==== 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 14-SEP-11 3TTD . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.PETKUN,R.SHI,Y.LI,M.CYGLER . 647 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 67.4 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 . 34 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 2 2 2 3 2 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 0 227 0, 0.0 2,-0.5 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 141.5 32.5 37.0 4.4 2 102 A I - 0 0 21 277,-0.1 35,-0.0 339,-0.1 0, 0.0 -0.858 360.0-164.2 -97.6 135.0 29.4 36.9 6.5 3 103 A V - 0 0 70 -2,-0.5 35,-0.5 1,-0.1 3,-0.1 -0.725 29.9 -83.9-111.5 161.0 29.9 37.1 10.3 4 104 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 271,-0.1 -0.174 59.5 -77.5 -64.8 160.1 27.5 36.3 13.1 5 105 A D - 0 0 5 273,-0.6 2,-0.4 1,-0.1 273,-0.0 -0.373 60.1-145.9 -48.0 134.1 24.9 38.8 14.3 6 106 A A B -A 35 0A 22 29,-2.2 29,-2.3 -3,-0.1 166,-0.2 -0.928 10.8-110.0-124.9 137.6 26.8 41.3 16.6 7 107 A A - 0 0 21 164,-2.3 197,-0.2 -2,-0.4 196,-0.1 -0.274 53.9 -86.2 -52.8 137.8 26.0 43.2 19.8 8 108 A T - 0 0 15 195,-1.7 -1,-0.1 26,-0.2 22,-0.1 -0.217 54.9-124.9 -40.0 128.0 25.6 47.0 19.3 9 109 A C > - 0 0 21 -3,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.274 19.1-103.0 -82.6 166.9 29.3 48.4 19.6 10 110 A P H > S+ 0 0 113 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.933 120.0 52.3 -56.0 -43.2 30.5 51.2 21.9 11 111 A A H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.827 111.2 44.5 -61.2 -38.5 30.5 53.8 19.1 12 112 A C H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.898 112.7 53.2 -74.7 -40.7 26.9 53.2 18.0 13 113 A L H X S+ 0 0 42 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.928 110.9 46.2 -56.6 -45.2 25.8 53.1 21.6 14 114 A A H < S+ 0 0 53 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.908 112.1 50.8 -62.8 -42.9 27.5 56.6 22.1 15 115 A E H >< S+ 0 0 14 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.943 110.2 50.8 -59.5 -45.7 25.9 57.9 18.9 16 116 A M H 3< S+ 0 0 0 -4,-3.0 9,-3.0 1,-0.2 -1,-0.2 0.805 111.1 47.9 -61.2 -34.2 22.5 56.7 20.1 17 117 A N T 3< S+ 0 0 63 -4,-1.6 -1,-0.2 7,-0.2 -2,-0.2 0.227 90.2 97.4 -92.5 15.5 22.9 58.4 23.5 18 118 A T S X S- 0 0 60 -3,-1.3 3,-2.1 -4,-0.2 6,-0.1 -0.875 70.6-136.1-113.9 104.1 24.0 61.8 22.1 19 119 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.261 92.2 34.6 -56.8 140.8 21.3 64.5 21.8 20 120 A G T 3 S+ 0 0 82 1,-0.5 2,-0.2 2,-0.0 -2,-0.0 0.032 87.4 119.2 97.1 -26.0 21.6 66.3 18.5 21 121 A E S X S- 0 0 89 -3,-2.1 3,-1.6 -6,-0.2 -1,-0.5 -0.516 71.4-129.5 -67.1 142.5 22.8 63.2 16.6 22 122 A R T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.2 61,-0.1 0.821 112.0 48.6 -58.0 -33.6 20.4 62.3 13.8 23 123 A R T > S+ 0 0 1 58,-0.1 3,-2.4 -8,-0.1 -1,-0.3 0.124 79.4 147.8 -94.9 17.5 20.4 58.7 15.3 24 124 A Y T < S- 0 0 93 -3,-1.6 -8,-0.2 1,-0.3 -7,-0.2 -0.379 82.4 -9.8 -57.0 122.0 19.8 59.9 18.8 25 125 A R T 3 S+ 0 0 48 -9,-3.0 -1,-0.3 1,-0.2 -9,-0.1 0.735 93.2 155.2 56.7 26.6 17.7 57.2 20.5 26 126 A Y X - 0 0 10 -3,-2.4 3,-1.3 1,-0.1 -1,-0.2 -0.762 36.5-151.9 -84.0 116.3 17.2 55.4 17.2 27 127 A P T 3 S+ 0 0 17 0, 0.0 179,-0.6 0, 0.0 -1,-0.1 0.402 88.6 51.8 -72.0 4.9 16.6 51.8 18.0 28 128 A F T 3 S+ 0 0 6 177,-0.2 52,-0.1 58,-0.1 2,-0.0 0.158 72.3 141.3-125.8 15.5 18.0 50.4 14.7 29 129 A I < + 0 0 2 -3,-1.3 2,-0.3 -6,-0.2 52,-0.1 -0.347 20.8 152.4 -54.1 133.5 21.4 52.1 14.7 30 130 A N - 0 0 1 50,-0.3 2,-0.2 5,-0.1 50,-0.2 -0.963 21.2-165.6-153.0 167.4 24.2 49.8 13.4 31 131 A C B > -B 34 0B 0 3,-0.7 3,-1.1 -2,-0.3 42,-0.2 -0.745 49.2 -74.0-140.0-166.8 27.5 50.2 11.6 32 132 A T T 3 S+ 0 0 62 40,-2.1 41,-0.1 1,-0.2 45,-0.1 0.786 129.2 47.8 -64.4 -22.0 30.1 48.1 9.8 33 133 A H T 3 S+ 0 0 136 39,-0.3 2,-0.3 43,-0.0 -1,-0.2 0.454 117.0 23.2 -96.8 -4.3 31.1 46.5 13.1 34 134 A C B < S+B 31 0B 0 -3,-1.1 -3,-0.7 2,-0.1 -27,-0.2 -0.964 73.4 68.3-157.6 165.7 27.8 45.6 14.6 35 135 A G B S-A 6 0A 7 -29,-2.3 -29,-2.2 -2,-0.3 -5,-0.1 -0.452 81.9 -25.8 108.6 178.9 24.1 44.8 14.1 36 136 A P + 0 0 4 0, 0.0 -2,-0.1 0, 0.0 -31,-0.0 -0.302 58.3 153.8 -65.6 145.5 22.1 42.0 12.6 37 137 A R S >> S+ 0 0 15 40,-0.1 3,-2.2 4,-0.0 4,-0.5 0.297 70.8 29.1-131.1 -85.0 23.7 39.8 9.8 38 138 A F G >4 S+ 0 0 0 -35,-0.5 3,-0.9 1,-0.3 218,-0.0 0.837 119.3 60.0 -51.6 -37.5 22.6 36.2 9.3 39 139 A T G 34 S+ 0 0 0 1,-0.2 217,-2.8 217,-0.1 218,-0.7 0.575 108.6 39.7 -72.3 -13.6 19.1 37.3 10.5 40 140 A I G <4 S+ 0 0 2 -3,-2.2 12,-2.7 215,-0.2 2,-0.5 0.293 89.7 107.3-119.0 10.9 18.4 40.0 7.8 41 141 A I B << +C 51 0C 0 -3,-0.9 10,-0.3 -4,-0.5 3,-0.1 -0.806 36.0 177.3 -98.8 124.3 19.9 38.2 4.7 42 142 A R S S- 0 0 106 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.822 70.8 -21.4 -85.6 -43.5 17.6 36.9 2.0 43 143 A A S S- 0 0 30 7,-1.6 -1,-0.4 2,-0.2 4,-0.3 -0.972 85.3 -51.5-159.8 164.3 20.3 35.7 -0.4 44 144 A M S S+ 0 0 45 -2,-0.3 2,-0.1 2,-0.1 297,-0.0 -0.543 90.3 61.5 -84.6 159.1 24.0 36.2 -1.3 45 145 A P S S- 0 0 85 0, 0.0 2,-1.1 0, 0.0 5,-0.2 0.551 85.3-117.4 -70.6 161.9 25.9 38.4 -1.9 46 146 A Y + 0 0 53 -2,-0.1 2,-0.3 -5,-0.1 -2,-0.1 -0.519 67.3 131.9 -66.6 100.4 25.7 40.4 1.4 47 147 A D S > S- 0 0 55 -2,-1.1 3,-3.0 -4,-0.3 -4,-0.2 -0.971 70.5-109.1-159.8 135.7 24.3 43.6 -0.2 48 148 A R G > S+ 0 0 23 -2,-0.3 3,-2.1 1,-0.3 6,-0.5 0.801 114.7 59.5 -41.7 -45.8 21.4 45.8 0.9 49 149 A P G 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 0.726 108.7 46.4 -57.7 -21.0 19.1 44.8 -2.1 50 150 A F G < S+ 0 0 89 -3,-3.0 -8,-2.5 -5,-0.2 -7,-1.6 0.072 104.7 75.7-109.9 22.3 19.4 41.1 -0.9 51 151 A T B X S-C 41 0C 2 -3,-2.1 3,-1.7 -10,-0.3 -10,-0.2 -0.816 99.7 -98.1-122.1 164.8 18.7 41.9 2.7 52 152 A V G > S+ 0 0 5 -12,-2.7 3,-0.6 -2,-0.3 202,-0.3 0.569 115.6 73.5 -55.1 -13.2 15.4 42.7 4.5 53 153 A M G > + 0 0 2 -13,-0.3 3,-1.8 -5,-0.3 -1,-0.3 0.488 63.7 92.1 -88.3 -2.3 16.5 46.4 4.2 54 154 A A G < S+ 0 0 55 -3,-1.7 -1,-0.2 -6,-0.5 -2,-0.1 0.798 78.9 66.5 -57.0 -29.4 15.9 46.8 0.4 55 155 A A G < S+ 0 0 79 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.660 94.8 63.3 -61.1 -22.1 12.4 48.0 1.5 56 156 A F S < S- 0 0 28 -3,-1.8 -1,-0.2 -4,-0.1 28,-0.1 -0.753 75.0-156.0-113.8 84.0 13.9 51.1 3.1 57 157 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.338 30.5-109.0 -61.7 143.2 15.7 53.4 0.6 58 158 A L - 0 0 34 1,-0.1 22,-0.1 2,-0.1 27,-0.0 -0.441 22.3-124.2 -75.7 141.7 18.3 55.5 2.3 59 159 A C > - 0 0 24 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.277 38.7 -98.8 -67.8 166.6 17.9 59.3 2.9 60 160 A P H > S+ 0 0 116 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.864 122.4 53.0 -62.3 -33.4 20.7 61.4 1.4 61 161 A A H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.925 112.9 44.4 -68.5 -43.7 22.6 61.8 4.8 62 162 A C H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 112.4 51.9 -59.0 -45.5 22.6 58.0 5.4 63 163 A D H X S+ 0 0 58 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.869 105.6 54.5 -66.5 -37.6 23.6 57.3 1.8 64 164 A K H X S+ 0 0 167 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.904 112.3 45.2 -60.2 -39.7 26.6 59.7 2.0 65 165 A E H < S+ 0 0 35 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.912 109.9 53.1 -71.9 -41.7 27.7 57.8 5.2 66 166 A Y H < S+ 0 0 20 -4,-2.6 9,-2.2 1,-0.2 -1,-0.2 0.797 114.9 44.4 -57.6 -31.4 27.2 54.3 3.5 67 167 A R H < S+ 0 0 149 -4,-1.5 -1,-0.2 7,-0.2 -2,-0.2 0.617 86.6 96.3 -94.4 -16.6 29.4 55.6 0.6 68 168 A D >< - 0 0 68 -4,-1.0 3,-2.0 -3,-0.4 6,-0.2 -0.719 63.2-150.8 -83.2 111.1 32.3 57.3 2.4 69 169 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.678 95.4 48.7 -50.7 -28.0 35.2 54.7 2.7 70 170 A L T 3 S+ 0 0 162 3,-0.0 2,-0.3 -3,-0.0 -5,-0.0 0.451 89.5 103.0 -94.1 -3.4 36.5 56.3 6.0 71 171 A D S X S- 0 0 36 -3,-2.0 3,-2.2 -6,-0.2 -6,-0.0 -0.597 76.4-128.8 -84.3 141.0 33.1 56.4 7.7 72 172 A R T 3 S+ 0 0 61 1,-0.3 -40,-2.1 -2,-0.3 -39,-0.3 0.764 111.5 53.1 -55.8 -26.7 32.2 53.8 10.4 73 173 A R T > S+ 0 0 24 -42,-0.2 3,-2.6 -8,-0.1 -1,-0.3 0.251 75.8 144.8 -96.4 10.8 29.0 53.1 8.5 74 174 A F T < S- 0 0 64 -3,-2.2 -8,-0.2 1,-0.3 -7,-0.2 -0.354 84.7 -10.6 -55.7 117.0 30.8 52.4 5.1 75 175 A H T 3 S+ 0 0 89 -9,-2.2 2,-1.5 1,-0.3 -1,-0.3 0.807 84.0 165.9 58.9 30.1 28.8 49.7 3.4 76 176 A A X - 0 0 1 -3,-2.6 3,-2.3 1,-0.2 -1,-0.3 -0.684 26.3-156.1 -72.7 97.9 26.9 49.1 6.5 77 177 A Q T 3 S+ 0 0 16 -2,-1.5 -1,-0.2 1,-0.3 -26,-0.1 0.813 84.7 36.2 -56.3 -43.8 24.3 47.0 4.6 78 178 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.049 85.4 144.1 -97.0 30.0 21.4 47.5 7.0 79 179 A V < + 0 0 0 -3,-2.3 2,-0.3 -6,-0.1 -50,-0.1 -0.300 17.9 152.5 -59.3 147.7 22.2 51.1 8.0 80 180 A A - 0 0 0 -50,-0.2 -50,-0.3 -52,-0.1 -22,-0.1 -0.957 27.9-153.5-161.0 168.1 19.2 53.4 8.7 81 181 A C > - 0 0 0 -2,-0.3 4,-2.6 -52,-0.1 3,-0.2 -0.855 45.9 -88.7-135.1 177.7 18.2 56.6 10.6 82 182 A P T 4 S+ 0 0 40 0, 0.0 -59,-0.1 0, 0.0 -60,-0.0 0.805 124.2 56.0 -57.6 -29.0 14.7 57.8 11.9 83 183 A E T 4 S+ 0 0 153 1,-0.2 -25,-0.0 -61,-0.1 -61,-0.0 0.925 127.1 13.6 -69.6 -44.6 14.1 59.6 8.6 84 184 A C T 4 S+ 0 0 18 -3,-0.2 -1,-0.2 -28,-0.1 0, 0.0 0.457 112.6 79.4-111.3 -2.1 14.6 56.5 6.3 85 185 A G S < S- 0 0 9 -4,-2.6 -5,-0.1 1,-0.2 -6,-0.0 -0.205 82.3 -68.6-104.7-172.5 14.5 53.4 8.6 86 186 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.239 48.1-152.3 -63.8 160.8 12.2 51.0 10.5 87 187 A Y - 0 0 98 -60,-0.1 165,-0.9 -61,-0.1 2,-0.1 -0.958 17.1 -98.7-141.5 159.2 10.3 52.3 13.5 88 188 A L E -D 251 0D 3 -2,-0.3 11,-1.9 163,-0.2 2,-0.4 -0.433 31.3-164.2 -74.2 148.9 8.8 50.9 16.7 89 189 A E E -DE 250 98D 58 161,-3.0 161,-2.4 9,-0.2 2,-0.4 -0.997 4.6-155.2-134.4 140.7 5.2 50.0 17.0 90 190 A W E -DE 249 97D 11 7,-2.6 7,-1.6 -2,-0.4 2,-0.4 -0.958 12.0-179.1-117.4 130.6 3.2 49.4 20.3 91 191 A V E +DE 248 96D 40 157,-2.1 157,-2.6 -2,-0.4 5,-0.2 -0.996 12.9 151.4-132.1 124.2 0.1 47.3 20.3 92 192 A S - 0 0 11 3,-2.6 155,-0.1 -2,-0.4 154,-0.1 -0.554 67.9 -53.1-157.1 97.6 -2.1 46.7 23.5 93 193 A H S S- 0 0 151 1,-0.2 3,-0.1 -2,-0.1 153,-0.0 0.917 125.2 -23.6 38.1 79.5 -5.9 45.9 23.7 94 194 A G S S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.945 117.9 107.9 45.6 55.7 -7.1 48.9 21.7 95 195 A E + 0 0 138 2,-0.0 -3,-2.6 -5,-0.0 2,-0.3 -0.889 41.6 175.2-150.5 138.6 -4.1 51.1 22.3 96 196 A H E +E 91 0D 101 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.983 5.3 158.7-142.7 143.0 -1.5 51.9 19.6 97 197 A A E -E 90 0D 21 -7,-1.6 -7,-2.6 -2,-0.3 2,-0.3 -0.952 18.2-148.0-153.5 172.5 1.6 54.0 19.4 98 198 A E E >> -E 89 0D 91 -2,-0.3 3,-0.9 -9,-0.2 4,-0.7 -0.943 53.3 -6.3-144.0 163.7 4.7 54.4 17.4 99 199 A Q H >> S- 0 0 102 -11,-1.9 4,-1.8 -2,-0.3 3,-0.5 -0.153 126.3 -3.9 55.4-134.1 8.3 55.5 17.7 100 200 A E H 3> S+ 0 0 75 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 137.9 53.9 -57.3 -38.7 9.4 57.1 21.1 101 201 A A H <> S+ 0 0 60 -3,-0.9 4,-1.8 2,-0.2 -1,-0.3 0.839 105.2 53.5 -64.8 -34.3 5.8 56.9 22.3 102 202 A A H S+ 0 0 22 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.920 111.1 47.8 -65.7 -43.5 3.8 48.7 31.2 110 210 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 19,-0.5 0.881 110.2 52.4 -62.4 -41.2 7.0 47.0 32.5 111 211 A K H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 103.9 57.2 -66.2 -29.2 7.3 49.3 35.4 112 212 A M T 3<5S- 0 0 119 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.487 124.5-102.3 -82.6 1.7 3.7 48.5 36.4 113 213 A G T < 5S+ 0 0 12 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.667 77.1 138.3 87.6 18.4 4.6 44.8 36.7 114 214 A N < - 0 0 43 -5,-2.4 2,-0.5 -6,-0.2 15,-0.3 -0.377 54.0-113.4 -88.4 172.2 3.0 43.8 33.3 115 215 A I - 0 0 1 129,-0.1 131,-3.5 13,-0.1 132,-0.9 -0.925 30.9-170.3-115.4 119.0 4.4 41.5 30.7 116 216 A V E -Fg 127 247D 0 11,-1.7 11,-2.8 -2,-0.5 2,-0.4 -0.865 19.7-136.4-111.7 137.4 5.5 42.8 27.3 117 217 A A E -Fg 126 248D 0 130,-2.3 132,-3.6 -2,-0.4 2,-0.4 -0.783 26.8-164.9 -85.3 132.7 6.5 40.9 24.1 118 218 A I E -Fg 125 249D 4 7,-2.6 7,-2.9 -2,-0.4 2,-0.3 -0.981 18.3-127.5-126.2 130.8 9.5 42.6 22.6 119 219 A K E +F 124 0D 4 130,-2.5 5,-0.2 -2,-0.4 2,-0.1 -0.612 36.9 176.6 -76.2 131.9 10.8 42.1 19.1 120 220 A G - 0 0 4 3,-3.1 3,-0.1 -2,-0.3 -1,-0.0 -0.357 44.6 -79.5-116.5-159.3 14.5 41.1 19.0 121 221 A I S S+ 0 0 24 1,-0.2 3,-0.1 -2,-0.1 139,-0.1 0.862 123.2 17.5 -70.8 -40.3 17.2 40.1 16.5 122 222 A G S S- 0 0 8 137,-0.2 137,-2.2 1,-0.1 2,-0.3 0.153 133.5 -33.5-126.3 18.5 16.2 36.4 16.0 123 223 A G S S- 0 0 10 135,-0.2 -3,-3.1 109,-0.1 2,-0.3 -0.967 80.4 -60.1 153.5-157.4 12.7 36.2 17.4 124 224 A F E -F 119 0D 4 107,-0.4 99,-2.9 -2,-0.3 2,-0.3 -0.914 39.1-149.5-127.8 143.3 10.5 37.8 20.2 125 225 A H E -FH 118 222D 15 -7,-2.9 -7,-2.6 -2,-0.3 2,-0.5 -0.810 10.8-135.1-107.4 155.8 11.0 37.9 23.9 126 226 A L E -FH 117 221D 0 95,-3.0 95,-2.3 -2,-0.3 2,-0.3 -0.972 33.5-174.0-103.2 128.6 8.7 38.0 26.8 127 227 A A E +FH 116 220D 0 -11,-2.8 -11,-1.7 -2,-0.5 2,-0.3 -0.887 17.6 148.0-124.3 152.3 9.8 40.5 29.4 128 228 A C E - 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0 0 44 0, 0.0 2,-0.4 0, 0.0 42,-0.2 -0.153 29.3-133.7 -63.4 148.6 14.4 28.7 34.8 150 250 A L - 0 0 4 40,-2.5 48,-0.4 -3,-0.1 2,-0.2 -0.833 13.6-122.5-103.2 138.8 14.0 32.1 33.1 151 251 A A - 0 0 16 -2,-0.4 69,-2.5 46,-0.1 2,-0.4 -0.551 29.4-152.6 -69.1 144.6 16.9 34.1 31.5 152 252 A V E -iJ 199 219D 0 46,-2.9 48,-2.0 67,-0.3 2,-0.5 -0.960 7.9-143.6-128.3 135.3 17.3 37.6 32.9 153 253 A M E -iJ 200 218D 0 65,-3.7 65,-2.7 -2,-0.4 48,-0.2 -0.875 17.5-163.4 -97.1 127.8 18.7 40.7 31.3 154 254 A L - 0 0 14 46,-2.5 57,-0.1 -2,-0.5 3,-0.1 -0.794 24.9-128.8-105.3 150.4 20.7 43.0 33.6 155 255 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.829 90.2 2.3 -64.8 -35.7 21.5 46.6 32.8 156 256 A V - 0 0 76 2,-0.1 44,-0.1 45,-0.1 0, 0.0 -0.917 66.3-120.5-144.7 167.2 25.3 46.0 33.5 157 257 A A > + 0 0 9 -2,-0.3 3,-2.0 -3,-0.1 8,-0.1 0.346 60.0 141.0 -91.4 4.4 27.7 43.2 34.5 158 258 A D T 3 + 0 0 130 1,-0.2 -2,-0.1 7,-0.1 0, 0.0 -0.203 68.5 20.6 -52.2 137.1 28.9 45.0 37.7 159 259 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 24,-0.0 3,-0.1 0.277 95.5 114.1 86.7 -7.6 29.3 42.5 40.6 160 260 A L S < S- 0 0 7 -3,-2.0 -1,-0.3 1,-0.1 5,-0.1 -0.583 79.4 -87.3 -89.6 159.0 29.6 39.3 38.5 161 261 A P >> - 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0 0 3 -3,-1.7 89,-0.2 -6,-0.3 -5,-0.2 0.904 18.2-174.8 44.2 59.0 26.5 38.6 23.9 174 274 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 27,-0.4 -0.268 34.0 -99.6 -74.3 168.3 25.4 35.2 25.2 175 275 A I E -k 263 0D 14 87,-3.2 89,-3.0 25,-0.1 2,-0.5 -0.782 44.2-158.0 -70.9 130.7 23.3 34.2 28.2 176 276 A V E -kL 264 199D 0 23,-3.1 23,-2.4 -2,-0.5 2,-0.4 -0.965 12.5-132.3-121.4 125.7 25.9 33.2 30.9 177 277 A L E +kL 265 198D 30 87,-2.2 89,-1.6 -2,-0.5 2,-0.3 -0.689 34.4 173.7 -79.6 130.4 24.9 31.0 33.8 178 278 A V E - L 0 197D 1 19,-2.2 19,-2.7 -2,-0.4 5,-0.1 -0.906 42.5 -84.7-137.8 149.4 26.2 32.5 37.0 179 279 A D E > - L 0 196D 67 -2,-0.3 3,-1.8 17,-0.2 4,-0.3 -0.371 37.5-129.7 -59.8 135.5 25.7 31.4 40.7 180 280 A K G > S+ 0 0 72 15,-2.7 3,-1.7 1,-0.3 6,-0.2 0.775 100.9 75.8 -66.8 -19.4 22.5 32.9 41.9 181 281 A K G 3 S+ 0 0 134 14,-0.4 -1,-0.3 1,-0.3 15,-0.1 0.743 88.1 61.2 -56.8 -20.8 24.2 34.4 45.0 182 282 A Y G < S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.677 105.2 47.9 -80.8 -14.2 25.7 37.0 42.7 183 283 A V X + 0 0 13 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.2 -0.550 59.2 159.9-126.1 64.7 22.2 38.4 41.8 184 284 A P T 3 + 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 66.5 73.8 -65.3 -18.1 20.2 38.8 45.0 185 285 A E T 3 S+ 0 0 117 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.710 74.4 98.3 -65.4 -22.5 17.7 41.2 43.3 186 286 A L S < S- 0 0 22 -3,-1.7 -55,-0.2 -6,-0.2 -56,-0.0 -0.525 80.7-120.2 -72.8 131.0 16.1 38.4 41.4 187 287 A C > - 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Z 0 540G 3 -115,-1.4 2,-1.2 -2,-0.3 -5,-0.2 -0.537 33.3-125.7 -70.7 135.5 27.6 -1.7 37.2 546 646 A D > + 0 0 37 -7,-3.2 4,-1.7 -2,-0.2 3,-0.3 -0.716 31.7 177.0 -88.6 92.0 26.0 -3.7 40.0 547 647 A L H > S+ 0 0 3 -2,-1.2 4,-3.0 1,-0.2 5,-0.3 0.768 73.2 67.2 -70.5 -23.6 22.8 -1.7 40.8 548 648 A A H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 105.8 41.1 -59.4 -44.7 21.6 -4.3 43.4 549 649 A T H > S+ 0 0 40 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.944 114.6 53.7 -69.7 -45.1 24.5 -3.5 45.6 550 650 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.895 111.0 43.7 -50.3 -53.1 24.1 0.2 44.9 551 651 A W H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.943 112.6 53.4 -65.9 -42.6 20.4 0.4 45.9 552 652 A Q H X S+ 0 0 124 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.929 117.1 36.9 -59.4 -43.9 21.0 -1.8 49.0 553 653 A Q H < S+ 0 0 52 -4,-2.6 -1,-0.2 -16,-0.2 -2,-0.2 0.923 119.8 47.3 -74.7 -42.5 23.7 0.5 50.2 554 654 A W H >< S+ 0 0 0 -4,-3.2 3,-1.2 -5,-0.3 -2,-0.2 0.921 112.2 47.8 -67.5 -40.5 22.1 3.8 49.1 555 655 A L H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 115.3 47.3 -71.3 -27.0 18.6 3.1 50.5 556 656 A N T 3< S+ 0 0 80 -4,-0.9 2,-0.8 -5,-0.4 -1,-0.3 0.269 90.0 91.6 -97.2 8.6 20.1 2.0 53.8 557 657 A W < - 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0 0 9 -3,-2.3 4,-2.2 1,-0.2 5,-0.1 -0.614 59.6-161.6 -73.3 114.0 26.6 17.6 35.0 602 702 A R H > S+ 0 0 86 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.822 86.4 51.8 -64.9 -37.4 29.5 19.5 36.8 603 703 A L H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 110.5 48.4 -66.0 -46.4 29.6 17.3 39.9 604 704 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.923 112.2 49.7 -61.4 -45.3 29.8 14.1 37.8 605 705 A R H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.952 112.3 47.2 -51.0 -55.0 32.6 15.7 35.6 606 706 A A H X S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.888 114.0 47.7 -60.5 -40.3 34.6 16.7 38.7 607 707 A R H X S+ 0 0 44 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.936 111.9 49.3 -68.3 -42.5 34.1 13.3 40.3 608 708 A L H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.916 111.4 49.3 -58.1 -45.5 35.2 11.5 37.1 609 709 A A H < S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.2 54.9 -64.6 -35.3 38.3 13.7 36.8 610 710 A H H >< S+ 0 0 112 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.934 113.3 38.9 -62.4 -44.5 39.0 12.9 40.4 611 711 A Y H 3< S+ 0 0 57 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.658 116.9 51.7 -83.0 -12.3 39.0 9.1 39.9 612 712 A L T >< + 0 0 0 -4,-1.3 3,-1.6 -5,-0.2 -1,-0.2 -0.115 60.7 127.4-119.5 38.6 40.8 9.2 36.5 613 713 A A T < + 0 0 88 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.713 68.5 67.4 -67.2 -22.7 43.9 11.3 37.1 614 714 A D T 3 S+ 0 0 98 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.333 99.8 61.5 -74.8 3.3 46.0 8.5 35.6 615 715 A F S < S- 0 0 22 -3,-1.6 2,-0.5 -6,-0.1 -24,-0.2 -0.899 88.8-109.8-126.6 159.2 44.4 9.2 32.1 616 716 A T E -a 591 0G 79 -26,-2.6 -24,-3.0 -2,-0.3 2,-0.5 -0.814 43.3-149.4 -82.7 128.3 44.3 12.1 29.7 617 717 A L E -a 592 0G 42 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.894 14.1-164.3-111.3 128.6 40.6 13.3 29.9 618 718 A L E +a 593 0G 19 -26,-2.7 -24,-2.1 -2,-0.5 -234,-0.1 -0.929 14.9 170.2-111.7 110.6 38.6 14.8 27.0 619 719 A F - 0 0 37 -2,-0.6 -24,-0.1 -26,-0.2 2,-0.1 -0.887 39.3-101.3-112.4 151.8 35.4 16.7 27.9 620 720 A P + 0 0 10 0, 0.0 5,-0.1 0, 0.0 -237,-0.1 -0.379 50.3 150.3 -67.4 147.9 33.3 18.9 25.6 621 721 A Q + 0 0 90 -352,-0.1 -351,-2.6 3,-0.1 4,-0.1 0.455 68.4 38.5-141.8 -51.0 33.6 22.7 25.9 622 722 A S S S+ 0 0 61 -353,-0.2 -351,-0.1 2,-0.1 -353,-0.0 0.613 119.7 43.3 -90.1 -11.2 33.1 24.6 22.7 623 723 A L S S- 0 0 7 -353,-0.1 -353,-0.2 -240,-0.0 6,-0.1 -0.945 101.9 -91.8-121.0 152.7 30.2 22.5 21.5 624 724 A P - 0 0 11 0, 0.0 5,-0.2 0, 0.0 -353,-0.2 -0.370 24.0-137.1 -59.5 138.4 27.3 21.2 23.6 625 725 A A S S+ 0 0 2 -355,-0.4 -29,-1.7 -5,-0.1 -27,-0.1 0.720 86.2 61.7 -62.5 -28.3 27.9 17.7 25.2 626 726 A G S > S- 0 0 8 -29,-0.2 3,-2.1 -30,-0.2 4,-0.3 0.128 118.6 -53.7 -90.8-151.1 24.4 16.9 24.2 627 727 A D G > S+ 0 0 25 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.648 119.9 76.6 -69.4 -16.8 22.4 16.6 21.0 628 728 A G G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -357,-0.2 4,-0.2 0.734 101.5 40.9 -63.6 -22.6 23.4 20.1 20.0 629 729 A G G <> S+ 0 0 0 -3,-2.1 4,-1.2 -5,-0.2 3,-0.4 0.475 89.1 95.5-101.6 -3.8 26.9 18.8 19.0 630 730 A L H <> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.3 5,-0.2 0.842 74.1 60.3 -64.7 -40.9 25.7 15.5 17.4 631 731 A S H > S+ 0 0 0 -4,-0.5 4,-2.5 -327,-0.2 -1,-0.2 0.918 103.3 54.8 -49.4 -44.8 25.6 16.7 13.8 632 732 A L H > S+ 0 0 7 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.925 106.4 50.3 -55.2 -48.0 29.4 17.4 14.1 633 733 A G H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.894 109.5 50.4 -56.0 -48.0 30.1 13.8 15.2 634 734 A Q H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.901 110.9 51.6 -52.8 -48.2 28.1 12.4 12.3 635 735 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 109.3 45.8 -61.6 -50.4 30.1 14.6 10.0 636 736 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.888 114.4 50.5 -62.2 -33.8 33.6 13.6 11.1 637 737 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.968 111.8 45.3 -68.6 -51.3 32.6 9.9 11.1 638 738 A A H X S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.909 115.2 50.2 -54.2 -41.9 31.2 10.0 7.5 639 739 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.880 109.6 49.6 -62.6 -39.7 34.3 12.0 6.5 640 740 A A H X S+ 0 0 3 -4,-1.9 4,-1.4 -218,-0.2 -2,-0.2 0.882 110.5 49.8 -73.9 -35.3 36.6 9.5 8.1 641 741 A R H <>S+ 0 0 51 -4,-2.3 5,-2.3 -219,-0.2 -1,-0.2 0.872 113.4 46.2 -65.9 -42.7 34.9 6.5 6.4 642 742 A W H ><5S+ 0 0 96 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 0.913 109.8 53.8 -65.1 -44.0 35.1 8.3 3.0 643 743 A L H 3<5S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.800 105.6 54.1 -62.1 -30.3 38.8 9.2 3.6 644 744 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.363 118.1-115.6 -79.3 -1.3 39.6 5.5 4.3 645 745 A G T < 5 - 0 0 61 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.744 48.9-179.8 69.6 24.2 38.0 4.7 0.9 646 746 A E < 0 0 79 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.380 360.0 360.0 -61.9 136.9 35.1 2.7 2.5 647 747 A V 0 0 201 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.074 360.0 360.0 -45.0 360.0 32.6 1.2 0.0