==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-07 2QE6 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TFU_2867; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 534 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.2 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 . 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 5 0 4 0 0 4 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 4 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 . 0 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A S 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.0 15.0 -30.3 27.0 2 9 A V + 0 0 145 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.758 360.0 68.4 -94.7 -24.4 11.7 -32.3 27.1 3 10 A W S S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 24,-0.0 -0.967 95.1 23.0-157.1 137.3 9.8 -30.3 29.9 4 11 A P S S- 0 0 16 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.663 108.4-103.2 -62.0 160.1 8.6 -27.6 30.2 5 12 A P > - 0 0 26 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.433 23.8-144.8 -68.9 123.0 8.3 -27.5 26.4 6 13 A P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.800 95.9 68.2 -56.9 -31.6 11.1 -25.2 25.1 7 14 A G G 3 S+ 0 0 64 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.593 97.4 53.9 -61.1 -13.5 8.8 -24.0 22.2 8 15 A L G < S+ 0 0 32 -3,-2.3 2,-0.9 1,-0.0 -1,-0.3 0.475 84.8 98.6 -99.5 -4.8 6.6 -22.2 24.9 9 16 A D < + 0 0 66 -3,-1.6 -1,-0.0 -4,-0.3 19,-0.0 -0.755 32.6 158.5 -87.8 102.4 9.6 -20.3 26.4 10 17 A F - 0 0 150 -2,-0.9 -1,-0.1 2,-0.4 -3,-0.0 0.031 66.9-106.1-104.2 23.3 9.7 -16.7 25.0 11 18 A S S S+ 0 0 99 1,-0.2 -2,-0.1 0, 0.0 -3,-0.0 0.868 90.6 115.7 51.9 38.5 11.7 -15.5 28.0 12 19 A K - 0 0 73 0, 0.0 -2,-0.4 0, 0.0 -1,-0.2 -0.999 67.0-122.0-132.5 133.8 8.5 -13.8 29.2 13 20 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.422 22.6-155.7 -72.7 156.9 6.7 -14.8 32.4 14 21 A T > - 0 0 33 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.930 24.8-118.5-123.1 160.1 3.1 -16.0 32.4 15 22 A I H > S+ 0 0 21 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.934 113.2 49.0 -58.7 -49.7 0.5 -15.9 35.2 16 23 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 64,-0.3 0.905 113.7 46.1 -58.6 -45.4 0.1 -19.7 35.4 17 24 A R H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 111.0 50.5 -70.3 -38.7 3.8 -20.3 35.5 18 25 A V H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.934 112.0 47.2 -63.6 -42.6 4.6 -17.8 38.1 19 26 A Y H X S+ 0 0 26 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.930 111.3 52.9 -64.0 -40.9 1.9 -19.1 40.4 20 27 A D H <>S+ 0 0 6 -4,-2.2 5,-3.1 -5,-0.3 4,-0.4 0.929 108.4 49.5 -58.4 -46.7 3.2 -22.6 39.7 21 28 A A H ><5S+ 0 0 10 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.927 107.5 54.9 -57.4 -46.5 6.7 -21.4 40.7 22 29 A L H 3<5S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.8 47.4 -55.3 -39.2 5.2 -19.9 44.0 23 30 A L T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.419 122.7-106.0 -79.6 -2.7 3.7 -23.3 44.8 24 31 A G T < 5 + 0 0 66 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.728 68.8 149.7 80.7 22.9 6.9 -25.1 44.1 25 32 A G < - 0 0 29 -5,-3.1 -1,-0.2 -6,-0.2 57,-0.1 -0.338 50.1-134.7 -80.3 168.0 5.9 -26.6 40.7 26 33 A K S S+ 0 0 94 1,-0.1 2,-1.7 -2,-0.1 -1,-0.1 0.345 78.4 99.1-102.5 -0.0 8.2 -27.5 37.8 27 34 A D S S+ 0 0 9 54,-0.2 2,-0.3 -11,-0.1 -6,-0.2 -0.550 70.1 82.0 -87.7 75.3 5.9 -26.0 35.0 28 35 A N - 0 0 5 -2,-1.7 2,-0.2 -8,-0.1 -10,-0.1 -0.976 65.2-131.9-166.6 161.1 7.8 -22.7 34.7 29 36 A F >> - 0 0 17 -2,-0.3 4,-2.3 -17,-0.1 3,-0.7 -0.695 42.5 -89.3-117.3 180.0 10.9 -21.2 33.1 30 37 A E H 3> S+ 0 0 149 1,-0.3 4,-3.5 -2,-0.2 5,-0.2 0.893 124.9 56.1 -59.7 -38.3 13.6 -19.0 34.5 31 38 A A H 3> S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.850 109.2 48.7 -63.4 -33.8 11.7 -15.7 33.7 32 39 A D H <> S+ 0 0 1 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.924 113.0 44.8 -71.6 -47.5 8.8 -17.1 35.8 33 40 A R H X S+ 0 0 105 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.898 110.9 55.8 -61.6 -42.7 11.0 -18.1 38.8 34 41 A A H X S+ 0 0 54 -4,-3.5 4,-2.3 -5,-0.3 -1,-0.2 0.923 111.0 43.9 -56.4 -40.8 12.8 -14.7 38.5 35 42 A L H X S+ 0 0 16 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.903 112.3 51.2 -75.5 -38.0 9.5 -12.8 38.8 36 43 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 112.5 47.9 -58.4 -46.7 8.2 -15.1 41.7 37 44 A D H X S+ 0 0 98 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.918 112.8 47.8 -58.0 -50.1 11.5 -14.5 43.6 38 45 A Y H X S+ 0 0 98 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.923 112.2 48.9 -57.7 -46.4 11.3 -10.7 43.0 39 46 A A H >X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 0.909 110.7 50.7 -62.5 -44.8 7.7 -10.6 44.1 40 47 A C H 3< S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.3 57.3 -61.5 -34.1 8.4 -12.6 47.3 41 48 A K H 3< S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 119.1 30.6 -66.3 -30.3 11.3 -10.2 48.1 42 49 A X H << S+ 0 0 166 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.609 116.9 57.6-102.8 -16.8 8.8 -7.3 48.0 43 50 A I S >< S- 0 0 1 -4,-1.8 3,-1.8 -5,-0.1 -1,-0.2 -0.882 77.8-140.8-128.1 95.6 5.6 -8.9 49.2 44 51 A P T 3 S+ 0 0 77 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.230 85.2 11.9 -60.2 136.5 5.7 -10.7 52.6 45 52 A G T 3> S+ 0 0 30 -5,-0.2 4,-2.6 207,-0.1 5,-0.2 0.585 81.1 138.0 79.0 8.2 3.8 -13.9 52.7 46 53 A L H <> S+ 0 0 13 -3,-1.8 4,-1.6 1,-0.2 5,-0.2 0.935 74.0 43.3 -55.0 -53.8 3.3 -14.2 48.9 47 54 A K H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 113.7 52.3 -60.2 -41.2 4.0 -17.9 48.7 48 55 A E H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 105.0 56.5 -63.1 -36.7 1.8 -18.6 51.8 49 56 A S H X S+ 0 0 20 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.863 107.6 48.1 -58.5 -40.2 -1.0 -16.6 50.2 50 57 A A H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.904 110.7 51.4 -67.5 -44.8 -0.9 -19.0 47.2 51 58 A I H X S+ 0 0 76 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.943 110.0 48.7 -55.7 -48.6 -0.8 -22.0 49.5 52 59 A E H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.841 108.6 54.7 -62.7 -32.9 -3.9 -20.7 51.3 53 60 A N H X S+ 0 0 14 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.923 109.4 46.8 -67.3 -42.2 -5.6 -20.1 48.0 54 61 A R H X S+ 0 0 22 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 111.4 51.8 -63.2 -42.7 -5.1 -23.7 47.0 55 62 A K H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.879 111.0 46.7 -62.0 -40.3 -6.3 -24.9 50.4 56 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.843 107.4 58.4 -71.6 -29.8 -9.5 -22.8 50.1 57 64 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.949 109.3 44.7 -57.4 -48.6 -10.0 -24.2 46.6 58 65 A V H X S+ 0 0 13 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.938 114.7 46.7 -62.8 -50.4 -10.0 -27.7 48.1 59 66 A R H X S+ 0 0 15 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.875 115.7 47.0 -58.2 -40.3 -12.3 -26.8 50.9 60 67 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.911 112.3 47.1 -71.8 -42.7 -14.7 -25.0 48.6 61 68 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.910 111.7 52.5 -65.8 -39.3 -14.8 -27.7 45.9 62 69 A R H X>S+ 0 0 93 -4,-2.5 4,-1.6 -5,-0.2 5,-0.6 0.899 110.5 48.2 -61.4 -41.0 -15.4 -30.3 48.7 63 70 A F H <>S+ 0 0 19 -4,-1.8 5,-2.9 -5,-0.2 6,-0.4 0.952 116.0 44.1 -60.8 -47.8 -18.3 -28.1 50.0 64 71 A L H <5S+ 0 0 0 -4,-2.6 6,-2.9 1,-0.2 -2,-0.2 0.911 118.0 40.6 -65.9 -45.9 -19.8 -27.8 46.5 65 72 A A H <5S+ 0 0 3 -4,-2.9 -1,-0.2 4,-0.2 -2,-0.2 0.731 129.2 26.6 -80.7 -25.1 -19.4 -31.4 45.3 66 73 A G T ><5S+ 0 0 35 -4,-1.6 3,-0.6 -5,-0.3 -3,-0.2 0.815 131.6 21.8 -96.3 -85.3 -20.4 -33.0 48.6 67 74 A E T 3 -ab 101 154A 1 25,-2.7 27,-2.5 -2,-0.5 3,-0.6 -0.826 6.3-162.4-106.9 98.5 -13.0 -23.9 36.4 76 83 A L E 3 S+a 102 0A 0 78,-2.1 27,-0.2 -2,-0.9 80,-0.1 -0.708 75.4 9.6 -90.5 124.9 -12.0 -20.6 34.8 77 84 A G T 3 S+ 0 0 0 25,-2.1 -1,-0.3 -2,-0.5 26,-0.2 0.936 80.9 176.8 72.1 52.1 -8.3 -19.7 34.9 78 85 A S < - 0 0 7 24,-2.3 25,-0.1 -3,-0.6 8,-0.1 0.725 19.6-152.3 -63.1 -30.2 -7.6 -23.2 36.2 79 86 A G - 0 0 7 23,-0.2 -1,-0.1 26,-0.0 3,-0.1 -0.072 34.1 -46.1 74.9 179.6 -3.8 -22.8 36.3 80 87 A L S S- 0 0 7 -64,-0.3 28,-0.1 1,-0.1 29,-0.0 -0.387 78.5 -76.7 -81.8 161.8 -1.2 -25.6 36.0 81 88 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -54,-0.2 -0.223 45.9-174.2 -73.3 149.4 -1.6 -28.8 38.0 82 89 A T - 0 0 35 -3,-0.1 3,-0.3 -57,-0.1 -62,-0.0 -0.608 48.1 -88.5-118.9-175.4 -1.0 -29.2 41.7 83 90 A V S S+ 0 0 146 1,-0.2 2,-0.3 -2,-0.2 0, 0.0 0.618 122.6 37.4 -75.9 -11.4 -1.0 -32.2 43.9 84 91 A Q S S- 0 0 108 4,-0.0 -1,-0.2 5,-0.0 2,-0.2 -0.773 79.0-179.9-138.7 96.0 -4.8 -31.6 44.6 85 92 A N >> - 0 0 16 -3,-0.3 4,-2.4 -2,-0.3 3,-0.7 -0.527 40.9-100.8 -95.7 163.9 -6.8 -30.4 41.6 86 93 A T H 3> S+ 0 0 1 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.853 119.6 47.6 -46.3 -53.1 -10.5 -29.5 41.3 87 94 A H H 3> S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.801 110.8 53.2 -66.3 -29.0 -11.6 -32.7 39.6 88 95 A E H <> S+ 0 0 82 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.930 112.9 42.8 -70.1 -47.9 -9.7 -34.8 42.2 89 96 A V H X S+ 0 0 8 -4,-2.4 4,-1.1 2,-0.2 3,-0.3 0.964 116.5 48.6 -59.1 -50.1 -11.3 -33.1 45.1 90 97 A A H >X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 3,-0.7 0.919 112.6 47.1 -59.6 -45.2 -14.8 -33.2 43.3 91 98 A Q H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 102.3 64.8 -72.1 -23.6 -14.4 -36.9 42.5 92 99 A S H 3< S+ 0 0 92 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.823 118.5 25.3 -64.6 -33.0 -13.3 -37.8 46.0 93 100 A V H << S+ 0 0 55 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.631 138.1 26.8-101.0 -19.4 -16.7 -36.7 47.4 94 101 A N >< - 0 0 22 -4,-1.9 3,-2.4 -5,-0.2 -1,-0.2 -0.768 63.2-164.4-151.7 89.1 -18.8 -37.3 44.2 95 102 A P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.718 90.1 54.4 -54.7 -25.9 -17.5 -39.9 41.8 96 103 A D T 3 S+ 0 0 112 -6,-0.1 -5,-0.1 2,-0.1 -25,-0.1 0.400 78.3 130.6 -84.7 -2.3 -19.9 -38.6 39.0 97 104 A A < - 0 0 0 -3,-2.4 2,-0.4 -7,-0.2 -25,-0.2 -0.215 44.5-151.4 -60.9 146.9 -18.6 -35.0 39.1 98 105 A R E -a 72 0A 69 -27,-2.6 -25,-2.6 46,-0.0 2,-0.4 -0.974 11.9-172.6-125.3 130.7 -17.7 -33.4 35.8 99 106 A V E -ac 73 122A 0 22,-2.2 24,-2.2 -2,-0.4 2,-0.5 -0.991 11.0-167.5-130.6 133.6 -15.1 -30.6 35.5 100 107 A V E -ac 74 123A 0 -27,-2.1 -25,-2.7 -2,-0.4 2,-0.4 -0.990 15.1-157.0-118.8 117.3 -14.1 -28.5 32.5 101 108 A Y E -ac 75 124A 17 22,-2.8 24,-2.0 -2,-0.5 2,-0.4 -0.776 8.0-170.6 -96.3 143.4 -10.9 -26.5 33.0 102 109 A V E +ac 76 125A 0 -27,-2.5 -24,-2.3 -2,-0.4 -25,-2.1 -0.999 12.5 159.9-134.9 129.1 -10.1 -23.3 31.0 103 110 A D E - c 0 126A 1 22,-1.8 24,-1.2 -2,-0.4 6,-0.1 -0.989 37.9-142.4-146.9 151.3 -6.8 -21.5 30.9 104 111 A I S S+ 0 0 76 -2,-0.3 24,-0.1 22,-0.2 22,-0.1 0.752 81.5 88.8 -81.4 -28.4 -5.2 -19.0 28.5 105 112 A D S >> S- 0 0 6 1,-0.2 3,-1.8 22,-0.1 4,-0.7 -0.644 71.0-148.5 -72.7 117.0 -1.6 -20.5 29.0 106 113 A P H 3> S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.696 93.0 72.5 -58.2 -23.1 -1.2 -23.2 26.4 107 114 A X H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.813 90.7 59.0 -60.4 -29.6 1.1 -25.1 28.9 108 115 A V H <> S+ 0 0 7 -3,-1.8 4,-2.7 2,-0.2 5,-0.2 0.958 110.1 41.6 -64.5 -49.1 -2.1 -25.9 30.9 109 116 A L H X S+ 0 0 64 -4,-0.7 4,-2.6 1,-0.2 5,-0.3 0.918 114.5 52.6 -62.0 -43.1 -3.6 -27.7 27.9 110 117 A T H X S+ 0 0 71 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.906 116.8 36.4 -63.6 -41.7 -0.3 -29.3 27.1 111 118 A H H X S+ 0 0 47 -4,-2.6 4,-1.5 1,-0.1 -2,-0.2 0.931 122.4 45.3 -72.0 -43.9 0.3 -30.8 30.5 112 119 A G H X S+ 0 0 9 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.798 97.8 66.1 -73.2 -36.9 -3.4 -31.6 31.2 113 120 A R H X S+ 0 0 46 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.914 106.5 48.2 -57.8 -45.3 -4.3 -33.2 27.9 114 121 A A H >< S+ 0 0 77 -4,-0.7 3,-0.9 -5,-0.3 4,-0.4 0.977 114.7 43.1 -46.5 -67.9 -1.9 -35.9 28.9 115 122 A L H 3< S+ 0 0 99 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.732 121.0 40.5 -57.7 -26.4 -3.3 -36.2 32.4 116 123 A L H >< S+ 0 0 17 -4,-2.7 3,-0.7 1,-0.1 6,-0.3 0.332 82.4 86.8-117.7 4.8 -7.1 -36.1 31.3 117 124 A A T << S+ 0 0 93 -4,-1.0 -1,-0.1 -3,-0.9 -2,-0.1 0.792 93.2 55.9 -69.5 -27.2 -7.6 -38.1 28.1 118 125 A K T 3 S+ 0 0 121 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.516 97.5 73.6 -77.2 -9.6 -8.1 -41.1 30.5 119 126 A D X - 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