==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-AUG-09 3ISD . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.A.BEARD,D.D.SHOCK,V.K.BATRA,L.C.PEDERSEN,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.6 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 . 27 8.3 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 . 2 0.6 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 . 10 3.1 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 . 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 2 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 . 1 2 1 0 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 0 176 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 46.6 4.6 -17.0 31.0 2 11 A L T 3 + 0 0 84 1,-0.3 3,-0.2 38,-0.2 36,-0.1 0.833 360.0 31.0 -64.1 -32.2 7.1 -19.0 29.1 3 12 A N T 3> S+ 0 0 7 37,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.243 77.4 132.8-120.9 43.0 9.6 -16.2 29.9 4 13 A G H <> S+ 0 0 19 -3,-1.2 4,-1.8 1,-0.2 5,-0.2 0.800 72.3 55.9 -64.1 -31.0 8.3 -15.0 33.3 5 14 A G H > S+ 0 0 35 -4,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.928 112.0 42.9 -67.2 -42.4 11.8 -15.1 34.8 6 15 A I H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.911 115.4 46.4 -69.6 -45.2 13.1 -12.8 32.1 7 16 A T H X S+ 0 0 26 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.834 108.2 57.0 -69.0 -32.7 10.2 -10.4 32.0 8 17 A D H X S+ 0 0 115 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.885 109.7 46.4 -62.8 -40.0 10.1 -10.1 35.8 9 18 A M H X S+ 0 0 7 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.833 110.1 51.5 -70.4 -38.1 13.7 -9.0 35.7 10 19 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.765 111.4 50.0 -71.6 -26.1 13.2 -6.5 32.9 11 20 A T H X S+ 0 0 59 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.927 110.0 46.6 -78.4 -46.4 10.3 -5.0 34.9 12 21 A E H X S+ 0 0 60 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.867 115.0 49.6 -63.1 -34.9 12.2 -4.6 38.2 13 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.895 109.8 52.1 -67.0 -40.2 15.0 -3.1 36.1 14 23 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.936 108.5 49.2 -60.8 -50.3 12.5 -0.8 34.5 15 24 A N H X S+ 0 0 54 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.779 108.1 54.7 -63.0 -28.9 11.1 0.4 37.8 16 25 A F H X>S+ 0 0 23 -4,-1.3 4,-1.8 -5,-0.2 5,-1.7 0.949 107.8 48.1 -70.0 -46.9 14.6 1.1 39.1 17 26 A E H <5S+ 0 0 9 -4,-2.1 6,-3.9 3,-0.2 10,-0.2 0.763 117.1 46.7 -64.3 -21.7 15.4 3.3 36.1 18 27 A K H <5S+ 0 0 62 -4,-1.3 -2,-0.2 4,-0.2 -1,-0.2 0.936 122.9 26.7 -85.4 -51.6 12.1 5.0 36.7 19 28 A N H <5S+ 0 0 11 -4,-2.8 -3,-0.2 3,-0.1 84,-0.2 0.931 135.7 24.1 -78.5 -48.9 12.1 5.6 40.5 20 29 A V T <5S+ 0 0 12 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.967 130.0 35.3 -82.9 -62.4 15.8 5.9 41.2 21 30 A S S > + 0 0 26 -6,-3.9 4,-2.2 1,-0.2 3,-0.8 -0.716 24.1 176.4-111.7 77.2 15.4 7.8 33.5 24 33 A I H 3> S+ 0 0 87 -2,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.756 77.6 52.9 -54.4 -30.0 11.9 7.5 32.0 25 34 A H H 3> S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.824 107.9 47.6 -80.3 -30.2 13.2 6.5 28.6 26 35 A K H <> S+ 0 0 120 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.856 110.3 56.5 -73.2 -33.1 15.3 3.6 29.9 27 36 A Y H X S+ 0 0 32 -4,-2.2 4,-1.8 -10,-0.2 -2,-0.2 0.946 109.2 44.7 -57.9 -50.6 12.2 2.7 31.8 28 37 A N H X S+ 0 0 41 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.939 108.3 56.7 -60.5 -48.6 10.2 2.5 28.6 29 38 A A H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.873 109.0 47.7 -51.8 -40.4 13.0 0.6 26.8 30 39 A Y H X S+ 0 0 23 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.853 112.5 46.8 -71.2 -36.5 12.8 -2.1 29.5 31 40 A R H X S+ 0 0 65 -4,-1.8 4,-1.5 -3,-0.2 -2,-0.2 0.841 112.4 51.7 -74.0 -31.7 9.0 -2.4 29.4 32 41 A K H X S+ 0 0 108 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.941 110.1 47.8 -67.3 -49.0 9.1 -2.5 25.6 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 22,-0.3 -2,-0.2 0.839 114.3 47.3 -61.8 -33.1 11.7 -5.3 25.7 34 43 A A H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.765 109.1 56.0 -78.1 -26.1 9.5 -7.2 28.2 35 44 A S H X S+ 0 0 10 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.854 109.5 43.2 -73.9 -38.1 6.4 -6.6 26.1 36 45 A V H < S+ 0 0 33 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.871 115.0 49.8 -76.8 -36.2 7.8 -8.2 23.0 37 46 A I H >< S+ 0 0 0 -4,-1.4 3,-1.8 -5,-0.2 -2,-0.2 0.883 104.8 57.5 -67.9 -38.9 9.3 -11.1 24.9 38 47 A A H 3< S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 108.5 48.4 -62.1 -23.1 6.0 -11.7 26.7 39 48 A K T 3< S+ 0 0 125 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.396 86.9 108.5 -95.6 0.4 4.5 -12.1 23.2 40 49 A Y < - 0 0 44 -3,-1.8 -38,-0.2 1,-0.1 -37,-0.1 -0.706 61.0-152.5 -82.7 122.5 7.2 -14.5 22.2 41 50 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.342 69.0 71.3 -77.0 4.9 5.8 -18.0 21.9 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.914 88.9-106.4-123.0 151.3 9.0 -19.9 22.7 43 52 A K - 0 0 123 -2,-0.3 2,-0.3 1,-0.1 -40,-0.1 -0.651 44.6-120.0 -74.0 121.0 10.9 -20.4 25.9 44 53 A I - 0 0 3 -2,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.476 32.4-178.4 -65.7 123.2 14.0 -18.2 25.4 45 54 A K + 0 0 171 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.474 65.2 6.0-103.1 -5.8 17.1 -20.4 25.6 46 55 A S S > S- 0 0 40 1,-0.1 4,-1.4 22,-0.0 3,-0.4 -0.957 70.7-111.0-170.0 156.4 19.7 -17.6 25.1 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.872 114.6 61.7 -62.8 -38.4 20.0 -13.9 24.8 48 57 A A H > S+ 0 0 69 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.888 103.6 51.4 -56.3 -36.8 21.0 -14.1 21.2 49 58 A E H >4 S+ 0 0 32 -3,-0.4 3,-0.6 1,-0.2 -1,-0.3 0.916 113.6 43.8 -64.0 -42.6 17.6 -15.7 20.6 50 59 A A H >< S+ 0 0 0 -4,-1.4 3,-2.3 1,-0.2 6,-0.3 0.883 102.5 67.2 -68.9 -39.8 16.0 -12.7 22.5 51 60 A K H 3< S+ 0 0 96 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.725 85.9 71.2 -53.9 -25.5 18.2 -10.2 20.7 52 61 A K T << S+ 0 0 172 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.781 84.8 87.7 -62.5 -27.4 16.4 -11.1 17.4 53 62 A L S X S- 0 0 29 -3,-2.3 3,-1.8 -4,-0.3 2,-0.5 -0.534 89.9-109.4 -80.1 139.5 13.3 -9.3 18.8 54 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.527 108.4 31.6 -69.8 116.0 12.8 -5.5 18.4 55 64 A G T 3 S+ 0 0 31 -2,-0.5 2,-0.8 -4,-0.2 -22,-0.3 -0.058 97.7 96.2 124.1 -27.9 13.3 -3.8 21.7 56 65 A V < + 0 0 4 -3,-1.8 -1,-0.1 -6,-0.3 -26,-0.0 -0.829 54.2 166.3 -98.1 104.9 15.8 -6.4 22.9 57 66 A G > - 0 0 30 -2,-0.8 4,-1.8 -3,-0.1 5,-0.1 -0.021 49.2 -69.3 -99.4-155.3 19.3 -5.0 22.3 58 67 A T H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.988 124.4 48.0 -62.9 -66.8 22.9 -5.8 23.3 59 68 A K H > S+ 0 0 134 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.820 116.6 45.5 -47.2 -38.5 22.9 -4.9 27.0 60 69 A I H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.864 106.3 58.0 -77.5 -34.4 19.6 -6.8 27.5 61 70 A A H X S+ 0 0 12 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.928 109.4 47.3 -58.6 -41.9 20.8 -9.8 25.6 62 71 A E H X S+ 0 0 114 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.883 108.7 52.4 -66.7 -42.2 23.7 -10.1 28.0 63 72 A K H X S+ 0 0 26 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.891 110.3 50.0 -62.3 -37.5 21.5 -9.7 31.1 64 73 A I H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.936 107.6 53.0 -66.6 -44.9 19.4 -12.5 29.8 65 74 A D H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.923 112.1 46.1 -56.0 -42.7 22.4 -14.7 29.2 66 75 A E H X S+ 0 0 36 -4,-2.4 4,-4.1 2,-0.2 5,-0.5 0.937 113.0 48.8 -65.5 -47.3 23.5 -14.0 32.8 67 76 A F H X S+ 0 0 48 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.929 111.7 49.4 -58.6 -46.3 20.0 -14.7 34.2 68 77 A L H < S+ 0 0 70 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.9 38.3 -61.7 -36.5 19.7 -17.9 32.2 69 78 A A H < S+ 0 0 86 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.925 129.0 27.9 -81.0 -45.5 23.1 -19.0 33.5 70 79 A T H < S- 0 0 72 -4,-4.1 -3,-0.2 2,-0.3 -2,-0.2 0.609 92.1-127.0 -94.7 -14.6 23.0 -17.8 37.1 71 80 A G S < S+ 0 0 57 -4,-2.6 2,-0.2 -5,-0.5 -4,-0.2 0.413 87.2 44.5 82.2 -5.6 19.3 -17.8 37.9 72 81 A K S S- 0 0 85 -6,-0.4 2,-0.4 -5,-0.1 -2,-0.3 -0.862 81.2-111.2-152.6-175.5 19.7 -14.2 39.0 73 82 A L >> - 0 0 4 -2,-0.2 4,-1.2 1,-0.1 3,-0.9 -0.960 10.1-154.9-134.4 117.2 21.2 -10.8 38.1 74 83 A R H >> S+ 0 0 139 -2,-0.4 4,-2.6 1,-0.3 3,-1.0 0.909 95.6 60.4 -53.7 -47.9 24.0 -9.2 40.0 75 84 A K H 3> S+ 0 0 83 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.836 108.8 46.0 -51.5 -33.7 23.1 -5.7 39.0 76 85 A L H <> S+ 0 0 5 -3,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.728 106.3 57.8 -81.7 -23.7 19.8 -6.3 40.7 77 86 A E H X S+ 0 0 131 -4,-2.6 4,-2.7 1,-0.2 3,-0.8 0.935 110.1 53.3 -56.0 -50.6 23.3 -4.6 44.3 79 88 A I H 3< S+ 0 0 14 -4,-1.7 7,-0.4 1,-0.3 -1,-0.2 0.878 110.1 46.6 -54.0 -43.5 20.2 -2.5 43.7 80 89 A R H 3< S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.706 116.2 46.4 -73.3 -20.3 18.2 -4.4 46.4 81 90 A Q H << S+ 0 0 145 -4,-1.3 2,-0.3 -3,-0.8 -2,-0.2 0.766 87.8 95.9 -91.2 -30.1 21.1 -4.1 48.8 82 91 A D X - 0 0 75 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 -0.476 69.0-147.3 -64.0 122.6 21.9 -0.4 48.2 83 92 A D H > S+ 0 0 91 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.863 92.6 49.0 -62.6 -39.1 20.1 1.5 51.0 84 93 A T H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.979 112.8 44.7 -65.7 -56.6 19.4 4.5 48.9 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 114.6 49.7 -52.8 -50.2 17.9 2.8 45.8 86 95 A S H X S+ 0 0 42 -4,-2.2 4,-1.8 -7,-0.4 -1,-0.2 0.817 111.4 48.1 -61.3 -34.8 15.8 0.4 48.0 87 96 A S H X S+ 0 0 10 -4,-1.6 4,-2.6 -3,-0.3 -1,-0.2 0.926 113.9 45.3 -72.5 -45.7 14.3 3.2 50.1 88 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 112.5 52.5 -62.6 -43.7 13.4 5.4 47.1 89 98 A N H < S+ 0 0 40 -4,-2.9 4,-0.4 -5,-0.3 -1,-0.2 0.911 111.9 46.6 -57.2 -45.4 12.0 2.3 45.3 90 99 A F H >< S+ 0 0 48 -4,-1.8 3,-1.5 -5,-0.2 4,-0.2 0.916 108.3 54.0 -65.1 -46.2 9.9 1.6 48.3 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.3 6,-0.2 0.864 98.3 62.8 -58.1 -39.9 8.6 5.2 48.8 92 101 A T T 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.691 86.6 75.4 -62.0 -14.7 7.3 5.5 45.3 93 102 A R T < S+ 0 0 123 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.3 0.698 80.7 85.2 -69.0 -16.8 4.9 2.6 46.2 94 103 A V S X S- 0 0 0 -3,-2.4 3,-2.0 -4,-0.2 2,-0.3 -0.762 92.1-118.0 -87.6 126.3 3.0 5.3 48.1 95 104 A S T 3 S+ 0 0 34 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.466 101.8 33.2 -65.0 124.9 0.6 7.1 45.8 96 105 A G T 3 S+ 0 0 28 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.094 99.1 94.4 114.3 -21.0 1.5 10.8 45.7 97 106 A I < + 0 0 6 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.921 50.7 170.4-109.4 113.1 5.2 10.1 46.1 98 107 A G > - 0 0 31 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.328 54.1 -70.1-103.6-169.5 7.0 9.9 42.8 99 108 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.856 127.8 48.0 -50.6 -47.6 10.8 9.7 42.1 100 109 A S H > S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.932 115.2 40.5 -65.0 -51.8 11.6 13.3 43.1 101 110 A A H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.859 115.1 53.3 -67.5 -36.5 9.8 13.4 46.5 102 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 109.7 47.9 -62.8 -47.0 10.9 9.9 47.3 103 112 A R H X S+ 0 0 71 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.803 112.9 49.9 -63.8 -30.1 14.5 10.8 46.7 104 113 A K H X S+ 0 0 117 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.946 107.6 50.8 -75.5 -48.3 14.1 14.0 48.8 105 114 A F H ><>S+ 0 0 14 -4,-2.8 5,-3.0 1,-0.2 3,-1.0 0.925 110.8 52.5 -52.8 -43.4 12.6 12.2 51.8 106 115 A V H ><5S+ 0 0 12 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.877 100.7 58.0 -62.4 -39.1 15.5 9.8 51.6 107 116 A D H 3<5S+ 0 0 116 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.6 48.6 -63.0 -19.7 18.1 12.5 51.7 108 117 A E T <<5S- 0 0 96 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.201 126.0-101.4-102.9 11.6 16.5 13.6 55.0 109 118 A G T < 5S+ 0 0 46 -3,-2.1 2,-0.8 1,-0.3 -3,-0.2 0.646 81.6 132.2 79.3 12.4 16.5 10.1 56.4 110 119 A I < + 0 0 4 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.886 18.0 130.3 -98.2 110.8 12.8 9.5 55.7 111 120 A K + 0 0 60 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.339 48.2 61.8-146.7 9.4 12.7 6.0 54.0 112 121 A T S >> S- 0 0 43 -3,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.956 83.6-106.1-139.6 159.7 10.1 3.8 55.6 113 122 A L H 3> S+ 0 0 32 -2,-0.3 4,-1.7 1,-0.3 3,-0.4 0.890 122.2 54.6 -46.9 -42.5 6.3 3.7 56.2 114 123 A E H 3> S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.888 102.1 54.7 -60.7 -44.0 7.1 4.6 59.8 115 124 A D H <> S+ 0 0 34 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4,-1.6 2,-0.2 5,-0.2 0.875 125.1 49.2 -56.9 -42.4 -3.1 15.7 51.1 126 135 A H H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.946 111.8 48.4 -64.3 -48.2 -2.6 13.3 48.2 127 136 A Q H > S+ 0 0 14 1,-0.2 4,-2.4 -31,-0.2 -2,-0.2 0.856 107.7 55.4 -62.3 -35.6 0.3 11.6 49.9 128 137 A R H X S+ 0 0 103 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.874 109.0 47.1 -64.5 -38.5 -1.5 11.3 53.2 129 138 A I H X S+ 0 0 14 -4,-1.6 4,-1.2 -3,-0.2 -1,-0.2 0.852 110.0 55.8 -69.0 -35.5 -4.3 9.5 51.5 130 139 A G H < S+ 0 0 1 -4,-2.0 3,-0.4 -35,-0.4 -35,-0.2 0.924 109.4 43.8 -62.3 -45.5 -1.7 7.3 49.8 131 140 A L H >< S+ 0 0 7 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.860 108.7 59.3 -68.6 -35.0 -0.1 6.3 53.2 132 141 A K H 3< S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 118.7 29.1 -65.1 -26.7 -3.6 5.7 54.6 133 142 A Y T 3X S+ 0 0 9 -4,-1.2 4,-3.2 -3,-0.4 5,-0.3 0.033 78.8 128.4-121.6 25.2 -4.4 3.1 52.0 134 143 A F H <> S+ 0 0 23 -3,-1.1 4,-0.8 1,-0.2 -2,-0.1 0.878 82.4 39.3 -48.9 -43.8 -0.8 1.8 51.3 135 144 A G H 4 S+ 0 0 44 -4,-0.3 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0 23 -3,-2.5 4,-2.9 2,-0.2 -1,-0.3 0.829 107.6 60.9 -87.7 -35.7 -15.9 -6.8 42.3 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.843 105.4 52.4 -58.0 -32.9 -15.1 -4.7 39.2 147 156 A L H X S+ 0 0 71 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.914 108.9 46.2 -70.3 -44.7 -18.5 -5.9 38.0 148 157 A Q H X S+ 0 0 66 -4,-0.9 4,-1.8 -5,-0.2 -2,-0.2 0.883 113.6 50.6 -65.3 -36.5 -20.3 -4.8 41.2 149 158 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.877 106.3 56.0 -67.5 -37.4 -18.5 -1.5 41.0 150 159 A Q H X S+ 0 0 45 -4,-1.9 4,-3.3 -5,-0.2 5,-0.3 0.947 107.5 47.8 -60.6 -49.4 -19.5 -1.0 37.4 151 160 A D H X S+ 0 0 103 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.914 111.0 50.5 -60.5 -42.6 -23.2 -1.4 38.3 152 161 A I H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.897 115.6 42.5 -62.1 -41.0 -23.0 1.1 41.2 153 162 A V H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.920 116.8 46.0 -73.3 -44.7 -21.3 3.7 39.0 154 163 A L H X S+ 0 0 62 -4,-3.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 115.2 47.8 -64.2 -44.0 -23.5 3.1 36.0 155 164 A N H X S+ 0 0 81 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.948 112.3 47.2 -60.1 -52.8 -26.6 3.2 38.1 156 165 A E H X S+ 0 0 16 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.831 111.6 52.5 -59.3 -34.1 -25.7 6.4 40.1 157 166 A V H >X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 3,-0.7 0.914 108.9 48.3 -69.5 -42.6 -24.8 8.1 36.8 158 167 A K H 3< S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.846 105.2 60.4 -66.8 -31.9 -28.1 7.3 35.2 159 168 A K H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 106.2 47.9 -64.7 -27.2 -29.8 8.5 38.4 160 169 A V H << S- 0 0 39 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.932 136.8 -14.0 -78.8 -51.6 -28.2 12.0 37.8 161 170 A D >< - 0 0 59 -4,-1.9 3,-1.8 1,-0.0 -1,-0.3 -0.897 55.8-140.5-156.0 124.5 -29.1 12.3 34.1 162 171 A S T 3 S+ 0 0 86 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.677 101.2 62.5 -59.6 -18.7 -30.4 9.5 31.8 163 172 A E T 3 S+ 0 0 103 -5,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.604 78.0 106.6 -85.8 -10.3 -28.3 10.9 29.0 164 173 A Y < - 0 0 15 -3,-1.8 2,-0.3 -7,-0.3 24,-0.2 -0.240 54.3-158.9 -61.3 157.5 -24.9 10.4 30.8 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175 184 A G T < 5 + 0 0 36 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.740 54.4 169.3 70.2 25.6 -11.4 -8.5 30.1 176 185 A A < - 0 0 30 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.355 40.5-131.9 -69.4 149.0 -8.7 -9.0 32.8 177 186 A E S S+ 0 0 155 1,-0.2 -34,-3.3 -35,-0.1 2,-0.3 0.810 91.2 16.1 -71.9 -30.3 -9.6 -11.2 35.7 178 187 A S E S-A 142 0A 38 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.984 74.8-146.9-142.0 153.1 -8.3 -8.6 38.2 179 188 A S E -A 141 0A 0 -38,-2.9 -38,-3.0 -2,-0.3 3,-0.1 -0.894 20.7-139.8-127.0 154.6 -7.5 -4.9 37.9 180 189 A G S S- 0 0 38 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.935 87.7 -26.3 -69.9 -47.6 -5.2 -2.3 39.3 181 190 A D S S- 0 0 37 63,-0.1 2,-0.5 -40,-0.1 65,-0.2 -0.708 71.8 -91.2-145.9-164.9 -7.9 0.3 39.6 182 191 A M E - c 0 246B 0 63,-1.9 65,-2.5 -2,-0.2 2,-0.5 -0.988 33.1-167.1-125.7 120.6 -11.2 1.3 38.0 183 192 A D E - c 0 247B 34 -2,-0.5 -14,-2.9 -14,-0.4 2,-0.5 -0.930 4.7-169.2-111.2 123.7 -11.2 3.7 35.1 184 193 A V E -Bc 168 248B 5 63,-3.1 65,-2.1 -2,-0.5 2,-0.4 -0.945 9.7-155.0-120.0 129.3 -14.4 5.3 34.0 185 194 A L E -Bc 167 249B 0 -18,-2.3 -18,-2.9 -2,-0.5 2,-0.4 -0.848 18.2-164.9-100.4 134.4 -15.0 7.3 30.8 186 195 A L E + c 0 250B 1 63,-2.6 65,-2.7 -2,-0.4 2,-0.3 -0.937 13.3 169.9-126.8 144.6 -17.9 9.8 30.8 187 196 A T - 0 0 1 -22,-0.4 -22,-1.5 -2,-0.4 5,-0.1 -0.976 8.6-170.9-146.8 157.4 -19.8 11.7 28.2 188 197 A H > - 0 0 22 3,-0.4 3,-1.7 63,-0.3 65,-0.5 -0.988 33.6-120.0-148.6 147.1 -22.9 13.8 28.0 189 198 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 64,-0.1 0.879 110.0 61.5 -56.9 -38.0 -24.8 15.3 25.1 190 199 A S T 3 S+ 0 0 40 1,-0.1 2,-0.4 -3,-0.1 11,-0.0 0.343 95.9 72.2 -73.0 8.4 -24.3 18.9 26.3 191 200 A F < + 0 0 29 -3,-1.7 62,-2.7 60,-0.1 -3,-0.4 -0.889 56.4 137.2-132.8 105.6 -20.5 18.5 26.0 192 201 A T S S- 0 0 47 -2,-0.4 5,-0.3 60,-0.3 4,-0.1 -0.710 73.8 -70.5-130.5-177.7 -18.7 18.4 22.7 193 202 A S S S+ 0 0 87 -2,-0.2 3,-0.0 2,-0.1 -2,-0.0 0.645 130.6 17.4 -52.1 -14.2 -15.5 19.9 21.2 194 203 A E > + 0 0 68 1,-0.0 3,-1.5 2,-0.0 0, 0.0 0.409 69.6 124.1-118.6-103.7 -17.4 23.2 21.3 195 204 A S T 3 S- 0 0 45 1,-0.3 -2,-0.1 -4,-0.1 -1,-0.0 0.396 88.6-101.7 53.4 -1.2 -20.6 23.7 23.5 196 205 A T T 3 S- 0 0 142 -4,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.831 74.1 -72.7 55.8 32.1 -19.0 26.7 25.2 197 206 A K < - 0 0 116 -3,-1.5 -6,-0.1 -5,-0.3 -2,-0.1 0.546 44.5-123.1 60.9 148.0 -18.3 24.3 28.1 198 207 A Q > - 0 0 82 25,-0.1 3,-0.7 0, 0.0 2,-0.4 -0.994 25.0-132.1-125.3 122.1 -20.8 22.9 30.6 199 208 A P T 3 S+ 0 0 66 0, 0.0 24,-0.0 0, 0.0 -2,-0.0 -0.629 79.0 2.4 -81.8 126.0 -20.1 23.5 34.3 200 209 A K T 3> S+ 0 0 128 -2,-0.4 4,-2.0 3,-0.1 5,-0.2 0.743 75.6 134.1 76.8 27.4 -20.2 20.6 36.8 201 210 A L H <> S+ 0 0 9 -3,-0.7 4,-1.1 2,-0.2 5,-0.1 0.968 88.2 33.3 -67.3 -48.8 -21.0 17.7 34.4 202 211 A L H > S+ 0 0 0 21,-0.5 4,-2.7 2,-0.2 5,-0.3 0.852 115.0 61.1 -72.4 -36.9 -18.3 15.7 36.2 203 212 A H H > S+ 0 0 48 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.975 101.5 50.0 -54.1 -61.8 -19.0 17.4 39.5 204 213 A Q H X S+ 0 0 88 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.866 113.8 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