==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 14-JUL-99 1QKB . COMPND 2 MOLECULE: PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,S.H.SLEIGH,A.J.WILKINSON . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.2 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 3 1 1 2 0 2 3 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 2 1 0 0 1 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 1 0 1 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 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 1 A A 0 0 14 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 146.0 2.2 7.6 -8.1 2 2 A D - 0 0 130 509,-0.5 511,-0.1 511,-0.0 495,-0.0 -0.957 360.0-156.8-114.2 94.0 1.4 4.0 -9.0 3 3 A V - 0 0 52 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.740 21.9-119.0 -76.8 117.7 -1.9 4.1 -10.9 4 4 A P > - 0 0 65 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.215 37.0 -90.3 -55.4 143.3 -3.7 0.8 -10.7 5 5 A A T 3 S+ 0 0 106 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.307 112.4 19.6 -53.0 136.9 -4.4 -1.0 -14.0 6 6 A G T 3 S+ 0 0 84 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.395 84.9 130.9 82.6 -4.5 -7.8 -0.0 -15.3 7 7 A V < - 0 0 41 -3,-2.1 2,-0.6 508,-0.0 -1,-0.3 -0.734 53.9-136.0 -84.0 140.0 -8.3 3.2 -13.4 8 8 A Q - 0 0 137 -2,-0.4 508,-2.8 508,-0.1 2,-0.2 -0.837 19.0-138.4 -92.3 122.8 -9.3 6.0 -15.7 9 9 A L B -A 515 0A 67 -2,-0.6 506,-0.2 506,-0.3 4,-0.1 -0.537 17.2-112.0 -82.5 148.6 -7.4 9.2 -15.0 10 10 A A - 0 0 16 504,-2.8 504,-0.2 -2,-0.2 506,-0.1 -0.384 22.2-126.3 -67.9 150.5 -9.1 12.6 -15.0 11 11 A D S S+ 0 0 158 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.933 101.4 55.5 -63.2 -45.4 -8.0 14.9 -17.8 12 12 A K S S- 0 0 144 2,-0.1 2,-1.1 206,-0.0 -1,-0.2 -0.845 71.9-164.6 -94.4 114.1 -7.1 17.6 -15.3 13 13 A Q + 0 0 12 -2,-0.6 206,-2.7 204,-0.1 207,-1.1 -0.696 38.6 131.9-103.4 76.5 -4.7 16.4 -12.7 14 14 A T E -b 220 0B 32 -2,-1.1 2,-0.4 205,-0.2 207,-0.2 -0.941 34.6-163.0-129.0 151.6 -5.0 19.1 -10.0 15 15 A L E -b 221 0B 1 205,-2.0 207,-2.4 -2,-0.3 2,-0.5 -0.991 8.8-159.4-137.3 141.3 -5.5 18.9 -6.3 16 16 A V E -b 222 0B 29 -2,-0.4 226,-2.0 205,-0.2 227,-1.4 -0.996 17.3-179.7-123.8 119.9 -6.6 21.3 -3.6 17 17 A R E -bc 223 243B 0 205,-3.3 207,-2.3 -2,-0.5 2,-0.3 -0.974 25.1-133.3-117.9 138.7 -5.7 20.5 -0.0 18 18 A N E -b 224 0B 1 225,-2.5 228,-0.1 -2,-0.4 209,-0.0 -0.679 16.9-168.5 -85.5 145.5 -6.5 22.4 3.1 19 19 A N - 0 0 2 205,-2.8 2,-0.8 -2,-0.3 19,-0.1 0.170 34.0-119.8-123.2 14.5 -3.3 22.8 5.3 20 20 A G S S+ 0 0 9 206,-0.4 2,-0.3 204,-0.1 377,-0.1 -0.020 78.3 1.4 79.0 -32.6 -4.8 24.1 8.5 21 21 A S S S- 0 0 13 -2,-0.8 2,-0.3 203,-0.3 205,-0.2 -0.968 90.0 -68.6-169.9 172.2 -2.9 27.4 8.8 22 22 A E - 0 0 30 203,-0.3 376,-0.3 -2,-0.3 14,-0.1 -0.616 63.7-108.9 -72.8 132.1 -0.4 29.7 7.1 23 23 A V - 0 0 4 -2,-0.3 3,-0.1 12,-0.1 -1,-0.1 -0.225 9.3-131.5 -65.4 153.4 3.0 28.1 7.2 24 24 A Q S S- 0 0 13 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.892 80.9 -39.4 -62.1 -45.7 5.7 29.4 9.5 25 25 A S - 0 0 22 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.962 38.7-124.7-168.5 170.2 8.1 29.2 6.5 26 26 A L S S+ 0 0 7 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.313 80.2 106.4-109.7 1.6 9.1 27.2 3.5 27 27 A D > - 0 0 7 1,-0.1 3,-2.7 3,-0.1 4,-0.2 -0.714 69.6-143.2 -82.7 119.2 12.7 27.0 4.7 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.692 98.8 53.3 -55.1 -25.8 13.3 23.5 5.9 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.476 106.6 51.9 -90.7 -0.2 15.5 24.7 8.8 30 30 A K S < S+ 0 0 77 -3,-2.7 2,-0.3 77,-0.2 -1,-0.2 0.161 95.1 85.8-116.5 13.7 12.9 27.2 10.1 31 31 A I + 0 0 4 -3,-0.4 78,-0.1 -4,-0.2 132,-0.1 -0.848 31.9 162.3-119.7 155.4 9.9 24.9 10.4 32 32 A E + 0 0 7 -2,-0.3 488,-2.8 488,-0.1 2,-0.2 0.415 50.5 84.5-144.4 -0.6 8.5 22.6 13.1 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.5 1,-0.1 488,-0.2 -0.529 77.1-108.6-112.7 175.2 4.9 21.8 12.4 34 34 A V H > S+ 0 0 5 486,-2.6 4,-2.5 2,-0.2 5,-0.2 0.939 115.8 50.0 -62.1 -47.8 2.5 19.6 10.4 35 35 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.914 113.5 47.4 -60.5 -40.5 1.3 22.3 7.9 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 113.2 47.5 -64.4 -46.2 4.9 23.3 7.2 37 37 A S H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.822 104.0 62.5 -67.3 -30.8 6.0 19.7 6.8 38 38 A N H X S+ 0 0 2 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.908 112.3 35.6 -59.3 -47.3 3.1 19.0 4.5 39 39 A V H >X S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.2 4,-1.2 0.906 112.7 61.4 -72.4 -40.5 4.3 21.5 2.0 40 40 A S H >X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.3 3,-0.6 0.861 96.6 58.7 -56.5 -39.5 8.0 20.7 2.7 41 41 A R H 3< S+ 0 0 13 -4,-2.3 149,-0.4 1,-0.3 -1,-0.3 0.801 105.9 49.4 -64.4 -28.5 7.6 17.0 1.5 42 42 A D H << S+ 0 0 2 -3,-1.3 149,-2.2 -4,-0.5 -1,-0.3 0.719 121.9 32.8 -78.3 -25.4 6.4 18.2 -2.0 43 43 A L H << S+ 0 0 1 -4,-1.2 146,-2.6 -3,-0.6 145,-1.1 0.733 116.2 40.8-100.5 -36.7 9.3 20.6 -2.4 44 44 A F < - 0 0 5 -4,-2.9 2,-0.5 144,-0.2 -1,-0.2 -0.991 62.2-161.8-124.0 129.5 12.5 19.3 -0.7 45 45 A E - 0 0 7 -2,-0.5 4,-0.1 -3,-0.1 115,-0.1 -0.932 7.4-165.0-116.3 128.6 13.6 15.7 -0.7 46 46 A G - 0 0 4 -2,-0.5 14,-3.1 2,-0.4 15,-0.3 0.069 47.0 -69.7 -90.5-160.5 16.1 14.3 1.8 47 47 A L S S+ 0 0 0 117,-0.4 12,-2.0 112,-0.4 14,-1.9 0.927 118.2 15.5 -61.3 -45.9 18.2 11.1 1.8 48 48 A L E -N 58 0D 1 111,-0.7 -2,-0.4 10,-0.2 2,-0.3 -0.840 68.2-163.7-124.5 160.3 15.1 8.9 2.4 49 49 A I E -N 57 0D 12 8,-2.5 8,-2.7 -2,-0.3 2,-0.3 -0.880 30.5-100.7-133.2 167.9 11.4 9.4 2.0 50 50 A S E -N 56 0D 3 -2,-0.3 5,-0.1 6,-0.2 452,-0.0 -0.740 34.5-133.6 -84.8 143.7 8.3 7.5 3.2 51 51 A D > - 0 0 51 4,-2.3 3,-1.7 -2,-0.3 455,-0.1 -0.202 44.7 -79.0 -79.3-170.1 6.6 5.3 0.7 52 52 A V T 3 S+ 0 0 56 1,-0.3 447,-0.4 2,-0.1 449,-0.3 0.652 135.6 45.9 -67.8 -12.0 2.8 5.4 0.4 53 53 A E T 3 S- 0 0 87 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.307 123.6-101.6-107.7 1.6 2.5 3.2 3.5 54 54 A G S < S+ 0 0 17 -3,-1.7 -2,-0.1 1,-0.3 3,-0.0 0.451 71.1 145.7 97.2 -1.4 5.0 5.2 5.6 55 55 A H - 0 0 96 -5,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.540 59.5-107.2 -72.0 136.6 8.0 2.8 5.3 56 56 A P E +N 50 0D 47 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.374 56.3 166.1 -60.0 133.1 11.4 4.6 5.1 57 57 A S E -N 49 0D 23 -8,-2.7 -8,-2.5 -3,-0.0 4,-0.1 -0.924 41.0 -57.1-149.8 167.9 12.5 4.2 1.5 58 58 A P E +N 48 0D 57 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.253 53.6 159.0 -57.7 131.8 15.0 5.6 -1.0 59 59 A G S S- 0 0 0 -12,-2.0 -12,-0.2 2,-0.9 -11,-0.2 0.211 79.9 -24.3-115.9-116.9 14.9 9.4 -1.5 60 60 A V S S+ 0 0 0 -14,-3.1 17,-2.8 -12,-0.1 2,-0.5 0.877 133.6 72.8 -68.0 -33.5 18.0 11.1 -2.9 61 61 A A E -O 76 0E 0 -14,-1.9 -2,-0.9 -15,-0.3 15,-0.3 -0.689 63.7-172.6 -78.9 122.0 19.9 8.2 -1.5 62 62 A E E S+ 0 0 86 13,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.749 72.3 2.7 -83.9 -27.6 19.3 5.1 -3.7 63 63 A K E -O 75 0E 118 12,-1.2 12,-3.2 2,-0.0 2,-0.3 -0.974 66.2-175.5-153.7 157.4 21.2 2.8 -1.3 64 64 A W E -O 74 0E 67 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.992 6.3-163.7-153.5 157.0 23.0 3.0 2.1 65 65 A E E -O 73 0E 92 8,-2.0 8,-2.8 -2,-0.3 2,-0.4 -0.925 9.4-147.0-136.1 166.1 25.0 0.9 4.5 66 66 A N E -O 72 0E 67 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.992 7.1-147.5-137.2 146.3 26.1 1.2 8.1 67 67 A K E >> S-O 71 0E 125 4,-2.3 3,-2.5 -2,-0.4 4,-2.1 -0.967 88.1 -27.5-111.8 111.6 29.1 0.2 10.1 68 68 A D T 34 S- 0 0 118 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.686 107.9 -76.3 56.9 24.5 28.2 -0.7 13.7 69 69 A F T 34 S+ 0 0 89 2,-0.2 83,-2.2 82,-0.2 -1,-0.3 0.654 127.4 86.7 61.8 19.7 25.2 1.6 13.5 70 70 A K T <4 S+ 0 0 80 -3,-2.5 78,-3.2 1,-0.3 2,-0.6 0.740 80.5 46.0-120.0 -34.9 27.7 4.5 13.9 71 71 A V E < S-OP 67 147E 19 -4,-2.1 -4,-2.3 76,-0.2 2,-0.5 -0.962 70.1-168.7-116.5 118.9 29.0 5.3 10.4 72 72 A W E -OP 66 146E 5 74,-3.0 74,-3.2 -2,-0.6 2,-0.5 -0.899 3.2-163.1-109.7 126.1 26.2 5.6 7.8 73 73 A T E -OP 65 145E 26 -8,-2.8 -8,-2.0 -2,-0.5 2,-0.5 -0.932 3.2-164.0-115.9 118.4 27.1 5.8 4.1 74 74 A F E -OP 64 144E 0 70,-3.0 70,-2.5 -2,-0.5 2,-0.8 -0.906 9.3-151.4-107.9 122.1 24.5 7.1 1.6 75 75 A H E -OP 63 143E 51 -12,-3.2 -13,-2.5 -2,-0.5 -12,-1.2 -0.852 19.7-146.6 -91.5 106.4 24.9 6.5 -2.1 76 76 A L E -O 61 0E 3 66,-2.9 -15,-0.3 -2,-0.8 -16,-0.1 -0.548 21.2-107.6 -79.8 133.7 23.1 9.3 -3.9 77 77 A R > - 0 0 22 -17,-2.8 3,-1.4 -2,-0.3 11,-0.2 -0.234 23.8-129.4 -59.4 140.6 21.4 8.6 -7.2 78 78 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -3,-0.1 10,-0.1 0.805 102.4 50.6 -62.5 -29.5 23.3 10.1 -10.1 79 79 A N T 3 S+ 0 0 81 8,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.255 71.8 126.9 -98.4 16.8 20.3 11.8 -11.6 80 80 A A < + 0 0 2 -3,-1.4 8,-2.3 8,-0.2 2,-0.3 -0.512 39.8 175.0 -71.1 124.3 18.9 13.7 -8.5 81 81 A K B -R 87 0F 85 128,-0.3 130,-0.2 6,-0.3 2,-0.1 -0.981 31.6-120.7-133.4 158.0 18.6 17.3 -9.6 82 82 A W > - 0 0 5 4,-3.1 3,-1.9 -2,-0.3 106,-0.2 -0.407 44.8 -96.8 -82.9 169.8 17.3 20.6 -8.3 83 83 A S T 3 S+ 0 0 24 104,-2.1 105,-0.1 1,-0.3 126,-0.1 0.655 124.1 60.2 -68.5 -15.6 14.5 22.5 -10.2 84 84 A D T 3 S- 0 0 85 103,-0.1 -1,-0.3 2,-0.1 104,-0.1 0.238 122.0-106.1 -92.8 10.6 17.1 24.7 -12.0 85 85 A G S < S+ 0 0 28 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.284 77.9 131.2 85.4 -8.5 18.6 21.5 -13.5 86 86 A T - 0 0 64 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.396 63.6 -97.3 -78.4 152.9 21.7 21.4 -11.3 87 87 A P B -R 81 0F 75 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.414 23.4-129.8 -69.8 142.9 22.7 18.1 -9.6 88 88 A V - 0 0 1 -8,-2.3 2,-0.3 -11,-0.2 -8,-0.2 -0.822 41.4-179.1 -84.9 127.2 21.8 17.4 -6.0 89 89 A T >> - 0 0 20 -2,-0.5 4,-1.0 1,-0.1 3,-0.7 -0.813 45.6-103.4-123.2 177.3 25.2 16.3 -4.5 90 90 A A H 3> S+ 0 0 0 51,-2.2 4,-2.4 50,-0.3 5,-0.1 0.806 118.9 66.2 -70.8 -22.4 26.5 15.2 -1.1 91 91 A H H 3> S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.850 95.7 56.5 -64.1 -35.5 28.0 18.7 -0.7 92 92 A D H <> S+ 0 0 26 -3,-0.7 4,-2.4 2,-0.2 75,-0.5 0.912 108.5 46.7 -59.7 -44.1 24.4 20.0 -0.6 93 93 A F H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.874 110.6 52.7 -65.3 -40.5 23.8 17.6 2.4 94 94 A V H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.960 113.5 42.5 -60.8 -51.8 27.0 18.7 4.1 95 95 A Y H X S+ 0 0 37 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.916 115.8 50.2 -59.1 -47.6 26.1 22.4 3.9 96 96 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.933 110.3 46.2 -62.6 -45.9 22.5 21.8 4.9 97 97 A W H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.904 113.5 51.4 -66.4 -32.9 23.2 19.7 7.9 98 98 A Q H X S+ 0 0 35 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.907 109.5 49.6 -66.5 -38.9 25.8 22.2 9.0 99 99 A R H < S+ 0 0 35 -4,-2.2 6,-0.3 1,-0.2 8,-0.2 0.919 109.6 51.9 -67.4 -38.4 23.3 25.1 8.6 100 100 A L H < S+ 0 0 0 -4,-2.9 7,-0.4 1,-0.2 -1,-0.2 0.893 113.3 44.6 -60.5 -42.1 20.8 23.1 10.6 101 101 A A H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.788 89.3 103.0 -71.8 -32.7 23.4 22.7 13.4 102 102 A D >X - 0 0 52 -4,-2.0 3,-2.0 1,-0.2 4,-0.6 -0.402 67.2-144.7 -61.0 122.4 24.6 26.3 13.4 103 103 A P G >4 S+ 0 0 58 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.805 97.0 67.8 -58.0 -30.6 23.2 28.3 16.3 104 104 A N G 34 S+ 0 0 147 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.793 95.5 56.1 -61.7 -24.8 23.0 31.4 14.1 105 105 A T G <4 S- 0 0 11 -3,-2.0 -1,-0.3 -6,-0.3 -5,-0.1 0.723 91.1-157.1 -76.6 -24.7 20.2 29.6 12.0 106 106 A A << - 0 0 78 -3,-1.1 -2,-0.1 -4,-0.6 -6,-0.1 0.864 18.2-176.2 50.1 45.9 18.2 29.2 15.3 107 107 A S > - 0 0 8 -5,-0.4 3,-1.8 -7,-0.4 4,-0.3 -0.508 32.5-139.0 -71.6 141.5 16.3 26.2 13.9 108 108 A P T 3 S+ 0 0 19 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.695 108.1 51.2 -66.2 -20.7 13.6 24.8 16.1 109 109 A Y T > + 0 0 0 -80,-0.4 3,-1.9 1,-0.1 4,-0.4 0.134 69.3 115.1-107.3 25.4 14.9 21.5 14.9 110 110 A A T X S+ 0 0 15 -3,-1.8 3,-1.6 1,-0.3 4,-0.4 0.917 74.7 60.4 -55.1 -37.8 18.6 22.0 15.6 111 111 A S T 3> S+ 0 0 2 1,-0.3 4,-2.5 -4,-0.3 3,-0.5 0.597 78.2 86.0 -70.0 -6.9 18.3 19.2 18.2 112 112 A Y H <> S+ 0 0 2 -3,-1.9 4,-1.4 1,-0.3 -1,-0.3 0.852 89.0 53.5 -60.1 -33.5 17.2 16.7 15.5 113 113 A L H <4>S+ 0 0 1 -3,-1.6 5,-2.3 -4,-0.4 4,-0.4 0.768 107.1 50.6 -73.3 -25.2 21.0 16.2 15.0 114 114 A Q H >45S+ 0 0 14 -3,-0.5 3,-0.5 -4,-0.4 -2,-0.2 0.886 105.8 55.9 -72.0 -42.0 21.3 15.5 18.7 115 115 A Y H 3<5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.847 114.0 39.7 -59.8 -35.5 18.4 12.9 18.4 116 116 A G T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.524 109.3-131.5 -88.8 -7.2 20.5 11.2 15.7 117 117 A H T < 5 - 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