==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-09 3IHK . COMPND 2 MOLECULE: THIAMIN PYROPHOSPHOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR A.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,S.VOROBIEV,M.MAO,R.XIAO, . 622 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 17.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 0 0 0 1 6 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 5 4 3 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 . 5 2 6 2 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 1 2 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 2 A T 0 0 117 0, 0.0 89,-1.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 1.2 35.6 7.2 9.8 2 3 A K E -a 90 0A 51 87,-0.1 17,-1.6 2,-0.0 18,-1.4 -0.926 360.0-166.7-110.1 114.2 33.4 10.3 9.2 3 4 A V E -ab 91 20A 1 87,-2.2 89,-1.1 -2,-0.6 2,-0.4 -0.716 1.8-161.8 -97.3 149.6 32.7 11.2 5.6 4 5 A A E -ab 92 21A 0 16,-1.7 18,-3.1 -2,-0.3 2,-0.5 -0.993 2.6-157.6-134.6 127.0 31.2 14.6 4.4 5 6 A L E -ab 93 22A 0 87,-2.5 89,-3.3 -2,-0.4 2,-0.9 -0.915 4.3-157.3-109.4 127.9 29.5 15.2 1.1 6 7 A F E -ab 94 23A 0 16,-2.8 18,-1.3 -2,-0.5 21,-0.2 -0.779 22.8-165.7-103.9 87.9 29.3 18.8 -0.3 7 8 A S - 0 0 10 87,-2.3 4,-0.1 -2,-0.9 89,-0.1 0.133 35.8 -95.3 -62.6-178.5 26.4 18.6 -2.7 8 9 A G S S+ 0 0 36 18,-0.1 87,-0.1 2,-0.1 88,-0.1 0.276 93.0 100.8 -86.1 11.5 25.5 21.1 -5.4 9 10 A G S S- 0 0 18 86,-1.5 2,-1.0 85,-0.3 89,-0.2 0.134 94.3 -62.6 -77.5-159.7 23.0 22.8 -3.1 10 11 A D - 0 0 114 87,-1.0 2,-1.7 1,-0.1 85,-0.3 -0.786 45.7-163.7 -96.7 102.8 23.5 26.0 -1.2 11 12 A L + 0 0 21 -2,-1.0 -1,-0.1 1,-0.2 3,-0.1 -0.461 39.1 139.0 -82.3 66.8 26.4 25.4 1.3 12 13 A T S S+ 0 0 125 -2,-1.7 2,-0.3 1,-0.1 -1,-0.2 0.533 74.9 42.4 -84.3 -6.2 25.8 28.4 3.6 13 14 A Y + 0 0 57 -3,-0.3 2,-0.3 113,-0.1 82,-0.2 -0.999 69.5 138.0-141.8 139.6 26.5 25.9 6.4 14 15 A F - 0 0 44 -2,-0.3 2,-0.3 80,-0.1 113,-0.0 -0.964 34.3-129.9-173.0 160.4 29.1 23.1 6.8 15 16 A T - 0 0 50 -2,-0.3 79,-0.0 1,-0.1 3,-0.0 -0.819 2.1-155.0-119.5 160.3 31.6 21.5 9.2 16 17 A R + 0 0 137 -2,-0.3 2,-2.7 1,-0.1 -1,-0.1 0.610 64.9 102.5-109.4 -16.4 35.3 20.7 8.8 17 18 A D + 0 0 120 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.342 57.3 119.7 -71.3 67.7 35.7 17.9 11.4 18 19 A F - 0 0 27 -2,-2.7 -15,-0.2 1,-0.1 3,-0.1 -0.985 58.1-147.6-137.9 147.5 35.7 15.0 8.8 19 20 A D S S+ 0 0 117 -17,-1.6 2,-0.4 -2,-0.3 -16,-0.2 0.957 89.7 28.6 -71.1 -55.9 38.1 12.2 7.7 20 21 A Y E -b 3 0A 53 -18,-1.4 -16,-1.7 18,-0.0 2,-0.5 -0.878 69.4-154.5-113.1 141.8 37.1 12.1 4.1 21 22 A F E -b 4 0A 7 -2,-0.4 19,-1.2 -18,-0.2 18,-1.0 -0.961 10.5-174.0-120.5 117.7 35.7 14.9 1.9 22 23 A V E -bc 5 40A 0 -18,-3.1 -16,-2.8 -2,-0.5 2,-0.5 -0.886 4.7-163.2-110.3 138.4 33.5 14.2 -1.1 23 24 A G E -bc 6 41A 0 17,-2.8 19,-2.3 -2,-0.4 2,-0.5 -0.966 7.1-152.7-128.8 120.7 32.3 16.9 -3.5 24 25 A I E > - c 0 42A 4 -18,-1.3 3,-3.4 -2,-0.5 4,-0.2 -0.768 59.0 -60.7 -91.2 129.6 29.4 16.6 -6.0 25 26 A D T >> S+ 0 0 4 17,-2.2 3,-1.1 -2,-0.5 4,-0.7 -0.029 135.6 16.5 37.5-107.9 29.7 18.8 -9.1 26 27 A K H 3> S+ 0 0 96 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.804 118.9 69.9 -61.3 -30.0 29.8 22.4 -7.7 27 28 A G H <> S+ 0 0 0 -3,-3.4 4,-3.1 1,-0.2 -1,-0.3 0.861 91.8 60.1 -56.1 -36.6 30.6 21.1 -4.3 28 29 A S H <> S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.2 -1,-0.2 0.907 108.1 43.3 -57.1 -43.8 34.0 20.1 -5.6 29 30 A S H X S+ 0 0 7 -4,-0.7 4,-2.5 -3,-0.5 -1,-0.2 0.872 112.6 53.9 -71.3 -35.3 34.7 23.7 -6.4 30 31 A F H X S+ 0 0 44 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.948 104.7 53.9 -63.0 -50.8 33.2 24.9 -3.1 31 32 A L H ><>S+ 0 0 0 -4,-3.1 5,-1.9 1,-0.2 3,-1.3 0.926 112.9 42.2 -49.2 -53.3 35.5 22.6 -1.1 32 33 A L H ><5S+ 0 0 38 -4,-1.6 3,-2.3 1,-0.3 -1,-0.2 0.957 108.5 58.8 -60.3 -51.0 38.6 24.0 -2.8 33 34 A K H 3<5S+ 0 0 142 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.581 106.5 51.6 -57.2 -8.3 37.4 27.6 -2.6 34 35 A N T <<5S- 0 0 48 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 -0.020 118.9-105.6-118.8 26.9 37.2 27.1 1.2 35 36 A Q T < 5S+ 0 0 186 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.883 77.5 140.2 51.0 42.0 40.7 25.8 1.8 36 37 A L < - 0 0 18 -5,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.867 57.7 -95.9-119.4 151.0 39.2 22.3 2.3 37 38 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.262 24.3-160.9 -61.0 145.1 40.3 18.9 1.2 38 39 A L + 0 0 7 21,-0.3 23,-2.3 1,-0.1 24,-0.4 -0.724 24.1 159.4-128.7 80.1 39.0 17.3 -2.0 39 40 A D S S+ 0 0 27 -18,-1.0 2,-0.3 -2,-0.4 -17,-0.2 0.744 74.4 18.7 -73.5 -23.2 39.6 13.6 -1.6 40 41 A L E -c 22 0A 6 -19,-1.2 -17,-2.8 21,-0.1 2,-0.6 -0.924 57.9-170.5-155.0 123.8 36.9 12.9 -4.2 41 42 A A E +cd 23 63A 0 21,-2.3 23,-2.7 -2,-0.3 2,-0.3 -0.963 25.9 170.3-112.3 116.1 35.2 15.0 -6.9 42 43 A I E +cd 24 64A 0 -19,-2.3 -17,-2.2 -2,-0.6 2,-0.2 -0.913 22.4 62.6-131.1 157.8 32.3 13.1 -8.5 43 44 A G E S- d 0 65A 1 21,-1.1 23,-1.7 -2,-0.3 25,-0.1 -0.766 88.0 -71.3 127.2-173.6 29.4 13.9 -10.8 44 45 A D - 0 0 23 -2,-0.2 -1,-0.1 21,-0.2 24,-0.1 0.532 52.7-143.3 -96.1 -8.6 28.9 15.0 -14.4 45 46 A F > + 0 0 11 -3,-0.2 3,-1.2 1,-0.2 8,-0.1 0.721 55.3 138.3 53.5 26.8 30.2 18.5 -13.6 46 47 A D T 3 + 0 0 121 1,-0.3 -1,-0.2 22,-0.0 -3,-0.0 0.417 66.9 64.2 -77.6 2.4 27.7 20.0 -16.0 47 48 A S T 3 S+ 0 0 46 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.092 95.1 68.9-111.7 19.5 27.2 22.6 -13.3 48 49 A V S < S- 0 0 22 -3,-1.2 -23,-0.0 -19,-0.0 -22,-0.0 -0.999 79.4-111.4-143.0 145.2 30.8 24.0 -13.4 49 50 A S > - 0 0 46 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.227 30.1-115.1 -69.6 159.2 32.8 26.0 -15.9 50 51 A A H > S+ 0 0 86 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.805 119.6 58.7 -63.5 -26.9 35.8 24.6 -17.7 51 52 A E H > S+ 0 0 154 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.931 111.4 38.4 -66.3 -47.3 37.8 27.1 -15.7 52 53 A E H >> S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.928 113.5 54.8 -68.4 -47.4 36.6 25.6 -12.4 53 54 A F H 3X S+ 0 0 35 -4,-3.2 4,-1.8 1,-0.3 -1,-0.2 0.623 101.3 62.1 -63.6 -12.8 36.8 22.0 -13.7 54 55 A K H 3X S+ 0 0 134 -4,-0.6 4,-0.5 -3,-0.3 -1,-0.3 0.867 106.1 43.4 -78.8 -38.5 40.4 22.7 -14.6 55 56 A Q H << S+ 0 0 110 -4,-0.9 -2,-0.2 -3,-0.9 3,-0.2 0.824 117.3 46.7 -73.8 -35.2 41.2 23.3 -10.9 56 57 A I H >X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-1.0 0.898 106.3 57.9 -72.5 -42.1 39.2 20.3 -9.8 57 58 A K H 3< S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.684 115.1 38.6 -62.5 -17.8 40.7 18.1 -12.5 58 59 A A T 3< S+ 0 0 72 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 -0.403 120.9 37.5-133.0 58.0 44.1 18.9 -11.0 59 60 A K T <4 S+ 0 0 102 -3,-1.0 2,-0.4 1,-0.2 -21,-0.3 0.198 82.4 105.2-171.3 -31.2 43.6 18.9 -7.2 60 61 A A < - 0 0 19 -4,-1.9 -1,-0.2 1,-0.2 -21,-0.2 -0.555 64.7-143.0 -71.0 122.4 41.1 16.2 -6.5 61 62 A K S S+ 0 0 162 -23,-2.3 2,-0.3 -2,-0.4 -22,-0.2 0.674 91.5 8.1 -58.4 -14.5 42.8 13.2 -5.0 62 63 A K S S- 0 0 116 -24,-0.4 -21,-2.3 2,-0.0 2,-0.4 -0.936 71.0-163.0-164.7 143.2 40.3 11.2 -7.1 63 64 A L E -d 41 0A 49 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.996 1.5-163.0-139.1 132.1 37.8 12.2 -9.8 64 65 A V E -d 42 0A 37 -23,-2.7 -21,-1.1 -2,-0.4 2,-0.6 -0.957 8.7-151.7-120.1 120.6 34.8 10.3 -11.2 65 66 A X E -d 43 0A 115 -2,-0.5 -21,-0.2 -23,-0.2 -23,-0.1 -0.797 15.8-164.9 -91.3 119.2 33.1 11.2 -14.5 66 67 A A - 0 0 12 -23,-1.7 4,-0.1 -2,-0.6 8,-0.0 -0.798 27.7 -98.4-105.6 144.2 29.5 10.2 -14.6 67 68 A P - 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.207 24.1-131.5 -56.5 149.5 27.3 10.0 -17.7 68 69 A A S S+ 0 0 78 1,-0.2 2,-0.8 -24,-0.1 -24,-0.1 0.945 98.3 49.9 -67.3 -49.8 25.1 13.0 -18.5 69 70 A E S S+ 0 0 186 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.828 83.0 126.5 -96.2 109.0 22.0 10.9 -19.1 70 71 A K - 0 0 65 -2,-0.8 -4,-0.0 -3,-0.1 -2,-0.0 -0.863 62.6-117.8-149.2-179.8 21.5 8.5 -16.2 71 72 A N S S+ 0 0 160 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.814 91.0 64.7 -94.5 -39.7 19.0 7.2 -13.6 72 73 A D S S- 0 0 38 1,-0.1 2,-0.2 4,-0.0 -2,-0.1 -0.577 81.3-122.5 -86.8 150.2 20.9 8.2 -10.4 73 74 A T > - 0 0 43 -2,-0.2 4,-3.5 1,-0.1 3,-0.4 -0.546 31.6-106.2 -85.9 155.2 21.6 11.7 -9.3 74 75 A D H > S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.875 124.7 49.1 -50.7 -38.1 25.3 12.7 -8.7 75 76 A T H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.884 112.0 47.7 -69.4 -36.2 24.5 12.7 -5.0 76 77 A E H > S+ 0 0 24 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.937 114.6 46.7 -67.4 -45.7 22.9 9.3 -5.3 77 78 A L H X S+ 0 0 43 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.900 111.5 51.9 -62.1 -42.4 25.9 8.1 -7.3 78 79 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.912 110.9 46.9 -61.9 -43.6 28.3 9.6 -4.8 79 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.861 112.5 50.2 -68.5 -35.1 26.6 7.9 -1.8 80 81 A K H X S+ 0 0 31 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.913 110.6 50.2 -68.7 -42.1 26.5 4.6 -3.6 81 82 A T H >X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 3,-1.3 0.960 111.6 46.5 -59.0 -55.4 30.2 4.9 -4.5 82 83 A I H 3X>S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.3 5,-0.9 0.910 106.9 56.7 -55.4 -47.4 31.4 5.7 -1.0 83 84 A F H 3<5S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.706 110.0 48.9 -60.1 -17.1 29.3 2.9 0.6 84 85 A D H <<5S+ 0 0 136 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.892 115.1 40.8 -85.8 -46.5 31.2 0.6 -1.8 85 86 A C H <5S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.885 135.0 18.8 -68.9 -41.1 34.7 1.8 -0.9 86 87 A F T <5S- 0 0 86 -4,-3.3 2,-0.4 1,-0.3 -3,-0.2 0.731 91.4-149.8-103.1 -29.8 34.1 2.2 2.8 87 88 A G S - 0 0 138 -2,-0.9 4,-1.4 -3,-0.1 5,-0.1 -0.579 59.8-156.1 -82.0 134.2 15.2 23.2 -7.2 101 102 A I H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.823 93.2 60.3 -74.2 -34.0 12.5 21.3 -5.4 102 103 A D H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.833 107.6 45.2 -65.2 -32.5 12.9 18.2 -7.6 103 104 A H H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.888 110.5 53.4 -77.9 -38.7 16.5 17.8 -6.4 104 105 A X H >X S+ 0 0 53 -4,-1.4 4,-2.9 1,-0.2 3,-0.5 0.941 107.8 50.3 -59.1 -51.1 15.6 18.4 -2.7 105 106 A L H 3X S+ 0 0 86 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.841 104.6 59.4 -55.4 -36.1 13.0 15.7 -2.8 106 107 A S H 3< S+ 0 0 29 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.909 112.0 39.3 -60.2 -42.8 15.5 13.4 -4.3 107 108 A N H X< S+ 0 0 7 -4,-1.6 3,-1.3 -3,-0.5 -2,-0.2 0.866 112.4 55.7 -73.5 -40.3 17.7 13.9 -1.2 108 109 A I H 3< S+ 0 0 24 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 118.6 35.5 -59.5 -36.5 14.7 13.8 1.2 109 110 A F T >< S+ 0 0 52 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.3 -0.241 75.3 130.5-113.0 44.1 13.8 10.4 -0.3 110 111 A L G X + 0 0 0 -3,-1.3 3,-2.0 1,-0.2 6,-0.2 0.881 68.4 62.1 -63.0 -39.9 17.3 9.0 -0.9 111 112 A P G 3 S+ 0 0 2 0, 0.0 6,-0.4 0, 0.0 -1,-0.2 0.717 81.4 83.8 -60.3 -19.3 16.4 5.7 0.9 112 113 A S G < S+ 0 0 62 -3,-0.9 -2,-0.2 -6,-0.2 -6,-0.0 0.671 71.7 91.3 -58.4 -15.6 13.8 5.2 -1.8 113 114 A D S X> S- 0 0 17 -3,-2.0 4,-2.8 1,-0.1 3,-1.8 -0.742 81.0-138.0 -84.1 122.0 16.6 3.8 -3.9 114 115 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.812 103.3 51.9 -47.4 -37.2 16.9 -0.0 -3.3 115 116 A D T 34 S+ 0 0 102 1,-0.2 4,-0.2 2,-0.1 -3,-0.1 0.716 115.4 40.3 -77.1 -20.3 20.6 0.2 -3.2 116 117 A L T X> S+ 0 0 0 -3,-1.8 3,-2.0 -6,-0.2 4,-0.6 0.786 93.1 82.2 -96.2 -32.5 20.6 2.9 -0.6 117 118 A A G >< S+ 0 0 27 -4,-2.8 3,-1.7 -6,-0.4 4,-0.2 0.843 89.1 55.0 -40.2 -48.5 17.8 1.7 1.6 118 119 A P G 34 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.821 114.9 39.1 -58.5 -32.0 20.1 -0.7 3.5 119 120 A F G X4 S+ 0 0 48 -3,-2.0 3,-3.0 -4,-0.2 4,-0.5 0.263 79.2 115.3-101.4 12.2 22.5 2.1 4.4 120 121 A X T << S+ 0 0 14 -3,-1.7 14,-0.5 -4,-0.6 3,-0.4 0.718 74.9 57.1 -55.8 -20.4 19.8 4.7 5.1 121 122 A R T 3 S+ 0 0 97 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.482 98.2 63.1 -88.7 -1.6 20.9 4.7 8.7 122 123 A C S < S+ 0 0 13 -3,-3.0 -31,-3.8 -32,-0.1 2,-0.3 0.545 99.4 51.9 -99.2 -10.3 24.5 5.7 7.7 123 124 A F E -e 91 0A 2 -4,-0.5 11,-0.3 -3,-0.4 2,-0.3 -0.951 58.5-169.6-132.4 153.6 23.8 9.1 6.1 124 125 A K E -e 92 0A 71 -33,-1.1 -31,-3.3 -2,-0.3 2,-0.5 -0.955 21.6-129.0-137.5 152.9 22.1 12.3 7.1 125 126 A L E +eF 93 132A 0 7,-2.0 7,-3.5 -2,-0.3 2,-0.3 -0.891 38.5 170.9-102.8 130.9 21.0 15.6 5.4 126 127 A R E +eF 94 131A 37 -33,-2.6 -31,-0.5 -2,-0.5 -30,-0.4 -0.998 10.1 142.3-145.8 146.5 22.1 18.7 7.3 127 128 A D E > - 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