==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-12 4GXK . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 316 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.5 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 . 0 0.0 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 2 1 1 2 3 0 1 1 1 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 . 0 2 0 0 2 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 0 188 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -21.7 15.6 -15.8 7.4 2 11 A L T 3 + 0 0 87 1,-0.3 3,-0.2 2,-0.1 42,-0.1 0.910 360.0 2.6 -58.2 -62.3 17.4 -16.8 4.2 3 12 A N T 3> S+ 0 0 9 1,-0.1 4,-2.4 40,-0.1 3,-0.4 -0.113 97.4 132.5-112.3 35.4 20.4 -14.4 4.1 4 13 A G H <> + 0 0 16 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.797 61.7 57.9 -57.0 -38.4 19.2 -13.0 7.4 5 14 A G H > S+ 0 0 32 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.940 111.8 42.2 -58.6 -48.2 22.7 -13.2 9.0 6 15 A I H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.911 113.5 50.0 -65.6 -43.7 24.1 -10.9 6.4 7 16 A T H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.900 110.8 51.6 -68.5 -33.0 21.1 -8.5 6.3 8 17 A D H X S+ 0 0 113 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.913 109.6 49.7 -61.3 -46.8 21.3 -8.2 10.1 9 18 A M H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 113.2 46.7 -54.9 -48.7 25.0 -7.4 9.8 10 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.893 110.3 50.9 -65.7 -41.8 24.3 -4.7 7.2 11 20 A T H X S+ 0 0 60 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.883 110.0 51.4 -63.3 -38.3 21.5 -3.1 9.1 12 21 A E H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 110.6 47.7 -65.5 -42.3 23.7 -2.9 12.2 13 22 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 110.7 53.1 -61.8 -44.1 26.4 -1.2 10.2 14 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.941 109.0 48.5 -52.9 -51.0 23.8 1.1 8.7 15 24 A N H X S+ 0 0 60 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.875 109.4 52.4 -61.1 -39.6 22.6 2.1 12.2 16 25 A F H X>S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 5,-1.7 0.941 110.0 48.2 -60.0 -46.7 26.1 2.7 13.4 17 26 A E H <>S+ 0 0 20 -4,-2.4 6,-3.0 3,-0.2 5,-0.5 0.888 117.2 42.9 -63.9 -35.8 26.9 5.0 10.4 18 27 A K H <5S+ 0 0 63 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.931 123.5 32.9 -74.4 -47.1 23.6 7.0 11.0 19 28 A N H <5S+ 0 0 11 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.872 134.7 17.9 -83.2 -38.6 23.7 7.3 14.8 20 29 A V T <5S+ 0 0 10 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.894 131.4 35.8-101.6 -57.5 27.4 7.5 15.5 21 30 A S T > + 0 0 25 -6,-3.0 4,-2.3 1,-0.1 3,-0.5 -0.776 23.7 177.6-115.7 83.9 27.3 9.5 7.6 24 33 A I H 3> S+ 0 0 77 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.723 75.6 56.6 -69.2 -19.7 23.8 9.4 6.1 25 34 A H H 3> S+ 0 0 156 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 109.0 45.2 -81.4 -33.1 25.0 8.3 2.7 26 35 A K H <> S+ 0 0 120 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.883 110.6 55.7 -69.4 -40.5 26.8 5.2 4.1 27 36 A Y H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.977 112.5 41.8 -51.1 -55.0 23.7 4.5 6.1 28 37 A N H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.841 111.7 55.6 -61.1 -37.3 21.7 4.6 2.9 29 38 A A H X S+ 0 0 49 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.924 110.0 46.5 -59.8 -44.5 24.4 2.6 1.1 30 39 A Y H X S+ 0 0 25 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.872 112.6 48.0 -66.9 -40.6 24.1 -0.2 3.7 31 40 A R H X S+ 0 0 58 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.866 108.9 54.7 -69.5 -36.1 20.3 -0.3 3.7 32 41 A K H X S+ 0 0 123 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 111.6 44.7 -60.9 -44.9 20.3 -0.4 -0.1 33 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 22,-0.3 5,-0.3 0.923 111.1 52.4 -65.6 -43.8 22.6 -3.5 0.0 34 43 A A H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 112.1 48.3 -57.0 -38.6 20.6 -5.1 2.8 35 44 A S H X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.919 110.6 47.6 -71.3 -44.3 17.5 -4.6 0.7 36 45 A V H < S+ 0 0 25 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.851 115.2 47.3 -66.4 -32.8 18.9 -6.0 -2.5 37 46 A I H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.902 106.4 56.6 -74.4 -41.5 20.3 -9.0 -0.6 38 47 A A H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.801 108.6 49.2 -57.0 -28.2 16.9 -9.6 1.2 39 48 A K T 3< S+ 0 0 116 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.601 85.0 109.4 -87.1 -12.4 15.3 -9.9 -2.3 40 49 A Y < - 0 0 45 -3,-1.2 4,-0.1 -4,-0.4 -37,-0.1 -0.482 62.9-147.6 -69.7 128.4 17.9 -12.4 -3.6 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.273 71.0 69.8 -85.2 12.8 16.3 -15.8 -4.0 42 51 A H S S- 0 0 104 -39,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.914 87.2-105.4-128.6 155.7 19.5 -17.8 -3.2 43 52 A K - 0 0 76 -2,-0.3 2,-0.2 1,-0.0 -40,-0.1 -0.710 44.5-124.1 -76.5 117.7 21.7 -18.5 -0.2 44 53 A I - 0 0 0 -2,-0.6 3,-0.1 1,-0.1 -38,-0.1 -0.476 29.1-177.6 -72.4 131.6 24.8 -16.4 -0.7 45 54 A K + 0 0 157 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.515 63.5 7.1-107.9 -13.9 28.0 -18.5 -0.7 46 55 A S S > S- 0 0 41 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.977 71.3-107.2-159.6 165.4 30.6 -15.7 -1.1 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.868 119.0 60.6 -64.6 -36.4 31.1 -12.0 -1.2 48 57 A A H > S+ 0 0 70 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.879 101.4 52.6 -59.7 -36.9 31.7 -12.4 -4.9 49 58 A E H >4 S+ 0 0 35 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.961 112.9 43.6 -62.6 -50.4 28.2 -13.8 -5.3 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 6,-0.2 0.822 102.1 70.0 -59.0 -32.7 26.7 -10.8 -3.5 51 60 A K H 3< S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 86.9 65.7 -61.9 -27.2 29.0 -8.5 -5.5 52 61 A K T << S+ 0 0 181 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.751 87.1 88.6 -61.7 -27.6 27.0 -9.2 -8.6 53 62 A L S X S- 0 0 25 -3,-1.9 3,-1.7 -4,-0.3 2,-0.2 -0.543 90.1-106.7 -80.6 141.0 24.0 -7.5 -7.0 54 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.457 105.8 28.0 -72.1 131.7 23.5 -3.7 -7.5 55 64 A G T 3 S+ 0 0 34 1,-0.2 2,-0.6 -2,-0.2 -22,-0.3 0.126 98.0 101.5 102.4 -18.8 24.4 -1.7 -4.3 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.896 50.5 161.6 -99.9 116.4 26.9 -4.3 -3.1 57 66 A G > - 0 0 29 -2,-0.6 4,-2.3 -3,-0.1 5,-0.2 -0.273 51.1 -59.1-120.2-155.4 30.4 -3.3 -3.8 58 67 A T H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.904 125.3 43.9 -61.0 -49.8 34.0 -4.0 -2.8 59 68 A K H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 116.3 46.0 -68.5 -38.8 33.8 -3.3 1.0 60 69 A I H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 110.2 54.2 -72.3 -34.3 30.5 -5.1 1.6 61 70 A A H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.943 109.5 49.0 -62.2 -44.7 31.6 -8.1 -0.4 62 71 A E H X S+ 0 0 128 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.849 110.8 49.5 -62.4 -36.6 34.7 -8.3 1.8 63 72 A K H X S+ 0 0 18 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.843 107.7 55.0 -70.3 -34.1 32.6 -8.0 5.0 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.905 106.2 52.1 -64.7 -41.5 30.3 -10.8 3.6 65 74 A D H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.961 109.6 47.7 -56.4 -53.7 33.4 -13.0 3.3 66 75 A E H X>S+ 0 0 29 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.916 114.1 48.5 -54.9 -43.0 34.5 -12.4 6.9 67 76 A F H X5S+ 0 0 48 -4,-2.2 4,-1.6 3,-0.2 -1,-0.2 0.915 110.9 48.3 -66.2 -46.3 30.9 -13.1 8.1 68 77 A L H <5S+ 0 0 60 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.906 119.6 39.0 -60.7 -42.1 30.5 -16.3 6.1 69 78 A A H <5S+ 0 0 88 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.961 132.2 23.7 -73.2 -49.9 33.9 -17.7 7.3 70 79 A T H <5S- 0 0 89 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.876 90.0-127.6 -91.6 -43.4 33.7 -16.4 10.8 71 80 A G S < - 0 0 3 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.995 13.0-152.0-122.1 130.0 32.3 -9.0 11.9 74 83 A R H > S+ 0 0 176 -2,-0.4 4,-3.5 1,-0.2 5,-0.2 0.891 97.7 54.3 -66.9 -39.6 35.3 -7.7 13.8 75 84 A K H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 109.4 48.1 -64.4 -32.1 34.5 -4.1 13.2 76 85 A L H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.864 112.0 49.6 -75.9 -36.3 31.0 -4.7 14.6 77 86 A E H X S+ 0 0 56 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.965 111.5 49.6 -60.1 -49.0 32.6 -6.4 17.6 78 87 A K H X S+ 0 0 149 -4,-3.5 4,-1.1 1,-0.2 3,-0.4 0.906 112.9 47.5 -58.4 -43.3 34.9 -3.4 17.9 79 88 A I H >< S+ 0 0 19 -4,-2.3 3,-0.8 1,-0.2 7,-0.5 0.949 107.8 53.2 -59.6 -52.9 31.9 -1.0 17.7 80 89 A R H 3< S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.675 110.5 48.7 -63.6 -19.2 29.7 -2.8 20.3 81 90 A Q H 3< S+ 0 0 129 -4,-1.3 2,-0.3 -3,-0.4 -1,-0.3 0.710 86.4 100.2 -90.0 -26.0 32.6 -2.7 22.9 82 91 A D S+ 0 0 85 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.898 93.5 44.3 -64.7 -43.6 31.6 2.8 25.2 84 93 A T H > S+ 0 0 59 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.948 116.2 45.5 -67.9 -51.9 30.8 6.0 23.3 85 94 A S H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.958 115.7 45.9 -55.1 -53.5 29.6 4.3 20.1 86 95 A S H X S+ 0 0 43 -4,-2.6 4,-2.4 -7,-0.5 -1,-0.2 0.874 114.6 48.3 -64.6 -33.9 27.4 1.8 22.0 87 96 A S H X S+ 0 0 11 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.931 112.5 46.9 -70.6 -45.7 26.0 4.5 24.3 88 97 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.943 113.0 50.8 -61.3 -44.9 25.2 6.9 21.4 89 98 A N H < S+ 0 0 37 -4,-3.0 4,-0.3 -5,-0.3 3,-0.3 0.950 112.1 47.7 -55.2 -50.4 23.6 4.0 19.5 90 99 A F H >< S+ 0 0 53 -4,-2.4 3,-2.6 -5,-0.2 4,-0.2 0.962 108.3 51.8 -56.7 -55.2 21.5 3.1 22.5 91 100 A L H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.782 97.5 66.7 -57.7 -31.7 20.2 6.6 23.3 92 101 A T T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.617 83.8 76.4 -67.6 -8.0 19.0 7.1 19.7 93 102 A R T < S+ 0 0 124 -3,-2.6 2,-0.5 -4,-0.3 -1,-0.3 0.657 77.2 89.3 -72.9 -13.5 16.5 4.4 20.4 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.2 -4,-0.2 2,-0.3 -0.725 92.2-115.2 -84.0 125.5 14.5 7.0 22.5 95 104 A S T 3 S+ 0 0 35 -2,-0.5 35,-0.5 35,-0.3 36,-0.2 -0.462 104.2 29.0 -63.2 124.0 12.1 8.9 20.3 96 105 A G T 3 S+ 0 0 31 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.208 98.2 98.0 106.7 -14.0 13.2 12.5 20.2 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.946 51.1 170.2-104.6 114.5 16.9 11.7 20.7 98 107 A G > - 0 0 30 -2,-0.6 4,-2.6 -3,-0.1 5,-0.3 -0.348 54.2 -70.7-105.9-167.2 18.7 11.6 17.3 99 108 A P H > S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.850 130.4 47.1 -58.1 -38.1 22.4 11.5 16.5 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.933 114.8 42.2 -72.6 -47.2 23.2 15.0 17.7 101 110 A A H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 113.9 53.2 -65.5 -42.0 21.3 14.9 21.1 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.920 110.2 47.8 -57.6 -43.9 22.6 11.3 21.8 103 112 A R H X S+ 0 0 76 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.896 112.9 47.7 -66.6 -39.1 26.2 12.5 21.3 104 113 A K H X S+ 0 0 118 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.913 112.8 49.2 -69.2 -43.6 25.7 15.6 23.4 105 114 A F H <>S+ 0 0 12 -4,-3.0 5,-2.6 2,-0.2 3,-0.4 0.945 112.3 47.3 -56.2 -51.6 24.1 13.5 26.2 106 115 A V H ><5S+ 0 0 11 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.921 106.8 58.2 -62.0 -40.0 26.9 10.9 26.1 107 116 A D H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.3 47.9 -55.5 -37.2 29.6 13.7 26.1 108 117 A E T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.144 127.3 -97.4 -94.2 21.5 28.1 14.9 29.4 109 118 A G T < 5S+ 0 0 46 -3,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.596 84.1 129.7 80.4 11.9 28.0 11.4 31.0 110 119 A I < + 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.829 19.5 137.6-100.3 98.3 24.4 10.7 30.3 111 120 A K + 0 0 63 -2,-0.8 2,-0.3 -5,-0.1 -20,-0.1 0.386 47.8 52.9-129.2 2.5 24.4 7.3 28.7 112 121 A T S > S- 0 0 41 1,-0.1 4,-1.9 -22,-0.1 5,-0.1 -0.847 82.6-103.9-137.2 170.9 21.6 5.0 30.0 113 122 A L H > S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.871 122.4 52.7 -64.8 -34.9 17.8 5.0 30.5 114 123 A E H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 106.5 52.0 -66.0 -41.6 18.4 5.6 34.2 115 124 A D H > S+ 0 0 37 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.872 108.8 51.8 -61.4 -37.8 20.6 8.6 33.5 116 125 A L H >< S+ 0 0 1 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.941 110.9 47.0 -64.7 -46.6 17.8 10.0 31.3 117 126 A R H >< S+ 0 0 146 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.919 111.8 50.7 -57.4 -46.1 15.3 9.5 34.1 118 127 A K H 3< S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.690 116.6 42.6 -65.1 -20.3 17.7 11.2 36.6 119 128 A N T X< + 0 0 34 -4,-0.9 3,-3.3 -3,-0.6 4,-0.4 0.023 66.2 137.7-117.7 27.7 18.1 14.1 34.1 120 129 A E G X + 0 0 113 -3,-1.2 3,-2.3 1,-0.3 -1,-0.1 0.788 66.0 70.8 -42.9 -36.8 14.5 14.7 33.0 121 130 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.732 96.3 50.7 -53.0 -28.2 15.2 18.4 33.3 122 131 A K G < S+ 0 0 106 -3,-3.3 2,-0.3 -6,-0.2 -1,-0.3 0.435 95.0 93.0 -93.8 -0.4 17.4 18.3 30.3 123 132 A L < - 0 0 9 -3,-2.3 2,-0.1 -4,-0.4 -7,-0.0 -0.697 68.8-137.5 -92.3 143.9 14.8 16.4 28.2 124 133 A N > - 0 0 80 -2,-0.3 4,-2.8 -28,-0.1 5,-0.3 -0.417 37.5 -90.1 -90.1 177.3 12.3 18.2 25.9 125 134 A H H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.895 127.0 46.7 -58.3 -44.4 8.6 17.3 25.7 126 135 A H H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 113.8 48.1 -63.0 -46.9 9.1 14.8 22.8 127 136 A Q H > S+ 0 0 13 -31,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 107.7 54.7 -64.8 -38.4 12.1 13.2 24.6 128 137 A R H X S+ 0 0 101 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.893 112.0 45.7 -59.2 -37.1 10.3 12.9 27.9 129 138 A I H X S+ 0 0 7 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.916 109.8 52.9 -71.7 -44.9 7.5 11.1 26.1 130 139 A G H < S+ 0 0 0 -4,-2.7 -35,-0.3 -35,-0.5 -2,-0.2 0.859 112.7 46.3 -53.9 -38.0 10.0 8.9 24.2 131 140 A L H >< S+ 0 0 25 -4,-2.3 3,-1.4 -5,-0.2 4,-0.3 0.904 108.9 54.6 -72.1 -43.4 11.5 7.9 27.6 132 141 A K H 3< S+ 0 0 143 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.907 120.8 30.4 -57.9 -43.7 8.1 7.3 29.2 133 142 A Y T 3X S+ 0 0 12 -4,-2.4 4,-3.0 1,-0.2 -1,-0.3 0.024 80.0 129.3-106.9 29.3 7.1 4.8 26.4 134 143 A F H <> S+ 0 0 24 -3,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.900 79.7 37.8 -52.5 -48.8 10.5 3.5 25.6 135 144 A G H >> S+ 0 0 44 -4,-0.3 3,-1.6 -3,-0.3 4,-1.0 0.963 115.7 52.0 -69.1 -51.4 9.5 -0.1 25.9 136 145 A D H >4 S+ 0 0 39 1,-0.3 3,-1.2 2,-0.2 -2,-0.2 0.891 105.0 55.9 -48.3 -47.3 6.1 0.2 24.4 137 146 A F H 3< S+ 0 0 43 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.643 106.0 52.0 -69.1 -14.4 7.4 2.0 21.3 138 147 A E H << S+ 0 0 90 -3,-1.6 -1,-0.3 -4,-0.5 2,-0.2 0.616 91.4 91.8 -95.0 -12.4 9.7 -0.9 20.6 139 148 A K S << S- 0 0 126 -3,-1.2 2,-0.1 -4,-1.0 -3,-0.0 -0.551 79.1-122.8 -74.1 142.5 6.9 -3.5 20.8 140 149 A R - 0 0 141 -2,-0.2 40,-0.2 103,-0.1 -2,-0.1 -0.487 17.9-119.5 -84.0 160.0 5.2 -4.3 17.5 141 150 A I E -A 179 0A 1 38,-3.2 38,-2.3 -2,-0.1 40,-0.1 -0.892 24.3-129.7-102.8 114.9 1.5 -3.9 16.9 142 151 A P E >> -A 178 0A 52 0, 0.0 4,-1.9 0, 0.0 3,-1.4 -0.342 20.7-120.4 -60.0 139.8 -0.4 -7.2 16.0 143 152 A R H 3> S+ 0 0 62 34,-3.0 4,-2.4 1,-0.3 5,-0.2 0.827 114.2 63.1 -51.8 -31.8 -2.5 -6.8 12.9 144 153 A E H 3> S+ 0 0 141 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.887 106.6 42.5 -60.8 -39.8 -5.5 -7.7 15.1 145 154 A E H <> S+ 0 0 32 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.801 108.5 59.2 -76.4 -31.7 -4.9 -4.6 17.2 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.878 105.7 50.4 -61.6 -38.0 -4.3 -2.5 14.0 147 156 A L H X S+ 0 0 60 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.6 49.1 -64.9 -45.1 -7.8 -3.5 12.9 148 157 A Q H X S+ 0 0 81 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.882 114.5 46.1 -58.7 -39.9 -9.3 -2.4 16.3 149 158 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 110.0 54.3 -72.0 -41.9 -7.4 0.9 16.0 150 159 A Q H X S+ 0 0 45 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.947 107.2 49.7 -53.1 -52.7 -8.5 1.3 12.4 151 160 A D H X S+ 0 0 107 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 112.1 48.4 -60.4 -41.5 -12.2 0.9 13.2 152 161 A I H X S+ 0 0 39 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.887 112.9 47.8 -62.6 -43.4 -11.9 3.5 16.0 153 162 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.988 115.4 42.7 -64.2 -55.6 -10.0 6.0 13.8 154 163 A L H X S+ 0 0 66 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.908 115.9 51.1 -56.7 -41.8 -12.4 5.8 10.9 155 164 A N H X S+ 0 0 73 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.942 112.2 42.9 -61.7 -51.5 -15.4 5.8 13.2 156 165 A E H X S+ 0 0 15 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.845 111.2 56.4 -66.9 -33.3 -14.4 8.9 15.2 157 166 A V H >X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.3 3,-1.3 0.948 106.4 50.2 -62.7 -47.8 -13.4 10.7 12.0 158 167 A K H 3< S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.888 102.6 61.7 -53.9 -41.1 -16.9 10.1 10.7 159 168 A K H 3< S+ 0 0 114 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.761 106.2 46.1 -59.3 -23.6 -18.3 11.5 13.9 160 169 A V H << S- 0 0 40 -3,-1.3 2,-0.3 -4,-0.8 -1,-0.2 0.909 138.6 -17.2 -82.9 -46.7 -16.6 14.8 13.1 161 170 A D >< - 0 0 61 -4,-2.0 3,-1.3 -5,-0.1 -1,-0.3 -0.861 52.4-140.8-163.4 127.0 -17.8 14.9 9.5 162 171 A S T 3 S+ 0 0 85 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.715 99.9 61.4 -61.8 -23.2 -19.1 12.2 7.3 163 172 A E T 3 S+ 0 0 108 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.662 76.9 104.0 -85.9 -14.4 -17.2 13.5 4.2 164 173 A Y < - 0 0 12 -3,-1.3 2,-0.4 -7,-0.2 24,-0.2 -0.366 59.7-154.4 -53.4 144.3 -13.7 13.1 5.8 165 174 A I E -B 187 0B 79 22,-1.9 22,-1.3 2,-0.0 2,-0.5 -0.979 9.4-168.4-124.2 117.8 -12.0 10.0 4.3 166 175 A A E -B 186 0B 13 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.901 2.8-172.8-107.0 134.7 -9.3 8.3 6.5 167 176 A T E -B 185 0B 24 18,-2.7 18,-3.0 -2,-0.5 2,-0.6 -0.980 18.3-142.4-129.6 122.0 -7.0 5.7 5.1 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.713 35.7 162.3 -79.1 118.3 -4.6 3.6 7.1 169 178 A C E > +B 183 0B 1 14,-2.1 3,-0.6 -2,-0.6 14,-0.6 -0.185 27.4 75.7-114.8-153.0 -1.4 3.2 5.0 170 179 A G T 3> S- 0 0 5 92,-1.4 4,-1.0 89,-0.3 3,-0.5 -0.434 114.0 -25.5 80.6-157.5 2.1 2.1 6.0 171 180 A S T 34>S+ 0 0 14 1,-0.2 5,-2.2 2,-0.2 3,-0.3 0.830 135.8 65.4 -61.1 -33.2 2.9 -1.5 6.7 172 181 A F T X45S+ 0 0 12 -3,-0.6 3,-1.5 9,-0.3 -1,-0.2 0.929 102.9 46.7 -52.6 -46.9 -0.7 -2.0 7.7 173 182 A R T 345S+ 0 0 66 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.754 103.9 61.1 -72.9 -22.9 -1.8 -1.3 4.1 174 183 A R T 3<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.397 120.5-111.5 -80.3 2.3 0.9 -3.6 2.8 175 184 A G T < 5 + 0 0 26 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.675 55.4 171.0 79.5 19.2 -0.9 -6.4 4.7 176 185 A A < - 0 0 28 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.257 38.1-134.6 -60.5 148.2 1.9 -6.9 7.3 177 186 A E S S+ 0 0 147 1,-0.2 -34,-3.0 -35,-0.1 2,-0.3 0.723 92.4 22.9 -80.8 -22.3 1.0 -9.1 10.3 178 187 A S E S-A 142 0A 39 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.987 72.7-157.1-138.8 152.7 2.5 -6.6 12.7 179 188 A S E -A 141 0A 2 -38,-2.3 -38,-3.2 -2,-0.3 3,-0.1 -0.921 20.5-140.8-126.1 149.6 3.2 -2.9 12.3 180 189 A G S S- 0 0 38 -2,-0.3 64,-0.4 -40,-0.2 2,-0.3 0.760 85.1 -21.2 -76.9 -25.9 5.6 -0.6 14.1 181 190 A D S S- 0 0 34 62,-0.1 2,-0.5 -40,-0.1 -9,-0.3 -0.920 71.9 -91.6-163.4-178.5 3.0 2.2 14.2 182 191 A M E - c 0 245B 0 62,-2.0 64,-2.7 -2,-0.3 2,-0.5 -0.973 30.8-167.5-115.8 125.1 -0.2 3.4 12.7 183 192 A D E -Bc 169 246B 33 -14,-0.6 -14,-2.1 -2,-0.5 2,-0.5 -0.956 6.2-167.5-111.9 124.7 -0.1 5.9 9.8 184 193 A V E -Bc 168 247B 6 62,-3.5 64,-3.2 -2,-0.5 2,-0.5 -0.954 9.5-158.1-119.0 125.9 -3.3 7.6 8.8 185 194 A L E -Bc 167 248B 5 -18,-3.0 -18,-2.7 -2,-0.5 2,-0.4 -0.896 17.9-164.3 -97.7 126.3 -3.9 9.6 5.6 186 195 A L E +Bc 166 249B 1 62,-4.1 64,-2.6 -2,-0.5 2,-0.3 -0.865 12.0 172.9-114.8 143.8 -6.7 12.1 5.9 187 196 A T E -B 165 0B 2 -22,-1.3 -22,-1.9 -2,-0.4 5,-0.1 -0.962 9.4-173.5-140.0 161.8 -8.7 14.0 3.2 188 197 A H > - 0 0 24 3,-0.5 3,-2.5 62,-0.4 64,-0.5 -0.952 33.4-124.2-154.9 138.5 -11.7 16.3 3.1 189 198 A P T 3 S+ 0 0 58 0, 0.0 64,-0.1 0, 0.0 -1,-0.1 0.775 109.4 64.2 -60.2 -24.4 -13.5 17.7 -0.0 190 199 A S T 3 S+ 0 0 62 1,-0.1 2,-0.6 -3,-0.0 10,-0.0 0.673 96.4 67.9 -68.3 -16.9 -13.0 21.2 1.3 191 200 A F < + 0 0 33 -3,-2.5 61,-2.7 59,-0.1 -3,-0.5 -0.906 62.3 134.0-115.6 110.7 -9.2 20.8 1.1 192 201 A T - 0 0 44 -2,-0.6 -2,-0.0 59,-0.3 -5,-0.0 -0.799 69.9 -75.6-136.8-177.5 -7.6 20.6 -2.4 193 202 A S S S+ 0 0 71 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.814 127.1 34.4 -51.4 -36.5 -4.5 22.1 -4.2 194 203 A E 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.887 360.0 360.0 -89.7 -44.5 -6.3 25.4 -4.8 195 204 A S 0 0 101 2,-0.0 -4,-0.1 -5,-0.0 -5,-0.0 0.241 360.0 360.0 -51.8 360.0 -8.5 26.1 -1.7 196 ! 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 0.0 197 207 A Q >> 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 141.0 -7.7 24.3 6.2 198 208 A P T 34 + 0 0 91 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.590 360.0 7.9 -57.1 -33.1 -7.4 25.9 9.6 199 209 A K T 3> S+ 0 0 123 2,-0.1 4,-2.8 3,-0.1 5,-0.2 0.176 93.2 111.0-131.4 16.6 -9.0 23.3 11.9 200 210 A L H <> S+ 0 0 9 -3,-1.6 4,-0.5 2,-0.2 23,-0.1 0.924 93.8 28.6 -60.3 -48.4 -9.5 20.3 9.5 201 211 A L H >X S+ 0 0 1 -4,-0.6 4,-2.4 21,-0.4 3,-1.1 0.904 117.5 59.6 -76.5 -43.9 -6.8 18.2 11.2 202 212 A H H 3> S+ 0 0 63 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.873 101.1 55.5 -53.3 -42.8 -7.3 19.8 14.6 203 213 A Q H 3X S+ 0 0 78 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.815 110.5 45.7 -59.4 -32.7 -10.9 18.7 14.7 204 214 A V H S+ 0 0 1 -4,-2.0 5,-2.3 1,-0.2 6,-1.9 0.804 111.2 47.9 -69.3 -29.8 -9.5 11.3 19.1 209 219 A Q H ><5S+ 0 0 69 -4,-2.0 3,-1.7 4,-0.2 -1,-0.2 0.871 106.5 57.9 -71.6 -39.5 -8.3 12.9 22.3 210 220 A K H 3<5S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.866 107.9 44.9 -64.1 -39.0 -11.8 13.3 23.6 211 221 A V T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.268 117.7-118.6 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