==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-SEP-11 3TSP . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.PETKUN,R.SHI,Y.LI,M.CYGLER . 646 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 11.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 1 0 4 2 1 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 5 2 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 PARALLEL BRIDGES PER LADDER . 4 5 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 1 0 1 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 1 101 A Q 0 0 236 0, 0.0 2,-0.3 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 123.2 32.5 36.3 4.3 2 102 A I - 0 0 17 277,-0.1 35,-0.0 339,-0.1 0, 0.0 -0.678 360.0-150.9 -93.4 148.2 29.5 36.8 6.5 3 103 A V - 0 0 76 -2,-0.3 35,-0.5 1,-0.1 3,-0.1 -0.728 28.5 -87.0-112.5 160.2 29.9 37.1 10.3 4 104 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 271,-0.1 -0.219 60.1 -76.7 -61.7 159.2 27.4 36.2 13.0 5 105 A D - 0 0 4 273,-0.6 2,-0.4 31,-0.1 273,-0.0 -0.389 61.8-145.1 -51.7 134.2 24.8 38.7 14.3 6 106 A A B -A 35 0A 22 29,-2.6 29,-2.1 -3,-0.1 166,-0.2 -0.905 10.0-108.1-123.1 140.6 26.7 41.1 16.5 7 107 A A - 0 0 20 164,-2.3 197,-0.2 -2,-0.4 196,-0.1 -0.276 53.8 -86.6 -56.4 137.2 26.0 43.0 19.7 8 108 A T - 0 0 16 195,-1.6 -1,-0.2 26,-0.2 22,-0.1 -0.221 53.9-124.5 -43.5 128.1 25.6 46.8 19.2 9 109 A C > - 0 0 19 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.246 16.8-107.4 -79.2 166.0 29.1 48.3 19.5 10 110 A P H > S+ 0 0 111 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.924 119.3 53.0 -58.8 -43.9 30.2 51.0 21.9 11 111 A A H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.900 111.8 44.7 -57.7 -44.1 30.4 53.6 19.1 12 112 A C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 113.0 51.8 -67.6 -36.5 26.8 52.9 18.0 13 113 A L H X S+ 0 0 39 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.930 111.5 47.3 -65.2 -43.8 25.6 52.9 21.6 14 114 A A H < S+ 0 0 52 -4,-2.9 4,-0.4 2,-0.2 3,-0.3 0.932 111.0 50.5 -60.7 -47.2 27.3 56.3 22.1 15 115 A E H >< S+ 0 0 12 -4,-2.3 3,-1.3 1,-0.2 6,-0.2 0.932 111.4 49.1 -56.0 -46.1 25.8 57.7 18.9 16 116 A M H 3< S+ 0 0 0 -4,-2.4 9,-3.1 1,-0.2 -1,-0.2 0.762 112.5 48.7 -64.1 -29.9 22.3 56.5 20.0 17 117 A N T 3< S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.358 89.7 96.0 -91.9 5.2 22.9 58.1 23.5 18 118 A T S X S- 0 0 62 -3,-1.3 3,-2.2 -4,-0.4 6,-0.1 -0.860 72.3-136.5-103.7 105.7 24.0 61.5 22.1 19 119 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.331 92.9 33.9 -56.6 137.1 21.2 64.1 21.9 20 120 A G T 3 S+ 0 0 82 1,-0.5 2,-0.3 2,-0.0 -2,-0.0 0.234 87.1 121.9 94.4 -16.8 21.4 66.0 18.6 21 121 A E S X S- 0 0 87 -3,-2.2 3,-2.0 -6,-0.2 -1,-0.5 -0.625 71.5-127.7 -70.2 140.0 22.7 62.9 16.8 22 122 A R T 3 S+ 0 0 76 1,-0.3 61,-0.1 -2,-0.3 -1,-0.1 0.769 113.8 48.3 -57.4 -26.9 20.3 62.0 13.8 23 123 A R T > S+ 0 0 0 58,-0.1 3,-2.2 -8,-0.1 -1,-0.3 0.131 78.6 147.8-102.2 19.5 20.3 58.5 15.3 24 124 A Y T < S- 0 0 94 -3,-2.0 -8,-0.2 1,-0.3 -7,-0.2 -0.378 83.4 -9.8 -55.1 124.7 19.6 59.7 18.9 25 125 A R T 3 S+ 0 0 45 -9,-3.1 -1,-0.3 1,-0.2 -9,-0.1 0.662 92.0 155.5 52.8 21.9 17.5 56.9 20.5 26 126 A Y X - 0 0 9 -3,-2.2 3,-1.4 1,-0.1 -1,-0.2 -0.707 36.1-152.1 -75.4 114.6 17.1 55.2 17.1 27 127 A P T 3 S+ 0 0 18 0, 0.0 179,-0.7 0, 0.0 -1,-0.1 0.392 88.3 52.8 -74.9 9.3 16.4 51.5 18.0 28 128 A F T 3 S+ 0 0 6 177,-0.2 52,-0.1 58,-0.1 -2,-0.0 0.171 72.7 141.7-126.9 11.8 17.8 50.2 14.7 29 129 A I < + 0 0 2 -3,-1.4 2,-0.3 -6,-0.2 52,-0.1 -0.321 19.2 150.0 -57.2 134.8 21.3 51.9 14.7 30 130 A N - 0 0 1 50,-0.3 50,-0.2 5,-0.1 2,-0.2 -0.950 22.1-164.1-155.1 168.4 24.1 49.6 13.4 31 131 A C B > -B 34 0B 0 3,-0.6 3,-1.0 -2,-0.3 42,-0.2 -0.786 49.6 -73.5-142.6-168.4 27.4 50.0 11.7 32 132 A T T 3 S+ 0 0 59 40,-2.2 41,-0.1 1,-0.2 45,-0.1 0.781 130.0 47.5 -65.2 -21.4 30.0 48.0 9.8 33 133 A H T 3 S+ 0 0 131 39,-0.3 2,-0.3 43,-0.0 -1,-0.2 0.546 117.3 23.9 -94.1 -11.7 31.0 46.4 13.1 34 134 A C B < S+B 31 0B 0 -3,-1.0 -3,-0.6 2,-0.1 -27,-0.2 -0.911 73.8 69.6-148.0 172.5 27.7 45.5 14.6 35 135 A G B S-A 6 0A 5 -29,-2.1 -29,-2.6 -2,-0.3 -5,-0.1 -0.453 81.5 -28.0 109.3 177.5 24.1 44.7 14.0 36 136 A P + 0 0 3 0, 0.0 -2,-0.1 0, 0.0 -31,-0.1 -0.364 57.1 155.7 -68.6 146.9 22.1 41.8 12.5 37 137 A R S > S+ 0 0 10 40,-0.1 3,-2.2 -2,-0.1 4,-0.5 0.331 70.4 27.5-130.9 -90.0 23.8 39.7 9.8 38 138 A F G > S+ 0 0 0 -35,-0.5 3,-0.9 1,-0.3 218,-0.0 0.834 118.8 60.0 -47.9 -40.0 22.6 36.1 9.2 39 139 A T G 3 S+ 0 0 0 1,-0.2 217,-2.9 217,-0.1 218,-0.7 0.576 109.7 40.3 -70.6 -12.7 19.0 37.0 10.5 40 140 A I G < S+ 0 0 2 -3,-2.2 12,-2.8 215,-0.2 2,-0.5 0.336 89.0 105.9-118.4 7.5 18.5 39.7 7.8 41 141 A I B < +C 51 0C 0 -3,-0.9 10,-0.3 -4,-0.5 3,-0.1 -0.773 36.6 178.0 -95.7 125.6 20.0 38.1 4.7 42 142 A R S S- 0 0 107 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.835 71.4 -19.2 -89.7 -38.4 17.6 36.7 2.0 43 143 A A S S- 0 0 31 7,-1.5 -1,-0.4 2,-0.2 4,-0.3 -0.970 86.1 -54.8-161.3 158.7 20.3 35.6 -0.4 44 144 A M S S+ 0 0 47 -2,-0.3 2,-0.1 -3,-0.1 297,-0.0 -0.494 89.7 63.3 -77.5 155.8 24.0 36.1 -1.2 45 145 A P S S- 0 0 83 0, 0.0 2,-1.4 0, 0.0 -2,-0.2 0.576 85.3-117.3 -74.6 164.5 26.0 38.3 -1.8 46 146 A Y + 0 0 57 -2,-0.1 2,-0.3 -5,-0.1 -2,-0.1 -0.556 67.6 132.4 -71.7 94.7 25.8 40.3 1.4 47 147 A D S > S- 0 0 56 -2,-1.4 3,-2.8 -4,-0.3 -4,-0.2 -0.991 70.2-109.6-151.7 139.0 24.4 43.5 -0.1 48 148 A R G > S+ 0 0 21 -2,-0.3 3,-2.1 1,-0.3 6,-0.5 0.804 114.0 59.5 -42.8 -43.4 21.5 45.7 0.9 49 149 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 0.722 107.8 47.2 -61.5 -19.3 19.2 44.6 -2.1 50 150 A F G < S+ 0 0 91 -3,-2.8 -8,-2.8 -5,-0.2 -7,-1.5 0.075 104.4 79.5-111.6 20.3 19.4 41.0 -0.9 51 151 A T B X S-C 41 0C 2 -3,-2.1 3,-1.8 -10,-0.3 -10,-0.2 -0.782 98.0-100.1-112.8 166.7 18.7 41.8 2.7 52 152 A V G > S+ 0 0 3 -12,-2.8 3,-0.6 -2,-0.3 202,-0.3 0.644 117.2 69.9 -50.1 -20.1 15.5 42.6 4.6 53 153 A M G > + 0 0 1 -13,-0.3 3,-2.1 -5,-0.2 -1,-0.2 0.515 65.8 93.6 -88.2 -3.3 16.6 46.3 4.2 54 154 A A G < S+ 0 0 54 -3,-1.8 -1,-0.2 -6,-0.5 -2,-0.1 0.786 79.6 63.8 -54.6 -31.0 16.0 46.5 0.4 55 155 A A G < S+ 0 0 78 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.559 93.4 67.0 -68.1 -15.3 12.5 47.8 1.3 56 156 A F S < S- 0 0 28 -3,-2.1 -1,-0.2 -4,-0.0 3,-0.1 -0.736 75.8-152.3-117.3 81.6 13.9 51.0 3.0 57 157 A P - 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.273 29.5-110.6 -58.4 131.5 15.6 53.3 0.6 58 158 A L - 0 0 34 4,-0.1 22,-0.1 1,-0.1 27,-0.0 -0.279 24.3-125.3 -61.2 143.9 18.3 55.3 2.4 59 159 A C > - 0 0 24 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.309 38.6 -95.0 -72.7 170.7 17.8 59.1 2.9 60 160 A P H > S+ 0 0 115 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 123.7 49.9 -60.6 -39.3 20.6 61.3 1.6 61 161 A A H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.935 114.2 45.3 -66.5 -44.5 22.6 61.6 4.9 62 162 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 111.5 53.5 -57.8 -43.1 22.5 57.8 5.4 63 163 A D H X S+ 0 0 49 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 106.2 52.0 -64.7 -40.6 23.5 57.2 1.8 64 164 A K H X S+ 0 0 157 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.887 112.1 46.2 -60.9 -40.9 26.5 59.5 2.1 65 165 A E H < S+ 0 0 33 -4,-1.6 3,-0.4 2,-0.2 6,-0.3 0.919 110.8 52.3 -69.5 -44.2 27.7 57.6 5.2 66 166 A Y H < S+ 0 0 22 -4,-2.5 9,-2.5 1,-0.2 -2,-0.2 0.826 115.8 41.8 -56.7 -36.4 27.1 54.2 3.5 67 167 A R H < S+ 0 0 154 -4,-1.9 -1,-0.2 7,-0.2 -2,-0.2 0.608 90.1 98.5 -90.3 -13.5 29.2 55.3 0.5 68 168 A D >< - 0 0 56 -4,-1.0 3,-1.8 -3,-0.4 6,-0.2 -0.701 61.9-154.5 -83.1 111.1 32.0 57.1 2.5 69 169 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.679 94.7 50.1 -58.3 -23.0 35.0 54.6 2.7 70 170 A L T 3 S+ 0 0 161 3,-0.0 2,-0.3 -3,-0.0 -5,-0.1 0.475 90.0 102.0 -93.0 -7.4 36.2 56.4 5.9 71 171 A D S X S- 0 0 33 -3,-1.8 3,-2.4 -6,-0.3 -6,-0.0 -0.584 77.1-129.9 -84.7 139.4 32.9 56.3 7.6 72 172 A R T 3 S+ 0 0 63 1,-0.3 -40,-2.2 -2,-0.3 -39,-0.3 0.716 112.1 53.7 -57.1 -19.8 32.2 53.6 10.4 73 173 A R T > S+ 0 0 25 -42,-0.2 3,-2.7 -8,-0.2 -1,-0.3 0.227 74.1 145.2-100.5 13.3 29.0 52.9 8.4 74 174 A F T < S- 0 0 64 -3,-2.4 -8,-0.2 1,-0.3 -7,-0.2 -0.363 86.5 -11.6 -54.8 121.3 30.7 52.3 5.0 75 175 A H T 3 S+ 0 0 88 -9,-2.5 2,-1.2 1,-0.2 -1,-0.3 0.763 83.8 165.6 51.5 30.5 28.7 49.5 3.4 76 176 A A X - 0 0 1 -3,-2.7 3,-2.0 1,-0.2 -1,-0.2 -0.697 26.7-155.9 -70.3 101.4 26.8 48.9 6.6 77 177 A Q T 3 S+ 0 0 14 -2,-1.2 -1,-0.2 1,-0.3 -26,-0.1 0.863 84.6 38.5 -61.2 -44.2 24.2 46.8 4.7 78 178 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.094 87.3 146.3 -88.4 25.8 21.3 47.2 7.1 79 179 A V < + 0 0 0 -3,-2.0 2,-0.3 -6,-0.1 -50,-0.1 -0.219 15.9 146.1 -60.7 149.8 22.1 50.9 7.9 80 180 A A - 0 0 1 -50,-0.2 -50,-0.3 -52,-0.1 -54,-0.1 -0.973 30.9-150.6-165.1 174.3 19.3 53.3 8.6 81 181 A C >> - 0 0 0 -2,-0.3 4,-2.4 -52,-0.1 3,-0.5 -0.894 47.5 -86.8-142.3 175.5 18.1 56.4 10.6 82 182 A P T 34 S+ 0 0 44 0, 0.0 -59,-0.1 0, 0.0 -60,-0.0 0.789 124.1 56.3 -55.3 -29.5 14.7 57.5 11.9 83 183 A E T 34 S+ 0 0 152 1,-0.1 -25,-0.0 -61,-0.1 -61,-0.0 0.899 125.8 13.6 -67.3 -43.8 14.0 59.3 8.6 84 184 A C T <4 S+ 0 0 17 -3,-0.5 -1,-0.1 -28,-0.1 0, 0.0 0.418 111.7 78.4-119.4 -2.5 14.4 56.3 6.3 85 185 A G S < S- 0 0 9 -4,-2.4 -5,-0.1 1,-0.2 -6,-0.1 -0.280 83.3 -66.8-103.7-172.2 14.4 53.1 8.5 86 186 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.203 49.1-154.7 -63.3 160.8 12.1 50.7 10.4 87 187 A Y - 0 0 93 -60,-0.1 165,-0.9 -61,-0.1 166,-0.1 -0.966 18.3 -95.0-141.1 160.9 10.2 52.0 13.5 88 188 A L E -D 251 0D 3 -2,-0.3 11,-2.1 163,-0.2 2,-0.4 -0.404 31.0-164.4 -71.9 146.3 8.7 50.7 16.7 89 189 A E E -DE 250 98D 57 161,-2.6 161,-2.8 9,-0.2 2,-0.4 -0.999 4.3-156.1-131.0 134.2 5.1 49.8 16.9 90 190 A W E +DE 249 97D 10 7,-2.9 7,-1.6 -2,-0.4 2,-0.4 -0.926 12.8 179.3-107.7 134.1 3.2 49.2 20.2 91 191 A V E +DE 248 96D 37 157,-2.0 157,-2.9 -2,-0.4 2,-0.2 -0.995 10.9 154.4-134.6 124.7 0.1 47.1 20.2 92 192 A S - 0 0 12 3,-2.1 3,-0.2 -2,-0.4 155,-0.1 -0.689 68.0 -54.3-155.5 106.4 -2.0 46.4 23.4 93 193 A H S S- 0 0 145 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.828 125.5 -23.1 27.8 76.3 -5.7 45.5 23.6 94 194 A G S S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.791 116.4 109.6 62.2 31.4 -7.0 48.5 21.6 95 195 A E - 0 0 131 -3,-0.2 -3,-2.1 2,-0.0 2,-0.4 -0.983 42.7-177.2-126.3 147.5 -4.0 50.8 22.2 96 196 A H E +E 91 0D 104 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.999 8.2 160.7-144.5 136.2 -1.6 51.7 19.5 97 197 A A E -E 90 0D 20 -7,-1.6 -7,-2.9 -2,-0.4 2,-0.3 -0.962 18.2-147.8-148.4 167.3 1.6 53.8 19.5 98 198 A E E >> -E 89 0D 91 -2,-0.3 3,-1.1 -9,-0.2 4,-0.7 -0.946 53.5 -17.2-137.1 156.4 4.6 54.3 17.3 99 199 A Q H 3> S- 0 0 102 -11,-2.1 4,-1.9 -2,-0.3 3,-0.5 -0.186 127.8 -0.5 56.4-130.8 8.3 55.1 17.7 100 200 A E H 3> S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.865 135.8 54.2 -58.3 -39.3 9.3 56.7 21.0 101 201 A A H <> S+ 0 0 59 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.820 106.8 52.5 -65.3 -31.8 5.7 56.6 22.3 102 202 A A H X S+ 0 0 0 -4,-0.7 4,-1.9 -3,-0.5 -2,-0.2 0.915 110.0 48.4 -65.2 -45.7 5.6 52.8 21.5 103 203 A L H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.929 111.6 49.5 -57.7 -48.9 8.8 52.4 23.5 104 204 A Q H X S+ 0 0 71 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.806 107.6 53.4 -64.8 -33.8 7.4 54.4 26.4 105 205 A A H X S+ 0 0 25 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.907 111.0 46.8 -65.8 -42.5 4.2 52.4 26.4 106 206 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 112.8 50.4 -63.1 -45.6 6.2 49.2 26.7 107 207 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.927 109.8 49.3 -58.8 -46.9 8.3 50.8 29.5 108 208 A A H X S+ 0 0 54 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.880 111.0 51.1 -62.7 -39.8 5.2 51.8 31.4 109 209 A Q H <>S+ 0 0 22 -4,-2.1 5,-2.4 1,-0.2 4,-0.3 0.912 109.7 48.8 -61.5 -45.3 3.8 48.3 31.1 110 210 A L H ><5S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 19,-0.5 0.862 109.7 52.3 -62.2 -40.2 7.0 46.7 32.4 111 211 A K H 3<5S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 105.0 54.5 -66.4 -35.1 7.2 49.1 35.4 112 212 A M T 3<5S- 0 0 117 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.528 125.3-103.7 -78.8 -3.8 3.6 48.3 36.5 113 213 A G T < 5S+ 0 0 12 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.680 75.2 136.1 91.7 19.8 4.5 44.6 36.5 114 214 A N < - 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Z 0 540G 4 -115,-1.5 2,-1.1 -2,-0.3 -5,-0.2 -0.592 32.2-126.0 -74.9 139.5 27.5 -1.6 36.9 546 646 A D > + 0 0 39 -7,-2.9 4,-1.7 -2,-0.3 3,-0.3 -0.722 32.3 175.4 -93.2 91.1 25.9 -3.7 39.6 547 647 A L H > S+ 0 0 2 -2,-1.1 4,-3.2 1,-0.2 5,-0.3 0.757 72.7 67.0 -74.9 -22.6 22.8 -1.6 40.6 548 648 A A H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 106.5 42.0 -60.3 -46.1 21.5 -4.2 43.0 549 649 A T H > S+ 0 0 40 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.941 114.3 52.5 -65.0 -46.1 24.4 -3.5 45.3 550 650 A F H X S+ 0 0 0 -4,-1.7 4,-3.6 1,-0.2 5,-0.3 0.931 111.6 45.0 -52.0 -53.2 24.1 0.2 44.7 551 651 A W H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.902 112.2 52.8 -61.2 -40.6 20.3 0.3 45.6 552 652 A Q H X S+ 0 0 126 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.962 117.5 36.2 -62.8 -47.1 21.0 -1.9 48.7 553 653 A Q H < S+ 0 0 54 -4,-2.6 -2,-0.2 -16,-0.2 4,-0.2 0.906 120.2 47.5 -73.0 -39.3 23.7 0.4 50.0 554 654 A W H >< S+ 0 0 0 -4,-3.6 3,-1.2 -5,-0.3 -3,-0.2 0.924 111.8 47.7 -70.8 -43.4 22.1 3.7 48.9 555 655 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 115.8 47.2 -66.9 -28.6 18.6 3.0 50.2 556 656 A N T 3< S+ 0 0 81 -4,-1.2 2,-0.8 -5,-0.3 -1,-0.3 0.271 89.8 89.6 -98.6 8.7 20.1 1.9 53.5 557 657 A W < - 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