==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-DEC-11 3V5O . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.YUN,Y.WU,Z.LI,Y.ZHAO,M.B.WADDELL,A.M.FERREIRA,R.E.LEE,BASH . 520 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.1 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 . 2 0.4 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 . 39 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 0 0 0 2 0 6 0 0 0 2 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 . 2 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 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 K 0 0 182 0, 0.0 2,-0.6 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -22.9 -89.7 69.2 76.3 2 3 A W - 0 0 30 1,-0.1 13,-0.1 2,-0.1 14,-0.1 -0.979 360.0-158.5 -98.6 124.2 -86.3 68.9 78.0 3 4 A D + 0 0 155 -2,-0.6 2,-0.3 12,-0.0 -1,-0.1 0.277 68.2 43.0 -89.5 14.7 -84.9 65.7 76.5 4 5 A Y S S- 0 0 33 164,-0.0 11,-0.5 0, 0.0 2,-0.3 -0.923 72.7-122.5-147.4 170.1 -82.5 65.2 79.4 5 6 A D E -A 14 0A 75 -2,-0.3 2,-0.6 9,-0.1 9,-0.2 -0.806 33.9-103.6-111.0 157.7 -82.1 65.3 83.2 6 7 A L E -A 13 0A 0 7,-2.8 7,-2.0 -2,-0.3 2,-0.6 -0.734 33.7-146.2 -79.1 119.8 -79.7 67.3 85.3 7 8 A R E +A 12 0A 121 -2,-0.6 5,-0.2 5,-0.2 3,-0.1 -0.809 25.0 170.3 -91.3 118.0 -76.9 64.9 86.5 8 9 A C E > -A 11 0A 2 3,-2.1 3,-2.1 -2,-0.6 2,-0.6 -0.473 49.8-109.0-125.1 58.0 -75.7 65.9 90.0 9 10 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 97,-0.1 97,-0.0 -0.352 107.6 15.3 53.3-101.8 -73.5 62.9 91.0 10 11 A E T 3 S+ 0 0 132 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.856 128.7 52.6 -67.5 -38.0 -75.6 61.2 93.6 11 12 A Y E < -A 8 0A 33 -3,-2.1 -3,-2.1 74,-0.0 2,-0.4 -0.672 66.1-150.9-106.6 156.1 -78.9 63.0 92.8 12 13 A T E -A 7 0A 73 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.984 5.9-157.5-130.7 124.0 -80.9 63.5 89.6 13 14 A L E -A 6 0A 14 -7,-2.0 -7,-2.8 -2,-0.4 2,-0.4 -0.885 8.4-148.0-107.7 117.6 -83.1 66.5 88.8 14 15 A N E -A 5 0A 50 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.680 2.1-158.7 -82.5 133.2 -85.9 66.2 86.2 15 16 A L S S+ 0 0 2 -11,-0.5 -1,-0.1 -2,-0.4 -10,-0.1 0.371 82.3 50.1 -95.0 4.4 -86.6 69.5 84.4 16 17 A N S S+ 0 0 47 -14,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.720 94.3 62.8-114.6 -30.0 -90.1 68.6 83.2 17 18 A E S S- 0 0 114 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.898 113.3 -14.9 -71.2 -42.5 -92.2 67.4 86.2 18 19 A K S S- 0 0 73 -4,-0.4 2,-0.3 245,-0.1 -1,-0.2 -0.992 74.0 -84.2-157.2 156.4 -92.1 70.6 88.3 19 20 A T - 0 0 3 -2,-0.3 2,-0.3 235,-0.2 222,-0.2 -0.559 53.8-129.0 -60.6 122.7 -90.5 74.0 88.9 20 21 A L E -b 241 0B 3 220,-2.4 222,-2.0 -2,-0.3 2,-0.6 -0.647 16.5-141.2 -86.3 133.3 -87.4 73.2 91.0 21 22 A I E -b 242 0B 2 -2,-0.3 36,-3.2 34,-0.3 37,-1.5 -0.831 10.4-163.9-102.9 122.9 -86.9 75.1 94.2 22 23 A M E -bc 243 58B 0 220,-2.9 222,-2.6 -2,-0.6 2,-0.4 -0.930 15.0-147.4-105.8 119.2 -83.5 76.2 95.3 23 24 A G E -bc 244 59B 0 35,-3.0 37,-2.9 -2,-0.6 2,-0.8 -0.711 10.6-130.8 -90.4 131.6 -83.4 77.3 99.0 24 25 A I E - c 0 60B 18 220,-2.6 2,-0.2 -2,-0.4 37,-0.1 -0.739 26.1-132.9 -86.8 112.2 -81.1 80.1 100.1 25 26 A L - 0 0 7 35,-2.1 2,-0.4 -2,-0.8 37,-0.3 -0.456 13.4-120.7 -70.7 127.7 -79.2 78.9 103.2 26 27 A N - 0 0 94 -2,-0.2 21,-0.1 17,-0.1 22,-0.1 -0.547 31.8-175.4 -63.0 121.9 -78.9 81.2 106.2 27 28 A V + 0 0 52 -2,-0.4 -1,-0.1 2,-0.0 17,-0.1 0.152 12.6 164.0-116.9 17.0 -75.1 81.6 106.5 28 29 A T - 0 0 103 1,-0.1 15,-0.1 15,-0.1 2,-0.1 -0.112 28.4-146.5 -45.5 114.9 -74.7 83.8 109.7 29 30 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.386 13.0-106.5 -85.1 163.5 -71.0 83.4 110.7 30 31 A D - 0 0 43 1,-0.1 3,-0.5 -2,-0.1 7,-0.1 -0.679 15.5-148.6 -84.6 143.0 -69.5 83.3 114.2 31 32 A S S S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.607 94.8 56.8 -86.5 -12.9 -67.5 86.4 115.3 32 33 A F S S+ 0 0 215 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.280 106.0 50.9-103.0 8.9 -65.1 84.4 117.4 33 34 A S - 0 0 32 -3,-0.5 3,-0.1 4,-0.0 -3,-0.0 -0.935 68.4-134.2-139.1 163.7 -63.9 82.0 114.7 34 35 A D S S- 0 0 102 1,-0.4 2,-0.1 -2,-0.3 36,-0.1 0.184 84.8 -55.1 -97.6 13.1 -62.4 82.0 111.2 35 36 A G S S+ 0 0 24 36,-0.1 -1,-0.4 -5,-0.0 36,-0.2 -0.251 106.3 64.0 129.1 148.7 -64.9 79.2 110.3 36 37 A G + 0 0 18 35,-0.3 263,-1.8 1,-0.2 264,-0.2 0.172 60.9 146.7 105.3 -15.0 -66.0 75.7 111.3 37 38 A S B > -J 298 0C 31 261,-0.2 4,-2.2 262,-0.1 5,-0.2 0.098 56.2-111.3 -61.9 168.2 -67.5 76.3 114.7 38 39 A Y H > S+ 0 0 12 259,-1.2 4,-2.0 2,-0.2 5,-0.3 0.868 112.7 46.2 -72.6 -44.6 -70.5 74.5 116.3 39 40 A N H > S+ 0 0 103 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.912 115.6 50.8 -63.1 -43.9 -73.2 77.3 116.4 40 41 A E H > S+ 0 0 8 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.961 117.4 34.4 -50.6 -63.7 -72.2 78.2 112.8 41 42 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.803 118.5 51.7 -74.4 -30.8 -72.5 74.7 111.2 42 43 A D H X S+ 0 0 20 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.897 107.8 50.7 -73.6 -41.6 -75.4 73.5 113.4 43 44 A A H X S+ 0 0 48 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.835 112.2 49.8 -65.3 -31.0 -77.6 76.5 112.6 44 45 A A H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.837 109.6 49.9 -74.4 -36.0 -76.9 75.9 108.9 45 46 A V H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.887 110.6 49.5 -69.3 -39.6 -77.8 72.2 109.2 46 47 A R H X S+ 0 0 137 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.877 111.7 49.9 -70.6 -31.7 -81.0 72.9 110.9 47 48 A H H X S+ 0 0 36 -4,-1.3 4,-2.9 -5,-0.2 -2,-0.2 0.923 110.1 48.7 -69.9 -43.8 -81.9 75.5 108.3 48 49 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 112.5 50.3 -58.2 -43.7 -81.1 73.1 105.4 49 50 A K H X S+ 0 0 77 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.896 110.7 48.7 -60.1 -43.5 -83.3 70.5 107.2 50 51 A E H X S+ 0 0 99 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.956 112.8 47.1 -63.1 -49.0 -86.1 73.0 107.6 51 52 A M H <>S+ 0 0 1 -4,-2.9 5,-2.4 1,-0.2 4,-0.5 0.861 110.1 53.2 -62.2 -36.3 -85.9 74.0 103.9 52 53 A R H ><5S+ 0 0 87 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.879 110.2 49.1 -64.8 -37.5 -85.8 70.3 102.9 53 54 A D H 3<5S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.763 107.8 54.2 -69.3 -29.4 -89.0 69.8 104.9 54 55 A E T 3<5S- 0 0 67 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.424 130.3 -81.5 -93.2 -1.0 -90.7 72.8 103.3 55 56 A G T < 5S+ 0 0 22 -3,-0.7 -34,-0.3 -4,-0.5 -3,-0.2 0.457 73.2 150.3 120.1 4.6 -90.3 71.7 99.7 56 57 A A < - 0 0 6 -5,-2.4 -1,-0.3 1,-0.1 -34,-0.2 -0.364 25.2-171.4 -67.8 144.7 -86.7 72.7 98.6 57 58 A H S S+ 0 0 33 -36,-3.2 2,-0.3 1,-0.3 -35,-0.2 0.532 73.7 30.2-110.2 -13.7 -85.0 70.6 95.9 58 59 A I E -c 22 0B 1 -37,-1.5 -35,-3.0 27,-0.1 2,-0.5 -0.994 67.9-141.1-146.1 142.7 -81.6 72.2 96.2 59 60 A I E -cd 23 87B 0 27,-2.3 29,-2.5 -2,-0.3 2,-0.6 -0.949 15.8-153.1-108.0 122.1 -79.6 73.9 99.0 60 61 A D E -cd 24 88B 2 -37,-2.9 -35,-2.1 -2,-0.5 2,-0.5 -0.832 11.9-169.2 -97.4 118.9 -77.6 77.0 98.0 61 62 A I E d 0 89B 0 27,-3.1 29,-2.4 -2,-0.6 -35,-0.1 -0.923 360.0 360.0-118.4 117.1 -74.6 77.7 100.2 62 63 A G 0 0 36 -2,-0.5 -1,-0.1 -37,-0.3 -36,-0.1 0.557 360.0 360.0-130.1 360.0 -72.6 81.0 100.0 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 75 A S > 0 0 104 0, 0.0 4,-2.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-175.6 -60.9 87.0 101.4 65 76 A V H > + 0 0 49 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.860 360.0 52.7 -56.1 -43.4 -60.4 83.8 99.4 66 77 A E H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.924 114.3 41.6 -62.2 -45.9 -58.5 81.9 102.1 67 78 A E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.849 104.4 65.5 -68.9 -38.6 -61.3 82.5 104.7 68 79 A E H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.859 105.6 45.1 -53.7 -39.1 -64.1 81.9 102.2 69 80 A I H X S+ 0 0 21 -4,-1.3 4,-2.2 -3,-0.2 -1,-0.2 0.910 109.8 54.3 -69.8 -44.6 -63.0 78.3 102.0 70 81 A K H < S+ 0 0 119 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.773 116.9 38.7 -60.8 -29.0 -62.5 77.9 105.7 71 82 A R H X S+ 0 0 89 -4,-2.0 4,-0.7 -36,-0.2 -35,-0.3 0.871 121.9 38.1 -87.5 -43.6 -66.1 79.1 106.3 72 83 A V H X S+ 0 0 1 -4,-2.3 4,-1.4 -5,-0.2 3,-0.2 0.885 105.3 62.9 -83.7 -39.9 -68.0 77.4 103.4 73 84 A V H >X S+ 0 0 23 -4,-2.2 4,-2.0 -5,-0.2 3,-0.6 0.907 102.3 50.2 -51.5 -52.0 -66.3 73.9 103.2 74 85 A P H 3> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.870 108.3 53.8 -58.7 -37.9 -67.3 72.8 106.7 75 86 A M H 3X S+ 0 0 3 -4,-0.7 4,-1.9 -3,-0.2 -2,-0.2 0.812 108.5 49.4 -64.1 -32.5 -71.0 73.7 106.0 76 87 A I H - 0 0 36 1,-0.1 4,-2.3 23,-0.1 5,-0.1 -0.637 64.0-147.3 -87.5 133.4 -64.0 82.3 92.5 94 105 A A H > S+ 0 0 12 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.938 98.6 48.5 -63.6 -49.5 -62.3 79.3 90.9 95 106 A E H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.6 49.2 -60.3 -42.4 -60.4 78.2 93.9 96 107 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.4 50.5 -60.9 -48.9 -63.5 78.4 96.1 97 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.902 107.8 53.8 -57.3 -45.5 -65.6 76.4 93.7 98 109 A K H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.951 111.0 44.9 -52.8 -55.6 -62.9 73.6 93.5 99 110 A Q H X S+ 0 0 64 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.875 111.1 54.1 -56.3 -43.9 -62.8 73.2 97.3 100 111 A A H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 4,-0.4 0.862 110.0 44.6 -64.7 -42.8 -66.6 73.2 97.6 101 112 A I H ><5S+ 0 0 23 -4,-2.1 3,-1.0 3,-0.3 -1,-0.2 0.897 113.3 51.9 -66.5 -42.1 -67.1 70.4 95.1 102 113 A E H 3<5S+ 0 0 130 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.912 109.3 51.4 -56.0 -42.4 -64.3 68.5 96.7 103 114 A A T 3<5S- 0 0 15 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.578 137.6 -84.9 -72.6 -11.9 -66.2 69.1 100.0 104 115 A G T < 5S+ 0 0 22 -3,-1.0 -17,-0.3 -4,-0.4 -3,-0.3 0.469 76.0 145.9 123.4 3.3 -69.4 67.7 98.4 105 116 A A < - 0 0 3 -5,-3.0 -1,-0.3 -8,-0.1 -17,-0.2 -0.479 27.8-165.3 -72.8 144.2 -71.1 70.5 96.4 106 117 A H + 0 0 27 -19,-3.0 2,-0.3 -2,-0.2 -18,-0.2 0.719 63.8 34.8-103.1 -28.5 -73.0 69.4 93.2 107 118 A I E -e 88 0B 1 -20,-2.1 -18,-2.5 22,-0.2 2,-0.4 -0.946 68.3-131.8-133.4 146.3 -73.7 72.6 91.3 108 119 A I E -ef 89 131B 0 22,-2.5 24,-2.8 -2,-0.3 2,-0.4 -0.853 11.3-164.9-100.9 142.7 -71.9 75.9 90.7 109 120 A N E - f 0 132B 3 -20,-2.5 2,-0.5 -2,-0.4 -18,-0.2 -0.810 13.4-176.9-126.0 85.4 -73.8 79.2 91.1 110 121 A D E > - f 0 133B 0 22,-1.7 24,-1.5 -2,-0.4 3,-0.6 -0.760 18.9-167.0 -92.7 123.1 -71.6 82.0 89.5 111 122 A I T 3 S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.2 -19,-0.1 0.462 92.4 49.2 -85.8 -2.1 -72.9 85.6 89.8 112 123 A W T > S- 0 0 71 -21,-0.1 3,-2.3 24,-0.1 -1,-0.2 0.274 104.4-127.0-117.5 8.4 -70.3 86.7 87.2 113 124 A G T < S- 0 0 0 -3,-0.6 46,-0.2 1,-0.3 20,-0.1 0.882 71.1 -53.8 46.7 51.4 -71.1 84.0 84.6 114 125 A A T 3 S+ 0 0 0 1,-0.1 -1,-0.3 3,-0.1 7,-0.2 0.473 120.2 106.3 67.4 5.9 -67.4 82.9 84.4 115 126 A K S < S+ 0 0 69 -3,-2.3 -2,-0.1 2,-0.2 -1,-0.1 0.781 74.8 49.5 -86.5 -29.1 -66.3 86.5 83.6 116 127 A A S S+ 0 0 47 1,-0.2 -1,-0.1 -4,-0.1 3,-0.1 0.909 133.8 9.5 -75.4 -44.9 -64.7 87.3 87.0 117 128 A E > - 0 0 64 -25,-0.3 3,-3.3 1,-0.1 4,-0.3 -0.672 66.6-173.7-137.7 83.0 -62.6 84.1 87.1 118 129 A P T >> S+ 0 0 59 0, 0.0 3,-1.8 0, 0.0 4,-0.8 0.758 81.5 73.4 -47.1 -31.8 -62.8 82.3 83.7 119 130 A K H 3> S+ 0 0 121 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.758 81.0 73.6 -55.1 -26.3 -60.8 79.4 85.3 120 131 A I H <> S+ 0 0 0 -3,-3.3 4,-2.3 1,-0.2 -1,-0.3 0.840 90.1 56.8 -58.6 -34.7 -64.1 78.5 87.1 121 132 A A H <> S+ 0 0 0 -3,-1.8 4,-3.0 -4,-0.3 5,-0.3 0.948 105.4 50.7 -60.4 -46.8 -65.4 77.2 83.9 122 133 A E H X S+ 0 0 99 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.865 108.8 51.9 -58.2 -39.6 -62.4 74.8 83.7 123 134 A V H X S+ 0 0 21 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.906 112.1 46.8 -59.0 -44.2 -63.2 73.8 87.3 124 135 A A H X>S+ 0 0 1 -4,-2.3 5,-1.6 2,-0.2 4,-0.8 0.908 114.3 44.9 -68.0 -45.6 -66.8 73.1 86.2 125 136 A A H <5S+ 0 0 21 -4,-3.0 3,-0.3 3,-0.2 -2,-0.2 0.921 112.6 54.9 -61.4 -46.1 -65.9 71.1 83.1 126 137 A H H <5S+ 0 0 153 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.955 116.1 33.3 -51.7 -63.0 -63.3 69.2 85.1 127 138 A Y H <5S- 0 0 67 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.493 105.7-129.7 -77.0 -3.5 -65.6 67.9 87.8 128 139 A D T <5 + 0 0 77 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.869 54.5 148.8 59.8 41.0 -68.4 67.7 85.2 129 140 A V < - 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