==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-AUG-09 3ITG . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN PUTA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR J.J.TANNER . 800 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 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 . 32 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 11 3 2 1 2 0 3 1 4 0 1 1 2 0 2 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 87 A P 0 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 6.8 33.6 -4.4 2 88 A Q - 0 0 106 2,-0.0 2,-0.2 4,-0.0 3,-0.0 -0.785 360.0-131.5-112.7 146.0 4.2 31.5 -2.7 3 89 A S > - 0 0 22 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.474 39.1-105.0 -76.0 162.5 0.4 31.4 -2.5 4 90 A V H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.905 123.4 50.7 -55.7 -44.6 -1.2 31.0 0.9 5 91 A S H 4 S+ 0 0 38 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.905 108.8 52.5 -60.8 -42.0 -2.1 27.4 0.2 6 92 A R H >4 S+ 0 0 4 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.929 108.5 49.3 -59.5 -45.6 1.5 26.8 -0.9 7 93 A A H 3< S+ 0 0 52 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.721 100.2 68.7 -66.7 -20.3 2.9 28.2 2.3 8 94 A A T 3< S+ 0 0 49 -4,-1.1 4,-0.4 -3,-0.4 -1,-0.2 0.643 82.1 75.4 -74.0 -13.8 0.4 26.0 4.3 9 95 A I S X S+ 0 0 0 -3,-1.3 3,-0.9 -4,-0.4 4,-0.3 0.849 79.1 67.6 -72.0 -38.4 2.2 22.7 3.3 10 96 A T G > S+ 0 0 79 -3,-0.5 3,-2.7 -4,-0.3 4,-0.2 0.879 88.6 63.8 -50.6 -51.7 5.3 22.8 5.6 11 97 A A G 3 S+ 0 0 90 -4,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.829 101.3 51.0 -45.3 -42.4 3.5 22.4 9.0 12 98 A A G X S+ 0 0 0 -3,-0.9 3,-1.3 -4,-0.4 -1,-0.3 0.531 76.7 115.3 -77.6 -4.7 2.2 18.9 8.2 13 99 A Y T < S- 0 0 50 -3,-2.7 190,-0.4 -4,-0.3 191,-0.3 0.809 99.2 -9.1 -35.9 -66.4 5.6 17.7 7.1 14 100 A R T 3 S+ 0 0 69 -3,-0.4 -1,-0.3 -4,-0.2 234,-0.2 -0.150 87.5 166.9-130.1 44.0 6.1 15.1 9.9 15 101 A R < - 0 0 59 -3,-1.3 233,-0.1 1,-0.1 5,-0.1 -0.167 51.5 -71.8 -62.6 151.2 3.2 15.7 12.3 16 102 A P > - 0 0 79 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.051 38.8-130.9 -44.7 135.6 2.3 13.1 15.0 17 103 A E H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.884 107.2 55.9 -59.5 -40.3 0.8 10.0 13.6 18 104 A T H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.863 112.1 43.9 -62.1 -35.3 -2.1 10.1 16.1 19 105 A E H > S+ 0 0 103 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.919 113.8 48.3 -72.7 -48.1 -2.9 13.6 14.9 20 106 A A H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.935 115.0 44.9 -61.4 -47.8 -2.6 13.0 11.2 21 107 A V H X S+ 0 0 4 -4,-2.8 4,-2.4 369,-0.2 -1,-0.2 0.921 111.1 54.4 -63.3 -43.6 -4.8 9.8 11.4 22 108 A S H < S+ 0 0 68 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.893 108.3 48.9 -56.2 -44.1 -7.3 11.5 13.6 23 109 A M H < S+ 0 0 94 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.899 120.2 36.4 -61.4 -40.3 -7.8 14.4 11.2 24 110 A L H >X S+ 0 0 8 -4,-1.6 4,-1.0 -5,-0.2 3,-0.8 0.724 89.8 89.9 -90.5 -25.8 -8.3 12.1 8.2 25 111 A L G >< S+ 0 0 21 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.845 94.1 38.2 -47.3 -55.6 -10.2 9.1 9.5 26 112 A E G >4 S+ 0 0 108 -4,-0.5 3,-1.3 1,-0.3 -1,-0.3 0.746 107.4 65.9 -73.6 -21.9 -13.7 10.2 8.9 27 113 A Q G <4 S+ 0 0 84 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.744 99.1 54.2 -65.8 -22.6 -12.8 11.8 5.6 28 114 A A G << S+ 0 0 0 -3,-1.1 348,-0.3 -4,-1.0 -1,-0.2 0.357 84.1 131.8 -89.9 3.4 -12.0 8.3 4.4 29 115 A R < - 0 0 63 -3,-1.3 -3,-0.1 347,-0.1 -4,-0.0 -0.335 50.0-145.6 -63.5 129.4 -15.6 7.1 5.4 30 116 A L - 0 0 5 -2,-0.1 5,-0.1 2,-0.0 -1,-0.1 -0.858 25.7-118.0 -89.9 122.5 -17.6 5.2 2.9 31 117 A P > - 0 0 63 0, 0.0 4,-3.2 0, 0.0 5,-0.2 -0.293 33.0-106.7 -50.8 146.4 -21.3 6.0 3.1 32 118 A Q H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.851 120.8 47.7 -49.2 -47.2 -23.3 2.8 4.1 33 119 A P H > S+ 0 0 95 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.954 117.1 44.9 -58.0 -47.4 -24.8 2.3 0.7 34 120 A V H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.898 109.6 54.4 -61.2 -45.6 -21.3 2.8 -0.9 35 121 A A H X S+ 0 0 25 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.871 108.9 46.8 -61.0 -41.8 -19.5 0.6 1.6 36 122 A E H X S+ 0 0 60 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.903 114.9 48.0 -68.0 -40.1 -21.6 -2.4 1.0 37 123 A Q H X S+ 0 0 107 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.917 111.5 48.9 -65.4 -45.4 -21.4 -2.0 -2.7 38 124 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.896 109.8 53.0 -64.6 -38.8 -17.6 -1.5 -2.7 39 125 A H H X S+ 0 0 70 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.925 109.3 47.9 -62.2 -45.8 -17.2 -4.6 -0.5 40 126 A K H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.937 116.5 43.0 -61.8 -48.1 -19.2 -6.8 -2.9 41 127 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.941 113.0 51.8 -62.1 -48.9 -17.3 -5.6 -5.9 42 128 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.925 110.4 51.2 -53.1 -45.9 -13.9 -5.8 -4.1 43 129 A Y H X S+ 0 0 87 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.930 110.8 45.6 -57.9 -51.2 -14.7 -9.3 -3.2 44 130 A Q H X S+ 0 0 114 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.805 112.9 51.1 -68.8 -28.3 -15.6 -10.5 -6.7 45 131 A L H X S+ 0 0 5 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.918 115.6 40.7 -70.0 -45.1 -12.6 -8.8 -8.2 46 132 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.881 115.8 50.9 -72.2 -38.0 -10.2 -10.4 -5.7 47 133 A D H < S+ 0 0 62 -4,-2.8 3,-0.3 -5,-0.3 -1,-0.2 0.888 110.2 48.8 -64.8 -41.7 -12.0 -13.8 -5.9 48 134 A K H >< S+ 0 0 78 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.822 107.3 57.7 -66.2 -30.3 -11.8 -13.7 -9.7 49 135 A L H 3< S+ 0 0 57 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 100.3 57.4 -71.2 -27.8 -8.1 -12.9 -9.3 50 136 A R T 3< 0 0 48 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 -0.079 360.0 360.0 -92.8 34.5 -7.7 -16.1 -7.3 51 137 A N < 0 0 160 -3,-1.0 -1,-0.1 0, 0.0 -4,-0.0 -0.817 360.0 360.0-146.6 360.0 -9.0 -18.2 -10.2 52 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 258 A Q 0 0 127 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.4 6.4 -9.7 -18.7 54 259 A F + 0 0 48 256,-0.1 2,-0.5 1,-0.1 255,-0.1 0.414 360.0 76.8-112.7 -2.8 7.2 -6.3 -17.1 55 260 A V - 0 0 51 1,-0.1 283,-0.1 281,-0.1 3,-0.1 -0.953 58.4-163.5-115.7 123.3 8.9 -4.6 -20.1 56 261 A T - 0 0 11 281,-1.6 2,-0.3 -2,-0.5 282,-0.2 0.759 68.8 -26.9 -76.8 -27.8 6.6 -3.3 -22.9 57 262 A G B -a 338 0A 3 280,-0.6 282,-1.9 282,-0.2 -1,-0.3 -0.913 47.0-121.9 178.6 155.0 9.4 -2.9 -25.5 58 263 A E S S+ 0 0 80 -2,-0.3 2,-0.3 280,-0.2 282,-0.1 0.748 102.8 27.4 -82.9 -23.7 13.1 -2.3 -25.9 59 264 A T S > S- 0 0 75 280,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.898 86.4-113.2-130.2 162.5 12.4 0.8 -28.0 60 265 A I H > S+ 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.868 116.8 56.3 -65.8 -35.6 9.5 3.2 -28.1 61 266 A A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 109.9 45.8 -60.2 -41.9 8.5 2.0 -31.6 62 267 A E H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.850 111.6 51.4 -70.5 -35.5 8.3 -1.5 -30.3 63 268 A A H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.933 111.4 48.1 -65.1 -43.8 6.3 -0.4 -27.3 64 269 A L H >X S+ 0 0 31 -4,-2.9 3,-1.4 1,-0.2 4,-0.5 0.929 109.3 52.7 -63.1 -43.7 3.9 1.4 -29.6 65 270 A A H >< S+ 0 0 74 -4,-2.6 3,-0.6 1,-0.3 4,-0.3 0.883 110.9 48.0 -56.2 -39.7 3.6 -1.6 -31.9 66 271 A N T 3< S+ 0 0 90 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.443 95.7 76.5 -83.1 -0.8 2.7 -3.8 -28.9 67 272 A A T <> S+ 0 0 1 -3,-1.4 4,-2.4 -4,-0.4 3,-0.4 0.722 73.8 74.7 -86.2 -22.8 0.1 -1.4 -27.5 68 273 A R H 4>S+ 0 0 14 -3,-0.4 5,-2.0 -4,-0.4 3,-0.5 0.787 116.2 61.7 -89.1 -25.7 -4.8 -3.8 -25.0 71 276 A E H ><5S+ 0 0 42 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.906 98.6 58.5 -64.8 -37.6 -5.7 -0.4 -26.3 72 277 A E T 3<5S+ 0 0 170 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 102.9 55.0 -57.7 -29.4 -8.4 -2.1 -28.5 73 278 A K T < 5S- 0 0 90 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.303 131.7 -92.1 -89.2 8.0 -9.8 -3.4 -25.2 74 279 A G T < 5S+ 0 0 37 -3,-2.1 258,-0.4 1,-0.3 -3,-0.2 0.293 82.8 133.5 101.4 -10.1 -10.1 0.1 -23.7 75 280 A F < - 0 0 5 -5,-2.0 -1,-0.3 256,-0.2 2,-0.3 -0.306 38.2-155.5 -68.1 156.5 -6.7 0.4 -22.0 76 281 A R E -b 333 0A 11 256,-2.6 258,-3.5 42,-0.0 2,-0.3 -0.787 9.9-133.4-121.2 173.8 -4.5 3.5 -22.3 77 282 A Y E -b 334 0A 7 256,-0.3 43,-2.0 -2,-0.3 2,-0.4 -0.954 16.8-168.8-133.1 149.1 -0.8 3.9 -21.9 78 283 A S E -bc 335 120A 4 256,-2.9 258,-2.8 -2,-0.3 2,-0.3 -0.973 24.9-151.9-129.6 118.3 1.8 6.1 -20.3 79 284 A Y E -bc 336 121A 0 41,-2.6 43,-3.1 -2,-0.4 2,-0.4 -0.712 12.2-173.2 -97.7 139.6 5.3 5.4 -21.5 80 285 A D E -b 337 0A 1 256,-1.9 258,-2.9 -2,-0.3 2,-1.3 -0.993 23.6-139.1-130.5 128.4 8.5 6.0 -19.5 81 286 A M E -b 338 0A 23 41,-0.4 258,-0.2 -2,-0.4 43,-0.2 -0.718 39.0-158.0 -80.8 94.3 12.1 5.6 -20.8 82 287 A L + 0 0 47 -2,-1.3 2,-0.3 256,-1.1 258,-0.2 -0.266 31.5 113.5 -81.0 161.1 13.5 3.9 -17.7 83 288 A G - 0 0 21 256,-0.1 3,-0.1 261,-0.1 2,-0.1 -0.955 62.9 -39.0 165.7-173.2 17.1 3.6 -16.4 84 289 A E - 0 0 79 -2,-0.3 3,-0.1 1,-0.1 259,-0.0 -0.345 70.0 -87.0 -73.3 153.9 19.4 4.7 -13.6 85 290 A A - 0 0 54 1,-0.1 42,-0.2 -2,-0.1 2,-0.2 -0.251 54.9 -95.5 -53.3 143.4 19.3 8.2 -12.0 86 291 A A + 0 0 1 40,-2.5 45,-3.1 43,-0.2 46,-0.4 -0.481 41.5 177.9 -67.1 130.2 21.4 10.8 -13.9 87 292 A L + 0 0 88 43,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.722 66.9 27.9-100.9 -31.5 24.8 11.1 -12.3 88 293 A T S > S- 0 0 68 42,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.792 85.4-106.2-125.0 169.5 26.3 13.7 -14.7 89 294 A A H > S+ 0 0 55 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.857 121.5 56.8 -63.0 -33.6 25.0 16.4 -17.0 90 295 A A H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 104.6 50.4 -65.7 -40.4 25.6 14.1 -19.9 91 296 A D H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.960 111.4 49.3 -57.4 -53.5 23.4 11.4 -18.4 92 297 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.892 112.0 48.2 -51.0 -46.2 20.7 14.0 -17.9 93 298 A Q H X S+ 0 0 85 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.887 108.1 53.9 -66.1 -40.2 21.1 15.1 -21.5 94 299 A A H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 111.1 47.1 -58.5 -43.0 21.0 11.5 -22.8 95 300 A Y H X S+ 0 0 35 -4,-2.4 4,-2.8 32,-0.3 -2,-0.2 0.878 109.6 54.1 -63.6 -41.1 17.7 11.1 -21.0 96 301 A M H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.929 109.9 46.2 -56.2 -50.5 16.5 14.4 -22.4 97 302 A V H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 112.6 50.9 -62.0 -41.4 17.3 13.2 -25.9 98 303 A S H X S+ 0 0 42 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.903 110.9 48.0 -67.4 -38.1 15.6 9.9 -25.2 99 304 A Y H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.918 110.6 51.7 -65.8 -42.9 12.4 11.6 -23.8 100 305 A Q H X S+ 0 0 52 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.923 111.3 46.7 -59.6 -47.1 12.2 14.0 -26.9 101 306 A Q H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 111.3 52.5 -62.4 -41.9 12.4 11.1 -29.3 102 307 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.897 107.5 52.1 -60.6 -40.7 9.8 9.2 -27.3 103 308 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.884 107.8 50.6 -66.6 -40.3 7.4 12.2 -27.4 104 309 A H H X S+ 0 0 69 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 115.3 44.1 -59.4 -46.8 7.7 12.5 -31.2 105 310 A A H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 117.2 44.0 -64.4 -45.5 6.9 8.8 -31.6 106 311 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.906 113.6 51.8 -67.3 -42.9 4.1 8.8 -29.0 107 312 A G H X S+ 0 0 3 -4,-3.0 4,-1.9 -5,-0.2 5,-0.4 0.909 110.9 47.1 -59.7 -44.7 2.7 12.0 -30.5 108 313 A K H < S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 114.9 45.9 -64.4 -45.7 2.6 10.6 -34.0 109 314 A A H < S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 106.8 59.8 -65.5 -33.2 1.0 7.3 -32.8 110 315 A S H >< S- 0 0 0 -4,-2.5 3,-1.2 -5,-0.2 -1,-0.2 0.913 83.8-171.1 -61.0 -44.6 -1.4 9.3 -30.7 111 316 A N T 3< S- 0 0 136 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.871 70.0 -43.9 57.4 45.2 -2.6 11.0 -34.0 112 317 A G T 3 S+ 0 0 65 -5,-0.4 -1,-0.3 46,-0.4 3,-0.1 0.560 98.1 131.3 78.8 10.4 -4.8 13.6 -32.3 113 318 A R <> - 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