==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 19-APR-96 1ZQU . 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) . 12972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 70.7 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 . 1 0.4 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 . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 31.8 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 1 0 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 0 110 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-160.9 24.3 47.7 10.6 2 92 A D T 34 + 0 0 91 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.492 360.0 52.3 -60.2 -2.8 23.4 48.1 14.3 3 93 A T T >> S+ 0 0 73 2,-0.2 4,-1.1 3,-0.1 3,-1.0 0.691 102.2 51.7-100.4 -37.1 20.0 47.1 12.9 4 94 A S H <> S+ 0 0 61 -3,-0.9 4,-2.0 1,-0.3 -2,-0.2 0.773 100.0 67.5 -68.7 -26.3 21.1 43.9 11.0 5 95 A S H 3X S+ 0 0 67 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.833 96.6 54.6 -57.4 -33.9 22.4 43.5 14.4 6 96 A S H <> S+ 0 0 19 -3,-1.0 4,-2.0 2,-0.2 -2,-0.3 0.912 102.4 49.5 -72.0 -47.1 18.6 43.3 15.0 7 97 A I H X S+ 0 0 37 -4,-1.1 4,-1.5 1,-0.3 -1,-0.2 0.815 108.5 60.6 -63.8 -23.9 17.8 40.5 12.6 8 98 A N H < S+ 0 0 106 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.3 0.935 104.6 45.2 -68.6 -38.0 20.6 38.8 14.2 9 99 A F H >< S+ 0 0 51 -4,-1.2 3,-1.7 -3,-0.3 -2,-0.2 0.941 109.3 53.5 -66.4 -49.1 19.0 38.9 17.6 10 100 A L H >< S+ 0 0 0 -4,-2.0 3,-4.2 1,-0.3 6,-0.3 0.943 99.5 60.3 -49.0 -58.4 15.6 37.8 16.6 11 101 A T T 3< S+ 0 0 59 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.668 87.5 75.1 -50.5 -16.0 16.8 34.7 14.8 12 102 A R T < S+ 0 0 125 -3,-1.7 2,-0.6 -4,-0.3 -1,-0.3 0.620 80.6 94.7 -74.3 -6.3 18.2 33.6 18.1 13 103 A V S X S- 0 0 2 -3,-4.2 3,-2.4 3,-0.2 37,-0.1 -0.801 88.6-116.9 -89.8 120.0 14.5 32.9 18.9 14 104 A T T 3 S+ 0 0 44 -2,-0.6 35,-0.4 1,-0.3 36,-0.2 -0.267 107.4 23.4 -56.0 124.2 13.4 29.4 18.4 15 105 A G T 3 S+ 0 0 30 1,-0.2 2,-1.1 -4,-0.2 -1,-0.3 -0.292 95.1 113.0 110.4 -44.9 10.9 29.7 15.8 16 106 A I < + 0 0 7 -3,-2.4 -3,-0.2 -6,-0.3 -1,-0.2 -0.477 44.6 178.5 -73.4 102.2 12.2 33.0 14.5 17 107 A G > - 0 0 25 -2,-1.1 4,-2.6 -3,-0.1 5,-0.1 -0.291 41.9 -99.1 -86.8 171.4 13.6 32.3 11.0 18 108 A P H > S+ 0 0 83 0, 0.0 4,-4.9 0, 0.0 5,-0.2 0.989 123.3 40.3 -58.9 -67.4 15.1 34.9 8.8 19 109 A S H > S+ 0 0 79 1,-0.3 4,-2.0 2,-0.3 5,-0.2 0.890 122.1 46.8 -45.4 -44.6 12.1 35.7 6.5 20 110 A A H > S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.872 114.7 45.9 -68.6 -36.4 10.2 35.4 9.7 21 111 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -2,-0.3 0.929 107.4 58.9 -75.6 -35.8 12.7 37.6 11.4 22 112 A R H >X S+ 0 0 170 -4,-4.9 3,-2.5 1,-0.2 4,-1.1 0.951 102.7 49.6 -53.3 -60.0 12.8 40.0 8.6 23 113 A K H >X S+ 0 0 94 -4,-2.0 3,-1.0 1,-0.3 4,-0.8 0.873 103.0 60.5 -48.8 -45.0 9.1 41.0 8.6 24 114 A L H 3<>S+ 0 0 15 -4,-1.1 5,-2.8 1,-0.3 -1,-0.3 0.717 103.3 53.9 -58.2 -17.8 9.2 41.6 12.3 25 115 A V H X<5S+ 0 0 29 -3,-2.5 3,-1.2 -4,-0.6 -1,-0.3 0.800 101.6 56.5 -85.6 -28.3 11.7 44.2 11.6 26 116 A D H <<5S+ 0 0 147 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.575 104.5 54.5 -76.2 -7.9 9.5 45.8 9.1 27 117 A E T 3<5S- 0 0 150 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.326 125.1-103.2-103.2 1.5 7.0 46.1 11.8 28 118 A G T < 5S+ 0 0 47 -3,-1.2 2,-0.6 1,-0.3 -3,-0.2 0.762 74.9 144.2 82.6 19.5 9.4 47.9 14.0 29 119 A I < + 0 0 12 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.876 12.7 131.2 -95.0 116.5 10.0 44.7 16.1 30 120 A K + 0 0 87 -2,-0.6 -1,-0.2 -3,-0.1 -20,-0.1 0.601 51.1 45.5-131.1 -63.5 13.7 44.6 17.2 31 121 A T S > S- 0 0 69 1,-0.1 4,-1.2 -22,-0.1 -1,-0.0 -0.037 84.6-107.0 -76.3-169.4 14.6 44.0 20.7 32 122 A L H > S+ 0 0 36 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.832 119.5 57.5 -88.5 -35.8 13.1 41.4 22.9 33 123 A E H > S+ 0 0 48 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.790 104.4 59.5 -63.5 -20.3 11.0 43.6 25.0 34 124 A D H >4 S+ 0 0 46 2,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.993 107.1 43.9 -64.4 -61.1 9.6 44.5 21.5 35 125 A L H >< S+ 0 0 5 -4,-1.2 3,-3.3 1,-0.3 -2,-0.2 0.906 108.9 56.1 -48.3 -53.2 8.6 41.0 21.1 36 126 A R H >< S+ 0 0 92 -4,-3.3 3,-0.6 1,-0.3 -1,-0.3 0.804 108.0 49.6 -54.1 -29.6 7.1 40.6 24.6 37 127 A K T << S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.342 113.8 51.2 -88.8 6.4 4.9 43.5 23.8 38 128 A N T X + 0 0 79 -3,-3.3 3,-2.7 1,-0.1 4,-0.3 0.141 57.2 136.2-136.7 35.4 4.1 41.9 20.7 39 129 A E G X + 0 0 90 -3,-0.6 3,-2.2 1,-0.3 -1,-0.1 0.837 66.7 72.2 -45.8 -45.5 3.0 38.3 21.3 40 130 A D G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.627 92.7 53.9 -50.3 -18.4 0.1 38.6 19.0 41 131 A K G < S+ 0 0 66 -3,-2.7 2,-0.3 -6,-0.2 -1,-0.3 0.657 95.5 82.6 -96.7 -2.5 2.3 38.6 15.9 42 132 A L S < S- 0 0 19 -3,-2.2 -27,-0.0 -4,-0.3 -26,-0.0 -0.657 76.4-122.1 -92.6 143.7 4.1 35.4 16.7 43 133 A N > - 0 0 87 -2,-0.3 4,-1.2 1,-0.1 -1,-0.1 -0.010 39.6 -95.1 -75.1-172.2 3.0 31.9 16.1 44 134 A H H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.888 124.3 53.9 -72.9 -34.0 2.8 29.5 18.9 45 135 A H H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.976 110.7 43.1 -59.6 -58.7 6.2 28.2 18.2 46 136 A Q H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.798 110.1 60.0 -60.0 -28.3 7.9 31.5 18.4 47 137 A R H X S+ 0 0 86 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.992 106.7 43.3 -64.7 -55.8 5.9 32.4 21.4 48 138 A I H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.884 111.9 54.3 -53.6 -45.1 7.2 29.5 23.4 49 139 A G H < S+ 0 0 1 -4,-2.5 4,-0.3 -35,-0.4 -1,-0.3 0.900 109.2 48.0 -58.7 -40.7 10.7 30.1 22.3 50 140 A L H >< S+ 0 0 8 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.850 107.2 58.2 -68.4 -30.4 10.4 33.7 23.4 51 141 A K H 3< S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 118.9 28.1 -66.9 -33.0 9.0 32.5 26.6 52 142 A Y T 3X S+ 0 0 20 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.134 78.5 130.3-117.2 22.6 12.0 30.5 27.3 53 143 A F T <4 S+ 0 0 17 -3,-0.7 4,-0.4 -4,-0.3 -1,-0.1 0.859 77.2 43.9 -38.8 -56.4 14.7 32.4 25.5 54 144 A E T >4 S+ 0 0 96 -4,-0.3 3,-5.4 1,-0.2 4,-0.4 0.976 111.4 50.5 -56.4 -70.6 17.1 32.5 28.3 55 145 A D G >4 S+ 0 0 38 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.754 105.6 60.6 -36.6 -38.8 16.7 28.9 29.5 56 146 A F G 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.695 94.4 62.4 -69.7 -14.5 17.3 27.9 26.0 57 147 A E G < S+ 0 0 102 -3,-5.4 -1,-0.2 -4,-0.4 -2,-0.2 0.704 88.1 89.4 -86.9 -10.1 20.6 29.5 26.0 58 148 A K S < S- 0 0 109 -3,-1.1 2,-0.2 -4,-0.4 0, 0.0 -0.505 74.8-126.0 -83.3 148.6 22.0 27.2 28.8 59 149 A R - 0 0 147 -2,-0.2 40,-0.2 102,-0.0 -1,-0.1 -0.571 21.2-117.0 -90.9 158.5 23.6 24.0 28.1 60 150 A I E -A 98 0A 0 38,-6.2 38,-4.3 -2,-0.2 2,-0.3 -0.867 23.3-142.1-102.9 132.3 22.5 20.7 29.7 61 151 A P E >> -A 97 0A 52 0, 0.0 3,-2.8 0, 0.0 4,-1.2 -0.706 22.7-116.0 -88.1 136.9 25.0 19.0 32.0 62 152 A R H 3> S+ 0 0 59 34,-2.2 4,-2.4 -2,-0.3 5,-0.2 0.742 113.4 62.4 -43.6 -40.2 25.2 15.2 31.9 63 153 A E H 3> S+ 0 0 148 33,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.853 109.6 46.5 -56.5 -30.0 24.0 14.7 35.4 64 154 A E H <> S+ 0 0 36 -3,-2.8 4,-2.6 2,-0.2 3,-0.4 0.964 108.9 49.7 -73.5 -55.5 20.9 16.4 34.1 65 155 A M H X S+ 0 0 1 -4,-1.2 4,-3.9 1,-0.3 -2,-0.2 0.801 106.5 60.5 -53.2 -32.3 20.4 14.4 30.9 66 156 A L H X S+ 0 0 57 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.3 0.973 107.0 41.9 -62.4 -50.9 20.8 11.3 32.8 67 157 A Q H X S+ 0 0 89 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.865 115.1 53.9 -63.3 -35.0 17.9 12.0 35.0 68 158 A M H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.973 106.0 50.5 -63.6 -48.0 16.1 13.1 32.0 69 159 A Q H X S+ 0 0 46 -4,-3.9 4,-2.3 1,-0.2 -1,-0.2 0.829 108.2 53.6 -58.2 -34.9 16.8 10.0 30.3 70 160 A D H X S+ 0 0 106 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.885 106.8 50.8 -70.1 -35.9 15.6 7.9 33.2 71 161 A I H X S+ 0 0 39 -4,-2.1 4,-2.4 -3,-0.3 5,-0.2 0.991 112.8 46.2 -61.4 -55.5 12.3 9.7 33.4 72 162 A V H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.867 115.3 45.8 -52.8 -46.8 11.7 9.2 29.7 73 163 A L H X S+ 0 0 62 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.896 110.8 51.6 -71.9 -35.0 12.7 5.6 29.6 74 164 A N H X S+ 0 0 81 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.925 110.1 48.7 -69.6 -34.7 10.8 4.6 32.6 75 165 A E H X S+ 0 0 23 -4,-2.4 4,-1.3 -5,-0.2 3,-0.4 0.961 109.7 50.1 -62.9 -52.2 7.5 6.2 31.4 76 166 A V H >X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 3,-0.5 0.884 106.4 57.3 -54.6 -39.8 7.6 4.6 28.0 77 167 A K H 3< S+ 0 0 146 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 103.1 54.9 -61.4 -37.4 8.3 1.2 29.6 78 168 A K H 3< S+ 0 0 123 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.811 107.6 48.3 -65.7 -30.2 5.1 1.5 31.6 79 169 A L H << S- 0 0 30 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.891 138.5 -19.5 -76.4 -38.5 2.9 2.1 28.6 80 170 A D >< - 0 0 42 -4,-1.8 3,-3.2 -5,-0.2 -1,-0.2 -0.514 49.6-152.8-177.6 102.8 4.4 -0.7 26.6 81 171 A P T 3 S+ 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.501 94.3 71.9 -57.3 -5.4 7.6 -2.5 27.2 82 172 A E T 3 S+ 0 0 116 -5,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.692 76.0 101.9 -86.7 -16.9 7.7 -3.3 23.5 83 173 A Y < - 0 0 15 -3,-3.2 2,-0.5 -7,-0.2 24,-0.2 -0.370 65.4-145.1 -62.4 138.8 8.4 0.3 22.7 84 174 A I E +B 106 0B 38 22,-2.8 22,-2.4 -2,-0.1 2,-0.4 -0.923 21.3 175.9-107.9 131.5 12.1 1.1 21.9 85 175 A A E +B 105 0B 19 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.964 4.7 176.3-133.6 125.8 13.5 4.4 23.0 86 176 A T E -B 104 0B 30 18,-2.7 18,-2.3 -2,-0.4 2,-0.7 -0.965 24.3-140.7-128.7 132.8 17.0 5.8 22.6 87 177 A V E +B 103 0B 3 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.813 32.9 177.3 -89.5 119.4 18.4 9.1 23.5 88 178 A C > + 0 0 1 14,-2.3 4,-0.8 -2,-0.7 14,-0.3 0.286 28.6 89.0 -94.0-143.2 20.9 10.1 20.8 89 179 A G H >> S- 0 0 23 91,-1.8 3,-2.5 1,-0.2 4,-0.9 0.056 103.4 -49.8 68.0 166.6 23.1 13.3 20.2 90 180 A S H 34>S+ 0 0 37 1,-0.3 5,-2.2 2,-0.2 3,-0.3 0.785 132.5 73.9 -41.5 -35.3 26.6 13.8 21.6 91 181 A F H >45S+ 0 0 11 -3,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.901 92.6 51.1 -50.2 -45.9 25.1 12.8 24.9 92 182 A R H <<5S+ 0 0 67 -3,-2.5 -1,-0.3 -4,-0.8 -2,-0.2 0.902 105.1 59.5 -59.7 -35.7 25.0 9.2 23.7 93 183 A R T 3<5S- 0 0 62 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.278 129.0 -96.5 -77.1 12.5 28.6 9.7 22.8 94 184 A G T < 5 + 0 0 36 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.564 62.4 174.2 85.6 6.3 29.5 10.4 26.4 95 185 A A < - 0 0 26 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.090 32.6-137.5 -50.1 147.3 29.4 14.2 26.0 96 186 A E S S+ 0 0 152 1,-0.1 -34,-2.2 -35,-0.1 2,-0.3 0.651 83.8 9.9 -81.3 -23.9 29.8 16.1 29.1 97 187 A S E S-A 61 0A 45 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.934 71.1-158.2-151.7 162.1 27.1 18.6 28.4 98 188 A S E -A 60 0A 3 -38,-4.3 -38,-6.2 -2,-0.3 3,-0.1 -0.927 22.8-136.6-144.4 167.1 24.4 18.9 25.8 99 189 A G S S- 0 0 40 1,-0.3 63,-0.4 -2,-0.3 2,-0.3 0.673 80.7 -22.1 -97.3 -26.0 22.1 21.4 24.1 100 190 A D - 0 0 76 -40,-0.1 2,-0.5 61,-0.1 -1,-0.3 -0.983 69.4 -87.5-171.2 172.5 18.9 19.4 24.1 101 191 A M E - c 0 163B 1 61,-2.9 63,-2.0 -2,-0.3 2,-0.6 -0.795 30.7-170.8-100.8 135.6 17.3 16.1 24.4 102 192 A D E - c 0 164B 23 -2,-0.5 -14,-2.3 -14,-0.3 2,-0.5 -0.854 5.0-174.3-129.6 106.7 16.8 14.0 21.4 103 193 A V E -Bc 87 165B 2 61,-3.1 63,-2.4 -2,-0.6 2,-0.4 -0.829 8.8-161.5-101.9 132.9 14.8 10.9 21.7 104 194 A L E -Bc 86 166B 0 -18,-2.3 -18,-2.7 -2,-0.5 2,-0.4 -0.924 17.0-174.2-108.6 132.4 14.2 8.4 19.0 105 195 A L E +Bc 85 167B 2 61,-3.2 63,-3.0 -2,-0.4 2,-0.3 -0.939 10.1 162.2-132.2 147.6 11.3 5.9 19.4 106 196 A T E -B 84 0B 0 -22,-2.4 -22,-2.8 -2,-0.4 5,-0.1 -0.940 16.1-157.5-151.9 176.7 9.9 3.0 17.6 107 197 A H B > -F 110 0C 4 3,-0.5 3,-2.4 61,-0.4 63,-0.6 -0.963 31.0-123.2-160.3 140.8 7.7 -0.0 17.9 108 198 A P T 3 S+ 0 0 43 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 0.748 110.5 66.8 -57.6 -26.4 7.4 -3.3 16.2 109 199 A N T 3 S+ 0 0 107 1,-0.2 2,-0.6 -3,-0.0 11,-0.0 0.662 97.0 64.8 -70.4 -10.4 3.8 -2.3 15.4 110 200 A F B < +F 107 0C 9 -3,-2.4 60,-3.1 58,-0.1 -3,-0.5 -0.901 61.8 157.8-127.5 109.8 5.1 0.3 13.2 111 201 A T >> - 0 0 46 -2,-0.6 3,-1.4 58,-0.3 4,-0.7 -0.834 58.0 -95.8-124.2 160.4 7.1 -0.2 10.2 112 202 A S T 34 S+ 0 0 47 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.518 124.0 58.0 -50.6 -8.4 7.8 1.7 7.1 113 203 A E T 34 S+ 0 0 175 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.867 104.1 49.3 -92.3 -39.2 5.0 -0.2 5.5 114 204 A S T <4 S+ 0 0 27 -3,-1.4 -2,-0.2 -5,-0.0 -4,-0.1 0.964 72.7 174.1 -56.7 -86.7 2.3 0.9 8.0 115 205 A S < + 0 0 74 -4,-0.7 -3,-0.1 2,-0.0 -5,-0.0 0.994 48.8 71.7 71.0 77.2 2.9 4.6 8.0 116 206 A K + 0 0 139 26,-0.1 3,-0.2 27,-0.0 27,-0.0 0.262 45.5 121.6 156.5 57.1 0.1 6.1 10.1 117 207 A Q >> + 0 0 51 1,-0.1 3,-2.0 25,-0.1 4,-0.7 -0.153 13.9 155.9-138.7 56.4 0.2 5.6 13.8 118 208 A P H >> S+ 0 0 42 0, 0.0 4,-3.8 0, 0.0 3,-0.8 0.781 72.3 67.2 -39.8 -43.1 0.2 9.0 15.5 119 209 A K H 3> S+ 0 0 168 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.870 91.4 62.7 -50.8 -44.5 -1.2 7.5 18.7 120 210 A L H <> S+ 0 0 23 -3,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.907 115.0 31.9 -49.6 -46.9 2.0 5.6 19.1 121 211 A L H S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 6,-1.6 0.812 112.1 49.5 -62.1 -32.1 5.1 12.8 29.7 129 219 A Q H ><5S+ 0 0 75 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.919 105.9 54.3 -72.7 -42.7 2.7 15.6 30.1 130 220 A K H 3<5S+ 0 0 88 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.859 107.4 52.4 -60.0 -35.3 0.8 13.9 32.7 131 221 A V T 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.545 113.1-115.9 -79.2 -8.4 4.0 13.4 34.7 132 222 A R T < 5S+ 0 0 211 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.637 87.7 106.2 85.2 12.7 4.9 17.0 34.6 133 223 A F S > - 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.228 31.4-120.1 -62.0 153.3 9.6 2.8 11.8 170 262 A K G >4 S+ 0 0 69 -60,-3.1 3,-0.9 -63,-0.6 4,-0.5 0.879 109.9 57.8 -60.5 -43.5 11.2 -0.1 13.2 171 263 A D G 34 S+ 0 0 73 1,-0.2 -1,-0.3 -61,-0.2 50,-0.2 0.487 116.6 37.5 -69.5 4.2 12.8 -1.4 10.1 172 264 A Q G <> S+ 0 0 45 -3,-1.6 4,-1.5 2,-0.1 -1,-0.2 0.373 87.7 97.9-129.8 -3.9 14.6 2.0 9.9 173 265 A Y H S+ 0 0 52 -4,-0.5 4,-2.5 47,-0.3 -1,-0.2 0.884 110.5 47.5 -50.2 -46.9 19.0 1.5 13.7 175 267 A C H > S+ 0 0 4 29,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.876 114.0 51.7 -60.0 -39.5 20.3 3.4 10.8 176 268 A G H X S+ 0 0 2 -4,-1.5 4,-3.2 28,-0.2 -2,-0.3 0.910 108.6 46.8 -66.3 -46.9 18.4 6.3 12.4 177 269 A V H X S+ 0 0 2 -4,-3.3 4,-0.8 2,-0.2 -2,-0.2 0.894 114.1 50.6 -63.2 -36.3 19.9 5.9 15.8 178 270 A L H >X S+ 0 0 5 -4,-2.5 4,-1.5 -5,-0.3 3,-1.1 0.982 111.7 47.7 -59.6 -56.0 23.3 5.7 14.1 179 271 A Y H >< S+ 0 0 75 -4,-2.9 3,-0.6 1,-0.3 -2,-0.2 0.909 113.1 44.7 -52.7 -55.2 22.6 8.7 12.2 180 272 A F H 3< S+ 0 0 50 -4,-3.2 -91,-1.8 1,-0.2 -1,-0.3 0.577 105.1 66.8 -71.7 -5.7 21.4 10.8 15.0 181 273 A T H << S+ 0 0 1 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.853 87.4 140.3 -81.3 -35.8 24.2 9.6 17.0 182 274 A G << - 0 0 9 -4,-1.5 2,-0.2 -3,-0.6 -1,-0.1 -0.347 58.8-159.9 66.3-165.2 26.9 11.3 14.9 183 275 A S > - 0 0 11 59,-0.3 4,-2.4 -3,-0.0 -1,-0.2 0.579 39.0-130.2 -68.6-179.2 29.4 12.8 15.0 184 276 A D H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.926 106.7 46.2 -65.4 -44.4 29.1 14.4 11.7 185 277 A I H > S+ 0 0 84 57,-0.3 4,-4.0 1,-0.2 5,-0.3 0.921 109.2 56.8 -60.1 -45.7 32.5 13.4 10.5 186 278 A F H > S+ 0 0 0 56,-0.5 4,-3.2 55,-0.4 5,-0.3 0.926 107.4 47.4 -50.2 -53.9 31.9 10.0 11.8 187 279 A N H X S+ 0 0 11 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.899 112.3 50.6 -54.6 -45.8 28.9 9.7 9.6 188 280 A K H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.942 112.7 44.3 -57.7 -56.0 30.8 11.0 6.7 189 281 A N H X S+ 0 0 73 -4,-4.0 4,-3.1 1,-0.2 -2,-0.2 0.933 114.6 49.5 -58.7 -45.8 33.7 8.6 7.1 190 282 A M H X S+ 0 0 1 -4,-3.2 4,-2.5 -5,-0.3 5,-0.2 0.942 110.9 48.1 -61.2 -45.3 31.5 5.7 7.7 191 283 A R H X S+ 0 0 77 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.897 111.8 53.4 -62.5 -33.5 29.3 6.5 4.6 192 284 A A H X S+ 0 0 42 -4,-2.6 4,-1.5 -5,-0.2 3,-0.3 0.952 109.9 44.8 -62.8 -50.7 32.5 6.9 2.7 193 285 A H H >X S+ 0 0 32 -4,-3.1 3,-1.4 1,-0.2 4,-1.4 0.981 108.7 57.7 -55.8 -58.4 33.8 3.5 3.7 194 286 A A H 3<>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.3 4,-0.4 0.762 104.1 54.2 -39.4 -36.8 30.4 1.8 3.0 195 287 A L H ><5S+ 0 0 89 -4,-1.5 3,-2.1 -3,-0.3 -1,-0.3 0.945 102.7 54.0 -66.1 -48.9 30.7 3.0 -0.4 196 288 A E H <<5S+ 0 0 139 -4,-1.5 -2,-0.2 -3,-1.4 -1,-0.2 0.744 109.7 52.3 -56.4 -28.2 34.2 1.4 -0.9 197 289 A K T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.561 129.7 -97.6 -87.2 -7.5 32.5 -1.7 0.2 198 290 A G T < 5S+ 0 0 30 -3,-2.1 11,-2.0 -4,-0.4 2,-0.4 0.836 83.7 112.4 93.8 43.8 29.7 -1.4 -2.3 199 291 A F E < -G 208 0D 37 -5,-2.0 2,-0.5 9,-0.3 -1,-0.3 -0.999 51.0-147.0-150.6 154.6 27.1 0.1 -0.2 200 292 A T E -G 207 0D 42 7,-3.1 7,-3.1 -2,-0.4 2,-0.3 -0.971 17.4-175.1-128.6 128.7 25.1 3.1 0.4 201 293 A I E +G 206 0D 10 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.866 9.4 161.6-115.2 149.5 23.8 4.3 3.7 202 294 A N - 0 0 29 3,-1.8 -23,-0.1 -2,-0.3 -2,-0.0 -0.804 60.8 -76.8-150.4-173.5 21.6 7.1 4.8 203 295 A E S S+ 0 0 40 -2,-0.3 -24,-0.2 1,-0.2 -23,-0.1 0.616 129.5 35.9 -71.3 -11.5 19.6 7.9 7.9 204 296 A Y S S+ 0 0 129 1,-0.3 -29,-0.3 -29,-0.1 2,-0.3 0.820 119.1 6.5-104.3 -47.0 16.9 5.3 6.8 205 297 A T - 0 0 18 -30,-0.1 -3,-1.8 -31,-0.1 2,-0.5 -0.888 44.4-135.3-142.3 173.4 18.7 2.5 5.1 206 298 A I E +G 201 0D 0 13,-0.4 13,-2.8 -2,-0.3 -5,-0.2 -0.998 34.2 175.5-125.9 120.6 21.7 0.5 4.0 207 299 A R E -G 200 0D 42 -7,-3.1 -7,-3.1 -2,-0.5 8,-0.1 -0.993 31.2-113.6-136.5 138.6 21.5 -0.7 0.4 208 300 A P E -G 199 0D 43 0, 0.0 -9,-0.3 0, 0.0 -10,-0.1 -0.355 32.7-137.2 -67.9 145.3 23.9 -2.6 -1.8 209 301 A L + 0 0 51 -11,-2.0 2,-0.3 -14,-0.1 7,-0.2 0.392 25.3 173.3 -80.1-143.9 25.2 -0.7 -4.8 210 302 A G > - 0 0 46 5,-0.2 3,-0.6 3,-0.0 5,-0.1 -0.995 37.9 -12.6 164.6-167.8 25.6 -1.9 -8.4 211 303 A V T 3 S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.391 126.7 4.5 -65.5 138.2 26.4 -1.1 -12.0 212 304 A T T 3 S- 0 0 119 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.035 112.1-104.4 76.3 -24.3 26.5 2.5 -13.0 213 305 A G S < S+ 0 0 29 -3,-0.6 2,-1.1 1,-0.2 -1,-0.2 -0.523 92.0 112.9 105.1 -54.7 25.9 3.2 -9.3 214 306 A V + 0 0 108 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.280 56.2 124.7 -53.6 92.9 22.2 4.1 -9.1 215 307 A A + 0 0 47 -2,-1.1 2,-0.3 -5,-0.1 -5,-0.2 -0.933 26.3 134.1-149.1 169.6 21.2 1.0 -7.2 216 308 A G + 0 0 40 -2,-0.3 -9,-0.0 -7,-0.2 -7,-0.0 -0.995 23.5 173.0 176.5-170.6 19.5 -0.3 -4.0 217 309 A E - 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 -8,-0.0 0.494 50.9-107.7 128.1 85.9 17.1 -2.5 -1.9 218 310 A P - 0 0 76 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 0.141 26.7-137.1 -36.1 129.6 17.5 -2.1 1.8 219 311 A L - 0 0 41 -13,-2.8 -13,-0.4 1,-0.1 2,-0.2 -0.582 33.7 -91.8 -87.6 154.6 19.1 -4.8 3.8 220 312 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.470 41.0-168.3 -70.9 136.4 17.6 -5.9 7.1 221 313 A V + 0 0 13 -50,-0.2 -47,-0.3 -2,-0.2 -48,-0.1 -0.952 21.0 165.0-132.9 111.6 18.9 -4.1 10.2 222 314 A D S S- 0 0 117 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.429 73.5 -1.9-102.8 -0.9 18.2 -5.4 13.8 223 315 A S S > S- 0 0 26 1,-0.1 4,-0.8 -50,-0.0 3,-0.4 -0.969 78.6 -93.0-173.6 168.8 20.8 -3.4 15.5 224 316 A E H >> S+ 0 0 5 -2,-0.3 4,-1.2 1,-0.2 3,-1.2 0.920 118.3 63.8 -57.9 -45.0 23.7 -0.9 15.0 225 317 A Q H 3> S+ 0 0 79 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.810 92.0 62.6 -47.3 -42.1 26.1 -3.8 14.8 226 318 A D H 3> S+ 0 0 40 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.914 99.9 53.0 -56.5 -44.5 24.5 -5.1 11.7 227 319 A I H S+ 0 0 1 -4,-1.2 5,-0.9 1,-0.2 4,-0.5 0.929 111.0 52.6 -62.1 -47.3 29.0 -2.3 10.7 229 321 A D H ><5S+ 0 0 115 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.872 103.6 57.9 -59.8 -32.2 29.0 -6.0 9.9 230 322 A Y H 3<5S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.915 116.8 32.9 -64.2 -39.0 27.6 -5.3 6.5 231 323 A I T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.285 111.7-126.3 -97.5 9.9 30.5 -3.1 5.7 232 324 A Q T < 5 + 0 0 127 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.885 57.6 138.3 40.3 73.3 32.7 -5.2 7.8 233 325 A W < - 0 0 69 -5,-0.9 -1,-0.2 3,-0.0 -2,-0.1 -0.933 64.3 -94.8-133.6 145.0 34.3 -2.8 10.2 234 326 A R - 0 0 89 -2,-0.3 2,-0.3 1,-0.1 0, 0.0 -0.266 55.4 -95.6 -59.5 152.6 34.8 -3.5 13.8 235 327 A Y - 0 0 80 1,-0.0 2,-0.6 -3,-0.0 -1,-0.1 -0.558 36.8-144.9 -72.4 131.6 31.9 -2.1 15.7 236 328 A R - 0 0 76 -2,-0.3 -8,-0.0 -3,-0.1 -1,-0.0 -0.868 8.5-135.8-104.6 122.5 32.5 1.3 17.2 237 329 A E > - 0 0 98 -2,-0.6 3,-1.4 1,-0.1 -144,-0.0 -0.416 34.3-104.6 -67.8 149.6 30.9 2.1 20.5 238 330 A P G > S+ 0 0 26 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.757 118.7 60.2 -43.9 -35.5 29.4 5.6 20.5 239 331 A K G > S+ 0 0 115 1,-0.3 3,-0.6 -147,-0.1 -146,-0.1 0.890 100.0 53.8 -66.8 -37.3 32.3 7.0 22.5 240 332 A D G < S+ 0 0 76 -3,-1.4 3,-0.4 1,-0.2 -1,-0.3 0.188 86.8 96.1 -82.0 21.8 34.8 6.1 19.9 241 333 A R G < + 0 0 0 -3,-1.3 -55,-0.4 1,-0.2 -1,-0.2 0.286 37.4 113.4 -96.3 15.3 32.7 8.0 17.3 242 334 A S < 0 0 80 -3,-0.6 -56,-0.5 1,-0.2 -57,-0.3 0.874 360.0 360.0 -49.3 -44.1 34.4 11.4 17.3 243 335 A E 0 0 140 -3,-0.4 -54,-0.2 -58,-0.2 -1,-0.2 0.355 360.0 360.0-151.7 360.0 35.5 10.8 13.7