==== 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, LYASE/DNA 25-JAN-08 3C2M . 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) . 17332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.4 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 . 29 8.9 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.3 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 2 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 . 1 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 0 168 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 93.0 4.2 -17.2 30.7 2 11 A L T 3 + 0 0 88 1,-0.2 3,-0.1 38,-0.2 36,-0.1 0.752 360.0 33.0 -71.3 -24.8 6.9 -19.1 28.9 3 12 A N T 3> S+ 0 0 8 1,-0.1 4,-2.4 37,-0.1 -1,-0.2 -0.144 74.0 132.0-125.5 39.2 9.4 -16.4 29.8 4 13 A G H <> S+ 0 0 16 -3,-0.9 4,-2.5 1,-0.2 5,-0.3 0.892 72.2 56.6 -57.3 -42.8 8.2 -15.2 33.2 5 14 A G H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 111.7 41.7 -54.4 -52.1 11.6 -15.3 34.7 6 15 A I H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 114.9 49.0 -63.1 -45.7 13.1 -13.0 32.1 7 16 A T H X S+ 0 0 22 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.843 108.6 53.7 -68.0 -32.5 10.2 -10.6 31.9 8 17 A D H X S+ 0 0 117 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.953 110.1 48.6 -62.8 -47.9 10.2 -10.2 35.7 9 18 A M H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.905 111.4 49.4 -56.9 -45.1 13.9 -9.4 35.6 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 110.7 50.5 -65.5 -34.5 13.3 -6.8 32.9 11 20 A T H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.899 109.6 49.1 -71.9 -37.9 10.5 -5.2 34.8 12 21 A E H X S+ 0 0 56 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.894 111.0 51.0 -67.7 -37.9 12.5 -4.9 38.0 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 109.8 52.0 -64.4 -37.6 15.3 -3.3 36.0 14 23 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 107.1 50.1 -65.4 -43.7 12.7 -0.9 34.5 15 24 A N H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.846 109.9 53.5 -66.0 -28.8 11.4 0.2 37.9 16 25 A F H X>S+ 0 0 21 -4,-1.6 4,-2.2 2,-0.2 5,-1.7 0.930 108.2 47.2 -69.2 -46.8 14.9 0.8 39.0 17 26 A E H <5S+ 0 0 10 -4,-2.1 6,-3.1 3,-0.2 5,-0.4 0.853 118.6 43.8 -64.5 -31.9 15.8 3.1 36.1 18 27 A K H <5S+ 0 0 67 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.931 123.7 30.8 -77.9 -49.5 12.5 4.9 36.7 19 28 A N H <5S+ 0 0 18 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.898 134.5 22.3 -79.4 -42.6 12.5 5.3 40.4 20 29 A V T <5S+ 0 0 12 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.926 130.7 33.4 -93.8 -53.7 16.3 5.5 41.2 21 30 A S S > - 0 0 29 -6,-3.1 4,-2.2 1,-0.2 3,-1.3 -0.777 28.1-178.3-115.4 82.8 15.9 7.7 33.4 24 33 A I H 3> S+ 0 0 76 -2,-0.7 4,-2.3 1,-0.3 -1,-0.2 0.774 79.0 56.0 -53.6 -31.3 12.4 7.4 31.9 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.770 107.0 47.1 -77.3 -24.7 13.7 6.2 28.6 26 35 A K H <> S+ 0 0 123 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.895 110.9 55.0 -77.2 -39.6 15.7 3.3 30.0 27 36 A Y H X S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.935 111.4 43.1 -53.7 -50.6 12.5 2.5 32.0 28 37 A N H X S+ 0 0 42 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.823 109.3 57.7 -68.5 -30.5 10.5 2.4 28.7 29 38 A A H X S+ 0 0 48 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.911 108.5 46.6 -65.0 -42.4 13.3 0.5 26.9 30 39 A Y H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.919 112.1 49.1 -66.6 -43.9 13.1 -2.3 29.5 31 40 A R H X S+ 0 0 45 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.841 109.3 53.7 -65.8 -30.9 9.3 -2.4 29.5 32 41 A K H X S+ 0 0 113 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.940 111.2 45.5 -66.9 -45.6 9.3 -2.6 25.6 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 22,-0.3 5,-0.2 0.930 113.8 48.9 -62.0 -47.0 11.7 -5.6 25.8 34 43 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.898 112.8 48.7 -59.4 -43.1 9.6 -7.3 28.5 35 44 A S H X S+ 0 0 10 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.954 112.2 46.8 -63.0 -51.2 6.4 -6.7 26.5 36 45 A V H X S+ 0 0 33 -4,-2.7 4,-0.7 1,-0.2 3,-0.2 0.861 114.3 48.4 -60.5 -36.7 7.9 -8.1 23.2 37 46 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.875 105.0 58.5 -71.5 -37.1 9.3 -11.1 25.1 38 47 A A H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.760 108.0 47.9 -63.3 -23.6 5.9 -11.7 26.8 39 48 A K H 3< S+ 0 0 129 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.644 85.6 107.6 -90.2 -17.0 4.4 -12.0 23.3 40 49 A Y << - 0 0 42 -4,-0.7 -38,-0.2 -3,-0.7 -37,-0.1 -0.463 61.9-150.1 -65.1 125.9 7.1 -14.4 22.0 41 50 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.268 70.2 72.6 -82.8 11.0 5.6 -17.9 21.7 42 51 A H S S- 0 0 109 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.938 88.8-107.4-126.3 149.0 8.8 -19.9 22.4 43 52 A K - 0 0 119 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.650 43.3-123.5 -75.1 113.4 10.8 -20.4 25.6 44 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -38,-0.1 -0.365 30.6-178.2 -59.0 129.4 13.9 -18.3 25.1 45 54 A K + 0 0 169 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.380 62.0 8.0-111.9 2.2 17.0 -20.4 25.4 46 55 A S S > S- 0 0 43 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.982 72.7-103.7-171.4 165.1 19.6 -17.7 24.9 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 15,-0.1 0.878 116.9 56.6 -66.8 -37.3 20.3 -14.0 24.6 48 57 A A H > S+ 0 0 69 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.887 104.1 52.7 -62.9 -38.5 20.8 -14.2 20.8 49 58 A E H >4 S+ 0 0 39 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.968 114.5 41.6 -61.4 -50.2 17.4 -15.8 20.4 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 6,-0.2 0.864 103.5 70.6 -62.8 -34.6 15.8 -12.9 22.3 51 60 A K H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 86.0 66.6 -54.5 -28.0 18.1 -10.5 20.4 52 61 A K T << S+ 0 0 174 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.805 85.1 90.1 -64.7 -29.6 16.1 -11.1 17.2 53 62 A L S X S- 0 0 30 -3,-1.9 3,-1.8 -4,-0.4 2,-0.3 -0.447 90.0-107.3 -73.6 139.4 13.1 -9.4 18.8 54 63 A P T 3 S+ 0 0 91 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.490 107.4 30.9 -67.3 122.9 12.7 -5.6 18.3 55 64 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.7 1,-0.2 -22,-0.3 0.071 96.6 97.7 116.4 -22.0 13.4 -3.9 21.6 56 65 A V < + 0 0 7 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.885 52.4 166.1-104.3 108.7 15.9 -6.4 22.8 57 66 A G > - 0 0 30 -2,-0.7 4,-2.3 -3,-0.1 5,-0.2 -0.198 51.1 -65.0-105.6-160.9 19.5 -5.3 22.1 58 67 A T H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.909 126.8 47.1 -55.1 -52.6 23.0 -6.2 23.1 59 68 A K H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 114.5 45.7 -63.0 -40.0 22.8 -5.3 26.8 60 69 A I H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.3 53.2 -74.2 -33.0 19.5 -7.1 27.4 61 70 A A H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.907 110.9 49.1 -64.2 -38.4 20.7 -10.2 25.5 62 71 A E H X S+ 0 0 121 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.927 111.1 47.7 -65.4 -45.9 23.7 -10.3 27.7 63 72 A K H X S+ 0 0 25 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.841 110.8 53.6 -64.1 -32.1 21.6 -9.9 30.9 64 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.873 105.3 53.7 -70.1 -36.0 19.4 -12.7 29.5 65 74 A D H X S+ 0 0 80 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.916 109.9 46.8 -64.6 -41.6 22.5 -14.9 29.1 66 75 A E H X>S+ 0 0 32 -4,-1.9 4,-3.2 2,-0.2 5,-0.6 0.886 110.8 52.7 -67.3 -40.3 23.5 -14.4 32.7 67 76 A F H X5S+ 0 0 51 -4,-1.9 4,-2.1 3,-0.2 -2,-0.2 0.919 112.2 43.7 -63.5 -44.7 20.0 -15.1 34.0 68 77 A L H <5S+ 0 0 69 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.908 119.6 43.4 -68.0 -40.0 19.6 -18.4 32.1 69 78 A A H <5S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 132.6 18.6 -71.9 -42.3 23.1 -19.5 33.1 70 79 A T H <5S- 0 0 68 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.707 92.6-126.9-103.4 -23.7 23.1 -18.4 36.8 71 80 A G S < - 0 0 7 -2,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.966 9.0-153.7-132.8 118.2 21.4 -11.1 37.8 74 83 A R H > S+ 0 0 153 -2,-0.4 4,-2.4 1,-0.2 3,-0.4 0.887 96.8 56.4 -53.3 -45.8 24.3 -9.6 39.7 75 84 A K H > S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.895 108.5 47.2 -55.8 -42.5 23.3 -6.1 38.8 76 85 A L H > S+ 0 0 8 -3,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.766 108.8 55.0 -71.9 -25.3 19.9 -6.7 40.4 77 86 A E H X S+ 0 0 65 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.915 108.9 47.4 -72.1 -42.9 21.5 -8.2 43.5 78 87 A K H >X S+ 0 0 139 -4,-2.4 4,-2.9 2,-0.2 3,-0.8 0.976 112.6 49.8 -59.7 -54.0 23.6 -5.1 44.0 79 88 A I H 3< S+ 0 0 12 -4,-2.4 7,-0.4 1,-0.3 -2,-0.2 0.916 110.0 50.8 -49.4 -50.5 20.5 -2.9 43.5 80 89 A R H 3< S+ 0 0 126 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.794 115.1 43.5 -59.5 -31.2 18.6 -5.0 46.0 81 90 A Q H << S+ 0 0 150 -4,-1.7 -2,-0.2 -3,-0.8 -1,-0.2 0.848 88.0 100.1 -84.4 -38.2 21.4 -4.7 48.6 82 91 A D X - 0 0 76 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 -0.273 66.9-145.7 -52.7 127.5 22.1 -1.0 48.1 83 92 A D H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.896 95.6 44.0 -64.2 -44.4 20.4 1.0 50.9 84 93 A T H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.917 114.9 47.4 -70.3 -44.6 19.6 4.1 48.8 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.961 116.6 45.1 -59.8 -50.8 18.4 2.2 45.8 86 95 A S H X S+ 0 0 42 -4,-2.3 4,-2.0 -7,-0.4 -2,-0.2 0.855 113.5 48.8 -61.8 -39.9 16.2 -0.1 48.0 87 96 A S H X S+ 0 0 9 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.944 113.2 46.0 -67.6 -48.3 14.9 2.8 50.1 88 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 111.9 52.7 -60.5 -42.1 13.9 4.9 47.1 89 98 A N H < S+ 0 0 38 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.897 112.2 46.0 -61.3 -40.8 12.3 1.9 45.4 90 99 A F H >< S+ 0 0 49 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.945 109.9 51.9 -68.2 -47.8 10.3 1.2 48.5 91 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.3 6,-0.2 0.869 99.5 63.5 -58.3 -37.6 9.1 4.8 49.1 92 101 A T T 3< S+ 0 0 25 -4,-2.2 -1,-0.3 1,-0.3 5,-0.2 0.665 85.2 76.6 -63.2 -12.1 7.9 5.2 45.5 93 102 A R T < S+ 0 0 122 -3,-1.8 2,-0.6 -4,-0.3 -1,-0.3 0.615 78.2 90.5 -72.4 -9.3 5.4 2.4 46.3 94 103 A V S X S- 0 0 2 -3,-2.4 3,-2.3 3,-0.2 2,-0.2 -0.792 89.8-118.8 -91.4 124.4 3.5 5.2 48.1 95 104 A S T 3 S+ 0 0 35 -2,-0.6 35,-0.4 1,-0.3 36,-0.2 -0.416 102.6 28.6 -60.0 122.8 1.0 7.0 45.9 96 105 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.193 98.2 97.6 108.5 -17.5 2.1 10.6 45.8 97 106 A I < + 0 0 7 -3,-2.3 -3,-0.2 -6,-0.2 -1,-0.2 -0.915 51.6 173.3-108.3 107.8 5.8 9.9 46.3 98 107 A G > - 0 0 32 -2,-0.7 4,-2.7 -3,-0.1 5,-0.3 -0.305 52.3 -71.6-100.0-171.4 7.6 9.8 43.0 99 108 A P H > S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.850 129.4 47.3 -48.4 -45.1 11.4 9.6 42.1 100 109 A S H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.966 114.9 41.5 -66.3 -56.6 12.1 13.2 43.3 101 110 A A H > S+ 0 0 24 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.914 115.3 53.1 -58.9 -42.3 10.3 13.1 46.7 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 111.7 44.4 -60.0 -44.2 11.6 9.6 47.3 103 112 A R H X S+ 0 0 78 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.891 113.6 52.5 -67.3 -37.2 15.2 10.6 46.7 104 113 A K H X S+ 0 0 107 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.938 110.6 45.9 -63.8 -48.8 14.6 13.8 48.8 105 114 A F H ><>S+ 0 0 6 -4,-3.2 5,-2.3 1,-0.2 3,-1.6 0.945 110.9 52.4 -59.8 -50.6 13.2 11.9 51.8 106 115 A V H ><5S+ 0 0 10 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.882 103.4 56.8 -55.8 -41.6 16.0 9.3 51.7 107 116 A D H 3<5S+ 0 0 118 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.725 109.2 49.0 -63.3 -18.5 18.7 11.9 51.7 108 117 A E T <<5S- 0 0 99 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.251 126.2-100.3-102.7 9.7 17.1 13.2 55.0 109 118 A G T < 5S+ 0 0 43 -3,-2.1 2,-1.0 1,-0.2 -3,-0.2 0.410 84.0 128.5 88.3 -3.7 16.9 9.7 56.6 110 119 A I < + 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.775 21.0 132.6 -88.4 103.9 13.3 9.1 55.8 111 120 A K + 0 0 59 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.333 51.0 54.7-135.6 6.1 13.3 5.7 54.2 112 121 A T S > S- 0 0 51 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.901 84.6-103.0-138.6 168.7 10.6 3.5 55.7 113 122 A L H > S+ 0 0 36 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.930 122.0 52.9 -55.5 -48.7 6.9 3.4 56.4 114 123 A E H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 107.2 52.7 -54.6 -43.3 7.6 4.3 60.1 115 124 A D H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 106.3 51.6 -61.8 -41.0 9.7 7.3 59.0 116 125 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.937 111.3 49.5 -60.7 -44.0 6.9 8.6 56.8 117 126 A R H >< S+ 0 0 130 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.940 111.0 48.4 -58.8 -48.6 4.6 8.3 59.8 118 127 A K H 3< S+ 0 0 174 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.894 119.6 38.2 -58.8 -43.0 7.1 10.1 62.0 119 128 A N T >< S+ 0 0 25 -4,-2.8 3,-1.8 1,-0.2 4,-0.4 -0.144 74.8 133.3-101.3 37.5 7.5 12.9 59.5 120 129 A E G X + 0 0 92 -3,-1.4 3,-2.2 1,-0.3 -1,-0.2 0.848 64.0 67.5 -55.5 -36.4 3.9 13.0 58.4 121 130 A D G 3 S+ 0 0 110 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.781 95.9 56.9 -55.1 -28.6 3.9 16.8 58.7 122 131 A K G < S+ 0 0 99 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.3 0.581 91.1 90.9 -80.7 -10.5 6.3 16.9 55.7 123 132 A L S < S- 0 0 8 -3,-2.2 2,-0.1 -4,-0.4 -3,-0.0 -0.627 72.4-131.0 -88.8 145.8 3.8 14.9 53.5 124 133 A N > - 0 0 82 -2,-0.3 4,-2.5 -28,-0.1 5,-0.2 -0.384 37.8 -90.7 -85.3 171.9 1.3 16.7 51.3 125 134 A H H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.839 126.6 49.5 -50.4 -42.2 -2.4 15.7 51.2 126 135 A H H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.951 111.8 47.2 -66.3 -46.8 -1.9 13.1 48.4 127 136 A Q H > S+ 0 0 13 -31,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.873 109.0 55.2 -62.9 -36.9 1.1 11.5 50.1 128 137 A R H X S+ 0 0 109 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.880 109.3 46.6 -64.2 -39.2 -0.8 11.3 53.4 129 138 A I H X S+ 0 0 12 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.945 111.3 52.3 -66.8 -46.6 -3.6 9.4 51.7 130 139 A G H < S+ 0 0 0 -4,-2.5 -2,-0.2 -35,-0.4 -35,-0.2 0.901 111.7 46.1 -54.3 -43.4 -1.1 7.1 50.0 131 140 A L H >< S+ 0 0 10 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.947 109.9 55.3 -64.9 -46.8 0.4 6.4 53.3 132 141 A K H 3< S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.831 120.3 29.5 -54.5 -38.0 -3.0 5.8 54.9 133 142 A Y T 3X S+ 0 0 13 -4,-2.2 4,-3.2 1,-0.1 5,-0.3 0.010 79.0 131.1-114.0 29.7 -4.0 3.2 52.3 134 143 A F H <> S+ 0 0 27 -3,-1.6 4,-0.7 1,-0.2 -1,-0.1 0.873 80.9 37.6 -49.1 -46.3 -0.5 1.8 51.5 135 144 A G H >> S+ 0 0 42 -4,-0.3 3,-0.9 -3,-0.2 4,-0.6 0.948 115.5 52.2 -73.1 -49.1 -1.7 -1.8 51.9 136 145 A D H >4 S+ 0 0 39 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.926 106.6 53.9 -52.5 -49.7 -5.1 -1.4 50.4 137 146 A F H 3< S+ 0 0 39 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 104.8 54.5 -60.4 -25.5 -3.7 0.2 47.2 138 147 A E H << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.559 89.8 96.8 -85.7 -6.2 -1.3 -2.7 46.6 139 148 A K S << S- 0 0 108 -3,-1.8 2,-0.2 -4,-0.6 -3,-0.0 -0.555 76.5-125.3 -81.1 149.2 -4.1 -5.1 46.8 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 38,-0.0 -2,-0.1 -0.574 21.1-122.0 -88.1 157.0 -5.6 -6.3 43.5 141 150 A I E -A 179 0A 0 38,-2.7 38,-2.1 -2,-0.2 40,-0.1 -0.905 22.2-127.6-105.6 118.9 -9.4 -5.9 42.9 142 151 A P E >> -A 178 0A 52 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.312 19.6-122.5 -60.9 144.3 -11.3 -9.1 42.1 143 152 A R H 3> S+ 0 0 68 34,-2.3 4,-2.1 1,-0.3 5,-0.2 0.833 112.4 62.0 -58.9 -29.3 -13.4 -8.8 38.9 144 153 A E H 3> S+ 0 0 150 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.876 105.4 45.3 -63.4 -37.6 -16.4 -9.7 41.0 145 154 A E H <> S+ 0 0 29 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.836 108.1 58.6 -73.5 -33.0 -15.9 -6.6 43.2 146 155 A M H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.916 103.7 51.4 -61.9 -44.2 -15.3 -4.5 40.0 147 156 A L H X S+ 0 0 70 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.930 109.6 49.6 -59.2 -45.4 -18.8 -5.4 38.7 148 157 A Q H X S+ 0 0 80 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.891 113.7 46.5 -60.6 -38.8 -20.3 -4.4 42.0 149 158 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 110.5 53.4 -69.1 -40.8 -18.4 -1.1 41.7 150 159 A Q H X S+ 0 0 48 -4,-3.4 4,-2.1 1,-0.2 5,-0.3 0.899 107.8 50.8 -61.1 -42.6 -19.5 -0.8 38.0 151 160 A D H X S+ 0 0 100 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.950 110.6 48.7 -61.5 -48.4 -23.1 -1.1 39.0 152 161 A I H X S+ 0 0 40 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.850 112.7 47.1 -60.2 -39.5 -22.9 1.5 41.7 153 162 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.958 113.7 44.6 -70.3 -51.4 -21.2 4.1 39.4 154 163 A L H X S+ 0 0 67 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 117.4 48.1 -58.6 -39.4 -23.4 3.8 36.4 155 164 A N H X S+ 0 0 70 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.948 112.9 44.5 -67.0 -52.4 -26.4 3.8 38.7 156 165 A E H X S+ 0 0 17 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.858 113.6 52.7 -62.0 -35.7 -25.4 6.9 40.7 157 166 A V H >X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.950 105.7 53.9 -64.1 -47.9 -24.4 8.6 37.5 158 167 A K H 3< S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 102.4 59.7 -53.8 -38.4 -27.9 7.9 36.1 159 168 A K H 3< S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.898 104.4 48.0 -59.3 -43.9 -29.4 9.5 39.2 160 169 A V H << S- 0 0 36 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.2 0.961 138.7 -16.0 -61.5 -50.8 -27.7 12.9 38.5 161 170 A D >< - 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