==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-FEB-12 4DO9 . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.8 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 . 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 . 15 4.6 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 . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 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 0 179 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -15.5 9.8 -15.3 12.9 2 11 A L T 3 + 0 0 91 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.904 360.0 12.7 -45.0 -51.0 10.8 -17.6 9.9 3 12 A N T 3> S+ 0 0 12 35,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.096 90.8 135.1-114.6 34.4 14.2 -15.8 10.0 4 13 A G H <> + 0 0 16 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.810 65.6 60.4 -53.0 -35.5 13.7 -14.1 13.3 5 14 A G H > S+ 0 0 36 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.968 110.4 39.9 -58.5 -53.6 17.2 -15.0 14.5 6 15 A I H > S+ 0 0 5 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.874 115.1 50.9 -62.9 -42.8 18.8 -13.1 11.7 7 16 A T H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.6 51.9 -68.7 -39.1 16.4 -10.1 11.8 8 17 A D H X S+ 0 0 111 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.943 109.9 51.1 -55.8 -47.2 16.9 -9.7 15.5 9 18 A M H X S+ 0 0 6 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.920 110.9 46.5 -56.3 -47.5 20.7 -9.6 15.0 10 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.865 112.0 51.8 -66.5 -34.6 20.5 -7.0 12.3 11 20 A T H X S+ 0 0 60 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.892 108.3 50.5 -68.9 -38.3 18.1 -4.9 14.4 12 21 A E H X S+ 0 0 63 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.959 112.8 47.3 -66.4 -43.7 20.5 -5.1 17.4 13 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 110.6 51.8 -59.1 -43.4 23.3 -4.0 15.0 14 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.943 110.7 48.5 -57.4 -49.6 21.0 -1.2 13.6 15 24 A N H X S+ 0 0 70 -4,-2.9 4,-3.1 2,-0.2 5,-0.4 0.907 109.3 52.3 -56.8 -46.1 20.4 0.0 17.2 16 25 A F H X>S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 5,-1.4 0.940 110.5 48.3 -55.2 -49.7 24.1 -0.1 18.1 17 26 A E H <5S+ 0 0 9 -4,-2.3 6,-2.8 3,-0.2 5,-0.4 0.884 116.8 42.4 -61.9 -40.3 24.9 2.1 15.1 18 27 A K H <5S+ 0 0 62 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.962 124.2 32.4 -69.2 -52.5 22.2 4.6 15.8 19 28 A N H <5S+ 0 0 15 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.854 133.6 21.5 -78.3 -37.9 22.6 4.9 19.6 20 29 A V T <5S+ 0 0 10 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.917 131.7 31.9 -99.8 -60.8 26.4 4.4 20.0 21 30 A S S > - 0 0 27 -6,-2.8 4,-1.9 1,-0.1 3,-0.7 -0.759 24.9-179.3-116.8 84.0 25.9 6.5 12.3 24 33 A I H 3> S+ 0 0 80 -2,-0.6 4,-2.6 1,-0.3 5,-0.1 0.717 76.6 54.2 -66.7 -27.0 22.4 6.9 10.9 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.872 109.8 48.1 -75.5 -34.5 23.0 5.6 7.4 26 35 A K H <> S+ 0 0 116 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.877 110.0 54.9 -65.1 -39.1 24.5 2.4 8.8 27 36 A Y H X S+ 0 0 33 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.977 112.0 41.6 -56.8 -57.2 21.4 2.3 11.1 28 37 A N H X S+ 0 0 36 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.854 109.9 59.1 -60.4 -34.9 19.1 2.5 8.1 29 38 A A H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.977 110.6 41.4 -59.6 -53.9 21.3 0.0 6.1 30 39 A Y H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.920 113.7 53.0 -54.8 -48.3 20.7 -2.6 8.8 31 40 A R H X S+ 0 0 39 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.907 109.8 49.1 -56.6 -42.3 17.0 -1.8 9.2 32 41 A K H X S+ 0 0 102 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.939 111.2 48.5 -63.8 -47.0 16.5 -2.2 5.5 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 22,-0.3 -2,-0.2 0.903 112.2 49.7 -58.5 -44.2 18.3 -5.5 5.4 34 43 A A H X S+ 0 0 9 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.934 112.1 47.9 -61.2 -46.3 16.2 -6.7 8.4 35 44 A S H X S+ 0 0 9 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.946 111.8 48.6 -60.5 -48.9 13.0 -5.6 6.7 36 45 A V H X S+ 0 0 17 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.870 114.6 47.0 -61.1 -33.2 13.9 -7.3 3.4 37 46 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.878 107.0 54.9 -78.5 -37.9 14.8 -10.5 5.2 38 47 A A H < S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.6 50.5 -62.3 -35.4 11.7 -10.6 7.4 39 48 A K H < S+ 0 0 129 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.856 85.5 108.6 -66.6 -36.3 9.5 -10.4 4.2 40 49 A Y < - 0 0 47 -4,-1.0 4,-0.1 -5,-0.2 -37,-0.1 -0.209 64.0-147.4 -57.1 122.6 11.5 -13.3 2.6 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.121 71.6 71.6 -86.1 20.6 9.2 -16.4 2.4 42 51 A H S S- 0 0 110 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.967 88.0-109.5-131.3 148.0 12.0 -19.0 2.9 43 52 A K - 0 0 150 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.701 47.0-119.6 -75.1 114.9 14.1 -19.9 5.9 44 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -38,-0.1 -0.307 32.4-178.7 -64.9 136.3 17.5 -18.6 4.9 45 54 A K + 0 0 167 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.456 62.7 14.4-114.0 -6.9 20.3 -21.2 4.7 46 55 A S > - 0 0 39 1,-0.1 4,-1.8 22,-0.0 -1,-0.3 -0.983 64.9-117.4-164.9 155.9 23.3 -19.0 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.883 117.6 56.4 -59.2 -40.3 24.7 -15.5 3.5 48 57 A A H 4 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.918 105.1 51.3 -59.3 -44.3 25.0 -16.0 -0.2 49 58 A E H >4 S+ 0 0 31 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.901 113.5 45.5 -57.7 -41.3 21.3 -16.8 -0.4 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.6 1,-0.2 6,-0.2 0.860 98.0 69.9 -71.4 -36.5 20.6 -13.6 1.5 51 60 A K T 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.479 86.3 70.6 -66.2 1.7 22.9 -11.5 -0.6 52 61 A K T < S+ 0 0 168 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.755 82.9 86.4 -81.7 -26.0 20.4 -12.0 -3.3 53 62 A L S X S- 0 0 24 -3,-2.6 3,-2.0 -4,-0.2 2,-0.3 -0.537 93.6-103.3 -80.0 139.3 18.0 -9.7 -1.5 54 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.427 108.6 27.4 -63.1 117.8 18.2 -5.9 -2.1 55 64 A G T 3 S+ 0 0 35 -2,-0.3 2,-0.7 1,-0.3 -22,-0.3 0.224 93.7 105.3 111.5 -13.0 19.9 -4.3 0.9 56 65 A V < + 0 0 8 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.1 -0.898 50.0 172.3 -99.0 114.3 21.9 -7.3 1.9 57 66 A G > - 0 0 32 -2,-0.7 4,-2.0 -3,-0.1 5,-0.1 -0.198 48.8 -74.5-106.5-159.5 25.5 -6.8 0.9 58 67 A T H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 126.7 48.6 -65.8 -45.5 28.9 -8.6 1.4 59 68 A K H > S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 114.9 43.1 -64.8 -44.1 29.3 -7.5 5.1 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 111.2 57.1 -71.6 -31.9 25.8 -8.6 6.1 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.912 107.1 48.2 -63.3 -41.5 26.1 -11.8 4.1 62 71 A E H X S+ 0 0 119 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.913 110.3 51.6 -64.6 -40.9 29.2 -12.7 6.1 63 72 A K H X S+ 0 0 33 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.898 106.7 53.4 -65.1 -38.3 27.5 -11.9 9.4 64 73 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.913 108.8 50.4 -62.1 -40.5 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 74 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.960 111.2 47.3 -61.1 -50.8 27.1 -16.9 7.7 66 75 A E H X S+ 0 0 40 -4,-2.8 4,-2.4 1,-0.2 5,-0.5 0.957 115.2 46.9 -52.5 -48.8 28.7 -16.4 11.1 67 76 A F H X S+ 0 0 44 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.870 110.3 51.7 -63.9 -38.7 25.2 -16.4 12.7 68 77 A L H < S+ 0 0 71 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.868 114.1 43.8 -67.8 -36.0 24.0 -19.5 10.9 69 78 A A H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 130.7 18.3 -72.0 -47.4 27.0 -21.5 11.9 70 79 A T H < S- 0 0 80 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.671 93.7-119.8-106.5 -23.6 27.3 -20.5 15.6 71 80 A G S < S+ 0 0 50 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.570 86.9 53.7 90.2 10.6 23.9 -19.1 16.6 72 81 A K S S- 0 0 87 -6,-0.4 2,-0.4 -5,-0.1 -2,-0.3 -0.946 76.8-114.4-161.8 178.4 25.5 -15.8 17.5 73 82 A L >> - 0 0 4 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.975 10.3-152.1-132.5 115.6 27.7 -12.9 16.4 74 83 A R H 3> S+ 0 0 149 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.888 98.7 58.4 -50.7 -43.6 31.1 -12.2 18.1 75 84 A K H 3> S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 109.8 42.2 -55.5 -43.9 30.7 -8.5 17.2 76 85 A L H <> S+ 0 0 3 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.873 109.0 59.7 -72.1 -36.4 27.5 -8.3 19.2 77 86 A E H X S+ 0 0 70 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.951 109.4 43.4 -54.1 -48.9 28.9 -10.4 22.0 78 87 A K H X S+ 0 0 141 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.870 110.9 54.9 -67.3 -37.3 31.6 -7.8 22.5 79 88 A I H < S+ 0 0 19 -4,-1.7 3,-0.3 -5,-0.2 7,-0.3 0.929 107.3 50.6 -61.1 -41.6 29.2 -5.0 22.2 80 89 A R H < S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.5 50.7 -66.0 -32.6 27.0 -6.5 24.9 81 90 A Q H < S+ 0 0 129 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.784 87.3 99.1 -73.8 -28.5 30.1 -6.8 27.2 82 91 A D X - 0 0 71 -4,-1.5 4,-2.5 -3,-0.3 5,-0.2 -0.477 62.7-156.4 -70.3 113.4 31.1 -3.2 26.7 83 92 A D H > S+ 0 0 124 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.884 89.7 50.4 -58.9 -42.9 29.8 -1.1 29.7 84 93 A T H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.950 112.9 44.7 -63.1 -48.7 29.7 2.2 27.8 85 94 A S H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.896 114.5 49.7 -61.8 -42.0 27.8 0.9 24.8 86 95 A S H X S+ 0 0 46 -4,-2.5 4,-2.5 -7,-0.3 -1,-0.2 0.939 112.0 48.1 -61.7 -47.8 25.3 -1.0 27.1 87 96 A S H X S+ 0 0 18 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.943 114.2 45.9 -59.5 -49.3 24.8 2.1 29.2 88 97 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.924 111.5 51.9 -60.5 -44.4 24.2 4.2 26.2 89 98 A N H < S+ 0 0 37 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.908 111.4 48.5 -61.3 -38.5 21.9 1.7 24.6 90 99 A F H >< S+ 0 0 47 -4,-2.5 3,-2.2 1,-0.2 4,-0.3 0.948 107.6 51.5 -63.7 -51.6 19.8 1.5 27.8 91 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 6,-0.2 0.870 100.7 63.5 -59.5 -36.4 19.4 5.3 28.3 92 101 A T T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.504 87.1 74.2 -67.8 -2.3 18.2 5.8 24.8 93 102 A R T < S+ 0 0 124 -3,-2.2 2,-0.6 -4,-0.1 -1,-0.3 0.708 77.3 88.8 -81.3 -18.9 15.2 3.6 25.7 94 103 A V S X S- 0 0 3 -3,-2.1 3,-2.5 -4,-0.3 37,-0.1 -0.692 94.3-110.6 -76.6 118.6 13.8 6.5 27.7 95 104 A S T 3 S+ 0 0 35 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.231 104.1 24.2 -51.2 129.7 11.6 8.7 25.4 96 105 A G T 3 S+ 0 0 34 1,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.254 96.4 103.2 94.1 -12.1 13.4 12.0 24.8 97 106 A I < + 0 0 4 -3,-2.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.895 51.8 178.4-101.4 106.4 16.9 10.7 25.5 98 107 A G > - 0 0 30 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.279 48.7 -77.5 -94.4-173.7 18.6 10.3 22.1 99 108 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.879 129.7 47.2 -50.3 -44.5 22.2 9.1 21.3 100 109 A S H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.974 114.4 42.9 -67.6 -54.7 23.7 12.5 22.1 101 110 A A H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 113.6 55.3 -56.9 -36.5 21.9 13.0 25.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.930 107.8 46.6 -64.1 -45.3 22.6 9.4 26.4 103 112 A R H X S+ 0 0 85 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.854 113.2 50.4 -69.0 -34.5 26.4 9.7 25.8 104 113 A K H X S+ 0 0 124 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.951 108.0 51.8 -65.1 -50.2 26.4 12.9 27.8 105 114 A F H ><>S+ 0 0 13 -4,-2.9 5,-2.8 1,-0.2 3,-0.9 0.934 110.2 49.8 -51.3 -47.5 24.5 11.4 30.7 106 115 A V H ><5S+ 0 0 14 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.893 104.8 57.2 -61.6 -38.4 27.1 8.6 30.8 107 116 A D H 3<5S+ 0 0 129 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.792 107.7 49.6 -59.4 -27.9 30.0 11.1 30.8 108 117 A E T <<5S- 0 0 101 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.329 125.0-104.6 -93.6 6.3 28.4 12.5 33.9 109 118 A G T < 5S+ 0 0 44 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.774 80.7 133.0 72.3 26.8 28.2 9.1 35.5 110 119 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.916 19.0 130.7-104.8 103.8 24.4 8.9 35.0 111 120 A K + 0 0 80 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.343 48.4 57.3-142.9 8.0 23.9 5.4 33.5 112 121 A T S > S- 0 0 60 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.819 82.4-105.3-133.6 176.9 21.2 3.5 35.3 113 122 A L H > S+ 0 0 41 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.928 122.2 52.5 -70.2 -42.5 17.5 3.8 36.0 114 123 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 107.8 53.7 -57.0 -39.6 18.2 4.6 39.7 115 124 A D H > S+ 0 0 21 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.922 108.5 47.6 -62.7 -46.6 20.6 7.4 38.4 116 125 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.939 109.9 53.8 -58.5 -46.1 18.0 9.0 36.2 117 126 A R H >< S+ 0 0 147 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.872 110.3 44.8 -61.2 -39.2 15.5 8.9 39.1 118 127 A K H 3< S+ 0 0 150 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.507 114.8 52.2 -84.1 -2.7 17.8 10.7 41.5 119 128 A N T X< + 0 0 36 -3,-1.3 3,-2.4 -4,-0.6 4,-0.3 -0.068 62.0 135.0-121.4 33.7 18.7 13.2 38.8 120 129 A E G X + 0 0 90 -3,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.776 68.2 65.4 -49.0 -32.0 15.3 14.4 37.6 121 130 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.732 94.7 59.2 -68.9 -19.0 16.5 18.0 37.7 122 131 A K G < S+ 0 0 100 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.3 0.478 92.9 86.6 -85.1 -1.0 18.9 17.1 34.9 123 132 A L S < S- 0 0 9 -3,-1.5 -26,-0.0 -4,-0.3 2,-0.0 -0.749 73.3-130.7-104.1 143.5 16.1 16.1 32.5 124 133 A N > - 0 0 85 -2,-0.3 4,-2.0 -28,-0.1 5,-0.2 -0.209 42.9 -89.7 -76.5-177.6 14.1 18.3 30.2 125 134 A H H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.942 125.2 46.6 -63.8 -50.3 10.2 17.9 30.3 126 135 A H H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.943 113.5 49.6 -52.6 -54.3 9.9 15.2 27.6 127 136 A Q H > S+ 0 0 17 -31,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.849 107.3 55.4 -55.5 -38.7 12.7 13.1 29.2 128 137 A R H X S+ 0 0 94 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.898 109.4 45.6 -66.0 -38.6 11.1 13.5 32.6 129 138 A I H X S+ 0 0 14 -4,-1.9 4,-2.0 -3,-0.3 -2,-0.2 0.842 110.3 55.1 -71.9 -32.5 7.8 12.0 31.3 130 139 A G H < S+ 0 0 1 -4,-2.2 -35,-0.3 -35,-0.4 -2,-0.2 0.875 110.4 45.4 -65.0 -36.1 9.7 9.2 29.5 131 140 A L H >< S+ 0 0 5 -4,-1.9 3,-1.5 -5,-0.2 4,-0.3 0.930 108.9 56.3 -72.9 -45.1 11.3 8.2 32.8 132 141 A K H 3< S+ 0 0 130 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.920 121.0 29.0 -47.4 -50.4 8.1 8.4 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-2.0 4,-3.0 1,-0.2 -1,-0.3 0.067 80.7 129.2-105.6 26.2 6.4 5.9 32.3 134 143 A F T <4 S+ 0 0 23 -3,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.904 79.1 41.1 -47.6 -52.0 9.6 4.0 31.3 135 144 A G T >> S+ 0 0 41 -4,-0.3 3,-1.7 -3,-0.3 4,-0.7 0.945 114.3 50.3 -61.2 -51.5 7.9 0.7 32.1 136 145 A D G >4 S+ 0 0 35 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.912 105.5 57.1 -55.6 -43.2 4.5 1.5 30.6 137 146 A F G 3< S+ 0 0 43 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.539 100.0 60.5 -71.9 -5.2 6.1 2.7 27.3 138 147 A E G <4 S+ 0 0 98 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.674 90.1 87.3 -84.7 -25.4 7.8 -0.7 26.9 139 148 A K S << S- 0 0 109 -3,-1.6 2,-0.1 -4,-0.7 -3,-0.0 -0.520 74.8-130.8 -81.9 144.3 4.5 -2.5 26.9 140 149 A R - 0 0 141 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.437 19.1-118.5 -85.4 167.5 2.5 -3.1 23.7 141 150 A I E -A 179 0A 0 38,-2.5 38,-2.1 -2,-0.1 40,-0.1 -0.928 21.5-129.3-111.7 121.9 -1.2 -2.3 23.3 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.440 24.9-117.9 -66.2 144.2 -3.6 -5.2 22.4 143 152 A R H 3> S+ 0 0 56 34,-2.6 4,-2.4 1,-0.3 5,-0.2 0.828 115.2 63.6 -49.9 -32.3 -5.8 -4.3 19.5 144 153 A E H 3> S+ 0 0 144 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.905 105.1 43.3 -63.7 -40.9 -8.7 -4.7 21.9 145 154 A E H <> S+ 0 0 28 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.852 109.8 57.2 -67.5 -36.9 -7.4 -1.7 23.9 146 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.885 104.9 53.1 -61.1 -36.4 -6.7 0.2 20.8 147 156 A L H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.887 109.3 46.7 -67.6 -41.9 -10.4 -0.2 19.8 148 157 A Q H X S+ 0 0 69 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.886 112.4 51.5 -62.6 -38.8 -11.5 1.2 23.2 149 158 A M H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.893 108.8 50.3 -68.8 -40.7 -9.1 4.1 22.8 150 159 A Q H X S+ 0 0 53 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.883 107.6 54.3 -59.0 -43.6 -10.4 4.8 19.3 151 160 A D H X S+ 0 0 96 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.931 111.8 44.4 -62.3 -44.8 -13.9 4.9 20.6 152 161 A I H X S+ 0 0 35 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.976 114.7 47.0 -61.3 -56.2 -13.0 7.5 23.2 153 162 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.930 115.7 44.6 -56.8 -49.5 -11.0 9.7 20.9 154 163 A L H X S+ 0 0 60 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.945 116.3 45.8 -60.3 -50.7 -13.6 9.7 18.1 155 164 A N H X S+ 0 0 64 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.901 114.3 47.6 -59.5 -41.0 -16.5 10.3 20.4 156 165 A E H X S+ 0 0 21 -4,-3.3 4,-1.3 -5,-0.2 -1,-0.2 0.920 112.2 50.0 -67.9 -41.2 -14.8 13.0 22.4 157 166 A V H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.3 3,-0.5 0.914 106.9 54.8 -62.9 -42.1 -13.7 14.7 19.2 158 167 A K H < S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 104.0 56.5 -60.3 -32.2 -17.3 14.6 17.9 159 168 A K H < S+ 0 0 135 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.9 49.0 -68.5 -32.2 -18.4 16.4 21.1 160 169 A V H < S- 0 0 40 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.951 137.9 -17.2 -71.4 -48.9 -16.0 19.2 20.3 161 170 A D >< - 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