 45.5 -59.9 -45.0 20.8 -9.6 14.8 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.860 111.4 52.7 -68.4 -36.3 20.5 -6.9 12.2 11 20 A T H X S+ 0 0 57 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.927 108.9 49.3 -66.5 -42.3 18.2 -4.8 14.3 12 21 A E H X S+ 0 0 61 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.929 113.2 47.4 -62.2 -43.7 20.6 -4.9 17.2 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.926 111.0 51.8 -62.1 -44.8 23.4 -3.9 14.9 14 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.949 110.3 48.6 -56.5 -48.9 21.2 -1.1 13.5 15 24 A N H X S+ 0 0 64 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.875 109.8 52.7 -60.5 -37.3 20.5 0.1 17.0 16 25 A F H X>S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 5,-1.7 0.942 109.4 47.8 -63.4 -48.5 24.2 0.1 17.8 17 26 A E H <>S+ 0 0 9 -4,-2.6 6,-2.9 3,-0.2 5,-0.7 0.891 117.7 42.6 -60.8 -39.5 25.1 2.2 14.8 18 27 A K H <5S+ 0 0 66 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.965 124.6 31.0 -71.1 -54.9 22.4 4.7 15.6 19 28 A N H <5S+ 0 0 15 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.893 134.4 22.1 -74.4 -43.8 22.8 5.0 19.4 20 29 A V T <5S+ 0 0 14 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.921 131.7 33.0 -92.2 -53.4 26.5 4.4 19.8 21 30 A S T + 0 0 29 -6,-2.9 4,-1.7 1,-0.1 3,-0.5 -0.824 24.9 178.3-119.2 86.6 26.0 6.6 12.0 24 33 A I H > S+ 0 0 78 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.746 76.9 56.0 -65.0 -27.2 22.4 7.0 10.8 25 34 A H H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 109.1 47.4 -75.4 -30.0 23.0 5.7 7.3 26 35 A K H > S+ 0 0 117 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.859 110.3 54.6 -74.3 -34.2 24.4 2.5 8.7 27 36 A Y H X S+ 0 0 34 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.968 111.4 42.8 -60.8 -53.1 21.3 2.4 10.9 28 37 A N H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 111.0 56.8 -62.4 -36.6 19.0 2.7 8.0 29 38 A A H X S+ 0 0 50 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.961 109.4 44.4 -59.6 -51.9 21.0 0.2 6.0 30 39 A Y H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 113.6 50.6 -61.1 -39.0 20.7 -2.5 8.7 31 40 A R H X S+ 0 0 64 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.886 109.3 50.8 -67.1 -38.1 17.0 -1.8 9.1 32 41 A K H X S+ 0 0 103 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.914 112.2 47.0 -64.5 -43.0 16.4 -2.0 5.4 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 22,-0.3 5,-0.2 0.914 112.5 49.7 -64.4 -44.2 18.2 -5.4 5.2 34 43 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.923 111.7 49.9 -60.3 -44.8 16.3 -6.6 8.3 35 44 A S H X S+ 0 0 9 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.948 111.6 45.2 -61.6 -50.3 13.0 -5.5 6.7 36 45 A V H < S+ 0 0 16 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.862 115.5 48.5 -64.9 -32.3 13.6 -7.2 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.876 104.8 59.9 -73.1 -36.4 14.8 -10.4 5.1 38 47 A A H 3< S+ 0 0 69 -4,-2.5 -36,-0.2 1,-0.3 -1,-0.2 0.821 109.3 42.2 -61.4 -32.1 11.8 -10.4 7.4 39 48 A K T 3< S+ 0 0 129 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.484 83.7 117.3 -94.4 -3.1 9.4 -10.6 4.4 40 49 A Y < - 0 0 47 -3,-0.9 -38,-0.1 -4,-0.4 4,-0.1 -0.530 63.3-142.5 -66.5 121.5 11.5 -13.2 2.5 41 50 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.253 73.2 72.3 -72.4 12.0 9.2 -16.3 2.4 42 51 A H S S- 0 0 110 -39,-0.0 2,-0.8 0, 0.0 -2,-0.1 -0.962 87.5-110.4-130.9 147.9 12.0 -18.8 2.9 43 52 A K - 0 0 156 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.655 48.9-119.9 -74.8 109.6 14.1 -19.9 5.8 44 53 A I - 0 0 5 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 -0.281 30.8-175.0 -57.0 128.5 17.5 -18.5 4.8 45 54 A K + 0 0 171 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.584 62.1 6.2-101.2 -14.5 20.2 -21.1 4.4 46 55 A S > - 0 0 39 1,-0.1 4,-2.1 22,-0.0 -1,-0.2 -0.997 65.9-109.5-164.2 163.3 23.2 -18.9 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 117.6 57.8 -63.2 -38.3 24.7 -15.5 3.3 48 57 A A H > S+ 0 0 66 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.910 106.5 48.4 -58.1 -44.0 24.9 -16.0 -0.5 49 58 A E H >4 S+ 0 0 33 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.931 113.7 46.7 -61.7 -47.1 21.1 -16.6 -0.6 50 59 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 6,-0.2 0.894 101.9 65.0 -63.3 -39.8 20.4 -13.5 1.5 51 60 A K H 3< S+ 0 0 102 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.674 88.0 70.4 -59.2 -17.2 22.8 -11.4 -0.6 52 61 A K T << S+ 0 0 183 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.737 83.5 88.5 -72.2 -20.5 20.4 -11.9 -3.5 53 62 A L S X S- 0 0 27 -3,-2.3 3,-1.8 -4,-0.3 2,-0.4 -0.547 93.1-104.1 -80.6 141.8 17.9 -9.6 -1.8 54 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.501 108.6 29.4 -67.8 117.6 18.0 -5.8 -2.3 55 64 A G T 3 S+ 0 0 34 -2,-0.4 2,-0.7 1,-0.3 -22,-0.3 0.115 95.8 100.9 118.7 -19.3 19.6 -4.2 0.7 56 65 A V < + 0 0 7 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.1 -0.893 50.8 171.2-101.6 118.0 21.7 -7.2 1.7 57 66 A G > - 0 0 32 -2,-0.7 4,-2.0 -3,-0.1 5,-0.2 -0.270 49.2 -71.0-109.5-161.8 25.3 -6.7 0.6 58 67 A T H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 125.2 49.3 -59.6 -52.5 28.7 -8.4 1.2 59 68 A K H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 114.1 43.2 -56.1 -51.9 29.1 -7.4 4.8 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.872 111.3 56.5 -65.3 -33.3 25.7 -8.5 6.0 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.924 107.2 49.0 -62.9 -42.7 26.0 -11.7 4.0 62 71 A E H X S+ 0 0 120 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 111.4 49.5 -63.3 -39.5 29.2 -12.5 5.8 63 72 A K H X S+ 0 0 27 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.887 107.1 54.8 -67.0 -38.6 27.5 -11.8 9.2 64 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.902 107.2 50.8 -62.3 -39.8 24.5 -14.0 8.2 65 74 A D H X S+ 0 0 73 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.921 110.4 48.7 -64.5 -42.4 26.9 -16.9 7.5 66 75 A E H X S+ 0 0 39 -4,-1.9 4,-2.5 1,-0.2 6,-0.5 0.937 113.5 47.8 -61.2 -45.5 28.6 -16.5 10.9 67 76 A F H X S+ 0 0 46 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.900 111.7 49.2 -62.0 -43.3 25.2 -16.4 12.6 68 77 A L H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 115.5 44.4 -65.1 -37.2 24.0 -19.5 10.8 69 78 A A H < S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.843 132.9 15.5 -77.5 -34.2 27.1 -21.4 11.6 70 79 A T H < S- 0 0 87 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.551 89.6-123.9-118.2 -12.0 27.4 -20.4 15.3 71 80 A G S < S+ 0 0 46 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.615 86.8 73.6 75.5 10.2 24.0 -18.9 16.3 72 81 A K S S- 0 0 124 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.922 70.9-135.3-147.2 171.3 26.0 -15.8 17.4 73 82 A L >> - 0 0 5 -2,-0.3 4,-2.3 1,-0.1 3,-1.0 -0.945 9.7-155.6-135.7 110.0 27.8 -12.8 16.1 74 83 A R H 3> S+ 0 0 179 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.875 95.0 60.3 -52.0 -42.7 31.2 -12.0 17.8 75 84 A K H 3> S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.867 111.5 40.9 -55.2 -36.9 30.9 -8.3 16.8 76 85 A L H <> S+ 0 0 4 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.842 108.7 58.6 -80.2 -35.5 27.7 -8.2 18.9 77 86 A E H X S+ 0 0 68 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.905 108.8 47.4 -60.4 -37.7 29.0 -10.3 21.7 78 87 A K H >X S+ 0 0 128 -4,-2.5 3,-1.3 2,-0.2 4,-1.2 0.949 110.7 50.2 -66.8 -50.1 31.8 -7.7 22.1 79 88 A I H >< S+ 0 0 16 -4,-1.6 3,-0.9 1,-0.3 -2,-0.2 0.907 104.7 58.5 -54.9 -44.1 29.3 -4.8 22.0 80 89 A R H 3< S+ 0 0 99 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.759 108.8 46.5 -58.6 -24.5 27.2 -6.5 24.6 81 90 A Q H << S+ 0 0 136 -3,-1.3 2,-0.6 -4,-0.7 -1,-0.3 0.656 86.1 99.2 -92.8 -18.2 30.2 -6.5 27.0 82 91 A D S+ 0 0 124 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.859 89.7 51.8 -61.1 -39.7 29.8 -1.0 29.4 84 93 A T H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 113.0 44.2 -64.9 -45.2 29.8 2.4 27.6 85 94 A S H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.878 114.9 50.7 -65.6 -36.9 27.9 1.0 24.6 86 95 A S H X S+ 0 0 46 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.884 111.2 47.4 -67.5 -39.9 25.6 -0.8 27.0 87 96 A S H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.929 113.4 47.7 -67.4 -45.8 25.0 2.4 29.0 88 97 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.923 111.1 50.5 -62.7 -45.6 24.3 4.5 26.0 89 98 A N H < S+ 0 0 40 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.901 112.4 48.2 -61.2 -39.0 21.9 1.9 24.5 90 99 A F H >< S+ 0 0 47 -4,-1.9 3,-2.1 1,-0.2 4,-0.2 0.962 109.6 50.0 -65.5 -52.7 20.0 1.7 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 6,-0.2 0.836 102.1 62.6 -55.9 -35.2 19.6 5.4 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.599 86.3 75.3 -68.8 -8.4 18.4 5.9 24.6 93 102 A R T < S+ 0 0 128 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.637 77.5 89.3 -76.7 -12.5 15.4 3.7 25.5 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.1 -4,-0.2 2,-0.1 -0.736 92.5-113.4 -85.0 126.8 14.0 6.7 27.5 95 104 A S T 3 S+ 0 0 38 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.427 104.2 26.1 -62.6 129.4 11.8 8.9 25.2 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.064 97.2 101.3 104.9 -25.2 13.6 12.2 24.8 97 106 A I < + 0 0 5 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.849 52.4 176.1 -96.7 110.0 17.1 10.9 25.4 98 107 A G > - 0 0 28 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.283 48.8 -75.3-100.5-169.8 18.8 10.4 22.1 99 108 A P H > S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.865 129.6 45.5 -53.1 -43.5 22.4 9.4 21.1 100 109 A S H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.963 115.0 43.9 -68.9 -53.2 23.9 12.7 22.1 101 110 A A H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.875 111.8 56.2 -60.7 -37.5 22.1 13.1 25.4 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.949 109.7 43.2 -60.0 -51.2 22.9 9.5 26.3 103 112 A R H X S+ 0 0 80 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.901 113.5 53.5 -61.7 -41.5 26.6 9.9 25.8 104 113 A K H X S+ 0 0 117 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.948 110.1 46.5 -58.2 -50.5 26.5 13.2 27.6 105 114 A F H <>S+ 0 0 11 -4,-3.0 5,-2.9 1,-0.2 -2,-0.2 0.903 110.8 52.3 -60.4 -41.9 24.8 11.6 30.6 106 115 A V H ><5S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.924 107.4 53.1 -59.9 -43.3 27.2 8.7 30.6 107 116 A D H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.890 108.7 50.6 -57.2 -40.1 30.1 11.2 30.6 108 117 A E T 3<5S- 0 0 78 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.310 124.0-101.6 -83.2 7.9 28.5 12.8 33.7 109 118 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.577 84.6 126.1 84.3 8.7 28.2 9.5 35.6 110 119 A I < + 0 0 9 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.887 19.7 128.5-102.2 107.3 24.4 9.1 34.9 111 120 A K + 0 0 80 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.384 49.5 63.1-143.2 7.4 23.9 5.7 33.3 112 121 A T S > S- 0 0 49 1,-0.1 4,-2.2 -22,-0.1 5,-0.2 -0.835 82.6-108.4-129.8 169.3 21.2 3.7 35.1 113 122 A L H > S+ 0 0 28 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.900 122.1 53.7 -62.0 -38.9 17.5 4.0 35.7 114 123 A E H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 107.0 50.2 -61.7 -43.4 18.3 4.8 39.3 115 124 A D H > S+ 0 0 36 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.898 110.0 50.6 -62.7 -42.2 20.7 7.6 38.3 116 125 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 6,-0.2 0.947 107.6 53.5 -60.9 -47.6 18.1 9.1 36.1 117 126 A R H >< S+ 0 0 143 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.810 111.0 45.5 -58.0 -33.4 15.5 9.1 38.8 118 127 A K H 3< S+ 0 0 157 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.504 114.6 50.0 -89.1 -5.0 17.8 10.9 41.2 119 128 A N T X< + 0 0 44 -3,-1.4 3,-2.7 -4,-0.7 -1,-0.2 -0.047 62.3 133.7-122.5 32.6 18.8 13.5 38.6 120 129 A E G X + 0 0 76 -3,-0.6 3,-2.4 1,-0.3 -1,-0.1 0.830 68.9 66.0 -50.2 -36.6 15.4 14.6 37.2 121 130 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.551 94.5 61.4 -65.5 -4.4 16.5 18.2 37.4 122 131 A K G < S+ 0 0 91 -3,-2.7 2,-0.3 -6,-0.2 -1,-0.3 0.400 94.0 81.3 -99.4 -0.6 19.0 17.3 34.7 123 132 A L S < S- 0 0 21 -3,-2.4 2,-0.1 -4,-0.2 -26,-0.0 -0.798 75.2-127.9-109.4 148.7 16.3 16.3 32.2 124 133 A N > - 0 0 88 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.279 44.9 -89.1 -80.0 177.6 14.2 18.5 29.9 125 134 A H H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.914 125.7 48.6 -55.3 -52.0 10.4 18.1 30.0 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 113.1 48.2 -54.9 -50.8 10.1 15.4 27.4 127 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 107.2 56.8 -58.6 -39.9 12.8 13.3 29.0 128 137 A R H X S+ 0 0 115 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.915 111.0 42.5 -58.9 -45.1 11.2 13.7 32.5 129 138 A I H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.862 110.4 57.1 -71.2 -35.2 8.0 12.2 31.2 130 139 A G H < S+ 0 0 2 -4,-2.3 -35,-0.3 -35,-0.4 -2,-0.2 0.879 111.2 43.0 -62.2 -37.1 9.8 9.5 29.3 131 140 A L H >< S+ 0 0 8 -4,-2.1 3,-1.8 2,-0.2 4,-0.3 0.920 108.9 58.3 -72.9 -45.2 11.5 8.4 32.5 132 141 A K H 3< S+ 0 0 129 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.879 119.5 29.4 -51.5 -44.4 8.3 8.6 34.5 133 142 A Y T 3X S+ 0 0 19 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.002 81.3 128.9-107.8 27.6 6.6 6.1 32.2 134 143 A F T <4 S+ 0 0 28 -3,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.918 78.3 41.3 -46.6 -56.0 9.7 4.1 31.2 135 144 A G T >> S+ 0 0 35 -4,-0.3 3,-1.2 -3,-0.2 4,-0.7 0.925 115.4 49.1 -61.6 -47.6 8.1 0.8 32.0 136 145 A D G >4 S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.935 105.7 56.3 -59.5 -47.5 4.7 1.6 30.6 137 146 A F G 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.601 100.7 61.9 -62.7 -9.3 6.0 2.8 27.3 138 147 A E G <4 S+ 0 0 93 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.737 88.7 89.3 -84.5 -27.8 7.8 -0.5 26.9 139 148 A K S << S- 0 0 103 -3,-1.7 2,-0.1 -4,-0.7 -3,-0.0 -0.410 76.6-125.3 -75.5 147.5 4.5 -2.4 26.9 140 149 A R - 0 0 145 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.436 20.4-120.8 -84.4 163.2 2.5 -3.1 23.7 141 150 A I E -A 179 0A 0 38,-3.0 38,-2.6 -2,-0.1 40,-0.1 -0.936 22.0-131.6-111.8 116.3 -1.1 -2.1 23.2 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.341 21.3-121.0 -61.1 144.0 -3.6 -5.0 22.5 143 152 A R H 3> S+ 0 0 60 34,-2.4 4,-2.1 1,-0.3 5,-0.1 0.846 113.6 62.4 -58.0 -31.6 -5.8 -4.2 19.5 144 153 A E H 3> S+ 0 0 136 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.892 106.1 44.9 -60.6 -38.6 -8.8 -4.6 21.9 145 154 A E H <> S+ 0 0 28 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.853 107.9 57.6 -72.4 -34.1 -7.5 -1.6 23.9 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.876 104.6 53.4 -62.9 -34.9 -6.8 0.3 20.7 147 156 A L H X S+ 0 0 56 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 109.3 46.4 -65.4 -45.4 -10.5 -0.1 19.9 148 157 A Q H X S+ 0 0 77 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.868 113.4 50.1 -64.2 -37.9 -11.6 1.4 23.2 149 158 A M H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.889 109.4 51.2 -67.7 -39.1 -9.0 4.2 22.8 150 159 A Q H X S+ 0 0 48 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.923 107.7 53.6 -62.2 -45.2 -10.4 4.9 19.3 151 160 A D H X S+ 0 0 93 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.928 110.7 45.8 -55.1 -51.0 -13.9 5.1 20.6 152 161 A I H X S+ 0 0 39 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.955 114.5 46.4 -58.5 -55.7 -13.0 7.6 23.2 153 162 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.922 115.3 44.5 -56.6 -50.8 -11.0 9.9 20.9 154 163 A L H X S+ 0 0 61 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 116.4 46.9 -63.4 -39.8 -13.5 9.9 18.1 155 164 A N H X S+ 0 0 70 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.878 114.4 45.8 -70.4 -37.1 -16.5 10.5 20.4 156 165 A E H X S+ 0 0 21 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.883 112.8 51.0 -72.4 -37.5 -14.7 13.3 22.4 157 166 A V H >X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 3,-0.7 0.927 108.3 52.3 -63.0 -44.6 -13.6 14.9 19.1 158 167 A K H 3< S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 105.1 56.8 -58.6 -39.1 -17.2 14.7 17.8 159 168 A K H 3< S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.790 106.2 49.4 -63.7 -30.1 -18.3 16.5 21.0 160 169 A V H << S- 0 0 39 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.924 138.1 -16.1 -74.9 -46.6 -16.0 19.4 20.4 161 170 A D >< - 0 0 39 -4,-1.9 3,-2.1 3,-0.0 -1,-0.3 -0.823 55.1-144.4-162.4 117.6 -17.1 20.0 16.8 162 171 A S T 3 S+ 0 0 99 1,-0.3 -4,-0.1 -2,-0.3 -3,-0.1 0.558 98.3 67.8 -63.0 -7.8 -19.0 17.4 14.7 163 172 A E T 3 S+ 0 0 110 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.524 77.4 102.1 -90.5 -5.6 -17.1 18.6 11.7 164 173 A Y < - 0 0 12 -3,-2.1 2,-0.4 -7,-0.2 24,-0.2 -0.465 57.1-159.5 -73.2 149.1 -13.8 17.2 13.0 165 174 A I E -B 187 0B 75 22,-2.1 22,-1.9 -2,-0.1 2,-0.5 -0.961 6.7-170.8-133.5 114.3 -12.7 13.9 11.5 166 175 A A E -B 186 0B 12 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.919 2.1-171.8-108.9 131.4 -10.2 11.9 13.5 167 176 A T E -B 185 0B 27 18,-2.9 18,-3.6 -2,-0.5 2,-0.6 -0.987 18.8-137.8-125.0 130.0 -8.6 8.8 11.9 168 177 A V E +B 184 0B 6 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.770 36.9 163.9 -88.1 121.2 -6.4 6.3 13.8 169 178 A C >> + 0 0 1 14,-3.2 4,-1.2 -2,-0.6 3,-0.9 0.106 26.9 73.1-111.6-137.3 -3.4 5.4 11.6 170 179 A G H >> S- 0 0 6 93,-2.3 4,-1.2 1,-0.2 3,-0.5 -0.123 114.0 -22.3 57.8-156.6 -0.1 3.8 12.2 171 180 A S H 34>S+ 0 0 18 1,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.765 135.5 64.4 -56.8 -29.0 0.1 0.0 12.8 172 181 A F H X45S+ 0 0 15 -3,-0.9 3,-2.1 1,-0.2 -1,-0.2 0.954 102.3 47.1 -61.4 -49.2 -3.6 0.1 13.9 173 182 A R H <<5S+ 0 0 71 -4,-1.2 -1,-0.2 -3,-0.5 149,-0.2 0.788 106.4 59.6 -62.7 -26.9 -4.7 1.1 10.4 174 183 A R T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 147,-0.2 -2,-0.2 0.414 121.5-111.0 -81.1 2.1 -2.5 -1.6 9.0 175 184 A G T < 5 + 0 0 40 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.653 55.3 168.3 79.9 18.2 -4.5 -4.1 11.0 176 185 A A < - 0 0 28 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.319 38.6-137.0 -64.5 145.2 -1.9 -5.1 13.6 177 186 A E S S+ 0 0 152 1,-0.2 -34,-2.4 -35,-0.1 2,-0.3 0.559 91.5 25.1 -79.2 -8.9 -3.1 -7.1 16.6 178 187 A S E S-A 142 0A 41 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.979 72.1-158.5-152.7 145.1 -0.9 -5.0 18.9 179 188 A S E -A 141 0A 0 -38,-2.6 -38,-3.0 -2,-0.3 3,-0.1 -0.900 22.6-140.0-126.2 155.1 0.5 -1.4 18.6 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.743 85.8 -24.1 -81.9 -24.0 3.3 0.5 20.2 181 190 A D S S- 0 0 39 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.913 73.7 -84.7-165.2-172.6 1.2 3.6 20.5 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.2 -2,-0.3 2,-0.5 -0.960 30.5-165.8-116.6 130.5 -1.8 5.5 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-3.2 -14,-0.4 2,-0.5 -0.961 6.8-170.7-118.6 116.6 -1.5 7.7 16.0 184 193 A V E -Bc 168 248B 2 63,-3.0 65,-2.8 -2,-0.5 2,-0.5 -0.924 9.4-159.5-113.4 124.9 -4.4 10.1 15.3 185 194 A L E -Bc 167 249B 0 -18,-3.6 -18,-2.9 -2,-0.5 2,-0.4 -0.867 17.7-162.5 -98.8 133.9 -4.8 12.1 12.1 186 195 A L E +Bc 166 250B 1 63,-3.4 65,-2.2 -2,-0.5 2,-0.3 -0.962 12.8 175.5-125.1 135.3 -7.1 15.1 12.5 187 196 A T E -B 165 0B 2 -22,-1.9 -22,-2.1 -2,-0.4 5,-0.1 -0.942 6.4-178.5-133.3 156.0 -8.9 17.3 10.0 188 197 A H > - 0 0 0 3,-0.4 3,-2.1 63,-0.3 65,-0.5 -0.956 35.5-123.0-151.9 133.1 -11.4 20.1 10.1 189 198 A P T 3 S+ 0 0 46 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.759 108.2 63.8 -48.8 -28.1 -13.0 22.0 7.2 190 199 A S T 3 S+ 0 0 19 1,-0.1 7,-2.2 6,-0.1 2,-0.7 0.761 94.2 66.1 -70.0 -25.0 -11.7 25.3 8.5 191 200 A F B < +F 196 0C 29 -3,-2.1 62,-2.4 5,-0.2 -3,-0.4 -0.877 64.9 142.4-106.1 110.3 -8.0 24.3 8.1 192 201 A T - 0 0 34 3,-2.6 -2,-0.0 -2,-0.7 -5,-0.0 -0.813 66.9 -97.3-133.9 174.6 -6.9 23.8 4.5 193 202 A S S S+ 0 0 73 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.726 124.9 54.4 -66.3 -19.3 -3.8 24.5 2.4 194 203 A E S S- 0 0 158 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.889 122.0 -15.1 -82.1 -43.8 -5.6 27.7 1.4 195 204 A S - 0 0 36 -5,-0.1 -3,-2.6 3,-0.0 2,-0.6 -0.997 43.3-132.1-160.9 161.4 -6.5 29.1 4.8 196 205 A T B +F 191 0C 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.834 30.0 171.2-117.5 86.4 -6.7 28.7 8.5 197 206 A K + 0 0 162 -7,-2.2 -6,-0.1 -2,-0.6 -1,-0.1 0.554 66.3 42.7 -75.0 -10.3 -10.2 30.1 9.2 198 207 A Q S S- 0 0 76 -8,-0.2 3,-0.4 -3,-0.1 -1,-0.1 -0.986 71.9-150.3-142.9 129.7 -10.2 28.9 12.9 199 208 A P S S+ 0 0 95 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.306 76.0 34.2 -87.8 174.9 -7.4 28.9 15.5 200 209 A K > + 0 0 135 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 0.691 69.5 142.9 53.5 22.0 -6.8 26.5 18.4 201 210 A L H > S+ 0 0 5 -3,-0.4 4,-0.9 1,-0.2 -1,-0.1 0.902 78.1 34.3 -58.7 -41.7 -8.2 23.6 16.3 202 211 A L H > S+ 0 0 4 21,-0.4 4,-2.4 2,-0.2 5,-0.2 0.910 116.8 55.3 -78.6 -43.0 -5.7 21.2 17.7 203 212 A H H > S+ 0 0 67 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.924 102.4 56.4 -53.6 -51.3 -5.7 22.8 21.2 204 213 A Q H X S+ 0 0 74 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.886 111.0 43.6 -48.2 -49.3 -9.4 22.5 21.6 205 214 A V H X S+ 0 0 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3 S+ 0 0 158 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.278 122.7 2.2 -58.4 138.6 -13.9 -0.3 40.2 237 246 A D T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.591 104.6 134.4 60.0 10.2 -11.3 -2.4 42.1 238 247 A E < - 0 0 83 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.1 -0.718 63.4-112.3 -94.9 139.6 -9.6 -2.8 38.7 239 248 A K - 0 0 183 -2,-0.3 -4,-0.2 -3,-0.1 -1,-0.1 -0.359 44.8-101.2 -63.2 146.4 -5.9 -2.4 38.2 240 249 A E - 0 0 124 -6,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.361 31.9-113.6 -72.2 151.4 -5.1 0.7 36.1 241 250 A Y - 0 0 53 -9,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.477 41.4 -96.1 -77.3 156.6 -4.2 0.4 32.4 242 251 A P - 0 0 27 0, 0.0 -10,-0.4 0, 0.0 2,-0.2 -0.361 42.7-102.7 -70.3 154.6 -0.6 1.3 31.5 243 252 A H - 0 0 27 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.547 43.3-153.2 -76.6 147.8 -0.0 4.8 30.2 244 253 A R E - E 0 230B 13 -14,-3.4 -14,-2.7 -2,-0.2 2,-0.3 -0.906 15.5-113.1-127.2 153.2 0.3 5.1 26.4 245 254 A R E - E 0 229B 31 -65,-0.4 -63,-2.1 -2,-0.3 2,-0.4 -0.617 34.7-175.0 -80.9 138.4 2.0 7.3 23.9 246 255 A I E -cE 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