==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE (SYNTHETASE) 14-SEP-95 1ADE . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.M.SILVA,B.W.POLAND,C.M.HOFFMAN,H.J.FROMM,R.B.HONZATKO . 862 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 69 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 1 1 0 2 1 3 4 1 2 3 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 3 6 5 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 . 4 2 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 G 0 0 20 0, 0.0 430,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 93.3 4.6 16.0 10.2 2 2 A N + 0 0 57 1,-0.2 216,-2.1 215,-0.1 2,-0.7 0.939 360.0 48.3 -70.5 -51.1 2.4 18.8 8.9 3 3 A N E S-a 218 0A 3 255,-0.3 258,-1.9 214,-0.2 257,-1.2 -0.865 74.9-178.7 -97.4 109.0 -0.9 17.8 10.6 4 4 A V E -ab 219 261A 0 214,-2.5 216,-3.1 -2,-0.7 2,-0.4 -0.899 14.5-158.5-112.3 139.7 -0.3 16.9 14.3 5 5 A V E -ab 220 262A 0 256,-2.0 258,-3.7 -2,-0.4 2,-0.4 -0.950 7.8-166.1-116.1 133.6 -2.9 15.7 16.8 6 6 A V E +ab 221 263A 1 214,-2.4 216,-2.6 -2,-0.4 2,-0.3 -0.995 20.8 149.3-125.9 125.3 -2.2 16.2 20.6 7 7 A L E - b 0 264A 0 256,-2.0 258,-2.7 -2,-0.4 2,-0.2 -0.990 48.3 -98.9-153.9 152.9 -4.3 14.4 23.2 8 8 A G E - b 0 265A 1 216,-0.4 218,-1.5 -2,-0.3 258,-0.2 -0.553 27.3-155.9 -72.6 141.1 -4.0 12.9 26.7 9 9 A T S S+ 0 0 0 256,-2.4 -1,-0.1 -2,-0.2 257,-0.1 0.624 71.8 38.3 -95.1 -8.6 -3.5 9.2 26.7 10 10 A Q S S- 0 0 7 255,-0.3 217,-1.9 216,-0.1 218,-0.4 0.362 119.7 -48.3-109.4-125.9 -4.9 8.1 30.1 11 11 A W S S- 0 0 10 260,-0.5 262,-0.4 1,-0.5 214,-0.1 -0.169 92.9 -82.1-110.2 36.7 -7.9 9.4 32.0 12 12 A G S S+ 0 0 13 212,-0.1 -1,-0.5 260,-0.1 259,-0.2 -0.151 102.3 80.9 89.3 169.9 -7.3 13.1 31.7 13 13 A D + 0 0 37 -3,-0.1 -1,-0.0 1,-0.1 211,-0.0 0.786 51.1 134.2 64.0 29.2 -5.0 15.4 33.7 14 14 A E S S- 0 0 6 251,-0.1 254,-0.1 253,-0.1 -1,-0.1 0.716 79.0-101.0 -79.3 -23.4 -1.8 14.3 31.8 15 15 A G > + 0 0 37 250,-0.1 4,-0.7 252,-0.1 3,-0.3 0.772 63.4 155.8 105.4 39.9 -0.6 17.9 31.4 16 16 A K H > + 0 0 34 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.707 58.0 81.5 -69.5 -16.7 -1.5 18.7 27.9 17 17 A G H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 92.3 39.0 -56.9 -58.8 -1.5 22.4 28.8 18 18 A K H > S+ 0 0 35 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.893 117.2 51.3 -59.4 -44.1 2.2 23.3 28.6 19 19 A I H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.875 106.7 52.9 -61.2 -43.6 2.8 21.2 25.5 20 20 A V H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.965 109.7 48.9 -56.0 -51.6 -0.1 22.7 23.6 21 21 A D H < S+ 0 0 46 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.887 109.0 55.2 -56.1 -41.0 1.2 26.2 24.2 22 22 A L H >< S+ 0 0 18 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.908 107.5 45.5 -58.8 -51.1 4.6 25.0 23.1 23 23 A L H >X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.3 3,-1.0 0.659 96.0 77.1 -70.4 -16.1 3.6 23.7 19.7 24 24 A T T 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.769 81.0 72.1 -64.6 -21.2 1.6 26.8 19.2 25 25 A E T <4 S+ 0 0 124 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.817 112.5 22.3 -64.6 -33.0 4.9 28.5 18.4 26 26 A R T <4 S+ 0 0 103 -3,-1.0 191,-0.3 -4,-0.2 -1,-0.2 0.591 103.4 97.3-107.6 -20.1 5.3 26.8 15.0 27 27 A A < - 0 0 3 -4,-1.8 191,-0.2 1,-0.1 3,-0.1 -0.446 49.1-169.0 -69.8 141.6 1.6 25.9 14.3 28 28 A K S S+ 0 0 62 189,-3.0 37,-2.9 1,-0.3 2,-0.4 0.690 77.2 33.8-103.0 -21.8 -0.2 28.3 12.0 29 29 A Y E -cd 65 218A 32 188,-1.3 190,-2.5 35,-0.2 2,-0.4 -0.983 65.2-165.4-129.5 140.7 -3.7 26.9 12.7 30 30 A V E -cd 66 219A 0 35,-2.3 37,-3.1 -2,-0.4 2,-0.4 -0.999 14.3-165.8-127.6 125.9 -5.0 25.3 15.9 31 31 A V E -cd 67 220A 0 188,-2.5 190,-3.0 -2,-0.4 2,-0.4 -0.965 17.8-157.6-125.4 126.3 -8.1 23.3 15.7 32 32 A R E +cd 68 221A 2 35,-2.5 37,-2.7 -2,-0.4 40,-0.3 -0.844 19.9 170.6 -90.7 134.7 -10.6 22.0 18.4 33 33 A Y + 0 0 2 188,-0.8 2,-0.3 -2,-0.4 -1,-0.1 0.472 52.0 27.7-128.9 -4.3 -12.5 19.0 17.0 34 34 A Q S S+ 0 0 10 187,-0.4 189,-0.3 2,-0.1 38,-0.2 -0.976 91.0 24.5-152.9 165.2 -14.4 17.4 19.8 35 35 A G S S- 0 0 0 36,-0.5 38,-2.5 -2,-0.3 2,-0.2 -0.433 70.2-108.2 81.7-150.9 -16.1 18.0 23.1 36 36 A G - 0 0 0 36,-0.2 2,-2.0 -2,-0.1 3,-0.4 -0.470 67.0 -23.4-149.7-142.1 -17.4 21.3 24.3 37 37 A H S S+ 0 0 27 1,-0.2 17,-0.3 36,-0.2 16,-0.1 -0.462 106.1 92.0 -84.0 65.2 -16.5 24.1 26.7 38 38 A N + 0 0 22 -2,-2.0 -1,-0.2 15,-0.8 16,-0.1 0.134 39.0 119.1-142.9 20.4 -14.6 21.7 28.9 39 39 A A - 0 0 6 14,-2.4 14,-0.2 -3,-0.4 3,-0.1 0.847 54.6-157.0 -61.2 -35.2 -11.0 22.1 27.6 40 40 A G + 0 0 26 1,-0.2 2,-1.5 11,-0.0 13,-0.2 0.813 22.2 169.9 61.6 37.3 -9.7 23.3 30.9 41 41 A H E -J 52 0B 4 11,-2.7 11,-2.1 -25,-0.1 2,-0.2 -0.620 17.3-162.8 -84.0 88.2 -6.6 25.2 29.5 42 42 A T E +J 51 0B 57 -2,-1.5 2,-0.3 9,-0.2 9,-0.2 -0.543 21.4 157.3 -71.2 136.5 -5.5 27.1 32.6 43 43 A L E -J 50 0B 14 7,-3.4 7,-3.5 -2,-0.2 2,-0.7 -0.986 47.2-113.5-157.0 163.8 -3.1 29.9 31.8 44 44 A V E -J 49 0B 93 -2,-0.3 2,-0.6 5,-0.3 5,-0.3 -0.916 36.5-173.5-103.5 106.4 -1.6 33.2 33.0 45 45 A I E > -J 48 0B 10 3,-2.1 3,-0.8 -2,-0.7 -2,-0.0 -0.919 66.9 -21.1-107.7 118.7 -2.9 35.9 30.6 46 46 A N T 3 S- 0 0 132 -2,-0.6 2,-1.1 1,-0.3 -1,-0.2 0.938 129.3 -45.7 51.1 55.0 -1.4 39.4 31.0 47 47 A G T 3 S+ 0 0 69 -3,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.432 122.5 82.3 93.1 -63.0 -0.3 38.9 34.6 48 48 A E E < S-J 45 0B 154 -2,-1.1 -3,-2.1 -3,-0.8 2,-0.5 -0.499 79.7-112.3 -84.7 149.8 -3.4 37.2 36.1 49 49 A K E +J 44 0B 157 -5,-0.3 -5,-0.3 -2,-0.2 2,-0.2 -0.679 44.1 161.9 -84.4 125.3 -4.3 33.4 36.0 50 50 A T E -J 43 0B 26 -7,-3.5 -7,-3.4 -2,-0.5 2,-0.4 -0.819 30.3-123.2-135.9 170.8 -7.4 32.5 33.9 51 51 A V E -J 42 0B 54 -2,-0.2 2,-0.5 -9,-0.2 -9,-0.2 -0.968 10.5-161.7-124.2 132.0 -9.0 29.4 32.3 52 52 A L E +J 41 0B 3 -11,-2.1 -11,-2.7 -2,-0.4 5,-0.1 -0.959 16.4 166.4-112.7 125.6 -10.0 28.9 28.6 53 53 A H S S+ 0 0 53 -2,-0.5 -14,-2.4 -13,-0.2 -15,-0.8 0.631 77.8 15.5-106.5 -28.4 -12.4 26.0 28.1 54 54 A L S S+ 0 0 1 -17,-0.3 -2,-0.1 1,-0.2 25,-0.1 0.720 107.8 70.4-114.3 -56.7 -13.6 26.7 24.5 55 55 A I S S- 0 0 4 1,-0.1 -1,-0.2 24,-0.1 13,-0.0 -0.516 89.6-113.5 -70.7 126.7 -11.4 29.2 22.7 56 56 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.216 17.5-117.0 -59.8 154.5 -8.1 27.5 21.9 57 57 A S G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.709 108.4 78.8 -64.0 -20.6 -4.9 28.8 23.6 58 58 A G G > + 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.625 69.2 84.9 -65.1 -9.4 -3.6 29.7 20.2 59 59 A I G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.713 82.1 63.9 -65.0 -16.8 -5.8 32.7 20.4 60 60 A L G < S+ 0 0 54 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.3 0.639 85.6 85.7 -82.4 -16.1 -2.9 34.3 22.2 61 61 A R S X S- 0 0 72 -3,-1.6 3,-1.0 -4,-0.2 -36,-0.0 -0.723 75.9-129.3 -95.0 143.5 -0.4 34.2 19.4 62 62 A E T 3 S+ 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.910 99.1 23.3 -49.9 -63.7 -0.2 36.9 16.7 63 63 A N T 3 S+ 0 0 118 2,-0.1 2,-0.4 -34,-0.0 -1,-0.2 0.087 96.0 109.4-102.8 30.3 -0.2 35.1 13.4 64 64 A V < - 0 0 2 -3,-1.0 2,-0.6 -6,-0.3 -35,-0.2 -0.808 56.9-144.6-102.8 139.4 -2.0 31.8 14.5 65 65 A T E -c 29 0A 37 -37,-2.9 -35,-2.3 -2,-0.4 2,-0.4 -0.925 11.3-153.2-109.5 117.2 -5.6 31.1 13.4 66 66 A S E -ce 30 97A 0 30,-2.5 32,-2.2 -2,-0.6 2,-0.4 -0.724 13.9-169.0 -90.6 134.9 -7.8 29.3 15.9 67 67 A I E -ce 31 98A 0 -37,-3.1 -35,-2.5 -2,-0.4 2,-0.6 -0.967 19.9-155.3-129.6 141.8 -10.6 27.1 14.6 68 68 A I E -ce 32 99A 1 30,-2.0 32,-1.1 -2,-0.4 -35,-0.2 -0.960 27.3-150.4-112.5 107.5 -13.6 25.4 16.3 69 69 A G > - 0 0 0 -37,-2.7 3,-1.4 -2,-0.6 183,-0.2 -0.231 29.1 -98.4 -72.6 175.2 -14.6 22.5 14.0 70 70 A N T 3 S+ 0 0 4 1,-0.3 182,-0.2 33,-0.1 181,-0.1 0.684 115.6 73.4 -66.2 -22.8 -18.1 21.0 13.7 71 71 A G T 3 S+ 0 0 12 180,-2.3 -36,-0.5 -39,-0.2 2,-0.3 0.712 81.7 86.7 -64.7 -20.7 -17.3 18.3 16.1 72 72 A V S < S- 0 0 0 -3,-1.4 2,-0.6 179,-0.3 -36,-0.2 -0.646 79.7-131.6 -84.2 133.6 -17.5 20.8 19.0 73 73 A V - 0 0 0 -38,-2.5 2,-0.7 -2,-0.3 32,-0.2 -0.793 30.7-139.7 -85.4 120.6 -20.9 21.5 20.6 74 74 A L B -k 105 0C 0 30,-3.6 32,-2.0 -2,-0.6 3,-0.1 -0.765 18.8-168.5 -93.7 113.9 -21.0 25.3 20.7 75 75 A S > - 0 0 12 -2,-0.7 4,-2.6 30,-0.2 5,-0.2 -0.837 7.2-161.4 -97.5 108.1 -22.4 27.2 23.7 76 76 A P H > S+ 0 0 13 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.868 91.1 54.3 -56.4 -37.5 -22.8 30.9 22.7 77 77 A A H > S+ 0 0 70 29,-0.3 4,-2.1 2,-0.2 5,-0.1 0.939 111.2 43.9 -64.2 -46.2 -22.9 32.0 26.4 78 78 A A H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.922 115.0 49.5 -64.3 -42.1 -19.6 30.3 27.1 79 79 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 110.6 50.5 -59.7 -48.0 -18.1 31.7 23.9 80 80 A M H X S+ 0 0 63 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.903 109.2 52.2 -59.3 -40.6 -19.3 35.2 24.7 81 81 A K H X S+ 0 0 113 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.982 112.2 41.7 -60.8 -63.0 -17.8 35.0 28.2 82 82 A E H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.800 113.8 55.7 -54.7 -35.1 -14.3 34.0 27.2 83 83 A M H X S+ 0 0 11 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.999 110.0 44.1 -60.4 -62.1 -14.4 36.5 24.3 84 84 A K H X S+ 0 0 113 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 113.3 51.1 -47.5 -56.1 -15.2 39.4 26.6 85 85 A E H X S+ 0 0 55 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.889 114.9 42.8 -51.0 -46.3 -12.6 38.4 29.1 86 86 A L H <>S+ 0 0 4 -4,-2.4 5,-2.3 1,-0.2 -1,-0.2 0.853 109.8 55.1 -69.5 -37.9 -10.0 38.1 26.4 87 87 A E H ><5S+ 0 0 66 -4,-3.1 3,-2.3 3,-0.2 -1,-0.2 0.903 102.0 61.3 -60.8 -40.1 -11.0 41.4 24.7 88 88 A D H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.916 102.0 49.6 -50.3 -50.1 -10.5 43.0 28.1 89 89 A R T 3<5S- 0 0 81 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.289 128.9-100.6 -75.3 10.7 -6.8 42.1 28.1 90 90 A G T < 5S+ 0 0 58 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.784 71.6 149.3 77.9 26.8 -6.6 43.5 24.6 91 91 A I < - 0 0 24 -5,-2.3 2,-2.3 -8,-0.2 3,-0.2 -0.828 46.5-137.7 -93.1 121.9 -6.8 40.3 22.6 92 92 A P >> + 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.421 37.7 163.4 -78.9 74.8 -8.4 40.8 19.2 93 93 A V H >> + 0 0 0 -2,-2.3 3,-2.3 1,-0.3 4,-1.3 0.931 63.9 63.3 -56.7 -51.3 -10.5 37.5 19.3 94 94 A R H 34 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.2 -11,-0.0 0.611 107.8 43.9 -52.2 -16.8 -12.9 38.4 16.6 95 95 A E H <4 S+ 0 0 156 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.526 114.6 45.6-109.0 -3.9 -10.1 38.5 14.0 96 96 A R H << S+ 0 0 29 -3,-2.3 -30,-2.5 -4,-0.6 2,-0.4 0.427 99.8 78.3-116.2 0.3 -8.2 35.3 15.1 97 97 A L E < -e 66 0A 2 -4,-1.3 2,-0.3 -32,-0.2 -30,-0.2 -0.917 50.9-176.0-121.9 136.5 -11.1 32.9 15.5 98 98 A L E -e 67 0A 47 -32,-2.2 -30,-2.0 -2,-0.4 2,-0.3 -0.957 7.7-158.2-126.6 149.3 -13.2 30.9 12.9 99 99 A L E -ef 68 201A 0 101,-2.9 103,-2.3 -2,-0.3 2,-0.4 -0.844 18.7-120.8-125.5 155.4 -16.2 28.7 13.4 100 100 A S > - 0 0 12 -32,-1.1 3,-1.6 -2,-0.3 48,-0.3 -0.809 17.6-135.4 -94.2 140.7 -17.8 25.9 11.4 101 101 A E T 3 S+ 0 0 20 101,-0.5 48,-2.7 -2,-0.4 49,-0.2 0.676 102.4 63.7 -66.5 -15.0 -21.4 26.4 10.3 102 102 A A T 3 + 0 0 6 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.423 69.1 121.4 -94.2 0.3 -22.1 22.8 11.4 103 103 A C < - 0 0 0 -3,-1.6 45,-2.0 -35,-0.1 2,-0.2 -0.445 65.2-123.6 -64.0 131.7 -21.3 23.2 15.1 104 104 A P B -L 147 0D 5 0, 0.0 -30,-3.6 0, 0.0 2,-0.4 -0.594 25.0-122.8 -76.7 143.6 -24.4 22.2 17.2 105 105 A L B -k 74 0C 3 41,-2.6 2,-0.6 -2,-0.2 41,-0.3 -0.751 11.9-152.6 -93.2 133.0 -25.7 24.9 19.6 106 106 A I + 0 0 5 -32,-2.0 -29,-0.3 -2,-0.4 2,-0.2 -0.932 27.2 178.5-101.9 120.7 -26.0 24.4 23.4 107 107 A L >> - 0 0 12 -2,-0.6 3,-2.5 25,-0.1 4,-1.0 -0.744 45.0 -81.9-120.3 172.5 -28.7 26.7 24.7 108 108 A D H >> S+ 0 0 70 1,-0.3 4,-2.3 -2,-0.2 3,-0.7 0.845 124.5 57.2 -39.9 -50.0 -30.3 27.3 28.1 109 109 A Y H 3> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.785 101.3 59.6 -59.3 -23.1 -32.7 24.3 27.9 110 110 A H H <> S+ 0 0 2 -3,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.905 106.0 44.6 -73.3 -39.9 -29.7 22.1 27.4 111 111 A V H X S+ 0 0 58 -4,-1.2 4,-1.4 -5,-0.2 3,-0.8 0.934 117.0 37.6 -82.8 -53.9 -28.1 14.8 37.5 119 119 A K H 3< S+ 0 0 161 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.623 108.0 65.8 -73.9 -14.2 -30.4 15.7 40.4 120 120 A A T 3< S+ 0 0 69 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.778 103.4 47.9 -76.2 -28.3 -33.1 13.3 39.2 121 121 A R T X4 S+ 0 0 81 -3,-0.8 3,-1.4 -4,-0.4 2,-0.4 0.876 83.8 164.2 -75.1 -46.3 -30.6 10.4 39.9 122 122 A G G >< + 0 0 41 -4,-1.4 3,-1.7 1,-0.3 -1,-0.2 -0.452 69.0 20.8 69.0-117.2 -29.8 11.8 43.3 123 123 A A G 3 S+ 0 0 113 -2,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.874 130.7 50.0 -49.9 -42.9 -28.0 9.1 45.3 124 124 A K G < S+ 0 0 160 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 -0.172 83.0 151.8 -90.8 36.7 -27.1 7.3 42.1 125 125 A A < - 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0 0 103 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 -0.554 15.6-154.1 -73.6 119.2 -38.6 30.8 28.4 183 183 A Y H > S+ 0 0 51 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.918 92.9 52.5 -53.7 -48.0 -38.5 30.6 24.7 184 184 A Q H > S+ 0 0 87 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.858 107.2 52.3 -63.1 -36.8 -38.3 34.4 24.2 185 185 A K H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 112.2 44.5 -63.7 -49.4 -35.4 34.8 26.5 186 186 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.907 115.7 49.2 -60.3 -40.3 -33.4 32.1 24.6 187 187 A L H X S+ 0 0 18 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.963 113.8 44.3 -63.5 -52.5 -34.5 33.7 21.3 188 188 A D H X S+ 0 0 88 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.901 112.5 52.4 -60.3 -45.1 -33.5 37.2 22.4 189 189 A D H X S+ 0 0 87 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.920 116.0 39.5 -56.6 -47.2 -30.1 36.0 23.9 190 190 A T H >X S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.2 3,-1.6 0.940 110.4 56.6 -70.1 -48.6 -29.1 34.2 20.7 191 191 A M H 3X S+ 0 0 51 -4,-2.8 4,-0.5 1,-0.3 -1,-0.2 0.781 102.4 61.5 -55.2 -24.4 -30.4 36.8 18.3 192 192 A A H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.758 115.3 28.2 -73.4 -33.6 -28.1 39.2 20.1 193 193 A V H < S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.900 111.4 50.5 -59.0 -50.5 -21.2 34.3 15.4 198 198 A T H >< S+ 0 0 20 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.813 101.5 64.7 -62.2 -26.5 -22.1 34.2 11.7 199 199 A S T 3< S+ 0 0 75 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.629 101.4 49.4 -73.9 -11.5 -19.3 36.6 11.0 200 200 A M T < S+ 0 0 2 -3,-1.6 -101,-2.9 -4,-0.4 2,-0.3 0.330 84.6 120.0-105.3 7.2 -16.7 34.1 12.1 201 201 A V B < +f 99 0A 24 -3,-1.5 2,-0.3 -103,-0.2 -101,-0.2 -0.577 35.0 163.3 -78.4 129.9 -18.2 31.3 9.9 202 202 A V - 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