==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,TRANSFERASE/DNA 27-JAN-10 3LK9 . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZIBINSKY,G.K.SURYA PRAKASH,T.G.UPTON,B.A.KASHEMIROV,C.E.MC . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.9 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 . 1 0.3 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 . 40 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.1 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 0 1 1 2 2 1 1 0 1 1 2 1 0 0 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 0 182 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -26.5 9.2 -15.0 12.7 2 11 A L T 3 + 0 0 81 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.780 360.0 19.4 -49.3 -36.1 10.4 -17.2 9.9 3 12 A N T >> S+ 0 0 12 35,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.070 84.4 140.9-126.5 31.5 13.9 -15.6 10.0 4 13 A G H <> + 0 0 18 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.789 66.1 56.7 -43.5 -42.8 13.6 -14.1 13.5 5 14 A G H 3> S+ 0 0 34 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.944 111.4 40.9 -58.8 -50.8 17.2 -14.9 14.5 6 15 A I H <> S+ 0 0 7 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.934 116.0 48.9 -64.3 -48.8 18.8 -13.1 11.6 7 16 A T H X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 110.4 51.2 -60.4 -43.8 16.4 -10.1 11.7 8 17 A D H X S+ 0 0 98 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.919 110.0 50.4 -57.5 -44.6 16.9 -9.7 15.4 9 18 A M H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.883 111.5 47.7 -60.8 -40.3 20.6 -9.7 14.9 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.850 111.9 51.3 -69.6 -32.4 20.3 -7.1 12.2 11 20 A T H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.874 109.7 47.9 -71.6 -39.5 18.0 -5.1 14.6 12 21 A E H X S+ 0 0 75 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.910 112.6 51.2 -67.0 -39.3 20.5 -5.2 17.4 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.946 111.3 46.8 -61.9 -45.0 23.1 -4.2 14.9 14 23 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.878 110.1 51.6 -65.5 -40.7 21.0 -1.2 13.8 15 24 A N H X S+ 0 0 66 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.876 111.6 49.6 -64.9 -34.6 20.1 -0.1 17.3 16 25 A F H X>S+ 0 0 26 -4,-1.9 4,-2.8 2,-0.2 5,-1.6 0.962 108.8 48.3 -68.3 -54.2 23.9 -0.1 18.1 17 26 A E H <5S+ 0 0 9 -4,-2.3 6,-2.9 3,-0.2 5,-0.3 0.875 120.2 42.0 -54.8 -36.5 25.1 1.9 15.1 18 27 A K H <5S+ 0 0 71 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.958 122.9 33.8 -75.5 -53.8 22.4 4.4 15.9 19 28 A N H <5S+ 0 0 11 -4,-3.2 84,-0.2 -5,-0.2 -3,-0.2 0.873 135.4 18.3 -72.3 -40.2 22.6 4.6 19.7 20 29 A V T <5S+ 0 0 13 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.895 132.6 35.7 -98.6 -54.9 26.3 4.2 20.2 21 30 A S S > - 0 0 27 -6,-2.9 4,-2.1 1,-0.1 3,-0.5 -0.813 26.7-175.2-115.0 82.5 25.9 6.4 12.4 24 33 A I H 3> S+ 0 0 84 -2,-0.6 4,-1.6 1,-0.2 -1,-0.1 0.739 79.0 50.3 -55.5 -26.9 22.4 7.1 11.1 25 34 A H H 3> S+ 0 0 147 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.856 108.7 49.1 -83.1 -34.2 23.0 5.5 7.7 26 35 A K H <> S+ 0 0 118 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.849 109.8 55.4 -70.2 -32.1 24.4 2.2 9.0 27 36 A Y H X S+ 0 0 27 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.966 112.3 41.9 -61.1 -50.1 21.4 2.2 11.3 28 37 A N H X S+ 0 0 35 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.871 109.9 57.3 -65.7 -38.6 19.1 2.5 8.3 29 38 A A H X S+ 0 0 53 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.951 108.9 45.6 -57.2 -51.1 21.1 -0.0 6.2 30 39 A Y H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.817 111.8 53.7 -61.9 -32.6 20.7 -2.8 8.8 31 40 A R H X S+ 0 0 46 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.887 107.3 49.0 -71.0 -40.6 17.0 -1.9 9.1 32 41 A K H X S+ 0 0 97 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.965 113.4 47.4 -63.1 -49.8 16.4 -2.3 5.4 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 22,-0.3 5,-0.3 0.927 112.2 49.8 -55.8 -47.9 18.2 -5.6 5.4 34 43 A A H X S+ 0 0 9 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.894 114.3 46.3 -57.7 -40.6 16.2 -6.7 8.4 35 44 A S H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.920 113.0 47.7 -68.6 -45.5 13.0 -5.6 6.7 36 45 A V H < S+ 0 0 22 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.9 45.3 -63.1 -44.1 13.9 -7.3 3.4 37 46 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 -5,-0.2 -1,-0.2 0.815 106.3 63.4 -69.2 -31.1 14.9 -10.6 5.1 38 47 A A H 3< S+ 0 0 60 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.921 107.2 40.1 -59.7 -46.5 11.7 -10.3 7.2 39 48 A K T 3< S+ 0 0 122 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.216 85.6 119.8 -89.7 15.2 9.4 -10.6 4.3 40 49 A Y < - 0 0 44 -3,-1.2 2,-0.2 1,-0.1 4,-0.1 -0.744 59.6-146.6 -82.3 117.3 11.5 -13.2 2.5 41 50 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.106 73.2 71.8 -72.9 21.5 9.2 -16.3 2.2 42 51 A H S S- 0 0 105 -2,-0.2 2,-1.8 -39,-0.0 -2,-0.1 -0.991 88.3-112.5-139.0 145.9 12.1 -18.8 2.6 43 52 A K - 0 0 163 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.568 48.1-121.0 -79.7 83.3 14.1 -19.9 5.6 44 53 A I - 0 0 5 -2,-1.8 3,-0.1 -7,-0.2 -1,-0.1 0.170 28.4-170.8 -26.5 124.5 17.5 -18.4 4.5 45 54 A K + 0 0 177 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.610 63.4 11.2 -99.2 -17.2 20.1 -21.1 4.2 46 55 A S > - 0 0 40 1,-0.1 4,-1.6 22,-0.0 3,-0.4 -0.998 63.7-117.4-159.2 161.4 23.2 -18.9 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.839 116.6 59.2 -68.0 -31.6 24.6 -15.4 3.7 48 57 A A H 4 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.787 106.3 48.1 -66.5 -27.8 25.3 -15.9 -0.0 49 58 A E H >4 S+ 0 0 23 -3,-0.4 3,-0.6 2,-0.2 -1,-0.2 0.827 107.5 53.8 -79.8 -36.1 21.5 -16.4 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 6,-0.2 0.866 99.3 63.4 -65.5 -35.6 20.6 -13.4 1.6 51 60 A K T 3< S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.3 5,-0.2 0.788 84.4 75.5 -59.4 -27.0 22.8 -11.3 -0.7 52 61 A K T < S+ 0 0 156 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.518 87.8 81.0 -64.0 -0.9 20.5 -12.2 -3.5 53 62 A L S X S- 0 0 27 -3,-2.2 3,-1.8 3,-0.1 2,-0.2 -0.887 92.8-110.5-110.6 140.3 18.3 -9.6 -1.7 54 63 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.487 106.1 34.6 -66.9 128.6 18.6 -5.8 -2.2 55 64 A G T 3 S+ 0 0 40 1,-0.3 2,-0.6 -2,-0.2 -22,-0.3 0.183 96.7 97.1 110.3 -15.8 19.9 -4.3 1.0 56 65 A V < + 0 0 10 -3,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.944 50.0 165.8-108.6 119.3 22.1 -7.2 1.8 57 66 A G > - 0 0 34 -2,-0.6 4,-1.4 -3,-0.1 -4,-0.1 -0.247 54.6 -70.7-112.0-156.1 25.6 -6.7 0.8 58 67 A T H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.932 124.7 55.6 -66.8 -49.6 28.9 -8.5 1.6 59 68 A K H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.927 111.8 40.3 -51.2 -56.8 29.1 -7.3 5.2 60 69 A I H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 111.6 61.1 -63.0 -35.0 25.7 -8.6 6.3 61 70 A A H X S+ 0 0 8 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.966 105.1 45.9 -54.6 -55.7 26.4 -11.7 4.3 62 71 A E H >X S+ 0 0 119 -4,-2.8 4,-2.9 1,-0.2 3,-0.7 0.954 113.3 49.8 -52.0 -54.1 29.4 -12.6 6.3 63 72 A K H 3X S+ 0 0 33 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.835 107.2 54.1 -54.8 -37.8 27.6 -11.9 9.6 64 73 A I H 3X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.3 0.867 110.1 48.5 -66.7 -33.7 24.7 -14.0 8.5 65 74 A D H S+ 0 0 49 -4,-2.9 6,-0.7 1,-0.2 5,-0.7 0.817 117.3 44.1 -54.7 -30.4 28.8 -16.2 11.3 67 76 A F H X5S+ 0 0 41 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.943 110.8 49.2 -80.3 -52.8 25.2 -16.3 12.8 68 77 A L H <5S+ 0 0 73 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.859 117.9 46.8 -53.9 -37.5 23.8 -19.3 11.0 69 78 A A H <5S+ 0 0 75 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.1 0.895 126.4 17.1 -68.5 -98.8 26.9 -21.2 12.0 70 79 A T H <5S- 0 0 101 -4,-0.6 -3,-0.2 2,-0.2 -2,-0.1 0.830 103.5-114.9 -42.2 -47.6 27.7 -20.6 15.7 71 80 A G S < - 0 0 2 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.969 14.7-155.7-121.4 123.4 27.3 -12.9 16.3 74 83 A R H > S+ 0 0 167 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.903 95.2 60.6 -60.1 -44.5 30.6 -12.3 18.0 75 84 A K H > S+ 0 0 98 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.897 109.7 44.7 -50.5 -41.8 30.6 -8.6 17.2 76 85 A L H >> S+ 0 0 4 -3,-0.3 4,-3.3 2,-0.2 3,-1.2 0.927 106.3 58.1 -68.8 -47.8 27.4 -8.4 19.2 77 86 A E H 3X S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.946 107.6 47.9 -46.0 -57.6 28.6 -10.5 22.1 78 87 A K H 3X S+ 0 0 158 -4,-2.3 4,-1.0 1,-0.2 -1,-0.3 0.731 113.7 49.4 -58.4 -22.6 31.5 -8.1 22.7 79 88 A I H << S+ 0 0 23 -3,-1.2 7,-0.3 -4,-0.6 -2,-0.2 0.874 108.1 50.2 -85.0 -38.7 28.9 -5.3 22.5 80 89 A R H < S+ 0 0 105 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.790 112.0 53.0 -66.3 -24.0 26.5 -6.9 25.0 81 90 A Q H < S+ 0 0 146 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.808 89.7 88.9 -81.2 -31.5 29.6 -7.2 27.2 82 91 A D X - 0 0 70 -4,-1.0 4,-0.6 -5,-0.2 -3,-0.0 -0.260 65.4-151.0 -63.5 155.5 30.7 -3.6 27.1 83 92 A D H > S+ 0 0 136 2,-0.1 4,-2.9 3,-0.1 5,-0.3 0.901 88.8 47.7 -94.7 -55.1 29.2 -1.3 29.7 84 93 A T H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.942 115.0 49.3 -51.3 -51.3 29.0 2.1 28.2 85 94 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 115.1 40.6 -54.5 -56.0 27.5 0.7 25.1 86 95 A S H X S+ 0 0 48 -4,-0.6 4,-1.9 -7,-0.3 -1,-0.2 0.829 116.8 52.4 -64.0 -29.8 24.8 -1.4 26.8 87 96 A S H X S+ 0 0 18 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.871 110.8 45.5 -73.8 -37.0 24.3 1.5 29.2 88 97 A I H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.3 -2,-0.2 0.830 111.0 54.2 -74.2 -32.1 23.9 4.0 26.3 89 98 A N H X S+ 0 0 40 -4,-2.4 4,-0.6 -5,-0.3 -2,-0.2 0.909 109.6 49.1 -67.1 -40.3 21.5 1.6 24.6 90 99 A F H >< S+ 0 0 47 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.938 108.2 49.8 -66.0 -49.2 19.4 1.4 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 6,-0.2 0.830 102.6 62.3 -62.2 -30.1 19.1 5.2 28.3 92 101 A T H 3< S+ 0 0 21 -4,-1.5 -1,-0.3 1,-0.3 5,-0.2 0.785 88.9 72.3 -65.4 -22.7 18.0 5.7 24.7 93 102 A R T << S+ 0 0 121 -3,-1.3 2,-0.4 -4,-0.6 -1,-0.3 0.545 80.1 90.5 -69.4 -4.5 15.0 3.5 25.5 94 103 A V S X S- 0 0 3 -3,-1.8 3,-1.7 3,-0.2 2,-0.3 -0.794 92.3-110.3 -93.3 134.9 13.7 6.4 27.5 95 104 A S T 3 S+ 0 0 35 -2,-0.4 35,-0.4 1,-0.2 36,-0.2 -0.476 104.3 23.5 -66.0 126.0 11.5 8.8 25.5 96 105 A G T 3 S+ 0 0 36 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.123 100.8 98.6 105.5 -21.7 13.2 12.1 25.0 97 106 A I < + 0 0 6 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.2 -0.909 49.5 171.9-102.7 116.9 16.7 10.6 25.5 98 107 A G > - 0 0 31 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.239 54.7 -70.5-105.2-161.3 18.5 9.9 22.2 99 108 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.841 130.2 51.2 -63.0 -35.3 22.1 8.9 21.5 100 109 A S H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.998 113.7 39.6 -65.1 -68.3 23.5 12.3 22.5 101 110 A A H > S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 115.6 56.4 -48.2 -43.6 21.8 12.7 25.9 102 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.975 109.5 42.4 -53.7 -62.9 22.4 9.0 26.5 103 112 A R H X S+ 0 0 83 -4,-2.4 4,-1.7 -84,-0.2 -2,-0.2 0.911 115.6 50.7 -51.6 -48.8 26.2 9.3 26.0 104 113 A K H >X S+ 0 0 122 -4,-2.7 4,-2.5 2,-0.2 3,-1.5 0.980 111.8 46.3 -53.0 -63.8 26.4 12.5 28.0 105 114 A F H 3<>S+ 0 0 9 -4,-3.0 5,-1.9 1,-0.3 -1,-0.2 0.898 111.5 52.1 -44.1 -51.9 24.4 11.0 30.9 106 115 A V H ><5S+ 0 0 20 -4,-2.9 3,-0.6 -5,-0.3 -1,-0.3 0.775 109.2 50.8 -59.6 -27.5 26.6 7.9 30.8 107 116 A D H <<5S+ 0 0 117 -4,-1.7 -1,-0.2 -3,-1.5 -2,-0.2 0.914 104.4 56.9 -75.0 -43.7 29.6 10.1 30.9 108 117 A E T 3<5S- 0 0 90 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.387 126.9-101.3 -66.5 3.2 28.3 12.0 33.9 109 118 A G T < 5S+ 0 0 54 -3,-0.6 2,-0.6 1,-0.3 -3,-0.2 0.290 84.3 129.3 94.7 -12.7 28.0 8.7 35.7 110 119 A I < + 0 0 4 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.689 17.9 142.3 -77.8 118.9 24.3 8.2 35.2 111 120 A K + 0 0 29 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.411 48.5 49.3-141.7 2.9 23.9 4.7 33.8 112 121 A T S > S- 0 0 61 1,-0.1 4,-2.7 -22,-0.1 5,-0.2 -0.894 82.9-102.5-140.4 171.6 20.8 3.0 35.2 113 122 A L H > S+ 0 0 43 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.868 124.5 51.5 -59.2 -38.3 17.1 3.4 35.9 114 123 A E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 109.4 49.5 -65.8 -43.0 18.0 4.0 39.5 115 124 A D H > S+ 0 0 40 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.908 107.4 54.3 -63.6 -42.5 20.6 6.6 38.5 116 125 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 6,-0.2 0.820 108.8 51.4 -61.0 -30.4 18.1 8.4 36.2 117 126 A R H >< S+ 0 0 149 -4,-1.3 3,-2.1 1,-0.2 -2,-0.2 0.964 106.2 48.2 -73.2 -54.0 15.7 8.7 39.1 118 127 A K H 3< S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.548 117.5 49.6 -65.5 -1.3 18.0 10.2 41.7 119 128 A N T >< + 0 0 41 -4,-0.5 3,-3.2 -5,-0.2 -1,-0.3 0.118 66.5 125.3-123.0 20.4 18.8 12.6 38.9 120 129 A E G X + 0 0 88 -3,-2.1 3,-1.8 1,-0.3 -2,-0.1 0.809 65.7 70.8 -49.7 -33.6 15.4 13.6 37.7 121 130 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.629 93.3 61.5 -61.7 -8.2 16.4 17.3 38.2 122 131 A K G < S+ 0 0 65 -3,-3.2 2,-0.4 -6,-0.2 -1,-0.3 0.156 87.3 83.7-105.6 20.0 18.6 16.7 35.1 123 132 A L S < S- 0 0 5 -3,-1.8 -26,-0.0 -7,-0.1 -27,-0.0 -0.953 73.4-126.2-122.5 141.3 15.9 15.8 32.5 124 133 A N > - 0 0 89 -2,-0.4 4,-2.3 -28,-0.1 5,-0.1 -0.194 46.6 -87.2 -71.4 177.2 13.8 18.2 30.5 125 134 A H H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.930 126.7 49.2 -52.3 -55.6 10.0 17.7 30.6 126 135 A H H > S+ 0 0 42 93,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.909 114.6 44.5 -52.5 -49.3 9.8 15.1 27.8 127 136 A Q H > S+ 0 0 14 -31,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.875 110.8 58.7 -64.0 -34.3 12.6 13.0 29.3 128 137 A R H >X S+ 0 0 80 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.974 110.6 38.0 -57.7 -59.9 10.9 13.5 32.6 129 138 A I H 3X S+ 0 0 7 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.828 110.3 63.4 -62.0 -33.3 7.6 12.0 31.5 130 139 A G H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 -35,-0.4 -35,-0.2 0.908 108.0 41.4 -58.3 -40.5 9.6 9.4 29.5 131 140 A L H X< S+ 0 0 8 -4,-2.0 3,-1.5 -3,-0.5 4,-0.3 0.861 106.2 65.7 -73.9 -35.0 11.0 8.2 32.8 132 141 A K H 3< S+ 0 0 121 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.870 118.4 22.5 -54.1 -42.2 7.6 8.5 34.5 133 142 A Y T 3X S+ 0 0 25 -4,-1.8 4,-2.7 1,-0.1 -1,-0.3 -0.098 80.4 134.8-118.5 33.8 6.1 5.8 32.4 134 143 A F T <4 S+ 0 0 31 -3,-1.5 4,-0.4 2,-0.2 -1,-0.1 0.909 80.1 40.4 -47.3 -49.8 9.3 3.9 31.3 135 144 A G T >> S+ 0 0 41 -4,-0.3 3,-2.9 -3,-0.2 4,-0.7 0.997 113.3 50.3 -64.3 -65.0 7.6 0.6 32.1 136 145 A D G >4 S+ 0 0 39 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.845 107.0 55.8 -40.6 -48.5 4.2 1.3 30.7 137 146 A F G 3< S+ 0 0 44 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.588 98.4 63.1 -64.8 -12.9 5.5 2.6 27.4 138 147 A E G <4 S+ 0 0 96 -3,-2.9 -1,-0.3 -4,-0.4 -2,-0.2 0.680 89.5 89.4 -84.0 -20.6 7.5 -0.6 26.8 139 148 A K S << S- 0 0 114 -3,-1.6 2,-0.1 -4,-0.7 0, 0.0 -0.471 77.6-118.8 -82.4 150.4 4.2 -2.7 26.7 140 149 A R - 0 0 137 -2,-0.2 40,-0.2 1,-0.0 -1,-0.1 -0.339 21.7-124.0 -79.6 164.0 2.1 -3.4 23.6 141 150 A I E -A 179 0A 0 38,-2.0 38,-2.0 -2,-0.1 5,-0.1 -0.922 21.4-130.4-114.6 109.4 -1.5 -2.3 23.2 142 151 A P E >> -A 178 0A 60 0, 0.0 3,-1.7 0, 0.0 4,-1.5 -0.304 21.0-123.6 -55.2 139.6 -3.9 -5.1 22.6 143 152 A R H 3> S+ 0 0 49 34,-2.4 4,-2.4 1,-0.3 5,-0.2 0.841 110.4 64.9 -54.7 -35.7 -6.1 -4.2 19.6 144 153 A E H 3> S+ 0 0 147 33,-0.3 4,-0.8 1,-0.3 -1,-0.3 0.820 106.0 45.1 -58.3 -28.9 -9.2 -4.6 21.6 145 154 A E H <> S+ 0 0 25 -3,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.804 105.8 58.3 -82.2 -34.1 -7.9 -1.7 23.7 146 155 A M H X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.898 104.8 54.2 -60.4 -37.0 -7.0 0.3 20.6 147 156 A L H X S+ 0 0 66 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.861 110.1 45.1 -64.5 -37.3 -10.7 -0.0 19.8 148 157 A Q H X S+ 0 0 61 -4,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.841 111.3 51.3 -77.3 -34.1 -11.8 1.4 23.1 149 158 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.882 107.8 55.3 -69.4 -34.8 -9.3 4.3 23.0 150 159 A Q H X S+ 0 0 41 -4,-2.0 4,-3.8 -5,-0.2 5,-0.4 0.944 105.4 50.5 -61.5 -50.3 -10.6 5.1 19.5 151 160 A D H X S+ 0 0 86 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.901 109.9 50.2 -57.0 -42.8 -14.2 5.4 20.7 152 161 A I H X S+ 0 0 40 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.964 118.4 40.2 -58.9 -48.5 -13.1 7.7 23.5 153 162 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 3,-0.3 0.943 116.1 45.6 -65.9 -55.1 -11.2 9.9 21.0 154 163 A L H X S+ 0 0 49 -4,-3.8 4,-2.2 1,-0.2 -1,-0.2 0.864 117.8 47.6 -59.5 -33.9 -13.6 9.9 18.0 155 164 A N H < S+ 0 0 62 -4,-1.9 4,-0.4 -5,-0.4 -1,-0.2 0.759 111.7 47.3 -78.9 -26.7 -16.4 10.6 20.5 156 165 A E H < S+ 0 0 15 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.705 114.5 48.6 -86.1 -19.9 -14.6 13.4 22.3 157 166 A V H >X S+ 0 0 3 -4,-1.9 3,-2.6 2,-0.2 4,-1.7 0.935 107.5 52.9 -79.4 -51.4 -13.6 15.0 19.0 158 167 A K T 3< S+ 0 0 127 -4,-2.2 4,-0.2 1,-0.3 -2,-0.2 0.706 104.7 61.0 -55.4 -19.6 -17.1 14.7 17.6 159 168 A K T 34 S+ 0 0 134 -4,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.594 103.5 46.6 -84.8 -13.9 -18.2 16.5 20.8 160 169 A V T <4 S- 0 0 41 -3,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.828 137.5 -13.5 -93.2 -39.7 -16.1 19.6 20.1 161 170 A D >< - 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0 0 28 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.173 39.9-137.4 -51.4 140.5 -2.0 -5.2 13.5 177 186 A E S S+ 0 0 147 1,-0.1 -34,-2.4 -35,-0.1 2,-0.3 0.626 89.7 22.9 -76.6 -14.1 -3.3 -7.2 16.4 178 187 A S E S-A 142 0A 33 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.979 74.6-151.1-148.0 151.9 -1.3 -5.1 18.8 179 188 A S E -A 141 0A 0 -38,-2.0 -38,-2.0 -2,-0.3 3,-0.1 -0.932 20.0-141.5-130.5 152.1 0.1 -1.5 18.6 180 189 A G S S- 0 0 39 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.844 85.6 -23.4 -75.9 -33.5 3.0 0.4 20.0 181 190 A D S S- 0 0 35 63,-0.1 2,-0.6 -40,-0.1 -9,-0.3 -0.930 73.3 -86.5-161.9 178.3 0.9 3.5 20.5 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.1 -2,-0.3 2,-0.6 -0.897 34.1-167.9-105.3 117.8 -2.1 5.4 19.2 183 192 A D E - c 0 247B 23 -2,-0.6 -14,-3.6 -14,-0.3 2,-0.5 -0.912 6.2-170.3-108.0 116.3 -1.6 7.6 16.1 184 193 A V E -Bc 168 248B 2 63,-2.7 65,-2.6 -2,-0.6 2,-0.4 -0.915 10.7-157.6-112.6 118.6 -4.5 9.9 15.3 185 194 A L E -Bc 167 249B 1 -18,-3.5 -18,-2.7 -2,-0.5 2,-0.4 -0.764 19.0-162.4 -89.6 135.0 -4.8 11.9 12.1 186 195 A L E +Bc 166 250B 0 63,-3.2 65,-2.1 -2,-0.4 2,-0.4 -0.970 14.2 174.5-127.3 137.3 -7.1 14.9 12.6 187 196 A T E -B 165 0B 4 -22,-1.2 -22,-2.6 -2,-0.4 5,-0.1 -1.000 6.3-178.2-141.2 137.5 -8.8 17.2 10.0 188 197 A H > - 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