==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 15-APR-11 3RJE . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,S.H.WILSON . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.8 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 8.8 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 . 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.1 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 2 0 1 2 2 0 1 1 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 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 7 A P 0 0 104 0, 0.0 42,-0.0 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 162.9 19.7 -16.3 6.5 2 8 A Q 0 0 78 2,-0.0 3,-2.3 42,-0.0 4,-0.7 -0.582 360.0 360.0 -84.3 360.0 20.7 -17.2 10.1 3 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 10 A T 0 0 143 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -15.5 24.9 -17.6 12.9 5 11 A L - 0 0 51 -3,-2.3 3,-0.1 1,-0.1 4,-0.1 0.994 360.0 -15.6 -67.1 -64.1 26.0 -17.4 9.2 6 12 A N S > S+ 0 0 10 -4,-0.7 4,-2.9 40,-0.1 5,-0.2 0.014 96.3 124.5-131.1 26.3 27.6 -14.0 9.3 7 13 A G H > S+ 0 0 22 1,-0.2 4,-2.4 -5,-0.2 5,-0.2 0.814 74.3 56.1 -57.4 -33.9 26.3 -12.7 12.6 8 14 A G H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 111.4 43.1 -64.6 -44.7 29.8 -12.1 13.9 9 15 A I H > S+ 0 0 2 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.936 115.1 48.1 -66.1 -48.4 30.5 -9.9 10.9 10 16 A T H X S+ 0 0 21 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.874 111.5 49.8 -63.4 -37.6 27.2 -8.0 11.0 11 17 A D H X S+ 0 0 111 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.911 110.9 51.5 -65.6 -41.1 27.5 -7.3 14.7 12 18 A M H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.947 111.2 46.1 -58.9 -51.2 31.0 -6.0 14.2 13 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.892 112.9 50.8 -61.2 -38.5 29.9 -3.7 11.5 14 20 A T H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.887 109.7 49.0 -67.8 -39.6 27.0 -2.5 13.5 15 21 A E H X S+ 0 0 46 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.924 111.4 49.7 -66.0 -42.3 29.1 -1.8 16.6 16 22 A L H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 107.1 57.8 -60.3 -39.7 31.5 0.1 14.4 17 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.925 104.6 49.4 -56.4 -49.3 28.5 2.0 13.0 18 24 A N H X>S+ 0 0 51 -4,-2.0 4,-3.3 1,-0.2 5,-0.5 0.922 108.9 51.3 -59.7 -45.9 27.5 3.3 16.5 19 25 A F H X>S+ 0 0 12 -4,-1.9 5,-2.4 1,-0.2 4,-1.9 0.877 108.8 52.0 -60.5 -37.9 30.9 4.5 17.4 20 26 A E H <5S+ 0 0 29 -4,-2.0 6,-2.6 3,-0.2 5,-0.3 0.944 119.5 36.0 -62.0 -46.4 31.1 6.5 14.1 21 27 A K H <5S+ 0 0 55 -4,-2.2 4,-0.3 4,-0.3 -2,-0.2 0.985 127.8 31.7 -69.7 -60.2 27.8 8.1 14.9 22 28 A N H <5S+ 0 0 5 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.751 134.2 21.9 -74.4 -27.9 27.9 8.5 18.6 23 29 A V T <> + 0 0 27 -6,-2.6 4,-2.2 1,-0.1 3,-0.7 -0.762 23.7 178.9-125.5 79.5 30.5 10.8 11.3 27 33 A I H 3> S+ 0 0 76 -2,-0.4 4,-2.0 1,-0.3 -1,-0.1 0.782 78.1 53.0 -55.1 -33.9 26.9 10.2 10.2 28 34 A H H 3> S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.832 109.1 48.8 -75.3 -30.9 27.8 9.1 6.7 29 35 A K H <> S+ 0 0 121 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.882 108.5 55.9 -72.4 -37.4 30.3 6.5 8.0 30 36 A Y H X S+ 0 0 35 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.939 111.2 43.3 -57.3 -47.1 27.6 5.4 10.4 31 37 A N H X S+ 0 0 66 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.836 109.5 56.2 -71.1 -31.2 25.3 4.8 7.4 32 38 A A H X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.928 109.2 47.1 -65.9 -42.2 28.0 3.1 5.3 33 39 A Y H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.877 112.6 49.2 -65.9 -38.0 28.6 0.5 8.0 34 40 A R H X S+ 0 0 118 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.922 109.9 50.8 -65.7 -45.5 24.9 -0.1 8.4 35 41 A K H X S+ 0 0 128 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.888 112.3 48.0 -58.7 -41.2 24.4 -0.5 4.7 36 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 22,-0.2 -2,-0.2 0.938 112.1 48.1 -65.2 -47.9 27.3 -3.0 4.7 37 43 A A H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.865 112.7 50.4 -60.4 -37.7 25.8 -4.9 7.7 38 44 A S H X S+ 0 0 57 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.936 109.6 47.3 -67.0 -49.7 22.4 -5.0 5.9 39 45 A V H < S+ 0 0 29 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.864 115.8 47.2 -62.5 -33.8 23.7 -6.3 2.6 40 46 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.881 105.4 57.6 -74.2 -39.0 25.7 -9.0 4.5 41 47 A A H 3< S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 108.9 48.0 -59.9 -29.5 22.8 -9.9 6.7 42 48 A K T 3< S+ 0 0 118 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.555 85.3 108.0 -87.9 -10.5 20.8 -10.7 3.6 43 49 A Y < - 0 0 47 -3,-1.1 2,-0.6 -4,-0.4 4,-0.1 -0.581 62.5-150.5 -71.9 117.7 23.7 -12.7 2.0 44 50 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.104 69.4 74.7 -82.5 37.8 22.6 -16.4 2.2 45 51 A H S S- 0 0 107 -2,-0.6 2,-0.8 -44,-0.0 -2,-0.1 -0.996 86.2-110.2-147.8 148.3 26.2 -17.7 2.4 46 52 A K - 0 0 138 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.724 45.4-122.2 -81.4 114.3 28.8 -17.9 5.1 47 53 A I - 0 0 5 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 -0.339 26.6-171.7 -60.5 131.2 31.4 -15.4 3.9 48 54 A K - 0 0 177 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.677 64.1 -0.0 -97.1 -24.8 34.9 -17.0 3.5 49 55 A S > - 0 0 42 1,-0.1 4,-1.5 22,-0.0 -1,-0.2 -0.972 68.5-104.1-157.8 170.8 36.9 -13.8 2.8 50 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.890 117.8 58.6 -67.4 -38.4 36.9 -10.1 2.5 51 57 A A H > S+ 0 0 65 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 103.7 51.2 -57.6 -43.7 37.1 -10.4 -1.3 52 58 A E H >4 S+ 0 0 31 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.907 113.8 45.2 -60.5 -41.5 33.9 -12.4 -1.4 53 59 A A H >< S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 -2,-0.2 0.864 99.2 68.5 -70.8 -36.7 32.2 -9.7 0.6 54 60 A K H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 5,-0.2 0.723 87.3 70.0 -57.1 -20.7 33.6 -6.9 -1.4 55 61 A K T << S+ 0 0 174 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.717 82.2 89.5 -69.9 -20.5 31.4 -8.0 -4.3 56 62 A L S X S- 0 0 25 -3,-2.5 3,-1.9 -4,-0.2 2,-0.4 -0.547 93.6-103.1 -79.6 141.8 28.3 -6.9 -2.4 57 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.500 109.0 27.8 -67.1 120.0 27.2 -3.3 -3.0 58 64 A G T 3 S+ 0 0 34 -2,-0.4 2,-0.6 1,-0.3 -22,-0.2 0.232 94.6 103.3 114.8 -13.3 28.2 -1.3 0.1 59 65 A V < + 0 0 8 -3,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.920 49.6 172.0-104.0 115.5 31.2 -3.3 1.0 60 66 A G > - 0 0 32 -2,-0.6 4,-1.8 -3,-0.1 5,-0.2 -0.293 48.4 -70.2-109.1-163.5 34.5 -1.6 0.0 61 67 A T H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.892 125.0 48.3 -57.0 -47.8 38.2 -2.1 0.5 62 68 A K H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 113.1 45.2 -66.3 -41.5 38.3 -1.2 4.2 63 69 A I H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.834 110.8 55.9 -71.7 -29.3 35.4 -3.4 5.3 64 70 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.952 109.0 47.4 -63.8 -47.3 36.9 -6.2 3.2 65 71 A E H X S+ 0 0 111 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 111.0 50.5 -60.1 -43.1 40.1 -5.8 5.2 66 72 A K H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 108.9 52.5 -64.5 -35.6 38.3 -5.7 8.5 67 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 107.1 52.1 -66.7 -40.6 36.4 -8.9 7.5 68 74 A D H X S+ 0 0 76 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.943 111.2 47.6 -59.7 -46.6 39.7 -10.7 6.7 69 75 A E H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 6,-0.5 0.912 112.1 49.5 -60.7 -43.8 41.0 -9.7 10.1 70 76 A F H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.884 111.2 49.2 -63.0 -39.8 37.8 -10.9 11.8 71 77 A L H < S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.7 42.7 -69.7 -33.9 37.9 -14.2 10.1 72 78 A A H < S+ 0 0 86 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.809 132.1 19.3 -83.6 -30.6 41.5 -15.0 10.9 73 79 A T H < S- 0 0 83 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.541 94.1-122.3-116.6 -12.5 41.5 -13.8 14.5 74 80 A G S < S+ 0 0 53 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.592 86.3 52.1 79.9 8.2 37.9 -13.8 15.6 75 81 A K S S- 0 0 91 -6,-0.5 2,-0.4 -5,-0.0 -2,-0.3 -0.930 76.9-115.9-158.6-178.7 38.1 -10.1 16.5 76 82 A L > - 0 0 5 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.968 15.7-147.2-134.2 116.0 39.1 -6.6 15.3 77 83 A R H > S+ 0 0 189 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.874 98.4 50.3 -49.5 -45.4 41.9 -4.8 17.1 78 84 A K H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 113.3 44.6 -63.5 -40.9 40.3 -1.3 16.6 79 85 A L H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 111.0 54.4 -70.0 -39.9 36.9 -2.4 18.0 80 86 A E H X S+ 0 0 64 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.892 111.5 45.9 -59.4 -41.1 38.5 -4.2 20.9 81 87 A K H X S+ 0 0 125 -4,-2.1 4,-1.0 -5,-0.2 3,-0.4 0.922 112.8 47.2 -69.9 -45.6 40.4 -1.1 21.9 82 88 A I H < S+ 0 0 44 -4,-2.2 3,-0.4 1,-0.2 7,-0.3 0.861 106.3 60.2 -66.9 -31.7 37.4 1.3 21.6 83 89 A R H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 108.2 45.3 -61.2 -34.7 35.3 -1.1 23.6 84 90 A Q H < S+ 0 0 128 -4,-1.0 2,-0.5 -3,-0.4 -1,-0.2 0.654 85.7 108.2 -83.3 -19.0 37.7 -0.8 26.5 85 91 A D X - 0 0 69 -4,-1.0 4,-2.8 -3,-0.4 5,-0.3 -0.493 58.9-155.1 -67.2 115.5 37.9 3.0 26.2 86 92 A D H > S+ 0 0 87 -2,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.875 91.2 46.4 -57.4 -42.4 36.1 4.4 29.2 87 93 A T H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.966 117.5 39.7 -67.2 -54.1 35.4 7.7 27.5 88 94 A S H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 115.2 51.1 -65.2 -41.1 34.2 6.4 24.2 89 95 A S H X S+ 0 0 39 -4,-2.8 4,-1.8 -7,-0.3 -1,-0.2 0.856 112.3 48.8 -66.1 -32.8 32.2 3.5 25.6 90 96 A S H X S+ 0 0 13 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.901 111.0 48.2 -72.9 -42.0 30.4 5.9 27.9 91 97 A I H X S+ 0 0 4 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.965 112.3 49.6 -61.4 -51.6 29.6 8.4 25.2 92 98 A N H < S+ 0 0 29 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.893 111.7 50.2 -53.7 -43.9 28.2 5.7 23.0 93 99 A F H >< S+ 0 0 51 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.911 103.1 57.0 -62.9 -48.4 26.2 4.3 25.9 94 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.782 92.6 69.7 -57.5 -28.9 24.5 7.6 26.9 95 101 A T T 3< S+ 0 0 21 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.638 80.4 77.8 -66.3 -10.2 23.1 8.1 23.4 96 102 A R T < S+ 0 0 124 -3,-2.0 2,-0.6 -4,-0.2 -1,-0.3 0.627 75.9 89.9 -72.4 -10.9 20.8 5.2 24.1 97 103 A V S X S- 0 0 0 -3,-2.1 3,-2.3 -4,-0.2 37,-0.1 -0.776 92.2-116.6 -86.8 123.7 18.8 7.7 26.2 98 104 A S T 3 S+ 0 0 40 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.401 103.0 28.0 -60.3 130.3 16.2 9.3 24.0 99 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.080 98.0 100.1 103.3 -24.3 16.9 13.0 23.8 100 106 A I < + 0 0 5 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.1 -0.870 52.0 175.8 -99.0 112.5 20.7 12.5 24.3 101 107 A G > - 0 0 29 -2,-0.8 4,-2.4 -3,-0.1 5,-0.2 -0.288 51.1 -76.6-100.5-170.1 22.5 12.6 21.0 102 108 A P H > S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 129.7 49.1 -56.1 -39.1 26.2 12.5 20.2 103 109 A S H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.957 113.4 41.9 -68.0 -53.5 26.7 16.1 21.3 104 110 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.898 115.1 53.1 -61.8 -40.2 24.9 16.0 24.7 105 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.926 110.4 46.4 -61.8 -44.3 26.6 12.6 25.4 106 112 A R H X S+ 0 0 125 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.937 112.3 51.4 -62.8 -44.5 30.0 14.0 24.7 107 113 A K H X S+ 0 0 138 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.923 111.2 47.4 -58.2 -46.6 29.2 17.0 26.9 108 114 A F H <>S+ 0 0 10 -4,-2.9 5,-2.8 1,-0.2 3,-0.3 0.938 112.0 48.2 -61.8 -49.3 28.1 14.8 29.8 109 115 A V H ><5S+ 0 0 9 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.882 105.8 60.7 -60.5 -36.2 31.1 12.5 29.6 110 116 A D H 3<5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.906 109.8 40.5 -56.2 -44.5 33.4 15.6 29.5 111 117 A E T 3<5S- 0 0 90 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.227 128.5 -94.6 -91.1 13.9 32.1 16.8 32.9 112 118 A G T < 5S+ 0 0 39 -3,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.456 81.1 133.2 92.7 -0.6 32.1 13.3 34.4 113 119 A I < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.767 19.2 143.2 -87.8 106.4 28.4 12.2 33.8 114 120 A K + 0 0 62 -2,-1.0 2,-0.2 -3,-0.1 -1,-0.2 0.585 49.1 47.5-120.4 -16.1 28.9 8.6 32.4 115 121 A T S > S- 0 0 45 1,-0.1 4,-2.3 -22,-0.1 5,-0.2 -0.773 81.9-107.7-126.1 170.5 26.1 6.4 33.7 116 122 A L H > S+ 0 0 39 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.916 122.6 55.4 -61.9 -40.2 22.3 6.4 34.1 117 123 A E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 106.1 50.5 -57.3 -45.9 23.0 6.8 37.8 118 124 A D H 4 S+ 0 0 32 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.930 110.8 48.6 -58.4 -44.6 25.1 9.8 37.1 119 125 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.919 106.8 57.3 -61.4 -41.3 22.2 11.2 35.0 120 126 A R H >< S+ 0 0 175 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.871 106.4 49.6 -56.0 -38.4 19.8 10.4 37.8 121 127 A K T 3< S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.493 110.4 52.3 -80.2 -4.7 21.9 12.6 40.1 122 128 A N T X + 0 0 34 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.2 -0.306 57.8 145.3-131.0 54.1 21.9 15.5 37.7 123 129 A E G X + 0 0 116 -3,-0.5 3,-2.6 1,-0.3 -1,-0.1 0.892 69.4 63.6 -54.8 -46.3 18.3 16.2 36.7 124 130 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.596 99.6 55.4 -59.4 -9.9 18.9 20.0 36.4 125 131 A K G < S+ 0 0 98 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.3 0.431 94.2 84.5-101.1 -1.5 21.3 19.4 33.6 126 132 A L S < S- 0 0 7 -3,-2.6 -26,-0.0 -4,-0.2 2,-0.0 -0.848 73.3-135.0-103.9 135.5 18.8 17.4 31.5 127 133 A N > - 0 0 86 -2,-0.4 4,-1.9 -28,-0.1 5,-0.2 -0.277 39.3 -90.9 -77.9 173.8 16.2 19.0 29.2 128 134 A H H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.887 125.3 48.7 -52.5 -46.9 12.5 17.8 29.3 129 135 A H H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.940 110.4 50.7 -60.7 -48.8 13.0 15.2 26.6 130 136 A Q H > S+ 0 0 13 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.833 106.3 55.5 -59.4 -35.2 16.1 13.7 28.2 131 137 A R H X S+ 0 0 96 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.895 111.0 44.6 -65.3 -40.5 14.4 13.4 31.5 132 138 A I H X S+ 0 0 7 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.890 111.0 53.8 -70.7 -39.0 11.6 11.3 29.9 133 139 A G H < S+ 0 0 0 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.905 113.1 44.0 -60.9 -39.6 14.1 9.3 28.0 134 140 A L H >< S+ 0 0 31 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.941 109.7 55.8 -68.7 -49.2 15.9 8.5 31.3 135 141 A K H 3< S+ 0 0 139 -4,-2.7 -2,-0.2 1,-0.3 3,-0.2 0.863 121.6 28.1 -52.3 -41.7 12.6 7.8 33.1 136 142 A Y T 3X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.011 79.9 133.1-111.6 28.8 11.6 5.2 30.6 137 143 A F H <> S+ 0 0 26 -3,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.891 79.4 38.4 -43.8 -53.6 15.1 4.1 29.5 138 144 A G H >4 S+ 0 0 41 -4,-0.3 3,-0.8 -3,-0.2 4,-0.3 0.919 114.5 51.9 -67.1 -47.2 14.2 0.4 29.8 139 145 A D H >4 S+ 0 0 35 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.911 105.9 55.3 -57.6 -44.9 10.7 0.5 28.4 140 146 A F H 3< S+ 0 0 43 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.758 104.3 54.7 -61.6 -24.7 11.7 2.4 25.3 141 147 A E T << S+ 0 0 97 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.3 0.454 92.5 91.2 -88.7 0.6 14.3 -0.4 24.5 142 148 A K S < S- 0 0 101 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.0 -0.724 76.4-127.0 -93.6 144.8 11.5 -3.0 24.7 143 149 A R - 0 0 139 -2,-0.3 40,-0.2 104,-0.1 -2,-0.1 -0.407 18.7-118.9 -85.5 167.8 9.6 -4.0 21.5 144 150 A I E -A 182 0A 1 38,-3.6 38,-2.6 -2,-0.1 40,-0.1 -0.928 21.0-132.0-112.8 116.1 5.9 -4.0 21.2 145 151 A P E >> -A 181 0A 53 0, 0.0 4,-1.9 0, 0.0 3,-1.5 -0.375 23.9-117.8 -64.3 142.6 4.1 -7.2 20.4 146 152 A R H 3> S+ 0 0 77 34,-2.7 4,-2.4 1,-0.3 5,-0.2 0.815 113.8 61.9 -50.4 -34.4 1.5 -6.9 17.6 147 153 A E H 3> S+ 0 0 112 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.870 106.6 43.8 -61.4 -37.9 -1.2 -7.9 20.1 148 154 A E H <> S+ 0 0 30 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.844 110.1 56.3 -75.4 -34.0 -0.5 -4.8 22.2 149 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.894 105.7 51.2 -62.9 -41.0 -0.3 -2.7 19.1 150 156 A L H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 111.2 47.7 -62.8 -42.9 -3.8 -3.8 18.1 151 157 A Q H X S+ 0 0 55 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.853 112.0 50.1 -64.8 -35.7 -5.0 -2.8 21.6 152 158 A M H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 110.5 50.0 -67.9 -43.5 -3.2 0.5 21.2 153 159 A Q H X S+ 0 0 45 -4,-2.9 4,-3.1 1,-0.2 5,-0.4 0.892 104.1 58.4 -60.9 -44.3 -4.8 1.1 17.8 154 160 A D H X S+ 0 0 104 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.915 109.7 44.7 -52.4 -45.8 -8.3 0.3 19.2 155 161 A I H X S+ 0 0 39 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.915 113.8 48.5 -67.6 -43.7 -7.9 3.1 21.7 156 162 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.926 114.1 44.7 -63.9 -45.9 -6.5 5.6 19.2 157 163 A L H X S+ 0 0 68 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.891 115.4 49.3 -67.0 -37.7 -9.1 5.0 16.5 158 164 A N H X S+ 0 0 92 -4,-1.9 4,-1.6 -5,-0.4 -2,-0.2 0.937 113.8 43.0 -66.7 -49.4 -11.9 5.1 19.1 159 165 A E H X S+ 0 0 14 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.892 113.5 52.0 -65.9 -39.7 -10.8 8.3 20.8 160 166 A V H >X S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.3 3,-0.6 0.957 111.2 46.3 -60.9 -51.3 -10.1 10.1 17.6 161 167 A K H 3< S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 109.1 58.0 -60.8 -30.4 -13.5 9.3 16.1 162 168 A K H 3< S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 105.6 48.5 -68.8 -34.1 -15.0 10.4 19.5 163 169 A V H << S- 0 0 39 -4,-1.6 2,-0.3 -3,-0.6 -2,-0.2 0.918 140.6 -13.4 -70.5 -45.7 -13.4 13.9 19.1 164 170 A D >< - 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