==== 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 3RJI . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.3 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 3 0 1 2 2 1 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 0 180 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -16.3 9.6 -15.6 12.7 2 11 A L T 3 + 0 0 77 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.904 360.0 12.9 -54.2 -47.2 10.8 -17.6 9.6 3 12 A N T 3> S+ 0 0 14 35,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.191 89.1 139.6-122.1 37.4 14.2 -15.9 9.8 4 13 A G H <> + 0 0 16 -3,-1.3 4,-3.2 1,-0.2 5,-0.3 0.897 66.6 56.8 -47.6 -52.3 13.7 -14.4 13.2 5 14 A G H > S+ 0 0 36 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.922 111.8 42.4 -47.5 -52.1 17.3 -15.1 14.3 6 15 A I H > S+ 0 0 5 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.914 115.4 47.8 -64.3 -44.9 18.7 -13.2 11.4 7 16 A T H X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.884 110.0 52.7 -67.1 -35.7 16.3 -10.3 11.7 8 17 A D H X S+ 0 0 115 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.929 110.2 49.4 -63.1 -42.6 16.8 -9.9 15.4 9 18 A M H X S+ 0 0 9 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.928 111.0 47.8 -61.0 -48.1 20.5 -9.7 14.9 10 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.883 112.0 50.9 -61.6 -38.6 20.3 -7.1 12.2 11 20 A T H X S+ 0 0 58 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.890 107.8 51.4 -67.0 -41.7 17.9 -5.1 14.4 12 21 A E H X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 112.1 48.2 -62.5 -40.1 20.3 -5.2 17.4 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 109.2 52.8 -66.2 -40.2 23.0 -4.0 15.0 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.938 109.9 48.5 -59.9 -45.8 20.7 -1.2 13.7 15 24 A N H X S+ 0 0 68 -4,-2.7 4,-3.2 1,-0.2 5,-0.4 0.899 110.0 52.2 -61.5 -40.8 20.1 -0.1 17.3 16 25 A F H X>S+ 0 0 25 -4,-2.2 5,-2.1 1,-0.2 4,-1.5 0.908 109.8 48.0 -61.7 -44.2 23.8 -0.1 18.1 17 26 A E H <5S+ 0 0 9 -4,-2.3 6,-3.8 3,-0.2 -1,-0.2 0.844 118.5 41.1 -66.6 -34.0 24.7 2.1 15.1 18 27 A K H <5S+ 0 0 75 -4,-1.9 -2,-0.2 4,-0.3 -1,-0.2 0.935 125.7 31.1 -79.1 -49.6 21.9 4.6 15.9 19 28 A N H <5S+ 0 0 23 -4,-3.2 -3,-0.2 -5,-0.2 84,-0.2 0.958 134.5 20.5 -75.7 -55.0 22.3 4.7 19.7 20 29 A V T <5S+ 0 0 11 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.948 133.0 34.4 -81.7 -57.0 26.0 4.1 20.3 21 30 A S S > + 0 0 25 -6,-3.8 4,-2.0 1,-0.1 3,-0.9 -0.705 25.6 179.7-118.3 76.5 25.4 6.6 12.5 24 33 A I H 3> S+ 0 0 79 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.755 79.3 54.4 -49.2 -32.6 21.8 7.1 11.3 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.888 107.6 48.1 -74.7 -35.3 22.6 5.9 7.8 26 35 A K H <> S+ 0 0 119 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.863 109.6 55.6 -69.1 -34.3 24.1 2.6 9.0 27 36 A Y H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.943 107.9 46.8 -61.5 -48.5 21.0 2.2 11.2 28 37 A N H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.904 108.6 57.4 -61.2 -39.8 18.8 2.6 8.1 29 38 A A H X S+ 0 0 51 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.911 111.0 40.9 -57.9 -45.3 20.9 0.2 6.2 30 39 A Y H X S+ 0 0 24 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.919 112.1 55.8 -69.9 -42.2 20.4 -2.5 8.8 31 40 A R H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 111.5 45.0 -54.8 -42.5 16.7 -1.7 9.2 32 41 A K H X S+ 0 0 82 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.950 112.0 48.6 -68.3 -51.5 16.3 -2.2 5.5 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 22,-0.3 5,-0.2 0.911 114.3 49.4 -55.0 -40.7 18.3 -5.4 5.2 34 43 A A H X S+ 0 0 9 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.921 110.1 50.3 -63.9 -45.6 16.2 -6.6 8.2 35 44 A S H X S+ 0 0 13 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.934 111.2 47.3 -60.3 -47.6 13.0 -5.6 6.5 36 45 A V H X S+ 0 0 15 -4,-2.9 4,-1.1 1,-0.2 3,-0.5 0.920 112.2 49.0 -62.5 -44.4 13.7 -7.4 3.2 37 46 A I H >< S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.888 105.2 60.5 -62.3 -38.5 14.8 -10.6 4.9 38 47 A A H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.0 42.7 -59.3 -34.4 11.6 -10.5 7.0 39 48 A K H 3< S+ 0 0 159 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.652 84.7 114.9 -87.6 -15.3 9.4 -10.7 4.0 40 49 A Y << - 0 0 45 -4,-1.1 4,-0.1 -3,-0.5 -37,-0.1 -0.397 63.6-144.0 -58.2 120.8 11.5 -13.3 2.2 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.363 72.4 72.3 -69.8 1.5 9.2 -16.4 2.0 42 51 A H S S- 0 0 104 -39,-0.0 2,-0.9 0, 0.0 -2,-0.0 -0.792 87.3-108.5-119.4 163.3 12.1 -18.9 2.5 43 52 A K - 0 0 148 -2,-0.3 -40,-0.1 -40,-0.0 2,-0.1 -0.811 44.6-124.8 -90.3 107.3 14.3 -20.0 5.4 44 53 A I - 0 0 6 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.318 30.3-179.2 -58.3 127.9 17.6 -18.5 4.6 45 54 A K + 0 0 152 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.398 63.3 13.9-109.1 -2.9 20.4 -21.2 4.5 46 55 A S > - 0 0 36 1,-0.1 4,-1.0 22,-0.0 -1,-0.2 -0.985 67.8-114.9-166.5 161.0 23.4 -19.0 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.803 115.3 59.5 -70.4 -28.6 24.6 -15.4 3.4 48 57 A A H > S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.908 103.5 49.8 -65.1 -42.9 25.0 -15.9 -0.4 49 58 A E H 4 S+ 0 0 33 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.795 113.9 48.4 -65.1 -28.5 21.2 -16.6 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.0 3,-1.4 1,-0.2 -2,-0.2 0.882 98.8 63.4 -79.2 -42.4 20.6 -13.5 1.4 51 60 A K H 3< S+ 0 0 102 -4,-2.7 5,-0.2 1,-0.3 -1,-0.2 0.720 90.6 71.7 -56.5 -20.4 22.9 -11.1 -0.6 52 61 A K T 3< S+ 0 0 170 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.928 82.9 81.0 -61.2 -43.9 20.6 -11.7 -3.5 53 62 A L S X S- 0 0 27 -3,-1.4 3,-1.4 -4,-0.4 2,-0.2 -0.369 95.6-107.9 -64.6 137.6 17.9 -9.6 -1.8 54 63 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.479 104.6 38.7 -70.1 133.7 18.5 -5.9 -2.3 55 64 A G T 3 S+ 0 0 36 1,-0.2 2,-0.7 -2,-0.2 -22,-0.3 0.167 93.2 101.1 110.6 -15.2 19.6 -4.1 0.9 56 65 A V < + 0 0 7 -3,-1.4 -1,-0.2 -5,-0.2 -26,-0.0 -0.910 50.8 176.0-106.8 111.5 21.9 -7.0 1.8 57 66 A G > - 0 0 37 -2,-0.7 4,-0.8 -3,-0.1 -4,-0.1 0.066 48.0 -79.7 -93.2-153.4 25.5 -6.3 0.9 58 67 A T H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.916 123.3 56.3 -80.6 -44.2 28.7 -8.3 1.5 59 68 A K H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.910 111.1 43.8 -53.7 -47.5 29.2 -7.4 5.1 60 69 A I H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.823 108.6 59.5 -70.1 -28.6 25.7 -8.5 6.2 61 70 A A H X S+ 0 0 8 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.924 106.3 47.5 -64.0 -43.2 26.2 -11.7 4.1 62 71 A E H X S+ 0 0 110 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 109.7 52.0 -63.6 -45.7 29.2 -12.6 6.1 63 72 A K H X S+ 0 0 27 -4,-1.8 4,-3.6 1,-0.2 -1,-0.2 0.902 108.6 51.8 -58.0 -41.7 27.4 -12.0 9.4 64 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.889 108.9 49.8 -63.2 -39.0 24.6 -14.2 8.3 65 74 A D H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.929 113.3 47.4 -64.3 -42.4 27.1 -16.9 7.5 66 75 A E H X>S+ 0 0 36 -4,-2.7 4,-2.9 1,-0.2 5,-0.7 0.953 113.1 48.2 -61.9 -49.6 28.6 -16.4 10.9 67 76 A F H X5S+ 0 0 44 -4,-3.6 4,-1.5 1,-0.2 -2,-0.2 0.868 110.3 50.3 -60.5 -40.7 25.2 -16.5 12.6 68 77 A L H <5S+ 0 0 70 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.943 119.0 37.6 -64.3 -46.3 23.9 -19.6 10.8 69 78 A A H <5S+ 0 0 90 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.977 132.7 23.6 -70.0 -57.6 27.1 -21.6 11.7 70 79 A T H <5S- 0 0 77 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.779 94.7-130.2 -82.3 -28.1 27.7 -20.3 15.3 71 80 A G S < - 0 0 3 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.969 7.9-152.8-135.1 118.6 27.7 -12.9 16.2 74 83 A R H > S+ 0 0 161 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.894 98.2 59.7 -52.5 -46.4 31.0 -12.0 17.7 75 84 A K H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 113.5 38.2 -50.3 -45.4 30.6 -8.3 16.9 76 85 A L H > S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.848 107.5 62.5 -74.9 -36.6 27.5 -8.3 19.0 77 86 A E H X S+ 0 0 78 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.845 110.7 43.3 -56.4 -31.9 28.8 -10.6 21.7 78 87 A K H >X S+ 0 0 167 -4,-2.1 4,-2.2 -5,-0.2 3,-1.3 0.936 108.2 53.9 -78.7 -53.0 31.4 -7.8 22.3 79 88 A I H 3< S+ 0 0 18 -4,-1.9 7,-0.3 1,-0.3 -2,-0.2 0.886 106.1 57.1 -50.2 -39.4 29.0 -4.8 22.1 80 89 A R H 3< S+ 0 0 96 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.831 108.2 46.3 -62.7 -32.5 27.0 -6.6 24.8 81 90 A Q H << S+ 0 0 137 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.893 87.6 96.7 -77.3 -42.5 30.0 -6.7 27.1 82 91 A D X - 0 0 73 -4,-2.2 4,-2.2 1,-0.1 5,-0.2 -0.272 66.5-149.9 -52.1 123.9 31.2 -3.1 26.6 83 92 A D H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.879 92.0 53.1 -66.2 -41.2 29.7 -1.1 29.5 84 93 A T H > S+ 0 0 54 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.926 112.2 44.7 -63.3 -44.1 29.4 2.2 27.7 85 94 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.941 114.0 49.5 -64.4 -47.0 27.4 0.6 24.9 86 95 A S H X S+ 0 0 48 -4,-2.2 4,-2.1 -7,-0.3 -2,-0.2 0.929 115.8 44.3 -56.5 -45.5 25.2 -1.4 27.3 87 96 A S H X S+ 0 0 16 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.929 113.1 48.4 -66.3 -48.1 24.6 1.8 29.3 88 97 A I H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.917 111.5 52.0 -60.4 -41.6 24.0 4.1 26.3 89 98 A N H < S+ 0 0 41 -4,-3.0 4,-0.4 -5,-0.2 -1,-0.2 0.927 110.5 47.6 -61.0 -45.8 21.6 1.5 24.9 90 99 A F H >< S+ 0 0 44 -4,-2.1 3,-2.1 -5,-0.2 -2,-0.2 0.957 110.1 50.7 -60.5 -52.9 19.6 1.3 28.1 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 6,-0.2 0.868 101.6 61.9 -53.0 -42.2 19.3 5.1 28.6 92 101 A T T 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.634 87.6 74.7 -62.3 -11.8 18.0 5.5 25.1 93 102 A R T < S+ 0 0 123 -3,-2.1 2,-0.5 -4,-0.4 -1,-0.3 0.579 77.3 90.5 -77.7 -7.0 15.0 3.4 26.0 94 103 A V S X S- 0 0 2 -3,-2.2 3,-2.1 -4,-0.2 2,-0.1 -0.774 91.7-114.6 -88.2 129.6 13.7 6.3 28.0 95 104 A S T 3 S+ 0 0 33 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.443 104.1 27.2 -62.5 133.4 11.4 8.4 25.9 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.125 97.2 101.3 100.6 -22.8 13.2 11.8 25.4 97 106 A I < + 0 0 6 -3,-2.1 -3,-0.2 -6,-0.2 -1,-0.2 -0.867 51.1 178.4-100.6 110.0 16.7 10.5 25.9 98 107 A G > - 0 0 30 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.268 47.8 -80.2 -96.9-171.9 18.4 10.1 22.5 99 108 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 127.8 48.6 -56.8 -41.2 22.0 9.0 21.6 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.972 115.4 41.2 -65.9 -54.9 23.5 12.4 22.4 101 110 A A H > S+ 0 0 24 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 114.1 54.6 -60.6 -41.1 21.9 12.8 25.8 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.953 108.7 46.3 -58.3 -52.1 22.5 9.2 26.7 103 112 A R H X S+ 0 0 84 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.865 113.8 51.5 -58.7 -36.2 26.2 9.4 26.0 104 113 A K H >X S+ 0 0 115 -4,-2.0 4,-1.6 2,-0.2 3,-0.8 0.963 108.1 49.2 -65.7 -53.1 26.3 12.6 28.0 105 114 A F H 3X>S+ 0 0 13 -4,-3.1 5,-2.7 1,-0.3 4,-0.5 0.890 108.8 54.3 -52.9 -43.1 24.5 11.1 31.0 106 115 A V H ><5S+ 0 0 14 -4,-2.4 3,-0.6 1,-0.2 -1,-0.3 0.833 105.0 55.0 -61.4 -31.7 27.0 8.2 30.9 107 116 A D H <<5S+ 0 0 130 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.837 107.9 48.1 -69.6 -33.5 29.8 10.8 31.0 108 117 A E H 3<5S- 0 0 94 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.477 125.6-100.5 -86.0 -2.6 28.3 12.3 34.2 109 118 A G T <<5S+ 0 0 43 -3,-0.6 2,-0.9 -4,-0.5 -3,-0.2 0.465 82.8 130.0 97.9 2.2 28.0 8.9 35.8 110 119 A I < + 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.803 17.5 131.8 -93.1 104.4 24.2 8.5 35.2 111 120 A K + 0 0 81 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.287 52.5 55.9-138.4 10.3 23.8 5.0 33.6 112 121 A T S > S- 0 0 56 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.941 83.8-104.2-142.6 166.2 21.0 3.2 35.4 113 122 A L H > S+ 0 0 44 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.880 121.7 52.3 -55.1 -41.2 17.4 3.5 36.3 114 123 A E H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 107.4 51.8 -63.2 -42.7 18.4 4.3 39.9 115 124 A D H 4 S+ 0 0 30 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.915 108.6 51.5 -60.5 -44.0 20.7 7.1 38.7 116 125 A L H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.912 108.8 50.3 -60.8 -42.9 17.9 8.6 36.7 117 126 A R H >< S+ 0 0 152 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.788 111.0 47.8 -68.1 -28.6 15.5 8.7 39.6 118 127 A K T 3< S+ 0 0 127 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.296 116.1 45.9 -95.2 11.0 18.0 10.3 41.9 119 128 A N T X + 0 0 32 -3,-1.2 3,-2.6 -4,-0.2 4,-0.3 -0.012 63.2 137.1-139.5 30.2 18.8 12.9 39.3 120 129 A E G X + 0 0 82 -3,-0.6 3,-1.6 1,-0.3 -2,-0.1 0.771 68.0 67.9 -49.2 -30.4 15.4 14.0 38.0 121 130 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.763 93.1 57.9 -64.3 -25.7 16.6 17.6 38.1 122 131 A K G < S+ 0 0 99 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 0.466 94.9 84.3 -84.4 0.9 19.1 16.9 35.3 123 132 A L S < S- 0 0 8 -3,-1.6 -26,-0.0 -4,-0.3 0, 0.0 -0.846 74.5-131.3-107.7 139.5 16.2 15.7 33.0 124 133 A N > - 0 0 84 -2,-0.4 4,-2.0 -28,-0.1 5,-0.2 -0.143 42.1 -86.7 -74.0 179.5 14.0 18.0 30.9 125 134 A H H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.912 126.3 47.3 -54.3 -52.3 10.1 17.6 30.9 126 135 A H H > S+ 0 0 45 1,-0.2 4,-2.4 93,-0.2 3,-0.5 0.944 113.3 48.2 -55.7 -53.3 9.9 14.9 28.2 127 136 A Q H > S+ 0 0 15 1,-0.2 4,-2.2 -31,-0.2 -1,-0.2 0.819 107.3 56.1 -59.1 -35.5 12.6 12.8 29.8 128 137 A R H X S+ 0 0 95 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.863 110.4 45.2 -68.1 -33.5 11.1 13.1 33.3 129 138 A I H X S+ 0 0 12 -4,-1.6 4,-2.4 -3,-0.5 -2,-0.2 0.890 110.0 54.1 -75.8 -39.2 7.8 11.7 31.9 130 139 A G H < S+ 0 0 1 -4,-2.4 -2,-0.2 -35,-0.4 -1,-0.2 0.895 110.9 46.7 -60.0 -40.0 9.7 8.9 30.0 131 140 A L H >< S+ 0 0 9 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.960 109.5 55.4 -64.3 -49.1 11.3 7.9 33.2 132 141 A K H 3< S+ 0 0 128 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.876 120.2 28.8 -51.4 -46.0 8.0 8.1 35.0 133 142 A Y T 3X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.118 79.9 129.6-105.8 22.3 6.3 5.6 32.6 134 143 A F H <> S+ 0 0 28 -3,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.852 77.9 43.1 -42.7 -47.2 9.4 3.6 31.7 135 144 A G H >> S+ 0 0 42 -4,-0.3 3,-1.6 -3,-0.3 4,-0.7 0.983 114.5 46.6 -65.9 -58.4 7.6 0.4 32.4 136 145 A D H >4 S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.871 106.1 60.9 -51.6 -43.6 4.2 1.1 30.8 137 146 A F H 3< S+ 0 0 42 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.693 101.2 52.1 -63.5 -19.3 5.8 2.5 27.6 138 147 A E H << S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.6 2,-0.2 0.629 90.9 95.9 -91.7 -9.0 7.6 -0.8 26.8 139 148 A K S << S- 0 0 110 -3,-1.4 2,-0.1 -4,-0.7 -3,-0.0 -0.563 76.6-123.2 -80.5 141.1 4.3 -2.7 27.1 140 149 A R - 0 0 144 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.391 19.1-122.7 -77.8 159.8 2.4 -3.5 23.9 141 150 A I E -A 179 0A 0 38,-3.1 38,-2.4 -2,-0.1 40,-0.1 -0.914 22.2-129.5-108.3 120.3 -1.3 -2.4 23.5 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.361 20.5-120.6 -64.2 148.9 -3.8 -5.2 22.7 143 152 A R H 3> S+ 0 0 56 34,-2.1 4,-2.1 1,-0.2 5,-0.2 0.870 113.6 61.5 -58.5 -34.4 -6.0 -4.4 19.7 144 153 A E H 3> S+ 0 0 138 33,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.895 105.9 44.7 -57.7 -43.0 -9.0 -4.7 22.0 145 154 A E H <> S+ 0 0 28 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.833 108.4 58.3 -70.2 -33.3 -7.7 -1.8 24.2 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.892 104.0 52.6 -61.6 -39.1 -7.0 0.1 21.0 147 156 A L H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 108.9 48.4 -65.7 -38.0 -10.6 -0.2 20.1 148 157 A Q H X S+ 0 0 75 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.898 113.0 48.8 -67.4 -39.9 -11.7 1.2 23.5 149 158 A M H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.916 109.4 51.9 -65.9 -43.0 -9.3 4.0 23.0 150 159 A Q H X S+ 0 0 54 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.945 108.6 52.1 -57.2 -48.4 -10.6 4.7 19.5 151 160 A D H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.925 111.6 45.7 -54.8 -49.6 -14.1 4.8 20.9 152 161 A I H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.960 115.1 45.7 -60.1 -54.3 -13.2 7.4 23.5 153 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.928 116.1 44.2 -57.3 -50.2 -11.2 9.7 21.3 154 163 A L H X S+ 0 0 63 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.929 115.0 48.7 -63.1 -44.0 -13.7 9.7 18.4 155 164 A N H X S+ 0 0 52 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.811 114.5 45.5 -66.2 -29.6 -16.7 10.2 20.7 156 165 A E H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.886 111.0 51.3 -79.8 -40.8 -14.9 13.0 22.5 157 166 A V H >X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.2 3,-0.7 0.924 108.3 54.0 -59.9 -43.4 -13.8 14.7 19.4 158 167 A K H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 104.7 54.6 -56.8 -42.1 -17.4 14.5 18.1 159 168 A K H 3< S+ 0 0 139 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 107.2 50.2 -65.4 -26.6 -18.6 16.3 21.3 160 169 A V H << S- 0 0 44 -4,-1.2 2,-0.2 -3,-0.7 -1,-0.2 0.898 137.8 -18.1 -77.2 -43.5 -16.2 19.2 20.7 161 170 A D >< - 0 0 44 -4,-2.0 3,-1.6 -5,-0.1 -1,-0.3 -0.821 53.3-142.1-166.5 123.9 -17.3 19.7 17.1 162 171 A S T 3 S+ 0 0 100 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.607 98.3 67.5 -65.3 -12.6 -19.2 17.3 14.8 163 172 A E T 3 S+ 0 0 109 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.537 77.1 102.5 -86.7 -6.5 -17.1 18.4 11.8 164 173 A Y < - 0 0 16 -3,-1.6 2,-0.5 -7,-0.2 24,-0.2 -0.520 57.0-158.7 -73.9 141.8 -13.9 16.9 13.2 165 174 A I E -B 187 0B 78 22,-2.4 22,-1.8 -2,-0.2 2,-0.5 -0.991 6.4-167.9-124.1 123.1 -12.8 13.6 11.7 166 175 A A E -B 186 0B 12 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.957 4.1-175.2-113.8 128.4 -10.4 11.5 13.7 167 176 A T E -B 185 0B 28 18,-2.8 18,-3.3 -2,-0.5 2,-0.6 -0.977 19.5-141.3-126.5 119.5 -8.7 8.5 12.2 168 177 A V E +B 184 0B 5 -2,-0.5 16,-0.2 16,-0.2 -2,-0.0 -0.682 35.7 164.2 -78.6 121.1 -6.5 6.1 14.1 169 178 A C >> + 0 0 1 14,-2.7 4,-1.0 -2,-0.6 3,-0.8 0.136 26.5 76.9-110.6-135.9 -3.5 5.2 11.9 170 179 A G H >> S- 0 0 5 93,-2.1 4,-1.0 1,-0.2 3,-0.5 -0.207 113.4 -23.8 62.6-154.6 -0.2 3.6 12.6 171 180 A S H 34>S+ 0 0 18 1,-0.2 5,-2.1 2,-0.2 -1,-0.2 0.799 136.5 64.8 -61.2 -29.4 0.1 -0.2 13.1 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.925 101.9 47.0 -60.4 -44.3 -3.6 -0.2 14.2 173 182 A R H <<5S+ 0 0 63 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.756 105.2 62.1 -70.1 -21.0 -4.7 0.9 10.7 174 183 A R T 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.363 121.5-107.7 -85.4 7.7 -2.4 -1.8 9.3 175 184 A G T < 5 + 0 0 39 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.504 58.5 167.2 82.5 6.6 -4.5 -4.4 11.1 176 185 A A < - 0 0 29 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.209 40.1-136.9 -57.8 139.6 -1.9 -5.3 13.8 177 186 A E S S+ 0 0 143 1,-0.1 -34,-2.1 -35,-0.1 2,-0.3 0.575 90.5 19.5 -73.5 -7.6 -3.2 -7.4 16.7 178 187 A S E S-A 142 0A 38 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.975 72.5-150.4-158.6 150.4 -1.2 -5.1 19.0 179 188 A S E -A 141 0A 0 -38,-2.4 -38,-3.1 -2,-0.3 3,-0.1 -0.888 21.7-139.2-127.1 156.2 0.3 -1.6 18.9 180 189 A G S S- 0 0 42 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.799 87.4 -28.6 -79.3 -30.6 3.2 0.3 20.4 181 190 A D S S- 0 0 30 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.916 72.4 -83.1-164.0-172.7 1.0 3.3 20.8 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.4 -2,-0.3 2,-0.5 -0.952 32.3-169.2-114.3 125.9 -2.0 5.2 19.4 183 192 A D E - c 0 247B 23 -2,-0.5 -14,-2.7 -14,-0.3 2,-0.5 -0.956 7.2-167.0-115.5 117.8 -1.5 7.6 16.5 184 193 A V E -Bc 168 248B 2 63,-3.6 65,-2.7 -2,-0.5 2,-0.5 -0.906 9.1-157.0-112.0 124.2 -4.5 9.8 15.7 185 194 A L E -Bc 167 249B 0 -18,-3.3 -18,-2.8 -2,-0.5 2,-0.4 -0.829 18.3-164.3 -94.8 134.0 -4.9 11.8 12.4 186 195 A L E +Bc 166 250B 0 63,-2.9 65,-2.8 -2,-0.5 2,-0.3 -0.954 13.0 175.0-125.4 139.6 -7.2 14.8 12.8 187 196 A T E -B 165 0B 3 -22,-1.8 -22,-2.4 -2,-0.4 5,-0.1 -0.974 4.7-178.7-138.0 152.3 -8.9 17.0 10.2 188 197 A H > - 0 0 0 3,-0.4 3,-1.9 -2,-0.3 65,-0.5 -0.979 37.1-121.6-148.6 138.0 -11.5 19.8 10.5 189 198 A P T 3 S+ 0 0 44 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.757 108.3 67.8 -54.2 -22.0 -13.0 21.7 7.6 190 199 A S T 3 S+ 0 0 13 1,-0.1 7,-1.7 6,-0.1 8,-1.1 0.271 93.4 62.1 -83.4 11.2 -11.6 24.9 9.1 191 200 A F B < +F 196 0C 30 -3,-1.9 62,-2.2 5,-0.2 -3,-0.4 -0.884 65.6 147.4-139.9 106.2 -8.0 24.0 8.4 192 201 A T - 0 0 38 3,-2.5 3,-0.4 -2,-0.4 -2,-0.0 -0.780 65.4 -96.9-130.5 174.1 -7.0 23.5 4.8 193 202 A S S S+ 0 0 61 -2,-0.2 3,-0.1 1,-0.2 94,-0.0 0.676 126.2 56.1 -65.5 -13.2 -3.9 24.0 2.6 194 203 A E S S- 0 0 162 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.791 120.9 -26.9 -88.6 -33.4 -5.7 27.3 1.8 195 204 A S - 0 0 52 -3,-0.4 -3,-2.5 3,-0.0 2,-0.9 -0.957 44.2-116.2-177.8 159.3 -6.2 28.7 5.3 196 205 A T B +F 191 0C 91 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.849 33.6 173.4-105.1 89.3 -6.6 28.3 9.0 197 206 A K + 0 0 167 -7,-1.7 -6,-0.2 -2,-0.9 -1,-0.2 0.683 69.7 37.5 -72.2 -18.4 -10.1 29.7 9.5 198 207 A Q S S- 0 0 72 -8,-1.1 3,-0.5 -3,-0.1 -1,-0.2 -0.998 75.5-144.9-138.3 132.9 -10.0 28.6 13.1 199 208 A P S S+ 0 0 95 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.368 79.0 28.8 -88.3 171.9 -7.2 28.7 15.7 200 209 A K > + 0 0 126 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 0.678 69.9 145.9 54.1 20.1 -6.6 26.1 18.5 201 210 A L H > S+ 0 0 6 -3,-0.5 4,-0.8 1,-0.2 -1,-0.1 0.917 79.5 34.9 -52.2 -45.2 -8.2 23.4 16.4 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.3 2,-0.2 3,-0.3 0.897 114.5 59.0 -74.8 -42.9 -5.7 20.9 17.9 203 212 A H H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.934 102.4 51.8 -51.3 -54.4 -5.6 22.6 21.3 204 213 A Q H X S+ 0 0 81 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.847 110.0 48.6 -55.2 -39.7 -9.4 22.2 22.0 205 214 A V H X S+ 0 0 3 -4,-0.8 4,-2.6 -5,-0.3 -1,-0.2 0.948 113.1 47.0 -66.4 -47.7 -9.4 18.5 21.2 206 215 A V H X S+ 0 0 1 -4,-2.3 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