==== 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/DNA 04-SEP-09 3JPT . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,J.UPTON,B.KASHMEROV,W.A.BEARD,S.H.WILSON,M.F.GOODM . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 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 1 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 0 180 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 6.4 9.7 -15.1 12.5 2 11 A L T 3 + 0 0 92 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.862 360.0 18.8 -55.7 -39.7 10.9 -17.5 9.8 3 12 A N T 3> S+ 0 0 14 1,-0.1 4,-2.5 35,-0.1 -1,-0.3 -0.235 86.5 140.6-124.5 39.8 14.4 -15.8 9.9 4 13 A G H <> + 0 0 16 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.878 66.8 56.5 -51.3 -46.6 13.9 -14.3 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.960 112.1 41.9 -51.4 -56.6 17.4 -15.0 14.5 6 15 A I H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 115.1 48.0 -58.9 -49.0 18.9 -13.1 11.6 7 16 A T H X S+ 0 0 23 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.851 110.5 53.0 -65.3 -32.0 16.5 -10.2 11.6 8 17 A D H X S+ 0 0 107 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.949 109.2 50.1 -65.1 -46.4 17.0 -9.7 15.4 9 18 A M H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.919 111.5 46.8 -56.7 -48.4 20.8 -9.6 14.8 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 111.6 52.1 -63.1 -37.7 20.5 -7.0 12.1 11 20 A T H X S+ 0 0 62 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.898 109.6 48.9 -66.4 -38.5 18.2 -5.0 14.3 12 21 A E H X S+ 0 0 69 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.926 112.5 48.1 -67.0 -41.6 20.6 -5.1 17.2 13 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.894 110.6 52.5 -63.9 -38.8 23.4 -4.0 14.8 14 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.938 108.8 48.8 -62.2 -48.1 21.1 -1.2 13.5 15 24 A N H X S+ 0 0 66 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.837 110.2 52.6 -62.6 -32.0 20.4 0.0 17.0 16 25 A F H X>S+ 0 0 25 -4,-1.8 5,-2.0 2,-0.2 4,-1.5 0.920 108.4 48.6 -70.0 -43.1 24.2 -0.0 17.8 17 26 A E H <5S+ 0 0 9 -4,-2.2 6,-3.6 3,-0.2 5,-0.2 0.878 118.7 41.9 -63.8 -35.7 25.1 2.0 14.8 18 27 A K H <5S+ 0 0 67 -4,-2.0 -2,-0.2 4,-0.3 -1,-0.2 0.929 124.2 30.9 -76.5 -50.7 22.4 4.6 15.6 19 28 A N H <5S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.2 84,-0.2 0.941 134.5 21.3 -77.5 -49.3 22.7 4.9 19.4 20 29 A V T <5S+ 0 0 13 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.924 132.7 33.9 -87.7 -51.7 26.5 4.3 20.0 21 30 A S S > + 0 0 27 -6,-3.6 4,-2.2 1,-0.1 3,-0.6 -0.755 23.2 178.1-115.4 79.0 26.1 6.3 12.1 24 33 A I H 3> S+ 0 0 82 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.805 76.1 52.0 -54.3 -37.7 22.6 6.9 10.7 25 34 A H H 3> S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.833 110.7 47.3 -73.1 -30.3 23.2 5.5 7.3 26 35 A K H <> S+ 0 0 122 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.873 108.3 58.3 -73.6 -36.2 24.5 2.3 8.6 27 36 A Y H X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.948 111.4 39.9 -54.9 -52.0 21.5 2.2 10.9 28 37 A N H X S+ 0 0 32 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.841 108.9 60.7 -68.8 -33.6 19.2 2.3 7.9 29 38 A A H X S+ 0 0 50 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.942 111.0 41.0 -58.8 -46.0 21.4 -0.1 5.9 30 39 A Y H X S+ 0 0 22 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.892 113.8 52.7 -69.0 -41.0 20.8 -2.7 8.6 31 40 A R H X S+ 0 0 40 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.929 110.0 48.8 -60.2 -45.1 17.2 -1.9 9.1 32 41 A K H X S+ 0 0 104 -4,-3.1 4,-3.4 2,-0.2 5,-0.3 0.945 112.1 47.6 -59.2 -51.0 16.6 -2.3 5.3 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 22,-0.3 5,-0.2 0.904 112.9 49.5 -56.9 -43.8 18.3 -5.6 5.2 34 43 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.918 113.0 48.6 -61.7 -41.6 16.3 -6.7 8.3 35 44 A S H X S+ 0 0 10 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.947 112.1 46.0 -63.6 -49.9 13.2 -5.5 6.5 36 45 A V H X S+ 0 0 20 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.848 116.2 46.3 -64.5 -32.9 13.9 -7.3 3.2 37 46 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.858 105.6 58.0 -77.9 -35.9 14.9 -10.5 5.0 38 47 A A H 3< S+ 0 0 69 -4,-2.3 -36,-0.2 1,-0.2 -1,-0.2 0.807 109.0 48.3 -62.3 -27.8 11.8 -10.5 7.3 39 48 A K H 3< S+ 0 0 134 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.637 84.3 110.7 -86.6 -18.5 9.7 -10.4 4.2 40 49 A Y << - 0 0 49 -3,-0.7 4,-0.1 -4,-0.5 -38,-0.1 -0.452 62.8-146.5 -64.5 120.4 11.6 -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 0.086 72.5 76.7 -77.6 23.6 9.3 -16.4 2.3 42 51 A H S S- 0 0 104 -2,-0.1 2,-0.9 -39,-0.0 -2,-0.1 -0.981 86.6-112.6-135.6 147.7 12.1 -18.9 2.8 43 52 A K - 0 0 154 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.698 47.5-121.2 -78.0 108.4 14.2 -20.0 5.7 44 53 A I - 0 0 7 -2,-0.9 3,-0.1 1,-0.1 -1,-0.1 -0.212 31.6-177.2 -54.5 137.1 17.6 -18.6 4.7 45 54 A K + 0 0 174 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.613 62.5 8.2-111.0 -20.2 20.4 -21.2 4.4 46 55 A S > - 0 0 37 1,-0.1 4,-1.7 22,-0.0 -1,-0.3 -0.994 66.5-112.6-158.9 160.2 23.4 -19.0 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.916 118.1 57.9 -60.3 -41.6 24.7 -15.5 3.4 48 57 A A H > S+ 0 0 65 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.918 104.2 50.2 -53.9 -47.7 25.0 -16.0 -0.4 49 58 A E H 4 S+ 0 0 35 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.879 114.7 46.0 -59.1 -36.5 21.3 -16.8 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.865 100.3 65.0 -74.4 -38.0 20.7 -13.6 1.4 51 60 A K H 3< S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.664 89.0 71.9 -60.9 -14.5 23.1 -11.5 -0.7 52 61 A K T 3< S+ 0 0 179 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.740 84.1 80.9 -72.7 -23.0 20.6 -12.1 -3.5 53 62 A L S X S- 0 0 28 -3,-2.3 3,-1.4 -4,-0.2 2,-0.2 -0.586 95.3-104.2 -83.5 147.2 18.1 -9.8 -1.9 54 63 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.521 107.1 33.4 -71.8 133.8 18.6 -6.0 -2.4 55 64 A G T 3 S+ 0 0 37 -2,-0.2 2,-0.7 1,-0.2 -22,-0.3 0.186 95.1 100.0 105.9 -17.0 20.0 -4.4 0.7 56 65 A V < + 0 0 7 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.905 51.0 167.9-106.7 109.6 22.1 -7.4 1.7 57 66 A G > - 0 0 33 -2,-0.7 4,-1.9 -3,-0.1 5,-0.2 -0.122 51.9 -70.2-102.9-157.8 25.7 -6.9 0.6 58 67 A T H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 126.2 50.4 -63.8 -47.1 29.0 -8.7 1.3 59 68 A K H > S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 115.1 40.6 -59.4 -49.3 29.3 -7.5 5.0 60 69 A I H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 112.5 56.8 -70.5 -33.3 25.8 -8.6 6.0 61 70 A A H X S+ 0 0 8 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.933 107.8 48.3 -61.1 -44.9 26.1 -11.8 4.0 62 71 A E H X S+ 0 0 130 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.893 110.6 50.9 -62.3 -40.5 29.3 -12.7 5.9 63 72 A K H X S+ 0 0 33 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.851 105.8 56.0 -67.2 -33.8 27.6 -12.0 9.2 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.877 106.9 49.7 -66.5 -37.0 24.7 -14.2 8.3 65 74 A D H X S+ 0 0 73 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.930 110.6 49.2 -67.1 -45.0 27.0 -17.1 7.7 66 75 A E H X>S+ 0 0 36 -4,-2.0 4,-2.7 1,-0.2 5,-0.6 0.940 113.9 47.4 -59.1 -44.8 28.7 -16.6 11.1 67 76 A F H X5S+ 0 0 42 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.907 112.5 47.5 -63.3 -43.0 25.3 -16.5 12.6 68 77 A L H <5S+ 0 0 69 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.888 116.3 45.7 -65.8 -38.3 24.0 -19.6 10.9 69 78 A A H <5S+ 0 0 85 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.979 132.3 14.8 -67.9 -58.3 27.2 -21.5 11.8 70 79 A T H <5S- 0 0 85 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.716 95.1-121.3 -93.2 -25.3 27.5 -20.5 15.5 71 80 A G S < - 0 0 5 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.996 10.3-152.0-130.0 126.4 27.8 -12.9 16.2 74 83 A R H > S+ 0 0 143 -2,-0.4 4,-2.4 1,-0.2 5,-0.3 0.893 96.9 60.0 -63.3 -41.3 31.1 -12.1 17.9 75 84 A K H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 110.4 42.3 -54.1 -41.4 30.8 -8.4 17.1 76 85 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.833 107.4 60.7 -75.1 -33.8 27.6 -8.2 19.0 77 86 A E H X S+ 0 0 80 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.935 110.1 42.2 -58.0 -45.6 28.9 -10.4 21.9 78 87 A K H X S+ 0 0 147 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.867 109.3 57.6 -69.7 -37.5 31.6 -7.8 22.5 79 88 A I H < S+ 0 0 18 -4,-1.5 7,-0.2 -5,-0.3 -1,-0.2 0.892 107.5 49.3 -60.3 -37.7 29.2 -4.9 22.0 80 89 A R H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 109.2 51.6 -68.1 -38.7 27.1 -6.4 24.8 81 90 A Q H < S+ 0 0 147 -4,-1.5 2,-0.4 -5,-0.2 -2,-0.2 0.832 87.8 95.2 -66.4 -34.4 30.2 -6.7 27.1 82 91 A D X - 0 0 73 -4,-2.1 4,-2.1 1,-0.2 5,-0.1 -0.456 63.6-158.5 -63.2 116.8 31.1 -3.1 26.6 83 92 A D H > S+ 0 0 122 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.845 88.6 52.0 -67.7 -34.4 29.7 -1.2 29.5 84 93 A T H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 112.3 44.2 -67.5 -49.4 29.7 2.2 27.7 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 114.6 51.2 -59.8 -42.3 27.8 0.9 24.7 86 95 A S H X S+ 0 0 44 -4,-2.1 4,-2.3 -7,-0.2 -1,-0.2 0.931 111.0 46.2 -61.8 -48.4 25.4 -1.0 26.9 87 96 A S H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.956 113.2 50.2 -59.7 -50.6 24.6 2.0 29.0 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.909 110.6 48.8 -55.1 -46.3 24.2 4.3 26.0 89 98 A N H < S+ 0 0 36 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.907 112.7 49.8 -61.6 -41.4 21.8 1.8 24.3 90 99 A F H >< S+ 0 0 50 -4,-2.3 3,-2.2 -5,-0.2 -2,-0.2 0.962 108.1 50.7 -62.0 -53.4 19.8 1.5 27.5 91 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 6,-0.2 0.833 100.4 63.5 -55.1 -36.3 19.4 5.3 28.0 92 101 A T T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.603 88.0 74.1 -66.1 -8.0 18.2 5.8 24.5 93 102 A R T < S+ 0 0 125 -3,-2.2 2,-0.5 -4,-0.3 -1,-0.3 0.602 76.7 89.0 -79.9 -11.9 15.2 3.7 25.4 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.3 -4,-0.2 2,-0.1 -0.762 94.4-110.6 -86.0 128.0 13.8 6.5 27.5 95 104 A S T 3 S+ 0 0 35 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.390 105.3 25.9 -59.8 126.5 11.6 8.7 25.3 96 105 A G T 3 S+ 0 0 34 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.184 96.1 103.2 105.6 -18.9 13.4 12.0 24.8 97 106 A I < + 0 0 6 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.1 -0.885 49.9 178.0-101.1 113.1 16.9 10.7 25.3 98 107 A G > - 0 0 28 -2,-0.7 4,-2.9 -3,-0.1 5,-0.2 -0.317 48.5 -78.2-100.7-171.3 18.7 10.3 22.0 99 108 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.842 129.3 46.9 -56.1 -38.4 22.3 9.1 21.1 100 109 A S H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.973 115.5 42.0 -71.3 -54.5 23.8 12.5 22.1 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 114.8 53.6 -59.3 -39.4 22.0 12.9 25.4 102 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.950 110.3 45.3 -61.4 -49.1 22.6 9.3 26.2 103 112 A R H X S+ 0 0 85 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.891 113.1 52.4 -62.4 -38.1 26.4 9.6 25.6 104 113 A K H >X S+ 0 0 123 -4,-2.5 3,-0.7 2,-0.2 4,-0.6 0.963 108.4 48.6 -63.0 -51.6 26.4 12.9 27.6 105 114 A F H ><>S+ 0 0 14 -4,-2.9 5,-2.2 1,-0.3 3,-1.9 0.910 108.8 53.4 -54.1 -46.2 24.7 11.3 30.6 106 115 A V H ><5S+ 0 0 12 -4,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.816 103.4 58.5 -59.8 -29.1 27.1 8.4 30.6 107 116 A D H <<5S+ 0 0 127 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.642 106.2 49.3 -73.3 -15.3 29.9 11.0 30.6 108 117 A E T <<5S- 0 0 80 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.414 123.4-103.0-102.3 -1.6 28.4 12.3 33.9 109 118 A G T < 5S+ 0 0 47 -3,-0.8 2,-1.0 -4,-0.5 -3,-0.2 0.503 81.1 132.6 92.1 4.2 28.2 8.9 35.5 110 119 A I < + 0 0 7 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.796 17.9 139.0 -91.1 99.4 24.4 8.6 34.9 111 120 A K + 0 0 83 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.486 48.1 52.8-123.0 -6.9 24.1 5.1 33.5 112 121 A T S > S- 0 0 61 1,-0.1 4,-2.4 -22,-0.1 5,-0.2 -0.805 82.1-106.1-130.5 173.1 21.1 3.4 35.0 113 122 A L H > S+ 0 0 41 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.886 123.7 54.1 -60.8 -37.8 17.3 3.8 35.6 114 123 A E H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 107.8 49.3 -62.7 -42.9 18.3 4.4 39.2 115 124 A D H > S+ 0 0 21 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.895 108.8 52.4 -64.6 -41.4 20.7 7.2 38.2 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.924 108.1 50.9 -60.9 -46.4 18.0 8.8 36.0 117 126 A R H >< S+ 0 0 149 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.915 109.9 48.0 -58.7 -47.2 15.5 9.0 38.7 118 127 A K H 3< S+ 0 0 142 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.594 115.3 49.1 -71.7 -9.0 17.8 10.6 41.3 119 128 A N T X< + 0 0 29 -3,-0.9 3,-2.5 -4,-0.6 -1,-0.3 -0.021 62.6 131.7-119.6 30.1 18.8 13.1 38.6 120 129 A E G X + 0 0 80 -3,-1.3 3,-2.6 1,-0.3 -1,-0.1 0.847 67.9 70.1 -49.2 -35.3 15.4 14.2 37.3 121 130 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.815 93.7 56.1 -52.7 -32.4 16.8 17.8 37.7 122 131 A K G < S+ 0 0 90 -3,-2.5 2,-0.3 -6,-0.2 -1,-0.3 0.319 94.6 88.7 -86.1 11.0 19.1 17.1 34.7 123 132 A L S < S- 0 0 15 -3,-2.6 2,-0.1 -4,-0.1 -26,-0.0 -0.836 70.8-131.4-111.4 146.1 16.2 16.1 32.4 124 133 A N > - 0 0 86 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.322 44.8 -88.3 -81.2 175.1 14.1 18.3 30.1 125 134 A H H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.907 125.6 47.3 -49.8 -54.2 10.3 17.9 30.2 126 135 A H H > S+ 0 0 37 1,-0.2 4,-2.6 93,-0.2 3,-0.3 0.929 112.4 48.4 -55.9 -51.4 10.0 15.1 27.6 127 136 A Q H > S+ 0 0 13 -31,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 108.0 57.0 -60.9 -33.5 12.8 13.0 29.1 128 137 A R H X S+ 0 0 97 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.888 111.1 41.6 -65.7 -38.4 11.1 13.4 32.5 129 138 A I H X S+ 0 0 12 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.856 110.7 57.5 -76.6 -34.7 7.9 12.0 31.2 130 139 A G H < S+ 0 0 1 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.901 111.0 43.1 -60.5 -40.1 9.8 9.3 29.3 131 140 A L H >< S+ 0 0 5 -4,-2.1 3,-1.6 2,-0.2 4,-0.3 0.915 108.4 59.1 -70.9 -43.7 11.4 8.2 32.6 132 141 A K H 3< S+ 0 0 127 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.884 119.9 27.8 -52.3 -43.8 8.1 8.4 34.5 133 142 A Y T 3X S+ 0 0 20 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.062 82.4 129.2-108.4 23.5 6.4 5.9 32.2 134 143 A F T <4 S+ 0 0 25 -3,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.882 77.6 41.8 -44.6 -51.7 9.5 4.0 31.2 135 144 A G T >> S+ 0 0 36 -4,-0.3 3,-1.3 -3,-0.2 4,-0.5 0.940 114.6 50.3 -64.8 -47.1 8.0 0.6 32.0 136 145 A D G >4 S+ 0 0 37 1,-0.3 3,-2.1 2,-0.2 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0B 11 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.899 2.2-173.5-106.5 129.5 -10.2 11.6 13.5 167 176 A T E -B 185 0B 27 18,-2.8 18,-3.3 -2,-0.5 2,-0.6 -0.984 20.6-135.4-123.6 127.6 -8.6 8.6 11.8 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 -18,-0.0 -0.709 36.8 166.4 -83.9 120.2 -6.4 6.1 13.7 169 178 A C >> + 0 0 0 14,-2.9 4,-1.3 -2,-0.6 3,-0.8 0.167 28.1 76.3-108.7-135.6 -3.3 5.3 11.6 170 179 A G H 3> S- 0 0 6 93,-2.6 4,-1.0 1,-0.2 3,-0.4 -0.166 114.1 -28.2 59.9-157.6 0.0 3.6 12.3 171 180 A S H 34>S+ 0 0 22 1,-0.2 5,-2.6 2,-0.2 -1,-0.2 0.757 134.7 68.2 -63.6 -25.3 0.1 -0.2 12.5 172 181 A F H X45S+ 0 0 13 -3,-0.8 3,-2.1 1,-0.2 -1,-0.2 0.963 102.4 44.3 -58.3 -51.1 -3.6 -0.2 13.7 173 182 A R H 3<5S+ 0 0 63 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.775 107.8 61.5 -63.6 -24.3 -4.7 1.0 10.3 174 183 A R T 3<5S- 0 0 43 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.366 122.4-108.7 -82.9 6.0 -2.3 -1.7 8.9 175 184 A G T < 5 + 0 0 37 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.588 58.4 166.0 80.0 12.4 -4.4 -4.3 10.7 176 185 A A < - 0 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12.1 186 195 A L E +Bc 166 250B 1 63,-3.0 65,-2.4 -2,-0.4 2,-0.3 -0.959 10.8 175.6-128.4 143.3 -7.1 14.8 12.5 187 196 A T E -B 165 0B 3 -22,-1.2 -22,-2.1 -2,-0.4 5,-0.1 -0.976 8.5-173.6-142.3 156.7 -8.8 17.1 10.0 188 197 A H > - 0 0 2 3,-0.4 3,-1.9 63,-0.4 65,-0.6 -0.986 32.7-125.6-147.3 140.2 -11.3 19.9 10.1 189 198 A P T 3 S+ 0 0 53 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.782 107.7 64.2 -60.2 -23.1 -12.9 21.7 7.2 190 199 A S T 3 S+ 0 0 13 1,-0.2 7,-3.3 6,-0.1 8,-0.6 0.415 95.2 65.9 -81.5 2.7 -11.8 25.1 8.5 191 200 A F B < +F 196 0C 27 -3,-1.9 62,-2.6 5,-0.2 -3,-0.4 -0.901 64.7 140.3-130.1 104.6 -8.1 24.1 8.1 192 201 A T - 0 0 35 3,-2.6 3,-0.3 -2,-0.5 -2,-0.0 -0.700 67.1 -95.8-129.2-179.2 -6.9 23.6 4.5 193 202 A S S S+ 0 0 70 -2,-0.2 3,-0.1 1,-0.2 94,-0.0 0.673 124.1 57.9 -73.5 -16.9 -3.8 24.5 2.5 194 203 A E S S- 0 0 159 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.752 122.5 -30.7 -84.5 -27.5 -5.6 27.5 1.4 195 204 A S - 0 0 46 -3,-0.3 -3,-2.6 0, 0.0 2,-0.6 -0.955 44.8-115.9 178.3 162.4 -6.2 28.9 4.9 196 205 A T B +F 191 0C 89 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.959 28.2 176.9-113.0 108.8 -6.8 28.5 8.6 197 206 A K + 0 0 164 -7,-3.3 -6,-0.1 -2,-0.6 -1,-0.1 0.556 68.8 34.0 -91.2 -9.2 -10.2 29.8 9.4 198 207 A Q S S- 0 0 82 -8,-0.6 3,-0.5 0, 0.0 -1,-0.2 -0.986 73.0-143.4-147.5 133.0 -10.2 28.9 13.1 199 208 A P S S+ 0 0 90 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.373 79.1 35.8 -89.1 173.8 -7.3 28.8 15.6 200 209 A K > + 0 0 126 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 0.675 68.8 143.3 58.9 20.0 -6.8 26.3 18.4 201 210 A L H > S+ 0 0 4 -3,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.925 78.6 34.4 -55.2 -47.5 -8.2 23.5 16.3 202 211 A L H > S+ 0 0 3 21,-0.4 4,-2.4 2,-0.2 3,-0.4 0.926 115.5 58.2 -73.5 -44.0 -5.7 21.0 17.7 203 212 A H H > S+ 0 0 64 1,-0.2 4,-3.8 2,-0.2 -2,-0.2 0.893 101.8 54.0 -50.2 -49.5 -5.7 22.6 21.1 204 213 A Q H X S+ 0 0 73 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.876 109.9 46.6 -56.6 -42.8 -9.4 22.1 21.6 205 214 A V H X S+ 0 0 1 -4,-1.0 4,-2.7 -3,-0.4 5,-0.2 0.947 115.0 46.6 -65.2 -48.4 -9.3 18.4 20.9 206 215 A V H X S+ 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