==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-JAN-08 3C2K . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,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) . 17615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.2 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 . 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 . 126 38.7 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 2 1 0 3 0 1 0 1 2 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 . 1 2 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 . 3 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,-3.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 63.3 9.2 -15.7 12.0 2 11 A L T 3 + 0 0 101 1,-0.3 3,-0.2 36,-0.1 36,-0.1 0.751 360.0 18.2 -30.9 -49.8 11.1 -17.7 9.3 3 12 A N T 3> S+ 0 0 15 1,-0.1 4,-2.3 35,-0.1 -1,-0.3 -0.160 79.7 137.5-123.4 40.1 14.3 -15.7 9.7 4 13 A G H <> S+ 0 0 15 -3,-3.1 4,-1.8 1,-0.2 5,-0.2 0.841 71.4 58.3 -53.0 -37.0 13.7 -14.2 13.1 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.953 109.9 40.8 -59.5 -52.5 17.3 -14.9 14.1 6 15 A I H > S+ 0 0 4 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.884 113.0 52.2 -65.9 -42.3 18.8 -12.9 11.3 7 16 A T H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.853 109.4 51.4 -66.6 -29.7 16.4 -10.0 11.4 8 17 A D H X S+ 0 0 103 -4,-1.8 4,-3.1 -5,-0.3 5,-0.2 0.925 108.1 51.0 -69.5 -44.5 17.1 -9.6 15.1 9 18 A M H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.958 114.3 45.0 -55.2 -50.9 20.9 -9.6 14.6 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.922 112.3 49.6 -59.5 -49.5 20.4 -6.9 11.9 11 20 A T H X S+ 0 0 63 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.917 111.6 50.1 -59.2 -40.3 18.0 -4.8 14.0 12 21 A E H X S+ 0 0 65 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.915 111.7 48.7 -63.0 -41.8 20.5 -5.1 16.9 13 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.899 110.7 50.4 -64.0 -40.8 23.2 -3.9 14.6 14 23 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.953 110.0 49.7 -62.5 -49.9 21.1 -1.0 13.3 15 24 A N H X S+ 0 0 66 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.861 110.8 52.4 -56.3 -36.1 20.3 0.1 16.9 16 25 A F H X>S+ 0 0 22 -4,-1.8 4,-2.1 -5,-0.2 5,-1.8 0.952 109.0 46.4 -67.1 -50.6 24.1 -0.0 17.6 17 26 A E H <>S+ 0 0 8 -4,-2.5 6,-2.9 3,-0.2 5,-0.7 0.870 118.6 44.8 -60.1 -35.8 25.1 2.1 14.7 18 27 A K H <5S+ 0 0 77 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.978 123.3 29.0 -73.5 -56.1 22.4 4.6 15.5 19 28 A N H <5S+ 0 0 14 -4,-2.9 -3,-0.2 -5,-0.2 84,-0.2 0.900 136.3 22.6 -74.5 -42.2 22.7 4.9 19.3 20 29 A V T <5S+ 0 0 12 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.893 132.1 34.3 -93.3 -47.0 26.5 4.2 19.8 21 30 A S T - 0 0 29 -6,-2.9 4,-1.9 1,-0.1 3,-0.4 -0.758 27.2-178.8-116.2 77.3 26.1 6.5 12.0 24 33 A I H > S+ 0 0 81 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.767 75.8 53.3 -51.6 -35.9 22.6 7.1 10.7 25 34 A H H > S+ 0 0 154 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.928 107.5 49.4 -69.6 -44.8 23.1 5.6 7.3 26 35 A K H > S+ 0 0 115 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.901 109.9 56.0 -58.5 -37.7 24.4 2.3 8.6 27 36 A Y H X S+ 0 0 32 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.959 110.0 41.9 -57.8 -54.4 21.4 2.4 10.8 28 37 A N H X S+ 0 0 41 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.870 110.2 59.0 -63.0 -37.2 19.0 2.7 7.9 29 38 A A H X S+ 0 0 50 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.946 108.7 43.7 -58.0 -49.8 20.9 0.1 5.8 30 39 A Y H X S+ 0 0 24 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.919 112.2 52.9 -63.3 -42.3 20.5 -2.5 8.5 31 40 A R H X S+ 0 0 64 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 111.0 47.3 -58.9 -42.7 16.8 -1.7 8.9 32 41 A K H X S+ 0 0 109 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.956 112.6 47.8 -63.3 -51.5 16.2 -2.0 5.2 33 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 22,-0.3 -2,-0.2 0.886 112.3 50.1 -56.8 -41.8 18.0 -5.3 4.9 34 43 A A H X S+ 0 0 7 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.872 111.0 51.1 -65.2 -35.5 16.1 -6.6 8.0 35 44 A S H X S+ 0 0 13 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.949 110.0 46.3 -66.9 -50.3 12.9 -5.5 6.3 36 45 A V H X S+ 0 0 18 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.883 114.9 48.5 -61.5 -37.8 13.5 -7.2 2.9 37 46 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.911 102.4 61.6 -67.8 -44.1 14.5 -10.4 4.7 38 47 A A H 3< S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.0 41.4 -54.9 -28.3 11.5 -10.4 7.0 39 48 A K H 3< S+ 0 0 128 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.539 84.0 113.0 -97.8 -8.7 9.2 -10.6 3.9 40 49 A Y << - 0 0 45 -3,-1.3 4,-0.1 -4,-0.5 -37,-0.1 -0.540 64.4-145.1 -65.1 115.1 11.4 -13.2 2.1 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.236 70.7 78.0 -70.3 13.1 9.1 -16.3 2.1 42 51 A H S S- 0 0 103 -39,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.887 86.5-111.7-123.5 156.2 12.0 -18.8 2.5 43 52 A K - 0 0 153 -2,-0.3 2,-0.1 1,-0.0 -40,-0.1 -0.775 45.8-121.3 -85.3 109.5 14.2 -19.9 5.3 44 53 A I - 0 0 4 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.312 29.1-174.1 -57.0 124.0 17.5 -18.4 4.3 45 54 A K + 0 0 182 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.478 63.3 2.9 -98.0 -5.9 20.2 -21.1 4.0 46 55 A S > - 0 0 36 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.982 66.7-106.0-173.1 162.3 23.1 -18.7 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 15,-0.1 0.766 117.9 56.0 -66.2 -25.8 24.6 -15.3 3.1 48 57 A A H > S+ 0 0 67 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.942 106.1 48.6 -71.2 -47.6 24.8 -15.7 -0.7 49 58 A E H >4 S+ 0 0 41 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.873 114.4 48.1 -58.2 -38.6 21.1 -16.5 -1.0 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.9 1,-0.2 6,-0.3 0.906 100.4 63.3 -70.0 -42.6 20.4 -13.5 1.1 51 60 A K H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 4,-0.2 0.678 88.5 72.5 -57.5 -16.6 22.7 -11.2 -0.9 52 61 A K T << S+ 0 0 179 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.683 81.5 88.9 -71.2 -16.7 20.4 -11.8 -3.8 53 62 A L S X S- 0 0 22 -3,-2.9 3,-2.0 -4,-0.2 2,-0.4 -0.664 95.3-107.3 -83.6 135.3 17.9 -9.6 -2.0 54 63 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.456 107.2 32.4 -63.6 118.5 18.2 -5.9 -2.8 55 64 A G T 3 S+ 0 0 41 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.093 92.1 100.1 122.7 -24.5 19.7 -4.3 0.3 56 65 A V < + 0 0 8 -3,-2.0 -1,-0.3 -6,-0.3 2,-0.1 -0.864 52.3 178.8 -97.4 123.4 21.9 -7.1 1.5 57 66 A G > - 0 0 32 -2,-0.6 4,-1.4 -3,-0.1 5,-0.1 -0.138 46.3 -75.8-106.6-157.6 25.5 -6.6 0.6 58 67 A T H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 126.9 51.3 -70.4 -39.1 28.8 -8.4 1.0 59 68 A K H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 113.7 42.1 -66.4 -42.2 29.2 -7.3 4.6 60 69 A I H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.797 109.6 61.0 -75.1 -27.3 25.7 -8.5 5.7 61 70 A A H X S+ 0 0 10 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.938 107.1 44.0 -62.7 -47.3 26.3 -11.6 3.7 62 71 A E H X S+ 0 0 110 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.932 111.9 51.8 -65.2 -46.0 29.3 -12.5 5.8 63 72 A K H X S+ 0 0 30 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.900 110.3 50.8 -57.6 -40.0 27.6 -11.7 9.1 64 73 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.902 109.4 49.1 -65.7 -41.5 24.7 -13.9 8.0 65 74 A D H X S+ 0 0 77 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.952 112.9 48.4 -62.4 -46.4 27.0 -16.8 7.2 66 75 A E H X S+ 0 0 37 -4,-2.9 4,-1.2 1,-0.2 6,-0.5 0.912 112.3 49.0 -58.8 -44.1 28.7 -16.4 10.6 67 76 A F H >X S+ 0 0 41 -4,-2.7 4,-3.5 -5,-0.2 3,-0.6 0.941 112.4 46.4 -62.1 -48.8 25.3 -16.2 12.3 68 77 A L H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.8 55.2 -63.3 -31.9 24.0 -19.4 10.6 69 78 A A H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.727 131.5 6.4 -74.6 -23.6 27.2 -21.2 11.3 70 79 A T H << S- 0 0 93 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.423 92.7-115.1-139.9 -2.2 27.2 -20.6 15.1 71 80 A G S < S+ 0 0 47 -4,-3.5 2,-0.3 -5,-0.3 -4,-0.2 0.619 90.4 75.9 73.0 12.1 23.9 -19.0 16.0 72 81 A K - 0 0 119 -6,-0.5 2,-0.5 -5,-0.3 -2,-0.3 -0.963 69.9-135.1-149.9 165.4 25.8 -15.9 17.1 73 82 A L >> - 0 0 6 -2,-0.3 4,-2.1 1,-0.1 3,-1.0 -0.964 10.6-152.8-129.0 113.2 27.7 -12.9 15.8 74 83 A R H 3> S+ 0 0 179 -2,-0.5 4,-2.3 1,-0.3 5,-0.3 0.877 95.2 58.9 -49.2 -48.2 31.1 -12.0 17.4 75 84 A K H 3> S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.863 112.2 41.7 -53.8 -35.5 30.8 -8.3 16.7 76 85 A L H <> S+ 0 0 4 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.833 108.0 58.4 -81.1 -34.2 27.6 -8.3 18.7 77 86 A E H < S+ 0 0 81 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.870 112.4 43.1 -61.8 -35.3 28.9 -10.5 21.5 78 87 A K H >X S+ 0 0 155 -4,-2.3 3,-2.3 2,-0.2 4,-0.8 0.941 108.5 55.5 -75.0 -50.1 31.6 -8.0 22.1 79 88 A I H >< S+ 0 0 19 -4,-1.8 3,-1.0 1,-0.3 -2,-0.2 0.864 105.2 56.1 -50.5 -36.6 29.4 -4.9 21.8 80 89 A R T 3< S+ 0 0 117 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.717 104.7 52.5 -69.1 -20.9 27.3 -6.5 24.5 81 90 A Q T <4 S+ 0 0 155 -3,-2.3 2,-0.9 -4,-0.4 -1,-0.2 0.504 85.5 96.4 -92.3 -7.2 30.4 -6.7 26.8 82 91 A D S+ 0 0 124 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.908 90.2 54.1 -48.2 -50.5 29.8 -1.2 29.3 84 93 A T H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 111.7 43.5 -52.0 -51.9 29.8 2.2 27.5 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.839 113.4 52.4 -63.9 -34.4 27.8 0.8 24.6 86 95 A S H X S+ 0 0 51 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.917 111.7 46.1 -67.5 -41.7 25.5 -1.0 26.9 87 96 A S H X S+ 0 0 15 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.912 113.1 48.1 -66.1 -46.7 24.8 2.1 28.8 88 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.926 112.4 49.5 -61.5 -45.3 24.3 4.3 25.8 89 98 A N H < S+ 0 0 42 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.931 113.7 47.0 -59.5 -47.1 21.9 1.8 24.2 90 99 A F H >< S+ 0 0 48 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.902 110.2 50.6 -62.8 -44.3 20.0 1.5 27.4 91 100 A L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.862 102.4 61.2 -64.8 -33.5 19.7 5.3 28.0 92 101 A T T 3< S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.641 87.6 75.9 -66.6 -13.4 18.4 5.8 24.5 93 102 A R T < S+ 0 0 127 -3,-1.3 2,-0.5 -4,-0.4 -1,-0.3 0.650 77.5 88.8 -73.0 -12.8 15.5 3.6 25.4 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.4 -4,-0.2 37,-0.1 -0.750 92.4-112.0 -88.1 127.4 14.0 6.5 27.3 95 104 A S T 3 S+ 0 0 32 -2,-0.5 35,-0.3 1,-0.3 36,-0.2 -0.324 105.2 27.0 -55.4 134.6 11.8 8.8 25.2 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.163 97.9 101.0 97.4 -21.0 13.6 12.1 24.9 97 106 A I < + 0 0 8 -3,-2.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.888 50.2 177.7-102.7 118.5 17.1 10.7 25.3 98 107 A G > - 0 0 29 -2,-0.7 4,-2.2 -3,-0.1 5,-0.2 -0.367 50.6 -79.8-105.5-171.3 18.9 10.3 22.0 99 108 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.923 129.5 50.9 -54.9 -44.5 22.4 9.1 21.1 100 109 A S H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.953 112.4 41.1 -58.3 -59.1 23.8 12.6 22.0 101 110 A A H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.841 114.8 54.7 -61.6 -34.2 22.2 13.0 25.5 102 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.971 108.5 45.2 -65.4 -52.8 22.9 9.4 26.3 103 112 A R H X S+ 0 0 88 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.866 114.5 52.9 -59.2 -33.6 26.7 9.6 25.6 104 113 A K H >X S+ 0 0 124 -4,-2.0 4,-1.7 -5,-0.2 3,-0.9 0.993 109.1 45.5 -65.4 -59.8 26.6 12.9 27.5 105 114 A F H 3<>S+ 0 0 8 -4,-3.0 5,-2.6 1,-0.3 -2,-0.2 0.870 109.6 56.1 -50.4 -42.6 24.9 11.4 30.6 106 115 A V H ><5S+ 0 0 14 -4,-2.8 3,-1.1 1,-0.3 -1,-0.3 0.883 107.4 50.2 -58.3 -37.1 27.3 8.5 30.5 107 116 A D H <<5S+ 0 0 131 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.815 108.9 50.8 -69.0 -33.8 30.1 11.0 30.7 108 117 A E T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.274 126.7 -99.9 -88.0 9.7 28.6 12.7 33.6 109 118 A G T < 5S+ 0 0 48 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.405 84.6 125.9 90.6 -2.6 28.2 9.4 35.4 110 119 A I < + 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.814 17.4 131.2 -93.9 111.0 24.5 8.7 34.7 111 120 A K + 0 0 71 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.236 50.5 64.4-147.1 19.5 24.1 5.3 33.1 112 121 A T S > S- 0 0 46 1,-0.1 4,-2.1 -22,-0.1 5,-0.2 -0.952 83.5-109.2-141.3 160.5 21.4 3.4 34.9 113 122 A L H > S+ 0 0 28 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.864 124.1 50.4 -56.1 -35.0 17.6 3.7 35.5 114 123 A E H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.925 104.7 54.7 -69.3 -46.5 18.5 4.5 39.1 115 124 A D H > S+ 0 0 41 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.885 110.7 48.2 -55.0 -38.6 21.1 7.2 38.1 116 125 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.891 104.2 58.5 -70.7 -39.1 18.4 8.9 36.1 117 126 A R H 3< S+ 0 0 150 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.751 109.5 44.7 -64.0 -23.1 15.8 8.7 38.8 118 127 A K H 3< S+ 0 0 156 -4,-1.3 -1,-0.3 -3,-0.3 3,-0.2 0.561 113.4 50.0 -96.4 -8.8 18.1 10.7 41.1 119 128 A N X< + 0 0 30 -3,-0.9 3,-3.7 -4,-0.6 4,-0.3 0.015 62.0 132.5-117.5 28.3 19.1 13.3 38.5 120 129 A E G > + 0 0 74 -3,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.768 67.7 69.4 -48.9 -27.1 15.6 14.2 37.3 121 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.622 94.4 55.0 -68.8 -13.3 16.8 17.8 37.6 122 131 A K G < S+ 0 0 100 -3,-3.7 2,-0.3 -6,-0.2 -1,-0.3 0.376 93.3 88.3-101.4 3.7 19.1 17.2 34.7 123 132 A L S < S- 0 0 17 -3,-1.5 2,-0.1 -4,-0.3 -26,-0.0 -0.746 74.5-126.0-102.5 148.6 16.4 16.1 32.3 124 133 A N > - 0 0 85 -2,-0.3 4,-2.4 -28,-0.1 5,-0.2 -0.434 43.2 -89.7 -83.4 168.3 14.3 18.3 30.0 125 134 A H H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.867 126.7 47.8 -43.5 -51.1 10.5 18.0 30.3 126 135 A H H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.938 110.7 49.6 -58.5 -52.2 10.3 15.3 27.6 127 136 A Q H > S+ 0 0 14 -31,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.860 109.1 55.6 -56.9 -36.9 13.1 13.1 29.1 128 137 A R H X S+ 0 0 107 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.908 109.6 43.7 -62.3 -46.3 11.3 13.5 32.5 129 138 A I H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.919 113.2 51.9 -67.2 -43.1 8.0 12.1 31.2 130 139 A G H X S+ 0 0 0 -4,-2.8 4,-0.7 -35,-0.3 -2,-0.2 0.928 112.6 45.8 -58.5 -43.6 9.8 9.4 29.3 131 140 A L H >< S+ 0 0 7 -4,-2.6 3,-1.3 -5,-0.2 4,-0.3 0.962 109.4 55.6 -63.3 -48.3 11.6 8.4 32.5 132 141 A K H 3< S+ 0 0 130 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 121.0 29.3 -50.8 -39.7 8.4 8.6 34.5 133 142 A Y H 3X S+ 0 0 17 -4,-2.1 4,-2.5 1,-0.1 5,-0.3 0.283 81.2 124.5-107.8 10.4 6.7 6.1 32.1 134 143 A F H > S+ 0 0 37 -4,-0.3 3,-1.8 1,-0.2 4,-0.8 0.934 113.4 50.0 -53.2 -54.6 8.2 0.8 32.1 136 145 A D H >4 S+ 0 0 40 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.874 104.7 57.8 -53.3 -44.0 4.7 1.4 30.7 137 146 A F H 3< S+ 0 0 46 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.597 98.1 63.3 -65.6 -11.5 6.0 2.5 27.3 138 147 A E H << S+ 0 0 98 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.814 86.3 86.9 -81.1 -32.9 7.7 -0.9 27.0 139 148 A K S << S- 0 0 111 -3,-1.0 2,-0.1 -4,-0.8 0, 0.0 -0.433 78.6-129.4 -70.3 140.9 4.4 -2.7 27.1 140 149 A R - 0 0 140 -2,-0.1 40,-0.2 104,-0.1 -1,-0.1 -0.373 19.2-115.5 -83.1 166.1 2.6 -3.2 23.8 141 150 A I E -A 179 0A 1 38,-2.8 38,-2.4 -2,-0.1 40,-0.1 -0.919 22.4-132.8-110.3 120.0 -1.0 -2.3 23.2 142 151 A P E >> -A 178 0A 58 0, 0.0 4,-1.8 0, 0.0 3,-1.7 -0.436 21.5-121.6 -67.0 142.5 -3.5 -5.1 22.4 143 152 A R H 3> S+ 0 0 61 34,-2.6 4,-2.6 1,-0.3 5,-0.2 0.895 113.3 61.1 -52.1 -42.4 -5.7 -4.3 19.5 144 153 A E H 3> S+ 0 0 142 33,-0.3 4,-1.2 1,-0.3 -1,-0.3 0.815 106.7 47.4 -54.5 -30.3 -8.8 -4.7 21.7 145 154 A E H <> S+ 0 0 30 -3,-1.7 4,-2.2 2,-0.2 -1,-0.3 0.854 106.7 55.6 -78.8 -35.7 -7.4 -1.9 23.8 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.886 106.3 53.1 -61.9 -38.2 -6.7 0.2 20.7 147 156 A L H X S+ 0 0 74 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.878 107.7 49.1 -66.4 -37.8 -10.4 -0.2 19.8 148 157 A Q H X S+ 0 0 60 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.2 0.877 113.2 48.8 -66.9 -37.8 -11.5 1.0 23.3 149 158 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.883 106.0 56.7 -68.6 -39.5 -9.1 4.0 22.8 150 159 A Q H X S+ 0 0 50 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.933 105.6 50.4 -58.2 -49.1 -10.4 4.8 19.3 151 160 A D H X S+ 0 0 100 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.891 111.8 48.2 -58.3 -41.5 -14.0 5.1 20.6 152 161 A I H X S+ 0 0 41 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.919 115.1 43.7 -66.3 -44.1 -12.9 7.5 23.4 153 162 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.944 116.9 45.3 -67.5 -48.4 -10.8 9.7 21.1 154 163 A L H X S+ 0 0 55 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.904 116.4 45.2 -62.5 -43.1 -13.4 9.8 18.3 155 164 A N H X S+ 0 0 68 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.859 113.7 48.7 -70.2 -35.0 -16.3 10.5 20.6 156 165 A E H X S+ 0 0 20 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.792 110.6 53.9 -73.3 -27.1 -14.5 13.1 22.6 157 166 A V H >X S+ 0 0 3 -4,-1.7 3,-2.1 2,-0.2 4,-1.8 0.979 106.3 49.3 -68.1 -56.3 -13.5 14.7 19.3 158 167 A K H 3< S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.813 104.3 62.1 -51.9 -35.0 -17.1 15.0 18.0 159 168 A K H 3< S+ 0 0 137 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.737 104.9 46.0 -66.8 -23.0 -18.0 16.6 21.3 160 169 A V H << S- 0 0 47 -3,-2.1 2,-0.2 -4,-0.6 -2,-0.2 0.873 140.6 -13.7 -84.4 -40.7 -15.7 19.5 20.7 161 170 A D >< - 0 0 38 -4,-1.8 3,-2.5 3,-0.0 -1,-0.3 -0.775 55.0-142.1-165.8 116.4 -16.9 19.9 17.1 162 171 A S T 3 S+ 0 0 97 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.453 100.1 65.1 -58.8 -0.5 -19.0 17.5 15.0 163 172 A E T 3 S+ 0 0 112 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.467 74.4 103.7-104.6 -2.8 -16.9 18.5 12.0 164 173 A Y < - 0 0 15 -3,-2.5 2,-0.5 -7,-0.2 24,-0.2 -0.486 58.5-152.9 -73.6 150.5 -13.6 17.1 13.2 165 174 A I E -B 187 0B 71 22,-2.4 22,-1.3 -2,-0.1 2,-0.6 -0.942 10.0-168.2-128.6 107.3 -12.6 13.9 11.5 166 175 A A E -B 186 0B 12 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.879 5.5-175.5-101.1 121.1 -10.3 11.8 13.7 167 176 A T E -B 185 0B 26 18,-3.1 18,-3.5 -2,-0.6 2,-0.6 -0.969 19.0-141.7-119.9 126.8 -8.6 8.8 12.0 168 177 A V E +B 184 0B 5 -2,-0.5 16,-0.2 16,-0.2 2,-0.0 -0.752 37.1 154.9 -85.8 123.3 -6.5 6.3 13.8 169 178 A C >> + 0 0 0 14,-2.5 4,-1.2 -2,-0.6 3,-0.9 0.151 22.9 86.8-117.6-126.8 -3.6 5.3 11.6 170 179 A G H >> S- 0 0 4 93,-1.7 4,-1.0 1,-0.2 3,-0.9 -0.099 113.1 -28.9 55.2-160.7 -0.1 4.0 12.4 171 180 A S H 34>S+ 0 0 18 1,-0.3 5,-2.1 2,-0.2 4,-0.4 0.717 135.4 70.5 -58.4 -22.2 0.2 0.2 12.7 172 181 A F H X45S+ 0 0 14 -3,-0.9 3,-1.4 1,-0.2 -1,-0.3 0.950 100.9 43.9 -60.2 -47.5 -3.4 0.1 13.9 173 182 A R H <<5S+ 0 0 63 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.737 106.7 61.2 -69.7 -22.8 -4.6 1.0 10.4 174 183 A R T 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.535 122.6-107.5 -80.6 -4.7 -2.2 -1.5 8.9 175 184 A G T < 5 + 0 0 35 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.502 55.5 169.8 95.4 4.5 -4.0 -4.1 10.9 176 185 A A < - 0 0 27 -5,-2.1 -1,-0.2 1,-0.2 3,-0.1 -0.151 35.3-143.5 -51.3 138.8 -1.6 -5.0 13.7 177 186 A E S S+ 0 0 149 1,-0.2 -34,-2.6 -35,-0.1 2,-0.3 0.611 92.5 26.2 -78.7 -12.6 -3.0 -7.2 16.5 178 187 A S E S-A 142 0A 38 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.986 74.0-158.4-150.7 141.0 -0.8 -5.1 18.7 179 188 A S E -A 141 0A 0 -38,-2.4 -38,-2.8 -2,-0.3 3,-0.1 -0.903 22.8-140.2-123.1 150.4 0.6 -1.5 18.5 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.701 87.2 -23.6 -77.5 -20.0 3.5 0.3 20.1 181 190 A D S S- 0 0 30 -40,-0.1 2,-0.5 63,-0.1 -9,-0.2 -0.947 73.3 -87.4-169.8-176.7 1.3 3.4 20.5 182 191 A M E - c 0 246B 0 63,-1.8 65,-2.2 -2,-0.3 2,-0.5 -0.955 32.0-164.6-114.6 126.7 -1.8 5.2 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.5 -14,-0.3 2,-0.5 -0.941 5.2-165.3-113.7 126.0 -1.5 7.6 16.2 184 193 A V E -Bc 168 248B 2 63,-3.2 65,-2.9 -2,-0.5 2,-0.5 -0.931 9.1-159.6-116.9 129.0 -4.3 10.0 15.4 185 194 A L E -Bc 167 249B 0 -18,-3.5 -18,-3.1 -2,-0.5 2,-0.4 -0.892 19.1-164.4-101.9 128.0 -4.8 12.0 12.2 186 195 A L E +Bc 166 250B 1 63,-3.0 65,-2.4 -2,-0.5 2,-0.4 -0.942 12.5 176.3-122.1 137.9 -7.0 15.0 12.7 187 196 A T E +B 165 0B 3 -22,-1.3 -22,-2.4 -2,-0.4 5,-0.1 -0.998 4.1 179.7-138.8 142.9 -8.8 17.2 10.2 188 197 A H > - 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