==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN 25-MAR-97 1RKM . COMPND 2 MOLECULE: OLIGO-PEPTIDE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.H.SLEIGH,J.R.H.TAME,A.J.WILKINSON . 517 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.3 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 . 2 0.4 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 . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 2 1 1 0 1 5 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 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 11 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 156.8 -14.8 36.5 -10.7 2 2 A D - 0 0 133 509,-0.4 495,-0.1 511,-0.0 511,-0.1 -0.928 360.0-152.3-108.6 104.3 -12.6 38.5 -13.2 3 3 A V - 0 0 54 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.714 20.3-118.5 -79.7 124.4 -9.6 36.2 -14.0 4 4 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.110 32.6 -98.9 -52.7 140.3 -6.5 38.2 -15.0 5 5 A A T 3 S+ 0 0 107 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.299 112.6 26.0 -48.4 134.3 -5.1 37.7 -18.5 6 6 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.322 86.9 125.0 92.5 -22.1 -2.2 35.3 -18.1 7 7 A V < - 0 0 39 -3,-2.0 2,-0.6 1,-0.0 -1,-0.3 -0.649 53.5-141.6 -76.5 136.9 -3.3 33.5 -14.9 8 8 A Q - 0 0 156 -2,-0.3 508,-4.6 508,-0.1 2,-0.3 -0.842 16.4-136.1 -96.8 124.8 -3.5 29.7 -15.2 9 9 A L B -A 515 0A 74 -2,-0.6 506,-0.3 506,-0.3 4,-0.1 -0.571 15.3-119.4 -72.1 129.9 -6.5 28.2 -13.3 10 10 A A - 0 0 9 504,-2.3 504,-0.2 -2,-0.3 506,-0.1 -0.231 21.8-125.3 -58.9 158.1 -6.1 25.0 -11.3 11 11 A D S S+ 0 0 147 1,-0.2 2,-0.9 504,-0.1 -1,-0.1 0.846 100.8 62.9 -77.3 -31.3 -8.2 22.2 -12.5 12 12 A K - 0 0 153 1,-0.1 2,-1.1 2,-0.1 -1,-0.2 -0.834 68.8-170.7 -95.7 108.9 -9.8 21.7 -9.1 13 13 A Q + 0 0 15 -2,-0.9 206,-2.5 204,-0.1 207,-1.2 -0.666 37.4 130.3 -92.1 74.0 -11.7 24.9 -8.4 14 14 A T E -b 220 0B 44 -2,-1.1 2,-0.4 204,-0.2 207,-0.2 -0.902 36.8-161.3-128.9 156.5 -12.6 24.2 -4.7 15 15 A L E -b 221 0B 1 205,-2.2 207,-2.0 -2,-0.3 2,-0.5 -0.999 8.1-157.3-143.6 145.4 -12.2 26.3 -1.6 16 16 A V E -b 222 0B 30 -2,-0.4 226,-1.8 205,-0.2 227,-1.3 -0.977 17.0-176.2-125.8 125.9 -12.1 25.8 2.1 17 17 A R E -bc 223 243B 2 205,-3.6 207,-3.3 -2,-0.5 2,-0.4 -0.958 25.3-131.2-127.7 142.0 -12.8 28.5 4.5 18 18 A N E -b 224 0B 3 225,-2.1 228,-0.1 -2,-0.4 205,-0.0 -0.679 18.1-175.0 -88.8 129.2 -12.8 28.8 8.2 19 19 A N - 0 0 2 205,-3.5 -1,-0.1 -2,-0.4 19,-0.1 0.143 33.1-130.0-110.7 16.3 -16.0 30.4 9.4 20 20 A G S S+ 0 0 12 206,-0.3 2,-0.3 204,-0.2 209,-0.1 0.321 76.4 18.2 56.3 -0.3 -15.0 30.7 13.1 21 21 A S S S- 0 0 41 203,-0.4 205,-0.2 -2,-0.1 178,-0.0 -0.955 90.6 -77.2 169.3 146.6 -18.2 29.1 14.5 22 22 A E - 0 0 78 203,-0.3 2,-0.5 -2,-0.3 14,-0.1 -0.352 46.2-122.3 -57.1 154.2 -21.2 26.9 13.7 23 23 A V - 0 0 7 1,-0.2 176,-0.2 12,-0.1 3,-0.1 -0.837 16.6-162.0-102.4 134.1 -24.0 28.6 11.9 24 24 A Q + 0 0 152 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.865 69.6 9.3 -78.4 -38.2 -27.3 28.5 13.6 25 25 A S - 0 0 23 1,-0.1 -1,-0.3 2,-0.1 7,-0.1 -0.994 39.8-161.0-145.7 150.6 -29.5 29.3 10.7 26 26 A L + 0 0 4 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.0 0.212 66.9 108.1-105.1 -2.1 -29.4 29.8 6.9 27 27 A D >> - 0 0 5 1,-0.2 3,-2.1 150,-0.1 4,-1.1 -0.700 67.6-143.5 -80.6 113.1 -32.7 31.8 6.9 28 28 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.796 100.0 56.8 -45.6 -33.8 -31.8 35.5 6.2 29 29 A H T 34 S+ 0 0 0 1,-0.2 80,-0.4 79,-0.1 81,-0.1 0.537 112.2 41.4 -81.8 -5.7 -34.5 36.6 8.6 30 30 A K T <4 S+ 0 0 82 -3,-2.1 -1,-0.2 77,-0.2 2,-0.1 0.453 85.8 106.0-119.2 -5.3 -33.0 34.6 11.4 31 31 A I < + 0 0 1 -4,-1.1 78,-0.1 -3,-0.1 -5,-0.1 -0.394 35.0 174.6 -76.1 156.7 -29.2 35.1 11.2 32 32 A E + 0 0 131 -7,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.636 47.4 36.1-134.0 -44.2 -27.4 37.3 13.6 33 33 A G S > S- 0 0 35 1,-0.0 4,-2.1 0, 0.0 3,-0.1 -0.319 84.8 -80.9-113.8-154.8 -23.6 37.4 13.3 34 34 A V H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.949 117.7 54.3 -72.1 -39.9 -20.6 37.3 11.0 35 35 A P H > S+ 0 0 21 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.838 112.1 45.0 -58.9 -39.8 -20.3 33.5 10.5 36 36 A E H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.900 111.7 52.1 -77.6 -38.0 -23.9 33.3 9.3 37 37 A S H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.756 102.9 59.9 -60.8 -30.8 -23.6 36.4 7.1 38 38 A N H X S+ 0 0 3 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.882 113.0 36.5 -63.6 -47.6 -20.6 34.9 5.4 39 39 A V H >X S+ 0 0 0 -4,-1.2 4,-1.3 -5,-0.2 3,-0.9 0.906 112.4 60.7 -70.5 -39.5 -22.6 31.9 4.2 40 40 A S H >X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.3 3,-0.7 0.882 98.1 57.4 -58.5 -40.0 -25.6 34.0 3.6 41 41 A R H 3< S+ 0 0 20 -4,-1.9 149,-0.3 1,-0.3 -1,-0.3 0.788 108.0 47.2 -66.5 -23.7 -23.8 36.2 1.0 42 42 A D H << S+ 0 0 3 -3,-0.9 149,-2.0 -4,-0.7 -1,-0.3 0.742 118.9 40.7 -84.6 -24.3 -22.9 33.1 -1.1 43 43 A L H << S+ 0 0 1 -4,-1.3 146,-2.1 -3,-0.7 145,-1.0 0.824 119.1 29.5 -91.6 -38.8 -26.4 31.7 -1.0 44 44 A F < - 0 0 3 -4,-2.6 2,-0.4 144,-0.2 -1,-0.2 -0.922 59.4-162.8-121.1 156.2 -28.8 34.8 -1.3 45 45 A E - 0 0 8 -2,-0.3 4,-0.1 121,-0.1 2,-0.1 -0.998 9.4-165.1-141.0 128.7 -28.4 38.1 -3.1 46 46 A G - 0 0 4 2,-0.5 14,-2.7 -2,-0.4 15,-0.3 -0.097 49.4 -61.2 -99.8-152.0 -30.5 41.1 -2.5 47 47 A L S S+ 0 0 1 117,-0.4 14,-2.1 12,-0.2 12,-1.7 0.854 117.4 15.1 -58.8 -40.5 -31.0 44.3 -4.4 48 48 A L E -G 58 0C 1 111,-0.7 -2,-0.5 10,-0.2 2,-0.3 -0.884 65.7-156.4-136.2 153.6 -27.4 45.5 -4.2 49 49 A I E -G 57 0C 14 8,-3.0 8,-3.0 -2,-0.3 2,-0.5 -0.810 30.1 -99.2-125.3 166.3 -24.1 43.9 -3.4 50 50 A S E -G 56 0C 4 -2,-0.3 452,-0.1 6,-0.2 458,-0.0 -0.822 36.1-147.3 -85.5 131.5 -20.7 45.3 -2.1 51 51 A D > - 0 0 54 4,-3.4 3,-2.0 -2,-0.5 455,-0.1 0.032 43.3 -73.3 -77.4-162.0 -18.1 45.8 -4.8 52 52 A V T 3 S+ 0 0 83 1,-0.3 449,-0.2 2,-0.1 447,-0.1 0.714 135.0 44.2 -65.4 -26.4 -14.3 45.4 -4.3 53 53 A E T 3 S- 0 0 90 2,-0.1 -1,-0.3 449,-0.1 449,-0.1 0.067 123.0-101.8-100.7 5.3 -14.0 48.7 -2.3 54 54 A G S < S+ 0 0 0 -3,-2.0 367,-0.2 1,-0.3 -2,-0.1 0.788 77.6 136.2 78.2 31.0 -17.1 48.0 -0.3 55 55 A H - 0 0 52 447,-0.0 -4,-3.4 1,-0.0 -1,-0.3 -0.875 62.8 -97.0-113.1 143.7 -19.4 50.2 -2.2 56 56 A P E +G 50 0C 26 0, 0.0 -6,-0.2 0, 0.0 101,-0.1 -0.396 50.9 167.5 -54.4 132.6 -22.9 49.2 -3.2 57 57 A S E -G 49 0C 27 -8,-3.0 -8,-3.0 -2,-0.1 4,-0.1 -0.876 43.4 -57.6-135.7-179.1 -23.2 47.9 -6.7 58 58 A P E +G 48 0C 55 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.109 56.2 151.5 -65.2 133.4 -25.9 46.1 -8.8 59 59 A G S S- 0 0 0 -12,-1.7 -12,-0.2 2,-0.9 -11,-0.2 0.087 82.3 -21.0-125.9-107.0 -27.1 42.8 -7.5 60 60 A V S S+ 0 0 0 -14,-2.7 17,-2.6 -2,-0.1 2,-0.4 0.833 131.7 71.5 -68.8 -37.4 -30.6 41.7 -8.3 61 61 A A E -H 76 0D 0 -14,-2.1 -2,-0.9 -15,-0.3 15,-0.3 -0.779 64.3-170.2 -77.1 127.0 -31.5 45.3 -9.0 62 62 A E E S- 0 0 101 13,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.765 72.6 -3.4 -94.0 -26.9 -29.7 46.5 -12.2 63 63 A K E -H 75 0D 113 12,-1.4 12,-3.3 2,-0.0 -1,-0.3 -0.970 64.8-175.6-155.3 163.0 -30.6 50.1 -11.6 64 64 A W E -H 74 0D 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.957 0.7-175.2-151.7 166.0 -32.5 52.2 -9.2 65 65 A E E -H 73 0D 88 8,-2.0 8,-3.1 -2,-0.3 2,-0.3 -0.937 10.9-143.0-152.4 176.0 -33.6 55.8 -8.6 66 66 A N E -H 72 0D 61 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.908 11.1-142.1-143.1 162.6 -35.3 57.9 -6.1 67 67 A K E >> S-H 71 0D 126 4,-1.8 3,-2.2 -2,-0.3 4,-1.6 -0.990 94.0 -22.9-124.9 103.7 -37.7 60.8 -5.9 68 68 A D T 34 S- 0 0 114 -2,-0.5 4,-0.1 1,-0.3 -1,-0.1 0.694 106.3 -80.2 70.3 16.3 -36.6 63.1 -3.0 69 69 A F T 34 S+ 0 0 53 2,-0.3 83,-2.0 82,-0.2 -1,-0.3 0.672 125.2 87.8 64.5 9.9 -34.8 60.2 -1.3 70 70 A K T <4 S+ 0 0 81 -3,-2.2 78,-3.9 1,-0.3 2,-0.5 0.658 82.1 43.9-114.6 -23.3 -38.2 59.2 -0.1 71 71 A V E < S-HI 67 147D 17 -4,-1.6 -4,-1.8 76,-0.2 2,-0.4 -0.978 72.5-167.8-115.7 127.4 -39.6 56.9 -2.8 72 72 A W E -HI 66 146D 4 74,-3.4 74,-2.9 -2,-0.5 2,-0.5 -0.958 4.7-165.4-118.8 141.4 -37.1 54.4 -4.2 73 73 A T E -HI 65 145D 20 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.4 -0.964 1.3-166.3-131.3 120.7 -37.5 52.4 -7.3 74 74 A F E -HI 64 144D 0 70,-2.8 70,-2.4 -2,-0.5 2,-0.6 -0.941 10.9-149.5-111.8 133.4 -35.4 49.4 -8.2 75 75 A H E -HI 63 143D 49 -12,-3.3 -13,-2.9 -2,-0.4 -12,-1.4 -0.942 19.7-146.1-100.6 111.3 -35.4 47.9 -11.7 76 76 A L E -H 61 0D 4 66,-3.4 -15,-0.3 -2,-0.6 2,-0.1 -0.626 18.6-111.6 -87.8 141.1 -34.8 44.1 -11.3 77 77 A R > - 0 0 29 -17,-2.6 3,-1.0 -2,-0.3 11,-0.1 -0.396 21.7-132.5 -66.9 154.6 -32.8 42.4 -14.0 78 78 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.1 10,-0.0 0.695 98.6 56.1 -84.1 -25.6 -34.9 40.0 -16.0 79 79 A N T 3 S+ 0 0 81 8,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.257 72.7 121.6 -95.7 15.6 -32.6 37.0 -15.9 80 80 A A < + 0 0 3 -3,-1.0 8,-2.5 8,-0.2 2,-0.3 -0.642 42.6 176.4 -79.2 131.4 -32.3 36.7 -12.1 81 81 A K B -K 87 0E 60 -2,-0.4 130,-0.2 128,-0.4 2,-0.1 -0.946 33.5-121.1-137.0 153.9 -33.4 33.3 -11.0 82 82 A W > - 0 0 5 4,-3.1 3,-2.0 -2,-0.3 106,-0.2 -0.469 46.0-100.9 -80.6 163.7 -33.8 31.0 -8.1 83 83 A S T 3 S+ 0 0 22 104,-2.0 126,-0.1 1,-0.3 105,-0.1 0.549 123.4 64.4 -74.3 -5.6 -31.9 27.7 -8.2 84 84 A D T 3 S- 0 0 83 2,-0.1 -1,-0.3 103,-0.1 102,-0.0 0.111 121.9-109.4 -90.4 -0.1 -35.2 25.9 -9.1 85 85 A G S < S+ 0 0 32 -3,-2.0 -2,-0.2 1,-0.3 0, 0.0 0.503 77.2 132.7 98.6 1.5 -35.0 28.1 -12.3 86 86 A T - 0 0 60 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.575 63.2 -95.3 -87.1 156.8 -38.0 30.3 -11.3 87 87 A P B -K 81 0E 74 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.502 22.5-129.1 -69.3 140.6 -37.6 34.1 -11.7 88 88 A V - 0 0 1 -8,-2.5 2,-0.3 -2,-0.2 -8,-0.2 -0.782 43.2-179.1 -75.1 122.8 -36.6 36.3 -8.8 89 89 A T >> - 0 0 15 -2,-0.5 3,-1.3 1,-0.0 4,-1.0 -0.770 46.4-104.0-117.7-178.4 -39.4 39.0 -8.9 90 90 A A H 3> S+ 0 0 0 51,-2.0 4,-2.0 1,-0.3 5,-0.1 0.725 119.4 67.9 -66.1 -28.3 -40.3 42.1 -7.0 91 91 A H H 3> S+ 0 0 76 50,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.829 93.6 55.9 -62.7 -34.8 -43.0 39.9 -5.4 92 92 A D H <> S+ 0 0 12 -3,-1.3 4,-2.5 1,-0.2 75,-0.5 0.874 110.0 45.9 -67.5 -32.8 -40.2 38.0 -3.7 93 93 A F H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 5,-0.2 0.765 109.9 52.7 -79.1 -31.9 -39.0 41.3 -2.2 94 94 A V H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.986 114.9 42.6 -66.4 -44.2 -42.4 42.4 -1.1 95 95 A Y H X S+ 0 0 39 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.933 114.4 50.5 -58.5 -57.4 -43.0 39.1 0.7 96 96 A S H X S+ 0 0 0 -4,-2.5 4,-3.2 71,-0.2 -1,-0.2 0.913 110.4 46.4 -53.3 -50.6 -39.5 39.0 2.2 97 97 A W H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.876 112.2 52.3 -75.0 -22.4 -39.4 42.4 3.7 98 98 A Q H X S+ 0 0 33 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.908 110.0 48.4 -73.2 -39.6 -42.9 41.9 5.1 99 99 A R H < S+ 0 0 33 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.961 109.5 53.0 -67.8 -28.2 -41.7 38.7 6.7 100 100 A L H < S+ 0 0 0 -4,-3.2 7,-0.4 1,-0.3 -1,-0.2 0.890 112.6 45.3 -69.5 -37.0 -38.7 40.5 8.1 101 101 A A H < S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.751 85.5 104.4 -73.2 -41.4 -40.9 43.2 9.6 102 102 A D >X - 0 0 51 -4,-1.9 3,-2.8 -3,-0.3 4,-0.9 -0.366 67.7-141.2 -48.0 122.5 -43.6 40.9 11.2 103 103 A P G >4 S+ 0 0 59 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.877 100.6 64.5 -54.9 -36.9 -43.1 40.6 15.0 104 104 A N G 34 S+ 0 0 149 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.649 95.2 56.9 -63.1 -12.7 -44.1 36.9 14.7 105 105 A T G <4 S- 0 0 16 -3,-2.8 -1,-0.3 -6,-0.2 -5,-0.1 0.733 91.3-157.4 -86.8 -24.4 -40.9 36.3 12.6 106 106 A A << - 0 0 80 -3,-1.1 -2,-0.1 -4,-0.9 -5,-0.1 0.893 16.9-173.0 55.9 45.1 -38.9 37.7 15.5 107 107 A S > - 0 0 10 -5,-0.4 3,-2.2 -7,-0.4 4,-0.3 -0.517 31.3-137.5 -74.2 135.4 -36.0 38.5 13.3 108 108 A P T 3 S+ 0 0 54 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.719 107.4 46.8 -52.9 -30.7 -32.9 39.7 15.1 109 109 A Y T >> S+ 0 0 36 -80,-0.4 3,-1.5 1,-0.1 4,-0.6 0.168 70.7 112.5-104.7 22.6 -32.7 42.3 12.2 110 110 A A T X4 S+ 0 0 20 -3,-2.2 3,-0.7 1,-0.2 4,-0.3 0.817 77.1 59.8 -57.0 -29.9 -36.3 43.5 12.1 111 111 A S T >> S+ 0 0 44 -4,-0.3 4,-1.4 1,-0.2 3,-0.9 0.710 83.2 80.3 -71.4 -19.2 -34.9 46.9 13.3 112 112 A Y H X> S+ 0 0 5 -3,-1.5 3,-0.8 1,-0.3 4,-0.7 0.942 89.8 54.0 -64.7 -27.6 -32.8 47.2 10.3 113 113 A L H S+ 0 0 5 -3,-0.7 5,-1.3 -4,-0.6 4,-0.8 0.682 99.6 60.5 -76.2 -24.6 -35.8 48.4 8.4 114 114 A Q H X45S+ 0 0 57 -3,-0.9 3,-0.5 -4,-0.3 -1,-0.3 0.875 98.0 58.7 -65.2 -28.9 -36.4 51.1 11.0 115 115 A Y H <<5S+ 0 0 51 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.807 108.0 47.7 -66.3 -26.1 -32.9 52.4 10.1 116 116 A G H 3<5S- 0 0 1 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.643 104.2-133.6 -90.1 -18.2 -34.3 52.8 6.6 117 117 A H T <<5 - 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