==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 27-MAR-13 4JWM . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,L.PERERA,L.PING,D.D.SHOCK,W.A.BEARD,L.C.PEDERSEN, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17554.0 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 . 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 . 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 2 1 1 2 3 0 1 0 1 1 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 0 177 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 26.3 9.4 -15.5 11.8 2 11 A L T 3 + 0 0 103 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.764 360.0 26.2 -59.9 -26.8 11.2 -17.8 9.5 3 12 A N T 3> S+ 0 0 17 35,-0.1 4,-2.5 40,-0.1 3,-0.4 -0.086 78.8 135.5-129.1 33.5 14.4 -15.8 10.0 4 13 A G H <> S+ 0 0 22 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 0.828 71.5 55.7 -51.5 -39.6 13.7 -14.2 13.4 5 14 A G H > S+ 0 0 36 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 111.3 43.2 -61.9 -45.1 17.3 -14.9 14.6 6 15 A I H > S+ 0 0 5 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.903 114.4 48.6 -68.3 -43.7 18.8 -13.0 11.7 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.887 110.5 51.5 -66.5 -36.6 16.4 -10.1 11.8 8 17 A D H X S+ 0 0 112 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.942 109.7 51.2 -63.0 -45.4 16.9 -9.7 15.5 9 18 A M H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.910 111.8 45.5 -56.3 -47.0 20.7 -9.7 15.0 10 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.854 111.7 52.5 -67.5 -35.1 20.5 -7.0 12.3 11 20 A T H X S+ 0 0 61 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 108.7 50.1 -67.8 -41.2 18.1 -4.9 14.4 12 21 A E H X S+ 0 0 64 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.916 112.2 48.1 -63.0 -39.7 20.6 -5.1 17.3 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 110.3 51.9 -66.7 -39.7 23.3 -4.0 15.0 14 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 110.4 48.2 -61.0 -46.3 21.1 -1.2 13.7 15 24 A N H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.860 109.3 53.8 -63.3 -35.9 20.4 0.0 17.2 16 25 A F H X>S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.2 5,-1.8 0.947 110.7 45.3 -63.5 -48.7 24.1 -0.1 18.1 17 26 A E H <>S+ 0 0 7 -4,-2.3 6,-2.5 3,-0.2 5,-1.0 0.893 118.4 42.7 -63.1 -41.4 25.1 2.1 15.1 18 27 A K H <5S+ 0 0 66 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.961 125.2 31.8 -69.0 -52.6 22.3 4.6 15.8 19 28 A N H <5S+ 0 0 13 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.872 135.2 18.3 -76.3 -42.3 22.7 4.8 19.6 20 29 A V T <5S+ 0 0 10 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.896 132.4 35.4 -97.9 -53.7 26.4 4.2 20.2 21 30 A S T > - 0 0 29 -6,-2.5 4,-2.0 1,-0.1 3,-1.0 -0.730 27.6-178.2-120.4 77.1 26.1 6.5 12.3 24 33 A I H 3> S+ 0 0 79 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.759 77.4 55.7 -50.1 -34.2 22.5 6.9 11.0 25 34 A H H 3> S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.872 108.4 47.2 -71.0 -35.5 23.2 5.5 7.5 26 35 A K H <> S+ 0 0 118 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.880 110.3 55.1 -69.3 -37.6 24.5 2.3 8.9 27 36 A Y H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.937 111.9 42.2 -58.6 -47.9 21.5 2.2 11.2 28 37 A N H X S+ 0 0 39 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.846 110.1 57.8 -69.5 -33.7 19.2 2.5 8.1 29 38 A A H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.961 109.6 44.4 -60.4 -50.5 21.3 0.0 6.2 30 39 A Y H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.898 113.0 50.6 -61.3 -42.2 20.8 -2.6 8.8 31 40 A R H X S+ 0 0 69 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.888 109.6 50.7 -64.0 -39.1 17.0 -1.8 9.2 32 41 A K H X S+ 0 0 106 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.891 112.2 47.7 -65.0 -39.6 16.6 -2.1 5.4 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 22,-0.2 5,-0.2 0.933 111.7 48.9 -66.8 -46.5 18.3 -5.5 5.4 34 43 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 111.4 52.5 -58.6 -42.1 16.3 -6.7 8.3 35 44 A S H X S+ 0 0 10 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.944 110.1 43.9 -60.8 -52.2 13.1 -5.6 6.6 36 45 A V H X S+ 0 0 14 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.849 116.7 48.2 -64.9 -32.8 13.7 -7.3 3.3 37 46 A I H < S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.846 104.1 61.4 -74.6 -33.2 14.8 -10.5 5.1 38 47 A A H < S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 111.5 38.1 -63.8 -27.3 11.7 -10.3 7.3 39 48 A K H < S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.576 84.3 115.6-100.1 -10.8 9.5 -10.6 4.3 40 49 A Y < - 0 0 47 -4,-0.8 4,-0.1 -3,-0.3 -38,-0.1 -0.465 63.8-143.3 -60.1 116.0 11.7 -13.2 2.4 41 50 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.162 71.3 75.3 -72.0 19.3 9.3 -16.2 2.3 42 51 A H S S- 0 0 106 -2,-0.1 2,-0.7 -39,-0.0 -2,-0.1 -0.963 86.9-110.4-132.6 149.9 12.1 -18.8 2.8 43 52 A K - 0 0 153 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.698 47.3-121.0 -76.9 114.3 14.2 -19.9 5.8 44 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.329 30.9-176.9 -61.3 134.9 17.6 -18.6 4.8 45 54 A K + 0 0 168 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.532 63.0 8.1-109.2 -12.1 20.4 -21.2 4.5 46 55 A S > - 0 0 37 1,-0.1 4,-1.9 22,-0.0 -1,-0.2 -0.994 65.9-112.0-163.7 163.4 23.4 -19.0 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.845 116.6 59.5 -67.8 -33.3 24.8 -15.5 3.5 48 57 A A H > S+ 0 0 68 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.926 105.8 47.3 -59.7 -46.3 25.1 -16.0 -0.3 49 58 A E H >4 S+ 0 0 37 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.921 113.5 48.4 -61.2 -45.3 21.3 -16.6 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.886 101.3 64.4 -62.5 -40.1 20.7 -13.6 1.6 51 60 A K H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.682 87.4 71.1 -59.9 -17.9 23.0 -11.5 -0.5 52 61 A K T << S+ 0 0 182 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.797 84.3 86.6 -68.9 -25.7 20.7 -11.9 -3.5 53 62 A L S X S- 0 0 29 -3,-2.0 3,-1.4 -4,-0.4 2,-0.4 -0.460 92.8-105.6 -76.3 145.7 18.2 -9.6 -1.7 54 63 A P T 3 S+ 0 0 103 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.581 107.2 31.0 -73.9 123.7 18.5 -5.8 -2.2 55 64 A G T 3 S+ 0 0 38 -2,-0.4 2,-0.6 1,-0.2 -22,-0.2 0.120 96.4 100.5 115.0 -18.5 19.9 -4.2 0.9 56 65 A V < + 0 0 8 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.897 50.4 169.2-103.6 114.9 22.0 -7.2 1.8 57 66 A G > - 0 0 32 -2,-0.6 4,-2.1 -3,-0.1 5,-0.1 -0.217 50.7 -72.0-107.7-159.9 25.7 -6.8 0.8 58 67 A T H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 125.9 50.7 -63.8 -47.6 29.0 -8.6 1.5 59 68 A K H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 114.7 42.1 -58.3 -51.3 29.3 -7.5 5.1 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 110.9 57.8 -65.4 -35.5 25.9 -8.6 6.1 61 70 A A H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.933 107.4 47.6 -58.8 -46.4 26.2 -11.8 4.1 62 71 A E H X S+ 0 0 104 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 111.0 50.6 -60.9 -45.3 29.3 -12.7 6.2 63 72 A K H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.882 107.6 54.2 -61.4 -38.0 27.6 -11.9 9.4 64 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 107.9 49.5 -64.6 -39.4 24.7 -14.1 8.4 65 74 A D H X S+ 0 0 74 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 111.0 49.5 -65.2 -42.2 27.0 -17.0 7.8 66 75 A E H X S+ 0 0 38 -4,-2.3 4,-2.7 1,-0.2 6,-0.5 0.952 113.1 47.0 -60.8 -47.7 28.6 -16.5 11.2 67 76 A F H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.878 113.1 48.7 -60.8 -40.4 25.2 -16.4 12.8 68 77 A L H < S+ 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 115.7 43.3 -67.3 -40.9 24.0 -19.5 11.0 69 78 A A H < S+ 0 0 86 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.873 132.6 18.2 -73.9 -37.8 27.1 -21.5 11.8 70 79 A T H < S- 0 0 76 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.605 94.2-120.9-111.9 -16.0 27.4 -20.5 15.5 71 80 A G S < S+ 0 0 49 -4,-2.4 2,-0.3 -5,-0.5 -4,-0.2 0.576 86.8 50.5 85.0 8.1 24.0 -19.1 16.5 72 81 A K S S- 0 0 87 -6,-0.5 2,-0.4 -5,-0.0 -2,-0.3 -0.945 76.7-114.2-161.1 179.8 25.6 -15.8 17.4 73 82 A L > - 0 0 4 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.978 10.2-150.9-133.1 119.3 27.8 -12.9 16.3 74 83 A R H > S+ 0 0 171 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.876 98.5 59.6 -53.6 -42.3 31.1 -12.1 18.1 75 84 A K H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.2 40.1 -54.2 -45.9 30.8 -8.5 17.2 76 85 A L H > S+ 0 0 3 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.826 109.3 61.0 -73.0 -33.1 27.5 -8.3 19.2 77 86 A E H X S+ 0 0 81 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.936 109.7 42.1 -57.8 -47.2 28.9 -10.5 21.9 78 87 A K H >X S+ 0 0 165 -4,-2.5 4,-1.4 2,-0.2 3,-0.9 0.937 110.8 55.5 -65.9 -48.2 31.6 -7.9 22.6 79 88 A I H >< S+ 0 0 18 -4,-2.0 3,-0.8 1,-0.3 7,-0.3 0.913 105.7 52.6 -51.4 -45.2 29.2 -5.0 22.3 80 89 A R H 3< S+ 0 0 101 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.802 109.2 50.3 -62.1 -29.6 27.0 -6.5 25.0 81 90 A Q H << S+ 0 0 148 -4,-1.0 2,-0.7 -3,-0.9 -1,-0.3 0.683 86.7 97.7 -82.4 -18.8 30.0 -6.8 27.3 82 91 A D S+ 0 0 125 -2,-0.7 4,-2.8 2,-0.2 5,-0.2 0.891 89.7 50.3 -57.9 -43.6 29.6 -1.3 29.7 84 93 A T H > S+ 0 0 60 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.964 113.4 44.9 -60.8 -52.6 29.7 2.1 28.0 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.931 115.0 48.9 -55.3 -48.5 27.8 0.8 24.9 86 95 A S H X S+ 0 0 45 -4,-2.8 4,-2.1 -7,-0.3 -1,-0.2 0.884 112.9 47.1 -59.6 -42.9 25.4 -1.1 27.1 87 96 A S H X S+ 0 0 19 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.953 113.6 47.1 -65.3 -50.0 24.7 2.0 29.3 88 97 A I H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.893 111.9 51.2 -60.1 -40.2 24.3 4.3 26.3 89 98 A N H < S+ 0 0 39 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.2 0.901 110.4 49.9 -64.8 -39.8 22.0 1.8 24.6 90 99 A F H >< S+ 0 0 50 -4,-2.1 3,-2.2 -5,-0.2 4,-0.2 0.948 106.2 53.3 -63.7 -50.3 19.8 1.5 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 6,-0.2 0.809 98.6 64.1 -57.0 -32.8 19.4 5.3 28.3 92 101 A T T 3< S+ 0 0 26 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.621 86.4 74.7 -68.0 -9.4 18.1 5.8 24.7 93 102 A R T < S+ 0 0 127 -3,-2.2 2,-0.5 -4,-0.3 -1,-0.3 0.664 77.6 88.7 -76.4 -14.0 15.1 3.6 25.7 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.3 -4,-0.2 37,-0.1 -0.737 94.2-110.8 -85.2 125.9 13.8 6.5 27.7 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.365 104.3 24.8 -58.4 127.9 11.6 8.7 25.5 96 105 A G T 3 S+ 0 0 34 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.180 96.8 102.0 102.7 -18.8 13.4 12.0 24.9 97 106 A I < + 0 0 5 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.1 -0.891 51.1 177.6-102.4 110.3 16.9 10.7 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.4 -3,-0.1 5,-0.2 -0.293 48.8 -77.3 -98.6-171.5 18.6 10.2 22.2 99 108 A P H > S+ 0 0 20 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.849 128.9 49.5 -54.9 -39.3 22.2 9.1 21.3 100 109 A S H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.955 113.8 42.7 -68.5 -50.3 23.6 12.5 22.2 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.840 111.8 55.2 -65.8 -34.9 22.0 12.9 25.6 102 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.931 109.0 46.8 -65.1 -44.0 22.7 9.2 26.6 103 112 A R H X S+ 0 0 84 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.865 113.2 50.5 -65.7 -34.8 26.4 9.6 25.9 104 113 A K H X S+ 0 0 131 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.951 110.2 48.2 -67.4 -49.6 26.4 12.9 27.8 105 114 A F H <>S+ 0 0 11 -4,-2.9 5,-3.1 1,-0.2 4,-0.3 0.914 110.5 52.1 -57.1 -44.4 24.6 11.4 30.8 106 115 A V H ><5S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.891 107.3 52.1 -60.3 -39.5 27.0 8.4 30.8 107 116 A D H 3<5S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.4 53.4 -62.6 -37.7 30.0 10.9 30.9 108 117 A E T 3<5S- 0 0 89 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.483 126.1-106.5 -74.2 -4.3 28.3 12.6 33.8 109 118 A G T < 5S+ 0 0 46 -3,-1.4 2,-0.8 -4,-0.3 -3,-0.2 0.522 81.2 130.7 89.7 5.9 28.2 9.1 35.5 110 119 A I < + 0 0 6 -5,-3.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.832 15.6 134.3 -94.9 108.3 24.5 8.7 35.0 111 120 A K + 0 0 74 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.313 48.3 62.0-140.7 13.3 23.9 5.3 33.5 112 121 A T S > S- 0 0 56 1,-0.1 4,-2.5 -22,-0.1 5,-0.2 -0.889 81.5-108.5-136.8 168.7 21.1 3.5 35.3 113 122 A L H > S+ 0 0 42 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.911 122.7 50.3 -61.1 -42.0 17.3 3.9 35.9 114 123 A E H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 108.8 51.7 -62.6 -43.0 18.2 4.7 39.6 115 124 A D H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.922 109.4 49.8 -60.2 -46.1 20.7 7.3 38.5 116 125 A L H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 6,-0.2 0.920 109.2 51.9 -58.7 -45.7 18.2 9.0 36.2 117 126 A R H >< S+ 0 0 156 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.795 109.8 48.6 -63.4 -30.0 15.6 9.1 39.0 118 127 A K H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.682 117.0 43.8 -83.0 -17.7 18.1 10.7 41.4 119 128 A N T X< + 0 0 29 -4,-1.2 3,-2.5 -3,-0.6 -1,-0.2 -0.069 68.3 131.2-117.0 31.8 19.0 13.3 38.7 120 129 A E G X + 0 0 76 -3,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.758 65.7 69.5 -55.1 -26.1 15.5 14.1 37.5 121 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.654 93.5 57.5 -69.4 -13.4 16.4 17.8 37.8 122 131 A K G < S+ 0 0 91 -3,-2.5 2,-0.3 -6,-0.2 -1,-0.3 0.407 91.0 91.8 -95.9 1.7 18.8 17.3 34.8 123 132 A L S < S- 0 0 13 -3,-1.6 -26,-0.0 -4,-0.2 2,-0.0 -0.756 72.8-129.0 -99.5 142.5 16.1 16.1 32.5 124 133 A N > - 0 0 86 -2,-0.3 4,-2.6 -28,-0.1 5,-0.2 -0.270 42.0 -89.3 -77.3 174.8 14.0 18.3 30.1 125 134 A H H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 126.0 47.5 -52.5 -50.5 10.2 18.0 30.2 126 135 A H H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.962 113.4 47.9 -56.4 -54.2 10.0 15.2 27.6 127 136 A Q H > S+ 0 0 15 -31,-0.3 4,-2.5 1,-0.2 5,-0.2 0.889 108.4 56.4 -55.1 -41.3 12.7 13.1 29.2 128 137 A R H X S+ 0 0 93 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.908 110.2 43.2 -59.3 -43.5 11.0 13.6 32.6 129 138 A I H X S+ 0 0 9 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.885 112.1 54.8 -70.4 -36.7 7.7 12.1 31.3 130 139 A G H < S+ 0 0 1 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.881 110.9 44.8 -62.7 -38.4 9.6 9.4 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 0.906 108.6 57.7 -70.5 -42.3 11.3 8.4 32.8 132 141 A K H 3< S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.3 3,-0.2 0.866 118.9 30.3 -55.2 -41.0 8.1 8.6 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-1.9 4,-3.1 1,-0.2 -1,-0.3 0.030 79.3 128.5-110.7 27.4 6.4 6.0 32.4 134 143 A F H <> S+ 0 0 26 -3,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.931 77.8 44.0 -46.8 -57.7 9.5 4.0 31.5 135 144 A G H >> S+ 0 0 36 -4,-0.3 3,-2.0 1,-0.2 4,-0.8 0.957 115.2 46.7 -53.5 -57.9 7.8 0.7 32.4 136 145 A D H >4 S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.906 106.3 58.1 -53.0 -45.8 4.5 1.4 30.8 137 146 A F H 3< S+ 0 0 29 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.606 100.2 60.8 -63.8 -7.8 6.1 2.7 27.6 138 147 A E H << S+ 0 0 93 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.740 89.2 88.7 -87.4 -26.6 7.7 -0.7 27.3 139 148 A K S << S- 0 0 105 -3,-1.6 2,-0.1 -4,-0.8 -3,-0.0 -0.454 75.7-127.2 -77.1 145.6 4.4 -2.5 27.2 140 149 A R - 0 0 142 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.393 20.4-120.2 -82.7 165.0 2.6 -3.2 23.9 141 150 A I E -A 179 0A 0 38,-2.1 38,-2.1 -2,-0.1 40,-0.1 -0.927 21.0-133.2-112.8 113.4 -1.1 -2.2 23.3 142 151 A P E >> -A 178 0A 59 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.378 20.9-122.5 -62.1 141.1 -3.5 -5.1 22.5 143 152 A R H 3> S+ 0 0 62 34,-2.4 4,-2.5 1,-0.3 5,-0.2 0.844 112.5 66.1 -52.8 -32.7 -5.7 -4.2 19.6 144 153 A E H 3> S+ 0 0 140 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.912 105.7 41.6 -55.8 -43.2 -8.6 -4.8 21.9 145 154 A E H <> S+ 0 0 29 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.838 108.9 58.9 -72.7 -34.4 -7.5 -1.8 23.9 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.872 104.4 52.7 -61.4 -36.4 -6.7 0.2 20.8 147 156 A L H X S+ 0 0 69 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 110.2 46.2 -65.7 -42.7 -10.3 -0.2 19.8 148 157 A Q H X S+ 0 0 77 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.890 113.5 50.1 -65.4 -39.5 -11.5 1.1 23.2 149 158 A M H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 109.4 51.3 -65.6 -40.8 -9.0 4.0 22.8 150 159 A Q H X S+ 0 0 52 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.916 107.1 53.7 -62.2 -44.1 -10.3 4.7 19.3 151 160 A D H X S+ 0 0 100 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.910 110.7 46.3 -58.2 -45.5 -13.9 4.8 20.6 152 161 A I H X S+ 0 0 34 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.969 114.1 46.5 -62.5 -55.3 -13.1 7.4 23.2 153 162 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.919 114.3 46.7 -55.4 -49.7 -11.0 9.7 21.0 154 163 A L H X S+ 0 0 62 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.928 115.6 45.4 -61.2 -44.7 -13.6 9.7 18.1 155 164 A N H X S+ 0 0 58 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.888 114.3 47.9 -66.6 -39.3 -16.5 10.3 20.4 156 165 A E H X S+ 0 0 19 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.866 112.3 49.1 -69.8 -35.9 -14.7 13.1 22.4 157 166 A V H X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.3 3,-0.5 0.912 108.9 53.3 -68.3 -41.2 -13.6 14.8 19.2 158 167 A K H < S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 104.9 56.1 -59.1 -40.0 -17.2 14.6 17.8 159 168 A K H < S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 106.7 49.1 -62.5 -32.7 -18.3 16.3 21.0 160 169 A V H < S- 0 0 40 -4,-1.1 2,-0.2 -3,-0.5 -1,-0.2 0.905 138.2 -16.0 -73.2 -43.0 -15.9 19.2 20.4 161 170 A D >< - 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