==== 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 17-JUN-09 3HWI . COMPND 2 MOLECULE: THIOSULFATE SULFURTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 538 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 1 5 4 2 1 0 0 5 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 4 3 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 PARALLEL BRIDGES PER LADDER . 8 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 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 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 3 A R >> 0 0 113 0, 0.0 4,-1.9 0, 0.0 3,-1.7 0.000 360.0 360.0 360.0 -20.5 9.6 35.7 83.4 2 4 A C T 34 + 0 0 68 1,-0.3 5,-0.0 2,-0.2 0, 0.0 0.658 360.0 72.8 -61.9 -15.3 11.5 33.9 86.2 3 5 A D T 34 S+ 0 0 137 1,-0.2 101,-0.4 236,-0.1 -1,-0.3 0.761 117.8 11.5 -69.2 -25.8 8.6 31.3 86.3 4 6 A V T <4 S+ 0 0 19 -3,-1.7 102,-2.5 1,-0.2 2,-0.4 0.447 126.9 51.2-130.4 -12.3 9.7 29.7 83.0 5 7 A L E < -a 106 0A 12 -4,-1.9 2,-0.3 100,-0.3 -1,-0.2 -0.989 56.0-169.8-136.5 135.9 13.1 31.1 82.2 6 8 A V E -a 107 0A 8 100,-2.6 102,-3.7 -2,-0.4 2,-0.1 -0.973 20.5-126.7-124.9 150.5 16.3 31.4 84.3 7 9 A S > - 0 0 58 -2,-0.3 4,-2.7 100,-0.2 5,-0.1 -0.398 27.0-109.3 -85.6 166.9 19.5 33.3 83.5 8 10 A A H > S+ 0 0 1 100,-0.2 4,-3.1 2,-0.2 5,-0.2 0.875 119.4 52.9 -63.9 -37.6 23.0 31.9 83.4 9 11 A D H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 110.3 46.9 -64.3 -46.7 23.9 33.8 86.6 10 12 A W H > S+ 0 0 90 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.954 114.2 48.9 -54.5 -49.6 20.9 32.4 88.4 11 13 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.2 0.935 110.5 48.7 -59.0 -50.9 21.9 28.9 87.1 12 14 A E H >< S+ 0 0 70 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.859 112.0 51.1 -56.2 -35.1 25.5 29.2 88.2 13 15 A S H 3< S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.702 115.2 42.5 -75.4 -18.7 24.4 30.3 91.7 14 16 A N T X< + 0 0 44 -4,-1.2 3,-1.6 -3,-0.8 -1,-0.2 0.123 68.7 120.8-122.6 25.8 22.0 27.4 92.1 15 17 A L T < S+ 0 0 33 -3,-0.7 7,-0.2 1,-0.3 -1,-0.1 0.867 91.9 28.4 -49.3 -42.7 23.9 24.4 90.8 16 18 A H T 3 S+ 0 0 157 -3,-0.2 -1,-0.3 5,-0.1 -2,-0.1 -0.056 89.9 138.3-118.8 32.9 23.6 22.6 94.1 17 19 A A X - 0 0 20 -3,-1.6 3,-1.3 1,-0.1 -3,-0.1 -0.499 64.4 -87.0 -77.2 147.6 20.4 24.2 95.4 18 20 A P T 3 S- 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 107.1 -0.3 -55.6 130.5 17.7 22.0 97.2 19 21 A K T 3 S+ 0 0 144 1,-0.2 58,-3.1 57,-0.1 2,-0.4 0.779 99.9 122.3 56.3 35.4 15.2 20.3 94.8 20 22 A V E < -b 77 0A 20 -3,-1.3 2,-0.4 56,-0.2 58,-0.2 -0.996 37.4-176.5-123.9 127.5 16.8 21.8 91.6 21 23 A V E -b 78 0A 3 56,-2.6 58,-2.9 -2,-0.4 2,-0.4 -0.989 16.7-144.1-132.3 125.4 18.0 19.5 88.8 22 24 A F E -b 79 0A 3 -2,-0.4 19,-2.3 17,-0.2 2,-0.4 -0.712 17.1-169.7 -89.0 135.3 19.7 20.4 85.6 23 25 A V E -bc 80 41A 0 56,-3.1 58,-1.8 -2,-0.4 2,-0.5 -0.989 10.9-150.5-130.7 120.6 18.9 18.3 82.5 24 26 A E E -bc 81 42A 3 17,-3.2 19,-2.0 -2,-0.4 2,-0.5 -0.810 15.0-169.8 -92.8 129.5 20.8 18.5 79.3 25 27 A V E + c 0 43A 0 56,-2.5 64,-0.3 -2,-0.5 2,-0.3 -0.957 20.3 139.3-126.3 117.9 18.7 17.7 76.2 26 28 A D E - c 0 44A 10 17,-1.0 19,-2.2 -2,-0.5 20,-0.3 -0.853 64.4 -92.2-141.4 175.9 20.2 17.2 72.8 27 29 A E S S+ 0 0 38 -2,-0.3 19,-0.7 18,-0.2 2,-0.3 0.843 114.1 9.6 -54.9 -42.1 19.9 15.0 69.6 28 30 A D S S- 0 0 60 17,-0.1 4,-0.2 18,-0.1 3,-0.2 -0.775 72.9-125.3-126.6 172.2 22.6 12.7 71.1 29 31 A T S > S+ 0 0 28 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 0.341 86.6 103.2 -95.5 5.0 24.2 12.6 74.5 30 32 A S H > S+ 0 0 70 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.882 78.8 47.9 -62.3 -41.2 27.6 12.9 72.8 31 33 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.888 115.2 46.1 -60.3 -42.4 28.0 16.6 73.7 32 34 A Y H 4 S+ 0 0 13 2,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.872 107.5 57.0 -66.4 -44.0 27.0 15.9 77.4 33 35 A D H < S+ 0 0 82 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 108.4 48.4 -57.5 -42.2 29.4 12.9 77.4 34 36 A R H < S- 0 0 62 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.999 134.9 -38.9 -55.0 -70.3 32.2 15.3 76.5 35 37 A D < + 0 0 50 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 -0.957 62.3 171.6-154.3 172.3 31.2 17.9 79.2 36 38 A H B -E 122 0B 4 86,-1.6 86,-3.9 -2,-0.3 88,-0.1 -0.972 47.1 -56.8-169.9 171.9 28.1 19.4 80.9 37 39 A I S > S- 0 0 1 -2,-0.3 3,-2.3 84,-0.2 84,-0.1 -0.461 75.8 -86.8 -67.3 136.8 26.9 21.7 83.6 38 40 A A T 3 S+ 0 0 28 82,-0.3 -16,-0.1 1,-0.3 -1,-0.1 -0.189 110.0 2.4 -51.6 127.8 28.1 20.3 87.0 39 41 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 85,-0.2 -17,-0.2 0.445 97.3 137.3 76.3 -0.6 25.7 17.7 88.4 40 42 A A < - 0 0 0 -3,-2.3 -1,-0.3 -19,-0.1 -17,-0.2 -0.461 39.9-150.8 -75.7 151.9 23.4 17.8 85.4 41 43 A I E -c 23 0A 8 -19,-2.3 -17,-3.2 -2,-0.1 2,-0.3 -0.534 12.4-120.9-110.8-174.3 22.0 14.7 83.9 42 44 A K E -c 24 0A 70 -19,-0.2 2,-0.4 -2,-0.2 -17,-0.2 -0.918 14.1-164.8-136.6 146.7 21.0 13.9 80.3 43 45 A L E -c 25 0A 1 -19,-2.0 -17,-1.0 -2,-0.3 2,-0.8 -0.994 22.8-136.7-130.8 133.0 18.0 12.8 78.2 44 46 A D E >> -c 26 0A 25 -2,-0.4 4,-2.4 1,-0.2 5,-1.3 -0.809 8.9-155.0 -91.0 112.1 18.5 11.5 74.7 45 47 A W T 45S+ 0 0 34 -19,-2.2 4,-0.4 -2,-0.8 5,-0.4 0.881 90.9 43.5 -55.7 -41.4 15.9 13.1 72.6 46 48 A R T 45S+ 0 0 48 -19,-0.7 4,-0.5 -20,-0.3 -1,-0.2 0.947 128.4 21.5 -71.2 -54.8 16.0 10.3 70.0 47 49 A T T 45S+ 0 0 105 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.751 130.4 40.2 -92.8 -26.6 16.2 7.1 72.3 48 50 A D T <5S+ 0 0 28 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.1 0.869 123.4 31.8 -83.4 -41.4 14.7 8.4 75.6 49 51 A L S - 0 0 80 -3,-0.1 4,-2.4 79,-0.0 5,-0.2 -0.186 39.4 -77.8 -84.8-174.8 3.3 8.3 76.8 60 62 A A H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 75,-0.4 0.895 129.7 43.5 -49.6 -53.6 2.6 9.0 80.5 61 63 A Q H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 115.6 47.7 -69.9 -35.4 3.8 5.7 81.8 62 64 A Q H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 113.3 48.8 -71.2 -32.8 6.9 5.7 79.7 63 65 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 111.6 49.8 -70.6 -43.4 7.7 9.3 80.7 64 66 A S H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 69,-0.5 0.916 111.8 47.9 -57.3 -50.8 7.1 8.4 84.4 65 67 A K H X S+ 0 0 116 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.883 111.3 51.3 -55.3 -48.6 9.5 5.4 84.1 66 68 A L H X S+ 0 0 12 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.951 113.7 42.4 -56.7 -52.8 12.2 7.5 82.3 67 69 A L H X>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 4,-0.6 0.881 112.3 54.6 -64.9 -40.0 12.2 10.3 84.9 68 70 A S H ><5S+ 0 0 20 -4,-2.5 63,-2.3 1,-0.2 3,-0.9 0.920 110.4 47.0 -56.3 -46.5 12.0 7.7 87.8 69 71 A E H 3<5S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.3 50.2 -70.3 -26.2 15.1 6.0 86.4 70 72 A R H 3<5S- 0 0 71 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.457 118.3-111.6 -91.2 -2.4 17.0 9.4 85.9 71 73 A G T <<5 + 0 0 1 -3,-0.9 2,-0.4 -4,-0.6 -3,-0.2 0.781 66.3 146.1 77.6 32.3 16.2 10.3 89.5 72 74 A I < - 0 0 0 -5,-3.1 -1,-0.3 -6,-0.1 2,-0.3 -0.871 30.4-157.6-100.3 134.5 13.8 13.2 88.8 73 75 A A > - 0 0 28 -2,-0.4 3,-1.3 60,-0.1 60,-0.1 -0.716 27.5-115.3-108.4 158.0 10.8 13.8 91.2 74 76 A N T 3 S+ 0 0 61 58,-0.4 29,-0.4 -2,-0.3 28,-0.3 0.800 116.0 49.0 -54.3 -38.5 7.5 15.5 90.7 75 77 A E T 3 S+ 0 0 111 27,-0.1 -1,-0.2 26,-0.1 2,-0.1 0.434 89.1 110.1 -90.5 -1.3 8.4 18.2 93.2 76 78 A D S < S- 0 0 12 -3,-1.3 2,-0.7 1,-0.0 27,-0.4 -0.401 71.0-126.9 -65.4 146.4 11.8 19.0 91.6 77 79 A T E -b 20 0A 24 -58,-3.1 -56,-2.6 -2,-0.1 2,-0.4 -0.891 31.1-150.0 -89.1 120.7 12.4 22.3 89.8 78 80 A V E -bd 21 104A 0 25,-2.8 27,-2.4 -2,-0.7 2,-0.6 -0.809 9.7-161.0 -98.8 132.5 13.8 21.1 86.4 79 81 A I E -bd 22 105A 0 -58,-2.9 -56,-3.1 -2,-0.4 2,-0.4 -0.941 10.3-161.4-117.6 113.5 16.2 23.2 84.5 80 82 A L E +bd 23 106A 0 25,-3.0 27,-2.5 -2,-0.6 2,-0.3 -0.738 19.2 155.2-100.2 137.5 16.5 22.4 80.8 81 83 A Y E +b 24 0A 0 -58,-1.8 -56,-2.5 -2,-0.4 2,-0.3 -0.982 7.0 162.4-154.8 154.5 19.4 23.4 78.6 82 84 A G - 0 0 1 -2,-0.3 29,-1.9 -58,-0.2 30,-0.5 -0.987 34.3-112.2-165.0 165.1 21.0 22.2 75.4 83 85 A G S > S+ 0 0 12 -2,-0.3 3,-1.1 28,-0.2 5,-0.5 0.001 86.6 73.0 -81.6-156.4 23.3 22.9 72.4 84 86 A N G > S- 0 0 79 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.891 135.2 -58.4 38.7 49.9 21.8 23.1 68.9 85 87 A N G 3 S- 0 0 58 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.696 86.4 -74.5 66.7 22.4 20.3 26.4 69.8 86 88 A N G <> S+ 0 0 5 -3,-1.1 4,-2.1 -4,-0.3 -1,-0.3 0.618 97.8 133.9 60.5 13.2 18.3 25.0 72.8 87 89 A W H <> S+ 0 0 49 -3,-1.6 4,-1.1 -4,-0.3 -2,-0.1 0.892 72.7 39.9 -58.5 -46.0 15.9 23.5 70.3 88 90 A F H > S+ 0 0 25 -5,-0.5 4,-2.2 -63,-0.2 -1,-0.2 0.784 111.6 56.7 -78.2 -26.0 15.8 20.1 72.0 89 91 A A H > S+ 0 0 0 -6,-0.3 4,-1.5 -64,-0.3 -2,-0.2 0.848 108.2 48.2 -72.4 -34.4 15.7 21.6 75.4 90 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.789 109.3 54.1 -70.5 -30.7 12.5 23.6 74.5 91 93 A Y H X S+ 0 0 6 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.930 110.0 45.7 -69.8 -45.6 11.1 20.4 73.0 92 94 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.860 109.0 57.0 -61.3 -36.2 11.6 18.6 76.3 93 95 A Y H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.966 107.3 48.0 -60.6 -51.2 10.2 21.6 78.1 94 96 A W H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.920 110.8 50.9 -52.3 -47.8 7.0 21.2 76.1 95 97 A Y H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.937 109.0 52.1 -59.7 -44.7 7.0 17.4 76.9 96 98 A F H <>S+ 0 0 0 -4,-3.2 5,-2.5 1,-0.2 -1,-0.2 0.897 112.5 44.6 -56.2 -40.4 7.4 18.4 80.7 97 99 A K H ><5S+ 0 0 43 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.929 108.8 57.2 -70.7 -41.7 4.4 20.7 80.4 98 100 A L H 3<5S+ 0 0 1 -4,-2.9 41,-2.0 1,-0.3 -1,-0.2 0.890 108.6 46.6 -51.7 -44.5 2.4 18.2 78.4 99 101 A Y T 3<5S- 0 0 9 -4,-2.1 37,-2.3 39,-0.2 -1,-0.3 0.233 123.0-104.8 -91.2 13.6 2.8 15.7 81.3 100 102 A G T < 5 + 0 0 44 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.598 58.9 161.5 84.8 15.3 1.9 18.2 83.9 101 103 A H < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.578 19.3-166.9 -71.2 122.7 5.2 19.1 85.4 102 104 A E + 0 0 127 -2,-0.5 2,-1.0 -28,-0.3 -1,-0.1 0.936 68.4 52.2 -82.8 -48.9 4.8 22.4 87.3 103 105 A K S S+ 0 0 66 -29,-0.4 -25,-2.8 -27,-0.4 2,-0.3 -0.749 73.6 122.8-102.1 98.4 8.3 23.6 88.1 104 106 A V E + d 0 78A 1 -2,-1.0 2,-0.3 -101,-0.4 -25,-0.2 -0.990 29.4 179.6-153.7 143.8 10.5 23.6 85.0 105 107 A K E - d 0 79A 39 -27,-2.4 -25,-3.0 -2,-0.3 2,-0.3 -0.981 27.5-119.2-147.1 150.6 12.4 26.3 83.2 106 108 A L E -ad 5 80A 0 -102,-2.5 -100,-2.6 -2,-0.3 2,-0.7 -0.728 30.4-123.3 -85.3 144.2 14.7 26.9 80.2 107 109 A L E > -a 6 0A 0 -27,-2.5 3,-2.2 -2,-0.3 2,-0.3 -0.842 40.0-114.0 -84.0 118.7 18.2 28.1 80.9 108 110 A D T 3 S+ 0 0 28 -102,-3.7 -100,-0.2 -2,-0.7 90,-0.2 -0.376 97.8 5.7 -67.1 119.5 18.2 31.3 78.9 109 111 A G T >> S- 0 0 5 88,-0.6 4,-1.7 -2,-0.3 3,-0.6 0.242 97.9-148.7 91.7 -13.0 20.7 30.9 76.0 110 112 A G H <> - 0 0 0 -3,-2.2 4,-1.8 1,-0.2 3,-0.2 -0.073 61.3 -19.2 52.7-146.0 21.3 27.2 76.9 111 113 A R H 3> S+ 0 0 20 -29,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.818 135.0 61.5 -61.3 -35.5 24.7 25.8 76.2 112 114 A K H <> S+ 0 0 93 -3,-0.6 4,-2.0 -30,-0.5 -1,-0.2 0.920 109.2 39.8 -61.8 -45.4 25.6 28.5 73.7 113 115 A K H X S+ 0 0 36 -4,-1.7 4,-2.9 -3,-0.2 6,-0.2 0.861 112.3 57.5 -73.5 -36.4 25.4 31.3 76.3 114 116 A W H <>S+ 0 0 4 -4,-1.8 5,-2.4 1,-0.2 4,-0.3 0.948 112.9 39.8 -56.8 -50.1 27.0 29.2 79.0 115 117 A E H <5S+ 0 0 95 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.810 113.8 53.2 -71.2 -34.2 30.1 28.7 76.8 116 118 A L H <5S+ 0 0 117 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 109.7 48.7 -65.8 -42.1 30.1 32.3 75.5 117 119 A D T <5S- 0 0 64 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.590 114.8-127.2 -67.6 -14.4 30.0 33.5 79.1 118 120 A G T 5 + 0 0 62 -3,-0.3 -3,-0.2 -4,-0.3 -4,-0.1 0.661 45.8 171.9 76.4 21.8 32.9 31.0 79.6 119 121 A R < - 0 0 36 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.0 -0.171 38.2 -84.7 -69.5 152.7 31.2 29.2 82.6 120 122 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -82,-0.3 -0.191 40.2-161.9 -64.1 148.5 32.6 26.0 84.1 121 123 A L - 0 0 57 -84,-0.1 2,-0.4 -3,-0.1 -84,-0.2 -0.974 10.1-136.4-128.5 144.4 31.8 22.6 82.7 122 124 A S B -E 36 0B 22 -86,-3.9 -86,-1.6 -2,-0.4 -82,-0.0 -0.827 14.4-170.8-106.8 135.6 32.2 19.2 84.3 123 125 A S + 0 0 90 -2,-0.4 -1,-0.1 -88,-0.2 -86,-0.1 0.371 56.5 114.5 -93.9 -2.2 33.6 16.1 82.7 124 126 A D S S- 0 0 109 -88,-0.1 -85,-0.2 1,-0.1 -2,-0.1 -0.401 71.7-108.8 -79.1 146.5 32.5 13.9 85.6 125 127 A P - 0 0 127 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.310 32.0-151.0 -67.0 153.7 29.8 11.1 85.5 126 128 A V + 0 0 43 -88,-0.0 2,-0.4 2,-0.0 -88,-0.0 -0.997 18.2 173.2-132.2 128.6 26.5 11.9 87.2 127 129 A S - 0 0 115 -2,-0.4 -57,-0.1 -86,-0.1 -56,-0.1 -0.989 9.7-166.1-129.9 142.3 24.2 9.4 88.8 128 130 A R - 0 0 80 -2,-0.4 2,-0.1 -59,-0.2 -56,-0.1 -0.960 35.6-101.3-123.4 140.5 21.1 10.3 90.8 129 131 A P - 0 0 115 0, 0.0 -59,-0.0 0, 0.0 -2,-0.0 -0.446 49.3 -99.3 -64.9 137.4 19.3 7.8 93.0 130 132 A V - 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