==== 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 3RJG . 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) . 18076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.9 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 . 29 8.9 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 . 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.2 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 2 0 1 2 3 0 1 1 1 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 . 1 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 0 177 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -10.2 22.9 -15.5 11.5 2 11 A L T 3 + 0 0 90 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.832 360.0 15.7 -54.1 -36.1 25.2 -16.8 8.8 3 12 A N T 3> S+ 0 0 14 40,-0.1 4,-2.8 35,-0.1 -1,-0.3 -0.159 83.3 137.3-132.3 37.8 27.5 -13.8 9.3 4 13 A G H <> S+ 0 0 19 -3,-1.4 4,-2.8 1,-0.2 5,-0.3 0.856 72.9 54.7 -53.7 -40.5 26.2 -12.5 12.6 5 14 A G H > S+ 0 0 33 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.922 111.8 44.7 -60.7 -43.3 29.7 -11.9 13.9 6 15 A I H > S+ 0 0 3 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.923 116.3 44.0 -67.6 -46.6 30.5 -9.8 10.9 7 16 A T H X S+ 0 0 23 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.863 112.5 52.0 -69.8 -34.7 27.2 -7.8 10.9 8 17 A D H X S+ 0 0 109 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.944 110.6 51.1 -62.2 -45.7 27.4 -7.3 14.7 9 18 A M H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.933 111.5 44.7 -54.3 -54.0 30.9 -6.0 14.2 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.864 112.3 52.5 -62.2 -37.5 29.9 -3.5 11.5 11 20 A T H X S+ 0 0 60 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.887 109.6 49.4 -67.6 -36.9 26.9 -2.3 13.5 12 21 A E H X S+ 0 0 45 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.923 111.5 47.9 -68.0 -42.8 29.1 -1.7 16.5 13 22 A L H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.908 109.2 58.1 -61.5 -38.3 31.6 0.3 14.3 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.941 104.5 47.9 -55.2 -54.0 28.5 2.1 13.0 15 24 A N H X S+ 0 0 50 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.900 109.9 51.8 -57.5 -44.4 27.4 3.3 16.4 16 25 A F H X>S+ 0 0 19 -4,-1.8 5,-2.3 1,-0.2 4,-1.8 0.860 107.4 53.6 -62.6 -35.3 30.8 4.6 17.4 17 26 A E H <5S+ 0 0 30 -4,-1.9 6,-3.3 -3,-0.2 5,-0.2 0.920 118.3 35.6 -64.4 -42.6 31.1 6.6 14.1 18 27 A K H <5S+ 0 0 60 -4,-2.0 -2,-0.2 4,-0.3 6,-0.2 0.961 127.7 33.5 -74.8 -52.6 27.8 8.3 14.8 19 28 A N H <5S+ 0 0 10 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.815 132.7 20.7 -77.1 -35.5 27.9 8.7 18.6 20 29 A V T <5S+ 0 0 17 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.877 132.7 31.3-102.4 -55.2 31.6 9.2 19.2 21 30 A S S > + 0 0 27 -6,-3.3 4,-2.0 1,-0.1 3,-0.8 -0.731 23.2 176.8-119.5 75.0 30.7 10.9 11.3 24 33 A I H 3> S+ 0 0 76 -2,-0.5 4,-2.3 1,-0.3 5,-0.1 0.795 76.6 54.0 -53.1 -36.4 27.1 10.3 10.2 25 34 A H H 3> S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.851 108.6 49.1 -71.3 -32.2 28.0 9.2 6.7 26 35 A K H <> S+ 0 0 122 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.880 108.0 56.2 -71.9 -34.7 30.4 6.6 8.0 27 36 A Y H X S+ 0 0 27 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.962 111.2 42.7 -58.0 -50.6 27.6 5.4 10.3 28 37 A N H X S+ 0 0 70 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.845 109.9 57.1 -67.0 -31.7 25.3 4.9 7.3 29 38 A A H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.931 109.6 45.0 -64.4 -44.7 28.1 3.3 5.3 30 39 A Y H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.898 113.5 50.0 -65.4 -40.7 28.6 0.6 8.0 31 40 A R H X S+ 0 0 118 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.916 110.0 50.5 -64.0 -42.5 24.9 0.1 8.4 32 41 A K H X S+ 0 0 129 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.924 112.9 46.9 -59.6 -45.6 24.5 -0.3 4.6 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 22,-0.3 -2,-0.2 0.905 111.4 50.4 -62.9 -44.9 27.3 -2.9 4.6 34 43 A A H X S+ 0 0 7 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.861 112.1 49.7 -62.3 -36.4 25.9 -4.7 7.6 35 44 A S H X S+ 0 0 58 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.952 110.1 46.2 -69.0 -52.5 22.5 -4.9 5.8 36 45 A V H >X S+ 0 0 31 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.929 116.3 46.9 -57.5 -45.3 23.7 -6.2 2.5 37 46 A I H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.837 105.3 60.3 -64.8 -34.0 25.8 -8.8 4.2 38 47 A A H 3< S+ 0 0 68 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 107.7 45.9 -65.0 -25.7 22.8 -9.7 6.5 39 48 A K H << S+ 0 0 132 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.506 84.2 112.7 -94.2 -6.7 20.9 -10.6 3.4 40 49 A Y << - 0 0 51 -3,-0.9 2,-0.8 -4,-0.5 4,-0.1 -0.572 62.2-147.5 -71.2 114.9 23.7 -12.6 1.8 41 50 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.035 71.0 71.1 -75.2 33.7 22.6 -16.3 1.9 42 51 A H S S- 0 0 106 -2,-0.8 2,-0.8 0, 0.0 -2,-0.1 -0.994 87.5-106.9-148.7 151.7 26.1 -17.7 2.4 43 52 A K - 0 0 154 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.717 46.3-122.7 -81.9 112.1 28.7 -17.8 5.1 44 53 A I - 0 0 6 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 -0.297 28.8-175.9 -57.8 132.8 31.3 -15.3 4.0 45 54 A K + 0 0 182 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.548 63.4 7.8-106.4 -16.5 34.8 -16.9 3.7 46 55 A S > - 0 0 41 1,-0.1 4,-1.6 22,-0.0 3,-0.3 -0.995 68.0-109.7-161.7 163.5 36.8 -13.8 2.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.860 116.4 57.6 -64.4 -35.7 36.8 -10.0 2.5 48 57 A A H > S+ 0 0 66 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.851 103.1 53.7 -64.5 -33.4 37.1 -10.3 -1.2 49 58 A E H >4 S+ 0 0 31 -3,-0.3 3,-0.9 1,-0.2 4,-0.2 0.945 113.1 42.4 -65.0 -47.0 33.9 -12.3 -1.3 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 6,-0.3 0.817 100.5 71.6 -69.5 -31.5 32.0 -9.7 0.6 51 60 A K H 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.734 87.1 66.2 -58.3 -22.2 33.6 -6.9 -1.4 52 61 A K T << S+ 0 0 167 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.727 83.8 91.3 -72.4 -19.8 31.5 -7.9 -4.4 53 62 A L S X S- 0 0 25 -3,-2.2 3,-1.8 -4,-0.2 2,-0.5 -0.534 93.3-103.6 -77.7 139.1 28.4 -6.9 -2.5 54 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.484 108.1 28.7 -66.6 116.6 27.2 -3.3 -3.0 55 64 A G T 3 S+ 0 0 30 -2,-0.5 2,-0.6 1,-0.3 -22,-0.3 0.136 93.6 104.5 121.0 -18.0 28.2 -1.2 -0.0 56 65 A V < + 0 0 8 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.1 -0.869 48.9 174.1 -99.2 116.3 31.3 -3.2 1.0 57 66 A G > - 0 0 31 -2,-0.6 4,-1.8 -3,-0.1 5,-0.2 -0.284 47.9 -73.2-107.6-165.0 34.5 -1.5 0.1 58 67 A T H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 125.1 49.7 -59.0 -44.5 38.2 -2.0 0.6 59 68 A K H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 112.4 44.3 -64.9 -47.4 38.3 -1.1 4.3 60 69 A I H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.843 112.7 54.3 -67.4 -31.4 35.4 -3.3 5.4 61 70 A A H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.920 108.3 49.0 -66.6 -43.7 36.8 -6.1 3.3 62 71 A E H X S+ 0 0 113 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.875 111.7 49.8 -63.2 -36.8 40.1 -5.7 5.2 63 72 A K H X S+ 0 0 27 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 107.2 54.0 -69.3 -37.7 38.3 -5.7 8.5 64 73 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.900 105.9 53.1 -63.5 -40.6 36.4 -8.9 7.6 65 74 A D H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 109.7 48.4 -61.1 -42.6 39.6 -10.7 6.8 66 75 A E H X S+ 0 0 64 -4,-1.6 4,-2.5 1,-0.2 6,-0.5 0.929 111.8 49.6 -62.6 -45.2 40.9 -9.7 10.3 67 76 A F H X S+ 0 0 46 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.866 112.0 47.5 -62.0 -39.4 37.7 -10.9 12.0 68 77 A L H < S+ 0 0 73 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.896 116.7 42.9 -70.4 -39.6 37.8 -14.2 10.2 69 78 A A H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.823 133.8 17.1 -76.5 -31.9 41.4 -14.9 11.0 70 79 A T H < S- 0 0 81 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.585 94.9-120.4-116.8 -16.9 41.4 -13.7 14.6 71 80 A G S < S+ 0 0 51 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.668 85.5 45.7 83.5 14.9 37.7 -13.6 15.6 72 81 A K S S- 0 0 104 -6,-0.5 2,-0.4 4,-0.0 -2,-0.3 -0.976 77.9-109.0-169.4 179.3 37.9 -9.9 16.4 73 82 A L > - 0 0 5 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.983 16.6-148.9-128.4 118.2 39.0 -6.5 15.4 74 83 A R H > S+ 0 0 194 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.894 99.8 48.8 -52.0 -46.2 41.8 -4.7 17.3 75 84 A K H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 113.6 46.6 -64.1 -39.2 40.4 -1.2 16.7 76 85 A L H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.939 110.7 52.0 -67.6 -45.8 37.0 -2.3 17.9 77 86 A E H X S+ 0 0 69 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.892 111.0 49.8 -55.7 -41.8 38.4 -4.1 21.0 78 87 A K H >X S+ 0 0 123 -4,-2.3 4,-0.8 -5,-0.2 3,-0.6 0.948 109.9 47.1 -63.2 -52.7 40.3 -0.9 21.9 79 88 A I H >< S+ 0 0 46 -4,-2.2 3,-0.8 1,-0.2 7,-0.3 0.877 106.7 60.3 -60.0 -37.0 37.3 1.4 21.6 80 89 A R H 3< S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 106.8 45.5 -58.3 -38.1 35.2 -1.0 23.7 81 90 A Q H << S+ 0 0 135 -4,-1.2 2,-0.5 -3,-0.6 -1,-0.3 0.603 87.3 108.7 -82.0 -12.7 37.7 -0.7 26.6 82 91 A D S+ 0 0 85 -2,-0.5 4,-1.5 2,-0.2 5,-0.2 0.925 90.2 44.6 -60.0 -47.9 36.0 4.6 29.3 84 93 A T H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.965 118.5 40.1 -63.4 -54.3 35.2 7.9 27.6 85 94 A S H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.897 114.5 50.5 -65.1 -43.4 34.1 6.5 24.2 86 95 A S H X S+ 0 0 38 -4,-2.5 4,-2.1 -7,-0.3 -1,-0.2 0.874 114.0 48.0 -63.6 -34.5 32.1 3.5 25.5 87 96 A S H X S+ 0 0 15 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.886 110.8 48.8 -72.4 -41.1 30.3 5.9 27.9 88 97 A I H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.977 113.3 48.2 -61.6 -51.8 29.5 8.5 25.2 89 98 A N H >< S+ 0 0 30 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.900 112.8 49.6 -53.7 -45.0 28.2 5.7 22.9 90 99 A F H >< S+ 0 0 52 -4,-2.1 3,-2.4 1,-0.2 4,-0.2 0.932 102.1 59.0 -63.2 -49.0 26.1 4.3 25.7 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.765 91.9 69.9 -54.8 -27.1 24.5 7.6 26.8 92 101 A T T << S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.583 79.0 77.7 -69.8 -7.8 23.0 8.1 23.4 93 102 A R T < S+ 0 0 126 -3,-2.4 2,-0.6 -4,-0.2 -1,-0.3 0.655 76.6 90.7 -72.8 -12.4 20.6 5.2 24.0 94 103 A V S X S- 0 0 1 -3,-1.9 3,-2.2 -4,-0.2 2,-0.1 -0.739 91.9-117.2 -83.5 123.3 18.7 7.7 26.2 95 104 A S T 3 S+ 0 0 41 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.421 102.7 28.0 -61.8 131.0 16.1 9.3 24.0 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.070 98.1 101.0 103.0 -23.8 16.9 13.0 23.8 97 106 A I < + 0 0 5 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.859 51.0 173.7 -99.0 109.7 20.6 12.5 24.3 98 107 A G > - 0 0 29 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.312 51.8 -76.0-100.2-170.8 22.4 12.7 21.0 99 108 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.857 130.2 48.4 -55.3 -39.9 26.2 12.6 20.2 100 109 A S H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.966 114.0 43.1 -68.0 -52.8 26.6 16.2 21.4 101 110 A A H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 113.6 53.0 -60.7 -40.1 24.8 15.9 24.7 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.918 110.2 48.6 -61.4 -43.9 26.5 12.5 25.4 103 112 A R H X S+ 0 0 89 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.920 112.2 47.3 -63.0 -45.8 29.9 14.1 24.8 104 113 A K H X S+ 0 0 128 -4,-2.5 4,-1.4 2,-0.2 6,-0.2 0.915 111.8 51.2 -64.9 -40.6 29.2 17.1 27.1 105 114 A F H ><>S+ 0 0 9 -4,-2.7 5,-2.2 1,-0.2 3,-0.8 0.968 112.2 44.9 -60.7 -52.3 27.9 14.8 29.8 106 115 A V H ><5S+ 0 0 9 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.873 106.2 61.7 -61.1 -35.2 31.0 12.5 29.7 107 116 A D H 3<5S+ 0 0 112 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.851 108.3 44.0 -58.1 -34.6 33.2 15.6 29.6 108 117 A E T <<5S- 0 0 93 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.274 127.8 -93.7 -96.6 12.9 31.9 16.6 33.0 109 118 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.390 83.5 130.4 96.0 -3.5 32.0 13.2 34.6 110 119 A I < + 0 0 6 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.752 18.2 141.7 -89.3 104.8 28.4 12.0 33.9 111 120 A K + 0 0 65 -2,-0.9 2,-0.2 -3,-0.1 -1,-0.2 0.631 49.5 46.7-119.6 -18.8 28.8 8.6 32.4 112 121 A T S > S- 0 0 51 1,-0.1 4,-2.2 -22,-0.1 5,-0.1 -0.711 83.2-103.7-123.3 174.5 26.0 6.2 33.6 113 122 A L H > S+ 0 0 35 -2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.885 123.4 55.5 -63.0 -37.1 22.2 6.2 34.0 114 123 A E H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 105.8 50.3 -59.9 -47.0 22.9 6.6 37.8 115 124 A D H 4 S+ 0 0 35 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.915 111.2 48.9 -58.2 -42.9 25.0 9.8 37.0 116 125 A L H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.932 105.9 57.6 -61.7 -44.7 22.1 11.1 34.9 117 126 A R H 3< S+ 0 0 158 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.798 107.3 48.2 -56.3 -30.7 19.6 10.3 37.7 118 127 A K T 3< S+ 0 0 148 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.404 109.8 54.7 -90.4 0.5 21.6 12.5 40.1 119 128 A N X + 0 0 34 -3,-2.1 3,-1.9 -4,-0.3 -1,-0.2 -0.212 56.1 141.3-130.7 46.9 21.8 15.4 37.6 120 129 A E G > + 0 0 122 -3,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.839 68.4 67.1 -55.1 -37.5 18.2 16.2 36.7 121 130 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.654 99.5 52.0 -61.0 -14.5 18.9 19.9 36.6 122 131 A K G < S+ 0 0 96 -3,-1.9 2,-0.4 -6,-0.2 -1,-0.3 0.277 95.8 87.3-104.7 9.6 21.2 19.4 33.6 123 132 A L < - 0 0 8 -3,-2.3 2,-0.1 -4,-0.1 -7,-0.0 -0.895 69.7-136.7-111.6 138.2 18.6 17.4 31.6 124 133 A N > - 0 0 83 -2,-0.4 4,-2.3 -28,-0.1 5,-0.2 -0.285 39.0 -91.3 -81.8 176.5 16.0 19.0 29.3 125 134 A H H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.920 125.5 47.9 -54.0 -50.3 12.4 17.8 29.3 126 135 A H H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.949 111.7 50.2 -57.4 -51.3 12.9 15.2 26.5 127 136 A Q H > S+ 0 0 13 1,-0.2 4,-2.5 -31,-0.2 -1,-0.2 0.870 106.4 54.4 -57.1 -41.0 16.0 13.8 28.2 128 137 A R H X S+ 0 0 100 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.916 111.8 45.5 -60.9 -41.8 14.3 13.4 31.6 129 138 A I H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 110.7 52.7 -67.8 -42.8 11.5 11.4 29.9 130 139 A G H < S+ 0 0 0 -4,-2.8 -35,-0.3 -35,-0.4 -2,-0.2 0.900 113.1 45.2 -58.9 -39.2 14.0 9.3 27.9 131 140 A L H >< S+ 0 0 29 -4,-2.5 3,-1.6 -5,-0.2 4,-0.3 0.944 109.7 54.8 -69.0 -47.1 15.8 8.5 31.2 132 141 A K H 3< S+ 0 0 138 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.870 121.3 29.2 -54.1 -40.9 12.6 7.8 33.0 133 142 A Y T 3X S+ 0 0 12 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.050 80.2 130.4-110.9 26.6 11.5 5.2 30.5 134 143 A F H <> S+ 0 0 24 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.899 79.6 38.9 -43.3 -57.2 15.0 4.1 29.4 135 144 A G H >4 S+ 0 0 42 -4,-0.3 3,-0.6 -3,-0.2 4,-0.4 0.916 116.1 49.9 -63.4 -46.7 14.1 0.4 29.8 136 145 A D H >4 S+ 0 0 38 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.904 105.9 56.1 -60.6 -43.9 10.6 0.5 28.4 137 146 A F H 3< S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.8 54.0 -62.0 -25.0 11.6 2.4 25.3 138 147 A E T << S+ 0 0 93 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.512 92.1 91.4 -88.1 -4.4 14.1 -0.3 24.4 139 148 A K S < S- 0 0 112 -3,-1.7 2,-0.1 -4,-0.4 -3,-0.0 -0.624 77.2-122.0 -88.4 150.7 11.4 -3.1 24.6 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.442 18.9-120.5 -87.7 165.9 9.5 -4.1 21.6 141 150 A I E -A 179 0A 0 38,-3.5 38,-2.5 -2,-0.1 40,-0.1 -0.918 20.1-133.6-111.7 114.1 5.7 -4.0 21.3 142 151 A P E >> -A 178 0A 52 0, 0.0 3,-1.8 0, 0.0 4,-1.5 -0.399 23.6-119.1 -64.8 139.8 3.8 -7.3 20.5 143 152 A R H 3> S+ 0 0 75 34,-2.1 4,-2.4 1,-0.3 5,-0.2 0.799 112.5 62.8 -48.2 -35.8 1.2 -6.8 17.8 144 153 A E H 3> S+ 0 0 114 33,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.860 105.6 45.7 -60.4 -35.5 -1.6 -7.8 20.2 145 154 A E H <> S+ 0 0 27 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.816 108.9 55.9 -76.1 -31.7 -0.7 -4.8 22.3 146 155 A M H X S+ 0 0 2 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.882 106.3 51.1 -66.2 -38.2 -0.6 -2.6 19.1 147 156 A L H X S+ 0 0 55 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.948 111.1 47.1 -64.2 -46.7 -4.1 -3.8 18.3 148 157 A Q H X S+ 0 0 61 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.871 114.2 48.6 -61.0 -36.3 -5.3 -2.8 21.8 149 158 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 50.0 -69.7 -42.0 -3.5 0.5 21.3 150 159 A Q H X S+ 0 0 46 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.897 105.7 57.8 -61.9 -43.2 -5.0 1.0 17.9 151 160 A D H X S+ 0 0 103 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.925 109.7 43.8 -52.3 -50.6 -8.5 0.3 19.3 152 161 A I H X S+ 0 0 38 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.947 115.4 47.5 -62.2 -50.4 -8.1 3.2 21.9 153 162 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.920 114.4 45.5 -58.8 -47.1 -6.6 5.6 19.3 154 163 A L H X S+ 0 0 69 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.900 115.1 48.4 -65.1 -40.2 -9.3 4.9 16.7 155 164 A N H X S+ 0 0 94 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.966 114.1 43.5 -64.8 -54.4 -12.1 5.1 19.2 156 165 A E H X S+ 0 0 15 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.855 112.2 53.5 -62.2 -36.6 -11.0 8.4 20.9 157 166 A V H X S+ 0 0 5 -4,-2.1 4,-1.9 -5,-0.3 3,-0.4 0.966 111.1 45.4 -62.9 -49.9 -10.2 10.1 17.6 158 167 A K H < S+ 0 0 147 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.851 108.7 58.5 -60.8 -34.1 -13.7 9.3 16.3 159 168 A K H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.883 105.4 49.2 -63.8 -38.4 -15.2 10.4 19.6 160 169 A V H < S- 0 0 39 -4,-1.8 2,-0.2 -3,-0.4 -2,-0.2 0.920 140.5 -16.1 -66.8 -45.2 -13.6 13.9 19.1 161 170 A D >< - 0 0 51 -4,-1.9 3,-2.1 -5,-0.1 -1,-0.3 -0.785 56.7-146.0-163.9 114.2 -14.9 14.3 15.6 162 171 A S T 3 S+ 0 0 88 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.516 97.4 67.8 -63.2 -4.1 -16.2 11.4 13.5 163 172 A E T 3 S+ 0 0 117 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.587 74.2 105.1 -93.0 -10.9 -14.8 13.1 10.4 164 173 A Y < - 0 0 16 -3,-2.1 2,-0.5 -7,-0.2 24,-0.2 -0.321 60.6-149.6 -62.7 153.7 -11.2 12.6 11.4 165 174 A I E -B 187 0B 51 22,-2.5 22,-2.1 2,-0.0 2,-0.4 -0.996 18.1-177.1-127.5 121.1 -9.4 9.9 9.5 166 175 A A E -B 186 0B 23 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.972 7.7-175.2-125.3 139.5 -6.6 8.1 11.4 167 176 A T E -B 185 0B 33 18,-2.4 18,-2.8 -2,-0.4 2,-0.8 -0.975 19.2-144.9-136.4 122.1 -4.2 5.5 10.2 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.758 35.1 173.0 -84.6 114.2 -1.6 3.5 12.2 169 178 A C > + 0 0 2 14,-2.3 4,-0.6 -2,-0.8 3,-0.5 0.247 25.7 83.7 -97.7-141.6 1.3 3.0 9.8 170 179 A G H >> S- 0 0 21 93,-2.1 3,-1.3 1,-0.2 4,-0.9 -0.100 107.1 -37.9 69.9-172.8 4.8 1.6 10.2 171 180 A S H 34>S+ 0 0 35 1,-0.3 5,-2.6 2,-0.2 3,-0.4 0.781 134.3 70.3 -55.5 -26.5 5.7 -2.1 10.1 172 181 A F H >45S+ 0 0 8 -3,-0.5 3,-1.6 1,-0.2 -1,-0.3 0.911 94.8 50.9 -57.9 -44.6 2.4 -2.6 12.0 173 182 A R H <<5S+ 0 0 63 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.791 106.7 55.5 -65.4 -26.4 0.4 -1.7 8.9 174 183 A R T 3<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.421 128.5 -98.8 -84.5 0.5 2.4 -4.2 6.9 175 184 A G T < 5 + 0 0 36 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.682 57.7 177.0 92.2 19.8 1.5 -6.9 9.4 176 185 A A < - 0 0 26 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.208 33.5-134.3 -56.1 147.2 4.6 -7.0 11.5 177 186 A E S S+ 0 0 173 1,-0.1 -34,-2.1 -35,-0.1 2,-0.3 0.629 87.7 11.7 -78.7 -15.7 4.5 -9.3 14.5 178 187 A S E -A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.978 69.8-147.6-155.8 160.7 5.9 -6.6 16.7 179 188 A S E -A 141 0A 2 -38,-2.5 -38,-3.5 -2,-0.3 3,-0.1 -0.929 18.4-144.2-134.4 158.5 6.6 -2.9 16.6 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.713 85.2 -27.2 -90.3 -24.0 9.2 -0.5 18.0 181 190 A D S S- 0 0 69 -40,-0.1 2,-0.5 63,-0.1 -1,-0.2 -0.914 72.3 -87.3-167.9-172.5 6.6 2.3 18.5 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.7 -2,-0.3 2,-0.6 -0.977 29.0-167.1-122.0 126.3 3.2 3.5 17.2 183 192 A D E - c 0 247B 15 -2,-0.5 -14,-2.3 -14,-0.3 2,-0.5 -0.954 8.5-171.4-114.6 116.7 3.0 6.0 14.2 184 193 A V E -Bc 168 248B 1 63,-2.3 65,-2.8 -2,-0.6 2,-0.5 -0.942 9.3-159.3-115.2 122.8 -0.4 7.5 13.7 185 194 A L E -Bc 167 249B 0 -18,-2.8 -18,-2.4 -2,-0.5 2,-0.4 -0.878 16.8-170.3-100.4 127.4 -1.3 9.7 10.6 186 195 A L E +Bc 166 250B 0 63,-3.8 65,-2.8 -2,-0.5 2,-0.3 -0.901 11.8 163.1-121.7 143.1 -4.2 12.0 11.1 187 196 A T E -B 165 0B 0 -22,-2.1 -22,-2.5 -2,-0.4 5,-0.1 -0.955 16.1-160.7-149.8 168.8 -6.3 14.1 8.7 188 197 A H > - 0 0 8 63,-0.4 3,-2.8 3,-0.4 65,-0.4 -0.969 31.5-119.9-154.1 136.4 -9.6 15.9 8.5 189 198 A P T 3 S+ 0 0 65 0, 0.0 -25,-0.1 0, 0.0 -1,-0.0 0.744 111.6 63.2 -50.5 -26.2 -11.6 17.2 5.5 190 199 A S T 3 S+ 0 0 40 1,-0.1 2,-0.6 63,-0.0 8,-0.1 0.601 93.5 73.4 -76.7 -10.4 -11.4 20.7 6.9 191 200 A F < + 0 0 12 -3,-2.8 62,-3.6 60,-0.1 -3,-0.4 -0.900 57.4 153.3-115.0 111.8 -7.6 20.7 6.5 192 201 A T > - 0 0 46 -2,-0.6 3,-1.4 4,-0.4 -2,-0.0 -0.875 57.9 -95.3-129.5 162.9 -5.9 21.0 3.1 193 202 A S T 3 S+ 0 0 51 -2,-0.3 4,-0.0 1,-0.3 -1,-0.0 0.780 123.3 32.9 -46.5 -36.3 -2.6 22.3 1.8 194 203 A E T 3 S+ 0 0 184 2,-0.1 -1,-0.3 3,-0.0 2,-0.3 -0.357 108.2 73.5-123.9 55.1 -4.1 25.7 1.0 195 204 A S S < S- 0 0 53 -3,-1.4 -4,-0.1 1,-0.0 -5,-0.0 -0.849 94.4 -56.6-147.6 179.2 -6.7 26.2 3.6 196 205 A T - 0 0 103 -2,-0.3 -4,-0.4 1,-0.1 -2,-0.1 -0.361 37.7-156.3 -64.5 145.7 -6.9 27.1 7.3 197 206 A K - 0 0 40 -6,-0.1 4,-0.3 -4,-0.0 -1,-0.1 0.034 21.2-143.3-112.3 24.7 -4.9 24.6 9.5 198 207 A Q > - 0 0 77 1,-0.2 3,-2.2 -8,-0.1 2,-0.5 0.600 13.1-127.6 5.5 104.7 -6.9 25.3 12.7 199 208 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.258 101.5 53.2 -52.4 9.4 -4.2 25.1 15.5 200 209 A K T 3> S+ 0 0 99 -2,-0.5 4,-3.2 2,-0.1 5,-0.3 0.441 71.5 94.7-129.7 -2.6 -6.3 22.6 17.5 201 210 A L H <> S+ 0 0 5 -3,-2.2 4,-0.6 -4,-0.3 -3,-0.1 0.940 103.6 32.2 -56.1 -45.0 -7.2 19.8 15.1 202 211 A L H >> S+ 0 0 1 21,-0.4 4,-2.3 -4,-0.3 3,-0.8 0.914 117.1 57.3 -75.9 -44.1 -4.1 17.9 16.5 203 212 A H H 3> S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.879 101.8 54.9 -53.5 -44.8 -4.5 19.4 19.9 204 213 A Q H 3X S+ 0 0 71 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.810 110.0 47.0 -61.9 -31.0 -8.0 18.1 20.4 205 214 A V H S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 6,-1.4 0.832 111.7 46.4 -64.9 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