==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 19-APR-96 1ZQW . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.PELLETIER,M.R.SAWAYA . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 12.0 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 . 3 1.2 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 . 13 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 2 1 2 0 0 0 2 0 0 0 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 91 A D >> 0 0 106 0, 0.0 4,-2.6 0, 0.0 3,-1.9 0.000 360.0 360.0 360.0-172.2 24.3 47.8 11.0 2 92 A D T 34 + 0 0 90 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.566 360.0 51.7 -52.4 -10.3 23.4 48.1 14.8 3 93 A T T >> S+ 0 0 71 2,-0.2 4,-0.9 3,-0.1 3,-0.7 0.679 102.5 52.3 -97.4 -32.0 19.9 47.1 13.4 4 94 A S H <> S+ 0 0 63 -3,-1.9 4,-2.7 1,-0.3 -2,-0.2 0.802 99.3 67.4 -70.0 -28.4 21.0 44.1 11.4 5 95 A S H 3X S+ 0 0 71 -4,-2.6 4,-1.4 1,-0.3 -1,-0.3 0.842 95.9 54.9 -54.2 -36.2 22.3 43.5 14.8 6 96 A S H <> S+ 0 0 19 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.781 103.1 51.1 -72.7 -32.8 18.5 43.3 15.5 7 97 A I H X S+ 0 0 35 -4,-0.9 4,-1.6 -3,-0.2 -2,-0.2 0.911 107.5 56.4 -73.5 -30.5 17.9 40.6 13.0 8 98 A N H < S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 107.9 47.7 -61.0 -41.1 20.7 38.8 14.6 9 99 A F H >< S+ 0 0 48 -4,-1.4 3,-3.3 2,-0.2 4,-0.3 0.971 108.2 49.4 -61.7 -63.1 19.0 38.9 18.0 10 100 A L H >< S+ 0 0 1 -4,-1.6 3,-3.8 1,-0.3 6,-0.2 0.873 100.6 65.0 -43.7 -50.4 15.5 37.8 17.2 11 101 A T T 3< S+ 0 0 58 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.632 85.6 73.0 -54.2 -14.3 16.7 34.8 15.3 12 102 A R T < S+ 0 0 125 -3,-3.3 2,-0.7 -4,-0.1 -1,-0.3 0.708 80.2 98.2 -74.3 -14.4 18.1 33.6 18.7 13 103 A V S X S- 0 0 2 -3,-3.8 3,-3.6 -4,-0.3 37,-0.1 -0.637 85.3-122.4 -79.1 117.0 14.5 33.0 19.3 14 104 A T T 3 S+ 0 0 45 -2,-0.7 35,-0.3 1,-0.3 36,-0.2 -0.287 105.8 25.8 -57.3 129.2 13.5 29.4 18.8 15 105 A G T 3 S+ 0 0 30 -4,-0.1 2,-1.4 1,-0.1 -1,-0.3 -0.082 96.6 113.7 101.7 -30.0 10.8 29.5 16.3 16 106 A I < + 0 0 5 -3,-3.6 -3,-0.1 -6,-0.2 -1,-0.1 -0.552 44.2 179.6 -84.1 95.1 12.2 32.8 14.9 17 107 A G > - 0 0 29 -2,-1.4 4,-5.3 -3,-0.1 5,-0.2 -0.360 41.1-101.7 -80.8 162.7 13.5 32.2 11.4 18 108 A P H > S+ 0 0 79 0, 0.0 4,-4.5 0, 0.0 5,-0.2 0.958 121.8 42.5 -49.8 -67.0 15.1 35.0 9.3 19 109 A S H > S+ 0 0 77 1,-0.3 4,-2.1 2,-0.3 5,-0.2 0.846 119.0 48.1 -44.0 -43.5 12.1 35.7 7.0 20 110 A A H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.960 114.2 45.9 -65.2 -51.3 10.1 35.5 10.1 21 111 A A H X S+ 0 0 0 -4,-5.3 4,-0.9 1,-0.2 -2,-0.3 0.934 107.5 58.1 -59.0 -47.4 12.7 37.8 11.8 22 112 A R H >X S+ 0 0 165 -4,-4.5 3,-2.0 1,-0.2 4,-1.1 0.928 103.9 49.9 -48.6 -56.8 12.8 40.2 9.0 23 113 A K H >X S+ 0 0 93 -4,-2.1 3,-1.4 1,-0.3 4,-0.7 0.909 105.6 55.7 -52.8 -46.1 9.1 41.0 9.1 24 114 A L H 3<>S+ 0 0 14 -4,-1.6 5,-2.3 1,-0.3 -1,-0.3 0.736 103.9 56.7 -60.9 -15.9 9.1 41.6 12.7 25 115 A V H <<5S+ 0 0 29 -3,-2.0 3,-0.5 -4,-0.9 -1,-0.3 0.784 102.7 54.6 -82.6 -24.5 11.8 44.1 12.0 26 116 A D H <<5S+ 0 0 146 -3,-1.4 -2,-0.2 -4,-1.1 -1,-0.2 0.502 103.5 55.5 -81.5 -7.5 9.4 45.8 9.6 27 117 A E T <5S- 0 0 150 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.403 124.7-100.9-101.0 -7.7 6.9 46.2 12.4 28 118 A G T 5S+ 0 0 48 -3,-0.5 2,-0.6 1,-0.3 -3,-0.2 0.593 78.1 139.5 96.4 9.3 9.3 48.0 14.6 29 119 A I < + 0 0 11 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.794 9.9 129.4 -90.1 119.6 10.1 44.9 16.7 30 120 A K + 0 0 91 -2,-0.6 -20,-0.2 -3,-0.1 -1,-0.2 0.590 54.3 53.4-136.3 -47.7 13.8 44.6 17.6 31 121 A T S > S- 0 0 66 1,-0.1 4,-1.3 -22,-0.1 -1,-0.1 -0.254 83.2-112.7 -85.7-176.9 14.5 44.0 21.2 32 122 A L H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.855 117.1 58.2 -84.3 -37.3 13.1 41.3 23.3 33 123 A E H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.823 105.2 56.9 -59.3 -25.4 11.0 43.6 25.5 34 124 A D H > S+ 0 0 46 2,-0.2 4,-0.5 1,-0.2 3,-0.2 0.973 105.9 48.9 -63.4 -56.7 9.6 44.5 22.1 35 125 A L H >< S+ 0 0 4 -4,-1.3 3,-2.1 1,-0.3 -2,-0.2 0.910 108.6 50.4 -48.3 -54.6 8.7 40.9 21.6 36 126 A R H >< S+ 0 0 92 -4,-3.0 3,-1.0 1,-0.3 -1,-0.3 0.881 108.5 53.9 -58.1 -34.4 7.1 40.5 25.0 37 127 A K H 3< S+ 0 0 153 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.633 114.0 45.6 -77.1 -3.5 5.0 43.6 24.3 38 128 A N T X< + 0 0 77 -3,-2.1 3,-2.5 -4,-0.5 4,-0.4 0.007 59.6 139.0-130.2 37.7 4.0 41.9 21.1 39 129 A E G X + 0 0 93 -3,-1.0 3,-1.4 1,-0.3 -1,-0.1 0.793 65.3 75.6 -48.0 -32.7 3.1 38.4 21.8 40 130 A D G 3 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.547 93.0 48.6 -62.2 -6.8 0.2 38.7 19.4 41 131 A K G < S+ 0 0 67 -3,-2.5 -1,-0.2 -6,-0.2 2,-0.2 0.553 95.2 83.0-110.6 -1.5 2.2 38.5 16.3 42 132 A L S < S- 0 0 20 -3,-1.4 2,-0.1 -4,-0.4 -27,-0.0 -0.585 77.4-121.4 -90.9 151.1 4.3 35.5 17.1 43 133 A N > - 0 0 86 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.293 36.5 -92.0 -88.3 179.8 3.0 32.0 16.6 44 134 A H H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.941 126.4 51.9 -60.3 -43.8 2.7 29.3 19.3 45 135 A H H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.951 112.2 45.0 -57.5 -47.7 6.1 28.0 18.7 46 136 A Q H > S+ 0 0 12 -31,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 107.2 58.8 -66.4 -33.5 7.8 31.5 18.9 47 137 A R H X S+ 0 0 87 -4,-2.3 4,-3.6 2,-0.2 -1,-0.2 0.977 108.6 44.4 -60.3 -51.0 5.9 32.5 22.0 48 138 A I H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.937 111.8 51.4 -60.1 -46.9 7.2 29.6 24.0 49 139 A G H < S+ 0 0 1 -4,-2.2 -1,-0.3 -35,-0.3 -35,-0.2 0.883 111.5 49.4 -61.4 -32.1 10.7 30.1 22.7 50 140 A L H >< S+ 0 0 6 -4,-2.5 3,-1.7 -5,-0.2 4,-0.3 0.971 107.4 54.9 -67.2 -44.3 10.3 33.6 23.8 51 141 A K H 3< S+ 0 0 107 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.784 118.4 32.6 -56.8 -33.6 9.1 32.6 27.2 52 142 A Y T 3X S+ 0 0 17 -4,-1.9 4,-2.5 -5,-0.1 -1,-0.3 0.007 79.1 131.1-114.5 26.7 12.1 30.4 27.8 53 143 A F T <4 S+ 0 0 16 -3,-1.7 3,-0.2 2,-0.2 -1,-0.1 0.913 77.4 38.6 -41.1 -61.6 14.6 32.5 26.0 54 144 A E T >4 S+ 0 0 94 -4,-0.3 3,-5.0 1,-0.2 4,-0.4 0.973 113.0 53.7 -56.8 -63.2 17.1 32.6 28.7 55 145 A D G >4 S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.790 104.7 59.6 -42.1 -33.9 16.7 28.9 30.0 56 146 A F G 3< S+ 0 0 45 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.520 93.8 62.8 -78.5 -3.3 17.3 27.9 26.5 57 147 A E G < S+ 0 0 106 -3,-5.0 2,-0.3 -5,-0.2 -1,-0.2 0.535 88.3 93.0 -95.1 -5.6 20.7 29.5 26.5 58 148 A K S < S- 0 0 105 -3,-1.2 2,-0.1 -4,-0.4 0, 0.0 -0.660 72.3-130.4 -90.5 137.5 21.8 27.2 29.2 59 149 A R - 0 0 145 -2,-0.3 40,-0.2 102,-0.1 -2,-0.1 -0.446 19.7-122.2 -80.9 160.8 23.6 24.0 28.6 60 150 A I E -A 98 0A 0 38,-3.2 38,-3.4 -2,-0.1 2,-0.2 -0.924 21.9-140.6-109.3 130.5 22.5 20.8 30.3 61 151 A P E >> -A 97 0A 56 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.593 26.5-107.7 -84.0 150.5 25.1 19.0 32.4 62 152 A R H 3> S+ 0 0 59 34,-2.4 4,-3.2 1,-0.3 5,-0.2 0.793 114.2 63.6 -45.9 -39.8 25.3 15.3 32.3 63 153 A E H 3> S+ 0 0 142 1,-0.2 4,-1.7 33,-0.2 -1,-0.3 0.882 106.3 45.1 -54.5 -42.4 23.9 14.7 35.6 64 154 A E H <> S+ 0 0 33 -3,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.910 109.7 54.0 -71.4 -38.3 20.7 16.3 34.5 65 155 A M H X S+ 0 0 2 -4,-1.6 4,-3.9 1,-0.2 5,-0.3 0.964 105.6 55.6 -56.0 -49.8 20.6 14.3 31.3 66 156 A L H X S+ 0 0 59 -4,-3.2 4,-1.9 1,-0.3 -1,-0.2 0.906 111.5 42.0 -47.3 -52.6 21.0 11.2 33.3 67 157 A Q H X S+ 0 0 84 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.874 114.5 51.5 -66.1 -38.1 17.9 12.0 35.4 68 158 A M H >X S+ 0 0 4 -4,-3.2 4,-1.9 1,-0.2 3,-0.6 0.974 107.9 51.9 -62.3 -51.8 16.0 13.1 32.4 69 159 A Q H 3X S+ 0 0 44 -4,-3.9 4,-2.4 1,-0.3 5,-0.3 0.844 108.7 52.9 -52.0 -34.7 16.8 10.0 30.6 70 160 A D H 3X S+ 0 0 106 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.876 105.5 51.7 -73.6 -34.9 15.5 8.0 33.5 71 161 A I H X S+ 0 0 8 -4,-2.0 4,-1.6 -5,-0.2 3,-1.3 0.980 104.5 55.4 -62.4 -53.5 7.7 4.6 28.4 77 167 A K H 3< S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.6 53.8 -53.5 -32.1 8.3 1.2 29.9 78 168 A K H 3< S+ 0 0 127 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.824 105.1 52.6 -76.3 -24.9 5.2 1.4 31.9 79 169 A L H << S- 0 0 29 -3,-1.3 -2,-0.2 -4,-1.3 -1,-0.2 0.873 138.3 -24.1 -73.8 -38.2 3.1 2.2 28.9 80 170 A D >< - 0 0 44 -4,-1.6 3,-2.7 3,-0.1 -1,-0.3 -0.587 51.0-148.5-179.2 107.3 4.3 -0.8 26.9 81 171 A P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.523 94.9 74.1 -61.7 -5.0 7.6 -2.5 27.5 82 172 A E T 3 S+ 0 0 116 -5,-0.1 -5,-0.1 2,-0.1 24,-0.0 0.692 74.7 96.4 -84.3 -18.9 7.6 -3.3 23.9 83 173 A Y < - 0 0 15 -3,-2.7 2,-0.4 -7,-0.2 24,-0.2 -0.371 65.6-147.7 -64.1 151.2 8.4 0.3 23.0 84 174 A I E +B 106 0B 44 22,-2.0 22,-2.5 2,-0.0 2,-0.4 -0.983 18.6 178.4-121.5 133.8 12.1 1.1 22.4 85 175 A A E +B 105 0B 21 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.998 3.5 178.7-136.7 137.2 13.5 4.5 23.3 86 176 A T E -B 104 0B 30 18,-1.5 18,-2.2 -2,-0.4 2,-0.6 -1.000 23.7-137.0-138.9 139.5 17.1 5.8 23.1 87 177 A V E +B 103 0B 3 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.895 30.6 177.4-100.1 122.0 18.6 9.2 23.8 88 178 A C > + 0 0 2 14,-2.0 4,-0.6 -2,-0.6 14,-0.3 0.079 30.1 94.1 -98.9-150.3 21.1 10.2 21.1 89 179 A G H >> S- 0 0 23 91,-1.2 4,-1.2 1,-0.2 3,-0.9 -0.153 103.4 -55.9 85.7 168.9 23.1 13.4 20.8 90 180 A S H 34>S+ 0 0 35 1,-0.3 5,-2.6 2,-0.2 -1,-0.2 0.786 131.9 77.1 -56.1 -24.3 26.6 13.8 22.0 91 181 A F H >45S+ 0 0 10 -3,-0.3 3,-3.7 1,-0.2 -1,-0.3 0.962 92.6 46.9 -50.3 -57.1 25.1 12.7 25.3 92 182 A R H <<5S+ 0 0 64 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.873 107.8 60.7 -55.1 -33.4 24.9 9.0 24.1 93 183 A R T 3<5S- 0 0 60 -4,-1.2 -1,-0.3 88,-0.2 -2,-0.2 0.557 129.7 -96.9 -75.2 0.2 28.4 9.6 23.0 94 184 A G T < 5 + 0 0 38 -3,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.438 61.2 174.4 103.6 -1.9 29.5 10.3 26.5 95 185 A A < - 0 0 24 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.031 34.1-138.1 -47.4 139.4 29.3 14.1 26.3 96 186 A E S S+ 0 0 144 1,-0.1 -34,-2.4 -35,-0.1 2,-0.3 0.748 85.4 7.8 -71.9 -27.9 29.9 16.1 29.5 97 187 A S E -A 61 0A 42 -36,-0.3 2,-0.2 -35,-0.1 -1,-0.1 -0.943 68.9-157.2-150.5 163.8 27.1 18.6 28.7 98 188 A S E -A 60 0A 4 -38,-3.4 -38,-3.2 -2,-0.3 3,-0.1 -0.817 20.4-139.3-138.5 173.8 24.3 18.8 26.2 99 189 A G S S- 0 0 40 1,-0.3 63,-0.4 -2,-0.2 2,-0.3 0.661 79.3 -23.0-110.2 -22.2 22.1 21.4 24.6 100 190 A D S S- 0 0 72 61,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.950 72.0 -84.5-169.1-173.6 18.8 19.5 24.5 101 191 A M E - c 0 163B 0 61,-2.8 63,-3.7 -2,-0.3 2,-0.7 -0.917 26.0-169.9-131.3 129.1 17.3 16.2 24.4 102 192 A D E + c 0 164B 22 -2,-0.6 -14,-2.0 -14,-0.3 2,-0.5 -0.858 5.6 179.1-111.1 105.3 16.8 13.9 21.7 103 193 A V E -Bc 87 165B 3 61,-3.7 63,-2.6 -2,-0.7 2,-0.5 -0.921 10.2-162.1-112.5 130.6 14.7 10.7 22.1 104 194 A L E -Bc 86 166B 0 -18,-2.2 -18,-1.5 -2,-0.5 2,-0.3 -0.888 18.2-167.1-102.3 127.3 14.1 8.4 19.1 105 195 A L E +Bc 85 167B 2 61,-4.3 63,-2.1 -2,-0.5 2,-0.3 -0.836 12.3 165.2-121.1 158.0 11.3 6.1 19.7 106 196 A T E -B 84 0B 0 -22,-2.5 -22,-2.0 -2,-0.3 5,-0.1 -0.944 15.5-164.4-155.9 177.4 10.0 3.0 18.1 107 197 A H B > -F 110 0C 4 3,-0.5 3,-2.7 61,-0.4 63,-0.5 -0.902 31.5-122.9-167.6 134.9 7.8 0.0 18.3 108 198 A P T 3 S+ 0 0 43 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.751 109.5 65.2 -54.0 -25.7 7.4 -3.2 16.5 109 199 A N T 3 S+ 0 0 107 1,-0.2 2,-0.6 -3,-0.0 5,-0.0 0.640 96.1 67.8 -76.3 -5.9 3.9 -2.4 15.6 110 200 A F B < +F 107 0C 7 -3,-2.7 60,-3.8 58,-0.1 -3,-0.5 -0.887 62.9 160.4-125.9 106.2 5.1 0.4 13.5 111 201 A T >> - 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0 0 9 -4,-1.2 2,-0.2 -3,-0.8 -1,-0.1 -0.271 62.4-155.0 71.8-168.1 26.9 11.3 15.4 183 275 A S > - 0 0 12 59,-0.3 4,-2.8 -3,-0.1 -1,-0.2 0.565 35.5-132.2 -75.9-178.9 29.3 12.7 15.3 184 276 A D H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 107.2 45.0 -58.3 -48.7 29.0 14.4 12.0 185 277 A I H > S+ 0 0 84 57,-0.3 4,-4.1 1,-0.2 5,-0.3 0.899 109.9 56.6 -59.1 -45.3 32.5 13.4 10.9 186 278 A F H > S+ 0 0 0 55,-0.4 4,-2.5 56,-0.3 5,-0.2 0.943 106.3 47.5 -52.5 -58.5 31.9 10.0 12.0 187 279 A N H X S+ 0 0 9 -4,-2.8 4,-3.9 1,-0.2 5,-0.3 0.904 113.3 50.9 -50.2 -46.9 28.8 9.7 9.9 188 280 A K H X S+ 0 0 56 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.956 111.6 44.5 -54.4 -61.6 30.8 11.0 7.0 189 281 A N H X S+ 0 0 75 -4,-4.1 4,-2.1 1,-0.2 -1,-0.2 0.817 116.5 48.9 -57.5 -28.8 33.8 8.7 7.4 190 282 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.940 110.5 47.2 -78.0 -46.0 31.4 5.8 7.9 191 283 A R H X S+ 0 0 79 -4,-3.9 4,-1.5 -5,-0.2 -2,-0.2 0.922 112.5 54.0 -60.7 -37.9 29.3 6.6 4.9 192 284 A A H X S+ 0 0 44 -4,-3.2 4,-1.5 -5,-0.3 3,-0.5 0.968 109.2 45.7 -58.2 -53.7 32.5 7.0 2.9 193 285 A H H X S+ 0 0 37 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.920 107.8 57.6 -55.5 -47.6 33.8 3.6 3.9 194 286 A A H <>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.3 4,-0.3 0.776 102.8 55.8 -52.9 -33.6 30.4 1.9 3.1 195 287 A L H ><5S+ 0 0 92 -4,-1.5 3,-2.7 -3,-0.5 -1,-0.3 0.975 102.4 53.3 -66.6 -50.1 30.7 3.2 -0.2 196 288 A E H 3<5S+ 0 0 134 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.678 111.5 50.3 -57.7 -18.2 34.1 1.5 -0.7 197 289 A K T 3<5S- 0 0 82 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.446 127.7-100.1-100.9 -0.1 32.4 -1.6 0.4 198 290 A G T < 5S+ 0 0 31 -3,-2.7 11,-2.3 1,-0.3 2,-0.4 0.860 82.6 110.8 88.5 39.5 29.6 -1.2 -2.0 199 291 A F E < -G 208 0D 39 -5,-3.2 2,-0.5 9,-0.3 -1,-0.3 -0.994 51.2-147.2-146.9 153.8 26.9 0.2 0.1 200 292 A T E -G 207 0D 43 7,-3.5 7,-2.6 -2,-0.4 2,-0.3 -0.992 17.7-171.9-125.8 123.8 25.1 3.3 0.6 201 293 A I E +G 206 0D 11 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.877 10.9 162.5-112.9 142.6 23.8 4.4 4.0 202 294 A N - 0 0 38 3,-2.1 -23,-0.2 -2,-0.3 -2,-0.0 -0.768 60.6 -74.3-142.8-175.9 21.5 7.3 5.0 203 295 A E S S+ 0 0 43 -2,-0.2 -23,-0.1 1,-0.2 -24,-0.1 0.421 129.6 32.8 -70.2 7.6 19.5 8.0 8.2 204 296 A Y S S+ 0 0 123 1,-0.3 2,-0.3 -29,-0.2 -29,-0.3 0.603 117.8 14.2-130.6 -32.9 17.0 5.4 7.3 205 297 A T - 0 0 21 -30,-0.1 -3,-2.1 -31,-0.1 2,-0.5 -0.957 45.1-137.4-150.3 170.4 18.7 2.5 5.5 206 298 A I E +G 201 0D 0 13,-0.4 13,-3.0 -2,-0.3 -5,-0.2 -0.993 32.9 177.2-124.7 127.4 21.6 0.6 4.3 207 299 A R E -G 200 0D 39 -7,-2.6 -7,-3.5 -2,-0.5 2,-0.2 -0.991 29.4-117.2-137.3 143.0 21.4 -0.5 0.7 208 300 A P E -G 199 0D 42 0, 0.0 -9,-0.3 0, 0.0 -10,-0.1 -0.473 31.6-136.5 -75.4 144.9 23.8 -2.4 -1.5 209 301 A L + 0 0 49 -11,-2.3 2,-0.3 -2,-0.2 7,-0.3 0.478 24.0 178.3 -76.2-139.4 25.1 -0.5 -4.6 210 302 A G - 0 0 51 5,-0.2 3,-0.3 -11,-0.0 2,-0.2 -0.990 39.2 -20.6 164.7-167.8 25.4 -1.8 -8.1 211 303 A V S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.469 127.8 8.0 -71.0 135.3 26.4 -1.0 -11.7 212 304 A T S S- 0 0 121 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.082 112.4-107.8 79.1 -22.2 26.3 2.7 -12.7 213 305 A G S S+ 0 0 28 -3,-0.3 2,-2.2 1,-0.1 -1,-0.2 -0.526 91.1 113.6 99.5 -56.5 25.8 3.2 -8.9 214 306 A V + 0 0 111 -2,-0.5 2,-0.2 -5,-0.1 -1,-0.1 -0.237 54.6 134.7 -54.1 82.3 22.1 4.3 -8.7 215 307 A A + 0 0 42 -2,-2.2 2,-0.3 -5,-0.1 -5,-0.2 -0.824 24.5 150.4-130.1 163.8 21.2 1.0 -6.9 216 308 A G + 0 0 41 -7,-0.3 -9,-0.1 -2,-0.2 -3,-0.0 -0.975 24.1 151.1-173.1-175.0 19.2 -0.0 -3.9 217 309 A E - 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