==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-FEB-12 4DOC . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.5 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.0 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 2 1 1 1 2 3 0 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 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 0 182 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -5.5 9.7 -15.4 12.9 2 11 A L T 3 + 0 0 93 1,-0.3 3,-0.1 36,-0.2 42,-0.1 0.868 360.0 15.1 -56.6 -42.2 10.8 -17.5 9.9 3 12 A N T 3> S+ 0 0 15 35,-0.1 4,-2.4 40,-0.1 3,-0.4 -0.173 90.2 139.7-120.4 38.8 14.2 -15.8 10.0 4 13 A G H <> + 0 0 18 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.798 65.7 54.2 -56.1 -38.8 13.8 -14.3 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.924 112.4 44.0 -63.9 -44.4 17.3 -14.9 14.7 6 15 A I H > S+ 0 0 5 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.913 114.7 47.9 -66.5 -45.8 18.8 -13.1 11.7 7 16 A T H X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.902 110.0 52.5 -65.6 -40.4 16.4 -10.2 11.8 8 17 A D H X S+ 0 0 111 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.9 50.2 -57.1 -44.2 16.9 -9.7 15.6 9 18 A M H X S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.907 110.6 47.9 -61.6 -45.5 20.7 -9.6 15.0 10 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.882 111.9 50.7 -65.1 -37.0 20.4 -7.0 12.3 11 20 A T H X S+ 0 0 62 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 109.7 49.5 -68.3 -39.3 18.1 -4.9 14.5 12 21 A E H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 112.9 47.9 -65.2 -43.2 20.5 -5.1 17.5 13 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 110.6 52.2 -59.8 -42.7 23.2 -4.0 15.1 14 23 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 109.5 49.0 -59.6 -44.5 21.0 -1.2 13.8 15 24 A N H X S+ 0 0 65 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.909 108.5 53.3 -64.5 -39.7 20.4 0.0 17.3 16 25 A F H X>S+ 0 0 24 -4,-2.2 4,-2.5 1,-0.2 5,-1.8 0.935 110.4 47.4 -56.9 -49.7 24.1 -0.0 18.1 17 26 A E H <>S+ 0 0 6 -4,-2.1 6,-2.9 3,-0.2 5,-0.5 0.900 117.2 42.0 -62.7 -42.8 24.9 2.1 15.1 18 27 A K H <5S+ 0 0 64 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.934 125.4 31.7 -67.2 -47.9 22.1 4.6 15.8 19 28 A N H <5S+ 0 0 15 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.895 133.7 20.5 -85.7 -42.6 22.6 4.9 19.6 20 29 A V T <5S+ 0 0 11 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.909 131.7 35.1 -96.4 -55.0 26.3 4.4 20.2 21 30 A S T > + 0 0 27 -6,-2.9 4,-2.0 1,-0.1 3,-0.6 -0.756 25.0 179.2-115.6 81.2 25.8 6.5 12.4 24 33 A I H 3> S+ 0 0 83 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.784 77.7 53.3 -58.9 -31.0 22.2 7.0 11.1 25 34 A H H 3> S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 109.5 47.1 -78.2 -33.3 22.9 5.6 7.6 26 35 A K H <> S+ 0 0 117 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.831 110.4 55.4 -66.5 -36.8 24.4 2.4 8.9 27 36 A Y H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.953 111.1 43.2 -60.8 -49.1 21.3 2.3 11.2 28 37 A N H X S+ 0 0 34 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.838 110.1 57.0 -64.8 -36.0 19.1 2.6 8.2 29 38 A A H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 110.2 43.8 -62.4 -47.4 21.2 0.0 6.2 30 39 A Y H X S+ 0 0 22 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 113.3 51.2 -63.5 -42.8 20.7 -2.6 8.9 31 40 A R H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.879 109.7 51.2 -60.1 -39.7 17.0 -1.8 9.3 32 41 A K H X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.927 111.2 46.8 -63.9 -44.9 16.5 -2.1 5.5 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 22,-0.3 5,-0.2 0.926 111.9 50.3 -64.7 -44.8 18.2 -5.5 5.5 34 43 A A H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.905 111.0 50.8 -56.9 -43.3 16.2 -6.8 8.4 35 44 A S H X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.928 111.4 44.8 -64.5 -46.8 13.0 -5.6 6.7 36 45 A V H X S+ 0 0 16 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.852 115.7 48.4 -69.1 -32.0 13.7 -7.4 3.4 37 46 A I H < S+ 0 0 0 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.857 105.6 59.3 -72.2 -35.1 14.8 -10.5 5.2 38 47 A A H < S+ 0 0 70 -4,-2.4 -36,-0.2 1,-0.2 -2,-0.2 0.831 110.1 41.4 -63.2 -33.3 11.7 -10.4 7.4 39 48 A K H < S+ 0 0 126 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.602 85.3 113.6 -92.6 -11.3 9.4 -10.7 4.4 40 49 A Y < - 0 0 46 -4,-0.7 4,-0.1 -3,-0.4 -37,-0.1 -0.434 64.2-142.7 -62.7 126.7 11.4 -13.3 2.5 41 50 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.224 71.3 74.1 -87.7 17.3 9.3 -16.4 2.5 42 51 A H S S- 0 0 105 -39,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.945 86.9-108.8-126.9 146.3 12.0 -19.0 2.9 43 52 A K - 0 0 132 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.654 47.9-118.5 -68.4 117.1 14.1 -20.0 5.9 44 53 A I - 0 0 5 -2,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.402 33.4-178.9 -69.3 128.5 17.5 -18.6 5.0 45 54 A K + 0 0 146 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.577 62.3 9.8-103.4 -13.1 20.3 -21.3 4.6 46 55 A S > - 0 0 38 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.991 65.2-114.3-159.7 162.1 23.3 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.857 116.6 58.0 -65.0 -37.5 24.7 -15.6 3.5 48 57 A A H > S+ 0 0 68 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.936 105.5 49.1 -59.3 -46.3 25.0 -16.0 -0.2 49 58 A E H >4 S+ 0 0 41 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.933 112.8 48.1 -55.9 -47.4 21.2 -16.7 -0.4 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.3 6,-0.2 0.865 100.7 64.7 -61.4 -38.8 20.6 -13.6 1.7 51 60 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.684 87.3 71.9 -63.6 -16.6 22.9 -11.4 -0.4 52 61 A K T << S+ 0 0 178 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.754 83.6 86.0 -67.5 -22.8 20.5 -12.0 -3.3 53 62 A L S X S- 0 0 29 -3,-2.2 3,-1.9 -4,-0.3 2,-0.2 -0.607 93.2-105.7 -84.0 139.0 18.0 -9.7 -1.6 54 63 A P T 3 S+ 0 0 101 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.431 107.8 31.1 -63.1 126.1 18.3 -5.9 -2.2 55 64 A G T 3 S+ 0 0 34 1,-0.2 2,-0.7 -2,-0.2 -22,-0.3 0.080 96.0 100.2 109.5 -21.8 19.8 -4.2 0.9 56 65 A V < + 0 0 8 -3,-1.9 -1,-0.2 -6,-0.2 2,-0.1 -0.887 50.5 166.2 -98.4 114.6 21.9 -7.2 1.9 57 66 A G > - 0 0 31 -2,-0.7 4,-2.0 -3,-0.1 5,-0.1 -0.215 51.3 -66.6-109.8-156.4 25.5 -6.8 0.8 58 67 A T H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.875 125.3 47.8 -67.6 -42.4 28.8 -8.4 1.5 59 68 A K H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 114.0 45.4 -71.5 -40.8 29.2 -7.5 5.2 60 69 A I H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.893 109.8 57.3 -69.6 -36.8 25.7 -8.6 6.2 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.894 107.1 47.8 -58.3 -41.6 26.2 -11.8 4.2 62 71 A E H X S+ 0 0 117 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.917 110.7 51.8 -64.9 -40.6 29.3 -12.6 6.3 63 72 A K H X S+ 0 0 23 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.903 108.1 51.3 -63.9 -41.9 27.4 -11.9 9.5 64 73 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.911 109.0 51.3 -60.6 -42.6 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 75 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 112.0 46.6 -60.1 -46.3 27.1 -16.9 7.8 66 75 A E H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 6,-0.5 0.958 114.1 48.3 -57.9 -49.4 28.6 -16.5 11.2 67 76 A F H X S+ 0 0 44 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.862 111.5 49.2 -61.3 -38.4 25.2 -16.4 12.8 68 77 A L H < S+ 0 0 73 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.869 115.4 44.0 -70.9 -37.9 24.0 -19.5 11.0 69 78 A A H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.942 130.8 19.4 -68.3 -48.9 27.1 -21.5 11.9 70 79 A T H < S- 0 0 82 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.591 94.2-119.2-105.7 -15.1 27.4 -20.5 15.6 71 80 A G S < S+ 0 0 52 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.502 88.0 45.4 84.8 4.7 24.0 -19.2 16.7 72 81 A K S S- 0 0 89 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.946 77.4-109.4-163.7-179.0 25.5 -15.8 17.5 73 82 A L > - 0 0 4 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.988 9.2-152.5-132.7 122.4 27.7 -12.9 16.5 74 83 A R H > S+ 0 0 172 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.875 98.3 58.8 -59.0 -40.9 31.1 -12.1 18.1 75 84 A K H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 112.1 41.1 -55.2 -43.5 30.8 -8.4 17.2 76 85 A L H > S+ 0 0 4 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.876 109.2 57.9 -72.5 -39.1 27.5 -8.3 19.2 77 86 A E H X S+ 0 0 71 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.931 110.8 44.5 -58.6 -43.6 28.8 -10.4 22.1 78 87 A K H X S+ 0 0 166 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.889 110.1 54.7 -64.3 -42.4 31.6 -7.9 22.6 79 88 A I H >< S+ 0 0 17 -4,-1.7 3,-0.9 -5,-0.2 7,-0.3 0.926 106.7 51.6 -58.3 -44.1 29.2 -4.9 22.2 80 89 A R H 3< S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.9 50.9 -62.4 -33.7 27.0 -6.4 25.0 81 90 A Q H 3< S+ 0 0 146 -4,-1.3 2,-0.7 -5,-0.2 -1,-0.3 0.635 86.4 99.2 -81.4 -13.7 30.0 -6.7 27.3 82 91 A D S+ 0 0 124 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.890 90.0 50.1 -60.8 -41.4 29.7 -1.1 29.7 84 93 A T H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 113.9 44.6 -66.7 -41.4 29.7 2.2 27.9 85 94 A S H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 114.6 50.2 -66.3 -41.7 27.8 0.8 24.9 86 95 A S H X S+ 0 0 44 -4,-2.7 4,-2.1 -7,-0.3 -2,-0.2 0.888 111.2 49.0 -60.2 -43.4 25.4 -1.0 27.2 87 96 A S H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 112.0 46.4 -67.6 -45.4 24.8 2.2 29.2 88 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 111.6 52.8 -62.7 -43.0 24.1 4.4 26.2 89 98 A N H < S+ 0 0 42 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.908 110.4 47.9 -59.8 -43.4 21.8 1.8 24.7 90 99 A F H >< S+ 0 0 47 -4,-2.1 3,-2.1 1,-0.2 4,-0.3 0.961 109.9 51.0 -60.2 -52.3 19.8 1.6 28.0 91 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 6,-0.2 0.844 100.6 62.3 -58.3 -37.1 19.4 5.4 28.4 92 101 A T T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.569 87.9 74.8 -67.8 -7.6 18.1 5.8 24.8 93 102 A R T < S+ 0 0 122 -3,-2.1 2,-0.4 -4,-0.3 -1,-0.3 0.671 77.1 88.7 -78.4 -17.6 15.2 3.7 25.8 94 103 A V S X S- 0 0 3 -3,-2.0 3,-2.0 -4,-0.3 2,-0.2 -0.703 93.6-111.6 -76.7 127.4 13.8 6.6 27.8 95 104 A S T 3 S+ 0 0 34 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.416 104.9 25.8 -60.8 128.5 11.6 8.8 25.5 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.074 98.0 100.1 101.8 -25.2 13.3 12.1 25.0 97 106 A I < + 0 0 5 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.870 51.0 172.1 -94.4 112.0 16.8 10.7 25.6 98 107 A G > - 0 0 28 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.369 51.3 -71.7-102.1-167.6 18.5 10.1 22.2 99 108 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.868 128.7 46.5 -53.2 -47.6 22.1 9.2 21.3 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.958 115.4 42.6 -65.0 -53.6 23.6 12.6 22.2 101 110 A A H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.890 112.5 56.5 -60.7 -36.9 21.9 13.1 25.6 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.943 109.6 43.4 -61.1 -47.6 22.6 9.4 26.5 103 112 A R H X S+ 0 0 83 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.874 113.7 52.7 -67.7 -36.5 26.3 9.7 25.9 104 113 A K H X S+ 0 0 123 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.929 109.1 48.8 -61.7 -47.7 26.3 13.1 27.8 105 114 A F H <>S+ 0 0 11 -4,-3.1 5,-2.7 2,-0.2 3,-0.5 0.932 109.7 52.1 -57.6 -47.5 24.5 11.5 30.8 106 115 A V H ><5S+ 0 0 14 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.927 106.1 54.4 -56.7 -45.6 27.1 8.6 30.8 107 116 A D H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.7 51.1 -51.5 -37.5 29.9 11.2 30.8 108 117 A E T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.344 124.8-102.9 -86.0 4.9 28.3 12.8 33.9 109 118 A G T < 5S+ 0 0 44 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.729 82.2 130.5 78.5 23.7 28.1 9.4 35.7 110 119 A I < + 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.923 16.2 131.2-111.4 108.4 24.3 9.0 35.0 111 120 A K + 0 0 79 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.402 49.9 56.8-144.7 0.7 23.8 5.5 33.6 112 121 A T S > S- 0 0 64 1,-0.1 4,-2.4 -22,-0.1 5,-0.2 -0.879 82.8-105.0-132.9 168.6 20.9 3.6 35.3 113 122 A L H > S+ 0 0 40 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 123.2 53.5 -56.2 -41.9 17.2 4.1 36.1 114 123 A E H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 108.0 49.5 -60.1 -42.7 18.2 4.8 39.7 115 124 A D H > S+ 0 0 24 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.906 111.2 49.7 -63.6 -42.8 20.6 7.6 38.5 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.935 108.9 51.8 -60.8 -47.1 17.9 9.1 36.4 117 126 A R H >< S+ 0 0 156 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.793 113.0 44.7 -63.6 -28.3 15.4 9.1 39.2 118 127 A K H 3< S+ 0 0 144 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.549 116.0 46.9 -95.1 -6.0 17.8 10.9 41.5 119 128 A N T X< + 0 0 40 -3,-0.9 3,-2.4 -4,-0.9 -1,-0.2 -0.104 67.9 134.3-120.3 34.8 18.9 13.4 38.8 120 129 A E G X + 0 0 73 -3,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.724 64.7 66.9 -55.7 -24.7 15.4 14.3 37.6 121 130 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.601 92.4 60.8 -78.1 -7.9 16.4 18.0 37.7 122 131 A K G < S+ 0 0 99 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.3 0.360 90.6 91.3 -93.7 5.2 18.8 17.4 34.8 123 132 A L S < S- 0 0 17 -3,-1.3 -26,-0.0 -4,-0.1 -27,-0.0 -0.777 73.1-128.9-102.6 142.6 16.0 16.2 32.5 124 133 A N > - 0 0 87 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.218 42.1 -92.0 -72.8 177.7 14.0 18.3 30.1 125 134 A H H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.938 126.4 48.6 -60.6 -48.6 10.2 18.0 30.2 126 135 A H H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.941 112.0 49.9 -53.9 -52.9 9.9 15.3 27.6 127 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 106.6 55.6 -54.9 -42.4 12.7 13.3 29.3 128 137 A R H X S+ 0 0 109 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.889 109.9 44.7 -59.1 -41.5 10.9 13.5 32.7 129 138 A I H X S+ 0 0 13 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.898 111.2 54.3 -73.2 -37.2 7.7 12.1 31.3 130 139 A G H < S+ 0 0 1 -4,-2.3 -35,-0.2 -35,-0.4 -2,-0.2 0.896 110.9 45.9 -60.0 -40.1 9.6 9.3 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.4 3,-1.6 -36,-0.2 4,-0.3 0.928 109.5 54.7 -66.5 -44.9 11.3 8.4 32.8 132 141 A K H 3< S+ 0 0 124 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.877 120.3 31.0 -57.4 -42.2 8.0 8.5 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 -0.035 81.0 128.8-107.9 30.8 6.4 6.0 32.3 134 143 A F H <> S+ 0 0 26 -3,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.919 78.9 39.6 -51.7 -50.1 9.5 4.1 31.4 135 144 A G H >4 S+ 0 0 40 -4,-0.3 3,-1.2 -3,-0.2 4,-0.4 0.949 115.5 51.2 -66.2 -49.6 8.0 0.7 32.2 136 145 A D H >4 S+ 0 0 36 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.878 103.0 58.8 -54.5 -43.9 4.6 1.5 30.7 137 146 A F H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.668 100.8 56.5 -69.4 -15.9 6.0 2.8 27.4 138 147 A E T << S+ 0 0 100 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.3 0.540 88.7 93.6 -89.9 -6.2 7.6 -0.5 26.7 139 148 A K S < S- 0 0 109 -3,-1.7 2,-0.1 -4,-0.4 -3,-0.0 -0.689 75.6-128.3 -84.9 139.4 4.4 -2.4 27.0 140 149 A R - 0 0 140 -2,-0.3 40,-0.2 104,-0.1 -2,-0.1 -0.406 16.1-120.3 -82.3 163.7 2.4 -3.1 23.8 141 150 A I E -A 179 0A 0 38,-3.0 38,-2.4 -2,-0.1 40,-0.1 -0.921 21.2-131.6-109.0 116.8 -1.3 -2.2 23.3 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.403 24.2-118.1 -62.0 143.7 -3.6 -5.1 22.5 143 152 A R H 3> S+ 0 0 57 34,-2.5 4,-2.8 1,-0.3 5,-0.2 0.841 115.1 62.8 -54.1 -34.3 -5.9 -4.2 19.5 144 153 A E H 3> S+ 0 0 145 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.917 105.7 44.2 -57.0 -44.4 -8.9 -4.6 21.9 145 154 A E H <> S+ 0 0 31 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.884 109.8 56.5 -66.6 -37.1 -7.5 -1.7 23.9 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18.8-163.0 -87.8 135.2 -4.8 11.9 12.1 186 195 A L E +Bc 166 250B 1 63,-3.5 65,-2.4 -2,-0.4 2,-0.3 -0.970 12.9 176.0-126.4 132.9 -7.1 14.8 12.5 187 196 A T E +B 165 0B 5 -22,-2.4 -22,-2.2 -2,-0.4 5,-0.1 -0.932 6.2 179.0-125.8 161.2 -9.0 17.0 10.0 188 197 A H > - 0 0 0 3,-0.4 3,-1.9 63,-0.4 65,-0.5 -0.950 36.5-122.9-154.7 139.1 -11.5 19.9 10.1 189 198 A P T 3 S+ 0 0 47 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.787 107.3 66.4 -54.9 -29.7 -13.0 21.8 7.2 190 199 A S T 3 S+ 0 0 16 1,-0.1 7,-2.6 6,-0.1 2,-0.7 0.741 94.7 63.2 -64.2 -23.4 -11.7 25.1 8.7 191 200 A F B < +F 196 0C 28 -3,-1.9 62,-2.4 5,-0.2 -3,-0.4 -0.892 66.4 144.5-114.9 107.4 -8.1 24.1 8.1 192 201 A T - 0 0 36 3,-2.8 -2,-0.0 -2,-0.7 -5,-0.0 -0.749 65.0 -96.6-128.7 176.4 -7.0 23.6 4.5 193 202 A S S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.715 125.2 48.8 -67.6 -19.9 -3.9 24.3 2.4 194 203 A E S S- 0 0 169 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.864 122.6 -1.6 -86.9 -41.4 -5.6 27.5 1.4 195 204 A S - 0 0 36 -5,-0.0 -3,-2.8 0, 0.0 2,-0.6 -0.997 44.8-141.0-153.3 151.2 -6.7 28.9 4.7 196 205 A T B +F 191 0C 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.923 28.4 170.7-111.3 103.0 -6.9 28.5 8.5 197 206 A K + 0 0 162 -7,-2.6 -6,-0.1 -2,-0.6 -1,-0.1 0.667 62.8 43.8 -92.6 -19.0 -10.3 29.9 9.3 198 207 A Q S S- 0 0 68 -8,-0.2 3,-0.4 0, 0.0 -1,-0.1 -0.992 74.2-142.7-125.6 136.3 -10.5 28.8 13.0 199 208 A P S S+ 0 0 101 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.424 79.8 28.6 -82.5 168.3 -7.7 29.0 15.6 200 209 A K > + 0 0 133 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 0.665 68.4 147.1 60.9 23.0 -7.0 26.4 18.3 201 210 A L H > S+ 0 0 6 -3,-0.4 4,-0.9 1,-0.2 -1,-0.1 0.919 80.0 34.3 -57.9 -45.4 -8.3 23.5 16.2 202 211 A L H > S+ 0 0 3 21,-0.4 4,-2.4 2,-0.2 3,-0.4 0.915 115.8 57.4 -72.6 -44.1 -5.8 21.1 17.7 203 212 A H H > S+ 0 0 58 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.899 101.9 54.5 -55.1 -47.6 -5.9 22.8 21.1 204 213 A Q H X S+ 0 0 75 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.861 110.8 46.5 -54.6 -41.7 -9.6 22.3 21.5 205 214 A V H X S+ 0 0 2 -4,-0.9 4,-2.1 -3,-0.4 -1,-0.2 0.924 111.7 49.0 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