==== 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 LIGASE 31-MAR-99 1CH8 . COMPND 2 MOLECULE: PROTEIN (ADENYLOSUCCINATE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.HOU,M.CASHEL,H.J.FROMM,R.B.HONZATKO . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 3 0 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 . 3 1 2 0 1 0 0 1 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 . 1 1 1 0 0 0 0 0 1 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 19 0, 0.0 430,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.7 -6.5 24.5 45.2 2 2 A N + 0 0 61 1,-0.2 216,-2.9 215,-0.1 2,-0.6 0.855 360.0 46.4 -78.2 -41.8 -8.8 25.1 42.2 3 3 A N E S-a 218 0A 4 214,-0.2 257,-1.7 255,-0.1 258,-1.3 -0.933 73.6-175.0-108.3 114.1 -10.5 28.2 43.7 4 4 A V E -ab 219 261A 0 214,-3.1 216,-3.2 -2,-0.6 2,-0.4 -0.911 10.9-154.2-111.9 135.9 -8.1 30.8 45.1 5 5 A V E -ab 220 262A 0 256,-2.5 258,-3.4 -2,-0.4 2,-0.4 -0.914 8.6-172.4-110.5 132.6 -9.2 33.9 47.0 6 6 A V E +ab 221 263A 0 214,-2.6 216,-2.8 -2,-0.4 2,-0.2 -0.977 20.7 151.0-126.4 114.2 -6.9 36.9 47.1 7 7 A L E - b 0 264A 0 256,-1.7 258,-2.8 -2,-0.4 2,-0.5 -0.795 47.1 -84.9-135.9 176.1 -7.9 39.9 49.3 8 8 A G E - b 0 265A 0 215,-0.3 218,-2.3 235,-0.3 258,-0.1 -0.757 24.1-165.2 -89.3 130.0 -6.6 42.7 51.4 9 9 A T S S+ 0 0 1 256,-2.0 309,-0.3 -2,-0.5 -1,-0.1 0.566 78.2 23.7 -89.5 -7.4 -5.5 42.0 54.9 10 10 A Q S S- 0 0 8 255,-0.3 217,-2.6 214,-0.2 218,-0.4 0.384 124.4 -40.4-119.6-110.3 -5.3 45.6 56.1 11 11 A W S S- 0 0 6 1,-0.5 262,-0.4 260,-0.4 214,-0.2 -0.141 92.1 -84.3-122.4 38.2 -7.1 48.7 54.7 12 12 A G S S+ 0 0 2 212,-0.3 -1,-0.5 211,-0.1 259,-0.2 -0.031 102.8 73.7 81.5 166.8 -6.8 48.1 51.0 13 13 A D + 0 0 42 211,-0.2 212,-0.1 1,-0.1 -1,-0.0 0.781 52.4 135.1 59.7 31.4 -4.0 49.0 48.6 14 14 A E S S- 0 0 0 210,-0.3 254,-0.1 251,-0.1 -1,-0.1 0.669 87.8 -85.6 -78.7 -21.4 -1.9 46.1 49.9 15 15 A G S > S+ 0 0 27 250,-0.1 4,-1.5 252,-0.1 5,-0.1 0.635 76.8 147.8 120.4 33.6 -1.1 45.2 46.3 16 16 A K H > + 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 66.8 57.9 -64.0 -45.1 -4.0 43.0 45.1 17 17 A G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 107.2 46.3 -53.0 -51.9 -4.0 44.1 41.4 18 18 A K H > S+ 0 0 17 24,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.944 115.1 46.9 -56.7 -50.9 -0.4 43.1 40.7 19 19 A I H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.889 111.6 49.7 -62.1 -40.4 -0.8 39.7 42.5 20 20 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.950 112.1 48.8 -64.4 -45.6 -4.1 38.9 40.8 21 21 A D H < S+ 0 0 2 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.957 115.0 46.3 -55.4 -50.3 -2.5 39.7 37.4 22 22 A L H >< S+ 0 0 27 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.931 116.1 42.1 -57.4 -54.9 0.5 37.5 38.2 23 23 A L H >< S+ 0 0 3 -4,-3.1 3,-1.3 1,-0.2 4,-0.3 0.678 96.2 76.2 -73.4 -17.1 -1.4 34.5 39.5 24 24 A T T 3< + 0 0 0 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.525 66.4 96.6 -73.1 1.3 -4.1 34.5 36.8 25 25 A E T < S+ 0 0 133 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.745 95.2 33.2 -59.8 -25.0 -1.5 33.0 34.4 26 26 A R S < S+ 0 0 96 -3,-1.3 191,-0.3 192,-0.0 -1,-0.2 0.564 103.1 98.4-108.7 -7.9 -3.0 29.6 35.3 27 27 A A - 0 0 1 -3,-0.4 191,-0.2 -4,-0.3 3,-0.1 -0.362 50.1-163.9 -86.3 156.6 -6.6 30.6 35.8 28 28 A K S S+ 0 0 100 189,-2.4 37,-3.7 1,-0.2 2,-0.3 0.772 82.1 35.2 -97.6 -44.6 -9.7 30.4 33.5 29 29 A Y E -cd 65 218A 33 188,-1.8 190,-2.5 35,-0.2 2,-0.4 -0.857 54.6-173.7-119.8 149.9 -11.7 32.7 35.7 30 30 A V E -cd 66 219A 0 35,-1.8 37,-1.8 -2,-0.3 2,-0.4 -0.985 16.7-165.6-133.3 136.8 -11.2 35.9 37.8 31 31 A V E -cd 67 220A 0 188,-2.2 190,-3.6 -2,-0.4 2,-0.5 -0.992 18.1-158.2-136.6 125.1 -14.1 37.2 39.8 32 32 A R E +cd 68 221A 0 35,-2.5 37,-2.9 -2,-0.4 40,-0.3 -0.874 18.0 178.8 -91.1 133.8 -14.6 40.6 41.6 33 33 A Y + 0 0 1 188,-0.9 2,-0.3 -2,-0.5 -1,-0.1 0.389 55.0 15.3-122.2 0.4 -17.3 39.9 44.2 34 34 A Q S S+ 0 0 5 187,-0.4 38,-0.3 37,-0.1 -1,-0.2 -0.979 90.6 39.0-163.1 169.2 -17.7 43.2 46.1 35 35 A G - 0 0 0 36,-0.5 38,-2.5 -2,-0.3 2,-0.1 -0.314 58.1-133.4 80.8-166.5 -17.1 46.9 45.9 36 36 A G > - 0 0 0 36,-0.2 3,-0.5 38,-0.1 38,-0.1 -0.429 59.8 -33.5-155.2-131.0 -17.2 49.1 42.8 37 37 A H T 3 S+ 0 0 26 36,-0.3 17,-0.1 1,-0.2 18,-0.1 0.330 110.3 90.1 -92.1 11.3 -15.0 51.8 41.3 38 38 A N T 3 S+ 0 0 14 15,-0.1 -1,-0.2 93,-0.1 262,-0.1 0.876 75.6 83.6 -66.6 -37.4 -13.9 53.0 44.7 39 39 A A < - 0 0 6 -3,-0.5 2,-0.3 14,-0.1 184,-0.0 -0.258 61.6-176.7 -64.0 150.5 -11.1 50.4 44.2 40 40 A G - 0 0 7 13,-0.1 2,-0.4 14,-0.1 259,-0.3 -0.912 1.0-177.8-154.2 120.1 -8.1 51.5 42.2 41 41 A H E -J 52 0B 12 11,-2.9 11,-2.1 -2,-0.3 2,-0.6 -0.976 18.2-146.0-126.4 143.2 -5.1 49.2 41.3 42 42 A T E -J 51 0B 60 -2,-0.4 2,-0.3 9,-0.2 -24,-0.2 -0.907 17.5-171.8-108.7 111.9 -1.9 49.9 39.4 43 43 A L E -J 50 0B 1 7,-3.9 7,-2.7 -2,-0.6 2,-0.4 -0.791 3.1-165.1 -99.6 146.8 -0.7 47.0 37.3 44 44 A V E +J 49 0B 11 373,-0.5 375,-2.4 -2,-0.3 2,-0.5 -0.953 11.1 175.6-139.6 118.0 2.8 47.1 35.7 45 45 A I E > S-J 48 0B 24 3,-2.7 3,-3.4 -2,-0.4 373,-0.1 -0.987 78.5 -21.5-125.1 123.6 4.1 44.9 32.9 46 46 A N T 3 S- 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.773 130.1 -51.2 49.9 30.6 7.6 45.5 31.4 47 47 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.264 110.8 126.2 93.6 -10.5 7.2 49.0 32.6 48 48 A E E < -J 45 0B 109 -3,-3.4 -3,-2.7 1,-0.0 2,-0.3 -0.714 49.2-147.7 -86.4 123.7 3.7 49.5 31.1 49 49 A K E -J 44 0B 130 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.689 16.8-177.3 -94.3 147.2 1.2 50.7 33.7 50 50 A T E -J 43 0B 6 -7,-2.7 -7,-3.9 -2,-0.3 2,-0.6 -0.996 11.1-156.1-140.9 127.9 -2.5 49.9 33.8 51 51 A V E -J 42 0B 55 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.955 15.2-174.8-110.8 118.4 -4.9 51.3 36.4 52 52 A L E +J 41 0B 0 -11,-2.1 -11,-2.9 -2,-0.6 -35,-0.1 -0.709 17.8 162.2-108.1 158.6 -8.1 49.3 37.0 53 53 A H S S+ 0 0 34 -2,-0.3 -14,-0.1 -13,-0.2 -1,-0.1 0.390 82.3 9.4-135.2 -73.3 -11.1 50.2 39.2 54 54 A L S S+ 0 0 0 -17,-0.1 -22,-0.1 24,-0.1 -17,-0.1 0.724 110.3 87.1 -89.0 -22.7 -14.2 48.2 38.4 55 55 A I S S- 0 0 0 1,-0.1 4,-0.1 -18,-0.1 13,-0.0 -0.668 87.0-108.2 -85.4 128.6 -12.6 45.7 36.0 56 56 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 2,-1.6 -0.128 29.9-110.1 -52.9 144.4 -11.0 42.5 37.5 57 57 A S T 3 S+ 0 0 1 1,-0.3 -33,-0.2 2,-0.1 -26,-0.0 -0.001 109.7 63.6 -73.9 37.8 -7.2 42.3 37.5 58 58 A G T > + 0 0 0 -2,-1.6 3,-2.0 -28,-0.1 -1,-0.3 0.222 62.7 111.4-136.9 7.6 -6.9 39.6 34.9 59 59 A I T < + 0 0 0 -3,-1.7 -2,-0.1 1,-0.3 7,-0.1 0.577 69.5 67.0 -62.3 -9.3 -8.4 41.6 32.0 60 60 A L T 3 S+ 0 0 39 1,-0.1 2,-0.5 31,-0.1 -1,-0.3 0.352 87.2 76.6 -93.3 1.2 -5.0 41.6 30.4 61 61 A R X - 0 0 23 -3,-2.0 3,-1.5 3,-0.1 -1,-0.1 -0.971 61.5-161.2-121.7 118.8 -4.9 37.9 29.7 62 62 A E T 3 S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.675 91.5 64.7 -69.5 -19.9 -7.0 36.5 26.9 63 63 A N T 3 S+ 0 0 74 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.443 97.0 71.1 -82.3 -0.2 -6.8 33.1 28.4 64 64 A V S < S- 0 0 1 -3,-1.5 2,-0.6 -6,-0.2 -35,-0.2 -0.959 71.9-144.0-123.2 134.4 -8.8 34.3 31.4 65 65 A T E -c 29 0A 42 -37,-3.7 -35,-1.8 -2,-0.4 2,-0.3 -0.878 20.7-147.8 -94.4 117.8 -12.5 35.3 31.5 66 66 A S E -ce 30 97A 0 30,-2.2 32,-2.9 -2,-0.6 2,-0.4 -0.662 18.3-170.4 -85.4 141.6 -12.9 38.3 33.9 67 67 A I E -ce 31 98A 0 -37,-1.8 -35,-2.5 -2,-0.3 2,-0.7 -0.996 23.3-155.7-138.9 133.0 -16.2 38.4 35.8 68 68 A I E -ce 32 99A 1 30,-1.8 32,-2.0 -2,-0.4 35,-0.2 -0.935 30.4-151.3-106.2 107.4 -17.9 41.0 38.0 69 69 A G > - 0 0 0 -37,-2.9 3,-2.2 -2,-0.7 183,-0.2 -0.286 31.6 -87.6 -74.1 166.9 -20.3 39.0 40.3 70 70 A N T 3 S+ 0 0 37 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.643 118.0 69.9 -46.2 -26.0 -23.5 40.1 41.8 71 71 A G T 3 S+ 0 0 6 180,-1.4 -36,-0.5 -39,-0.2 -1,-0.3 0.792 80.8 90.8 -69.3 -24.3 -21.8 41.5 44.9 72 72 A V S < S- 0 0 0 -3,-2.2 2,-0.9 179,-0.3 -36,-0.2 -0.438 75.8-133.5 -75.8 136.0 -20.3 44.4 43.0 73 73 A V - 0 0 0 -38,-2.5 2,-0.4 30,-0.2 -36,-0.3 -0.840 31.9-144.2 -91.0 108.5 -22.1 47.7 42.7 74 74 A L B -k 105 0C 0 30,-2.3 32,-2.7 -2,-0.9 -38,-0.1 -0.611 15.3-161.2 -86.9 124.1 -21.8 48.5 38.9 75 75 A S > - 0 0 10 -2,-0.4 4,-3.1 30,-0.2 5,-0.2 -0.877 6.6-158.0 -99.9 113.4 -21.4 52.0 37.5 76 76 A P H > S+ 0 0 9 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.895 95.1 48.3 -56.5 -42.1 -22.3 52.1 33.7 77 77 A A H > S+ 0 0 71 29,-0.3 4,-3.0 2,-0.2 5,-0.2 0.963 112.6 48.3 -62.6 -52.2 -20.2 55.2 33.2 78 78 A A H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.933 112.2 48.9 -53.2 -51.8 -17.2 53.8 35.0 79 79 A L H X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.2 3,-0.3 0.949 112.7 47.8 -54.6 -51.1 -17.5 50.5 33.1 80 80 A M H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 110.0 52.4 -58.1 -43.1 -17.6 52.4 29.8 81 81 A K H X S+ 0 0 132 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.842 114.6 42.9 -63.0 -34.6 -14.7 54.6 30.7 82 82 A E H X S+ 0 0 5 -4,-2.0 4,-2.2 -3,-0.3 5,-0.3 0.920 110.6 52.9 -78.8 -45.2 -12.6 51.6 31.5 83 83 A M H X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.2 10,-0.3 0.961 112.8 46.6 -54.6 -48.7 -13.6 49.4 28.5 84 84 A K H X S+ 0 0 104 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.912 108.9 53.4 -61.0 -45.7 -12.7 52.3 26.2 85 85 A E H < S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.1 40.0 -56.3 -43.2 -9.3 53.0 27.9 86 86 A L H ><>S+ 0 0 3 -4,-2.2 5,-2.1 2,-0.2 3,-1.5 0.875 111.8 55.6 -73.6 -42.0 -8.3 49.4 27.5 87 87 A E H ><5S+ 0 0 56 -4,-2.8 3,-2.4 1,-0.3 -2,-0.2 0.937 102.3 55.9 -58.5 -44.8 -9.7 48.9 24.0 88 88 A D T 3<5S+ 0 0 112 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.547 109.2 53.0 -64.6 -2.6 -7.7 51.8 22.7 89 89 A R T < 5S- 0 0 87 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.340 127.6 -93.9-114.3 5.1 -4.8 49.8 24.1 90 90 A G T < 5S+ 0 0 64 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.566 84.9 125.4 95.3 8.6 -5.4 46.5 22.4 91 91 A I < - 0 0 21 -5,-2.1 2,-2.8 -8,-0.1 -1,-0.2 -0.885 52.9-148.9-103.4 107.9 -7.5 44.7 25.1 92 92 A P >> + 0 0 40 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.332 24.6 176.1 -75.3 67.5 -10.8 43.6 23.6 93 93 A V H >> + 0 0 0 -2,-2.8 4,-2.1 -10,-0.3 3,-1.9 0.822 69.8 62.4 -36.6 -53.2 -12.6 44.0 27.0 94 94 A R H 34 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.2 -11,-0.0 0.742 103.3 49.1 -48.4 -34.5 -16.0 43.1 25.6 95 95 A E H <4 S+ 0 0 158 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.561 119.3 33.3 -90.4 -5.6 -14.9 39.6 24.7 96 96 A R H << S+ 0 0 30 -3,-1.9 -30,-2.2 -4,-0.5 2,-0.6 0.545 100.3 81.4-122.4 -11.3 -13.3 38.6 28.0 97 97 A L E < +e 66 0A 1 -4,-2.1 2,-0.3 -5,-0.2 -30,-0.2 -0.860 52.7 178.6-105.1 113.1 -15.4 40.4 30.6 98 98 A L E -e 67 0A 52 -32,-2.9 -30,-1.8 -2,-0.6 2,-0.3 -0.713 8.8-161.0-105.1 160.6 -18.7 38.9 31.7 99 99 A L E -ef 68 201A 0 101,-2.8 103,-2.2 -2,-0.3 2,-0.4 -0.978 19.6-107.9-147.1 157.3 -21.1 40.2 34.3 100 100 A S E > - f 0 202A 11 -32,-2.0 3,-1.8 -2,-0.3 48,-0.3 -0.716 14.4-144.5 -85.6 132.0 -24.0 39.4 36.7 101 101 A E T 3 S+ 0 0 76 101,-0.6 48,-3.3 -2,-0.4 49,-0.3 0.688 100.3 64.5 -63.9 -18.2 -27.5 40.7 36.0 102 102 A A T 3 S+ 0 0 18 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.650 70.4 118.4 -80.6 -18.6 -27.9 41.0 39.8 103 103 A C < - 0 0 0 -3,-1.8 45,-2.2 -35,-0.2 -30,-0.2 -0.251 69.2-122.6 -52.1 131.5 -25.2 43.6 40.1 104 104 A P B -L 147 0D 8 0, 0.0 -30,-2.3 0, 0.0 2,-0.4 -0.533 26.9-119.2 -73.2 148.8 -26.8 46.8 41.6 105 105 A L B -k 74 0C 3 41,-3.5 2,-0.8 -32,-0.2 41,-0.3 -0.783 12.6-149.0 -97.5 136.4 -26.4 49.9 39.4 106 106 A I + 0 0 3 -32,-2.7 -29,-0.3 -2,-0.4 2,-0.2 -0.872 26.5 179.3-101.4 106.9 -24.6 53.1 40.6 107 107 A L >> - 0 0 9 -2,-0.8 3,-2.2 -32,-0.1 4,-0.8 -0.629 44.6 -89.0-106.6 165.5 -26.2 56.1 38.9 108 108 A D H >> S+ 0 0 81 1,-0.3 4,-1.7 -2,-0.2 3,-0.8 0.772 120.7 61.2 -38.8 -44.4 -25.5 59.8 39.1 109 109 A Y H 3> S+ 0 0 1 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.789 96.3 60.1 -61.8 -26.1 -27.9 60.4 42.0 110 110 A H H <> S+ 0 0 2 -3,-2.2 4,-2.9 2,-0.2 -1,-0.3 0.870 105.1 49.8 -68.1 -34.5 -25.9 58.0 44.3 111 111 A V H < S+ 0 0 133 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.3 0.862 108.9 56.7 -77.2 -38.6 -20.8 67.1 53.7 120 120 A A H 3< S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.878 97.9 62.0 -59.0 -40.0 -23.7 66.7 56.2 121 121 A R T >< S- 0 0 60 -4,-2.7 3,-2.0 1,-0.2 2,-0.3 0.637 86.3-176.2 -60.1 -16.0 -21.3 64.7 58.4 122 122 A G G X + 0 0 50 -3,-1.6 3,-0.7 1,-0.3 -1,-0.2 -0.334 67.9 1.4 58.4-111.8 -19.3 67.8 58.7 123 123 A A G 3 S+ 0 0 113 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.788 130.1 61.9 -79.1 -28.6 -16.2 67.0 60.7 124 124 A K G < S+ 0 0 106 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.202 75.3 149.4 -86.3 20.0 -17.0 63.4 61.1 125 125 A A < - 0 0 26 -3,-0.7 150,-0.1 1,-0.1 -7,-0.1 -0.147 49.6-133.5 -53.2 147.7 -16.9 62.7 57.4 126 126 A I - 0 0 37 148,-0.1 149,-1.5 149,-0.0 -1,-0.1 0.750 29.1-124.7 -76.4 -25.1 -15.8 59.2 56.3 127 127 A G - 0 0 23 147,-0.3 -2,-0.0 1,-0.1 -1,-0.0 0.864 44.4-179.4 76.8 37.5 -13.4 60.3 53.5 128 128 A T - 0 0 51 1,-0.1 -1,-0.1 -14,-0.1 146,-0.1 -0.272 40.5-111.7 -67.4 162.3 -15.2 58.2 51.0 129 129 A T - 0 0 30 1,-0.1 -1,-0.1 145,-0.0 145,-0.0 0.304 43.9-120.3 -78.1 7.9 -14.0 58.0 47.3 130 130 A G S S+ 0 0 20 1,-0.1 -15,-0.1 -16,-0.1 -1,-0.1 0.759 78.7 123.4 57.9 29.4 -17.1 59.9 46.1 131 131 A R S S- 0 0 78 -17,-0.1 -20,-0.2 -21,-0.0 -94,-0.2 0.456 80.6-115.0 -97.2 -4.0 -18.1 57.1 43.9 132 132 A G > + 0 0 0 -21,-0.2 4,-1.3 -22,-0.2 5,-0.1 0.680 69.0 140.4 78.0 23.4 -21.5 56.6 45.4 133 133 A I H > + 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 67.2 53.2 -64.9 -42.6 -20.8 53.1 46.7 134 134 A G H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.957 109.2 45.4 -57.0 -61.2 -22.7 53.7 50.0 135 135 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.771 110.7 56.9 -55.6 -29.0 -26.0 54.9 48.5 136 136 A A H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.953 108.6 43.4 -68.8 -50.4 -25.9 52.0 46.0 137 137 A Y H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.845 112.7 56.0 -62.9 -32.8 -25.6 49.3 48.6 138 138 A E H X S+ 0 0 90 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.978 108.9 44.2 -63.1 -56.7 -28.3 51.2 50.6 139 139 A D H <>S+ 0 0 2 -4,-2.5 6,-2.0 2,-0.2 5,-1.9 0.858 113.9 53.6 -54.0 -42.8 -30.8 51.1 47.6 140 140 A K H ><5S+ 0 0 89 -4,-2.2 3,-2.2 4,-0.2 -2,-0.2 0.992 111.1 42.4 -54.2 -64.8 -29.9 47.5 47.1 141 141 A V H 3<5S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.820 109.9 57.9 -55.2 -34.6 -30.6 46.4 50.6 142 142 A A T 3<5S- 0 0 33 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.629 109.8-126.9 -71.7 -10.8 -33.8 48.5 50.7 143 143 A R T < 5S+ 0 0 224 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.722 88.6 96.5 70.5 24.6 -34.9 46.4 47.7 144 144 A R < + 0 0 93 -5,-1.9 -4,-0.2 -6,-0.2 -5,-0.1 0.423 56.2 107.1-117.5 -10.0 -35.6 49.6 45.7 145 145 A G S S- 0 0 20 -6,-2.0 2,-0.3 -5,-0.2 -9,-0.0 -0.257 70.9-110.3 -72.2 162.9 -32.4 49.8 43.8 146 146 A L - 0 0 7 -41,-0.3 -41,-3.5 15,-0.0 2,-0.3 -0.725 30.7-165.1 -95.9 139.9 -31.9 49.0 40.1 147 147 A R B > -L 104 0D 124 -2,-0.3 3,-1.8 -43,-0.3 4,-0.4 -0.766 36.7-100.9-118.2 165.6 -29.9 46.0 39.0 148 148 A V G > S+ 0 0 0 -45,-2.2 3,-2.4 -48,-0.3 4,-0.2 0.937 118.8 61.3 -51.7 -50.4 -28.4 45.1 35.6 149 149 A G G > S+ 0 0 18 -48,-3.3 3,-1.2 1,-0.3 -1,-0.3 0.626 87.9 73.6 -54.2 -13.9 -31.3 42.7 34.8 150 150 A D G X S+ 0 0 31 -3,-1.8 3,-1.5 -49,-0.3 -1,-0.3 0.830 84.0 66.2 -71.0 -26.5 -33.7 45.7 35.0 151 151 A L G < S+ 0 0 6 -3,-2.4 3,-0.3 -4,-0.4 -1,-0.3 0.570 77.2 88.7 -68.2 -8.0 -32.3 46.9 31.6 152 152 A F G < S+ 0 0 114 -3,-1.2 2,-0.5 1,-0.3 -1,-0.3 0.820 96.4 35.2 -61.8 -29.3 -33.9 43.7 30.2 153 153 A D S <> S- 0 0 75 -3,-1.5 4,-2.2 -4,-0.2 -1,-0.3 -0.877 72.9-168.4-128.6 99.6 -37.1 45.7 29.7 154 154 A K H > S+ 0 0 87 -2,-0.5 4,-2.2 -3,-0.3 5,-0.2 0.873 84.0 53.6 -55.0 -41.4 -36.3 49.3 28.7 155 155 A E H > S+ 0 0 162 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.947 113.0 39.8 -62.7 -51.1 -39.9 50.5 29.2 156 156 A T H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.827 111.8 59.2 -70.1 -27.5 -40.4 49.3 32.8 157 157 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 -7,-0.3 5,-0.2 0.967 103.2 51.7 -61.3 -52.8 -36.8 50.3 33.7 158 158 A A H X S+ 0 0 19 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.833 110.2 49.4 -51.9 -40.2 -37.5 53.9 32.8 159 159 A E H X S+ 0 0 122 -4,-1.3 4,-2.1 2,-0.2 5,-0.2 0.925 112.1 46.7 -65.6 -49.1 -40.6 53.9 35.0 160 160 A K H X S+ 0 0 87 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.865 113.0 51.0 -59.9 -40.0 -38.7 52.4 38.0 161 161 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 5,-0.3 0.875 107.6 53.6 -66.3 -39.8 -35.9 54.9 37.4 162 162 A K H X S+ 0 0 98 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.983 112.5 41.0 -59.9 -60.3 -38.4 57.9 37.4 163 163 A E H X S+ 0 0 133 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.873 117.1 48.6 -60.5 -37.3 -40.0 57.1 40.7 164 164 A V H X S+ 0 0 11 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.931 113.3 45.9 -68.8 -44.5 -36.7 56.2 42.4 165 165 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.909 111.2 55.2 -61.9 -38.9 -35.0 59.3 41.2 166 166 A E H X S+ 0 0 113 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.952 108.4 48.6 -53.8 -52.4 -38.2 61.1 42.3 167 167 A Y H X S+ 0 0 122 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.927 114.8 42.9 -53.4 -55.3 -37.7 59.6 45.7 168 168 A H H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.831 109.6 56.7 -65.4 -36.2 -34.0 60.6 46.0 169 169 A N H X S+ 0 0 26 -4,-2.9 4,-2.8 2,-0.2 5,-0.4 0.864 98.7 59.8 -65.3 -35.7 -34.4 64.1 44.6 170 170 A F H X>S+ 0 0 145 -4,-1.8 4,-2.1 1,-0.2 5,-0.7 0.953 110.9 43.7 -55.2 -45.9 -37.0 65.0 47.2 171 171 A Q H X>S+ 0 0 45 -4,-1.2 5,-2.6 1,-0.2 4,-0.8 0.870 112.5 51.0 -65.8 -43.0 -34.2 64.3 49.7 172 172 A L H <5S+ 0 0 1 -4,-2.0 6,-4.2 3,-0.2 -1,-0.2 0.879 122.1 30.8 -63.9 -41.1 -31.5 66.1 47.8 173 173 A V H X5S+ 0 0 51 -4,-2.8 4,-0.6 4,-0.3 -2,-0.2 0.966 128.3 33.8 -83.0 -56.8 -33.5 69.3 47.4 174 174 A N H <5S+ 0 0 71 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.865 131.3 25.7 -69.0 -45.5 -35.7 69.5 50.5 175 175 A Y T < - 0 0 104 -2,-0.5 4,-1.7 1,-0.1 3,-0.2 -0.543 15.7-156.0 -71.3 117.7 -32.2 65.2 36.2 183 183 A Y H > S+ 0 0 38 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.939 89.5 55.4 -56.1 -55.9 -34.1 62.0 35.4 184 184 A Q H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 109.0 48.9 -50.5 -37.9 -34.1 62.4 31.6 185 185 A K H > S+ 0 0 98 -3,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.914 109.9 48.0 -71.5 -45.4 -30.3 62.6 31.5 186 186 A V H X S+ 0 0 4 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.872 114.4 49.7 -60.4 -39.1 -29.6 59.6 33.7 187 187 A L H X S+ 0 0 21 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.952 113.3 44.6 -63.8 -52.7 -32.1 57.7 31.5 188 188 A D H X S+ 0 0 84 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.980 113.7 49.5 -56.3 -58.6 -30.4 58.8 28.3 189 189 A D H < S+ 0 0 70 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.874 116.0 43.0 -46.7 -49.5 -26.9 58.1 29.5 190 190 A T H >X S+ 0 0 6 -4,-2.2 3,-2.3 1,-0.2 4,-1.4 0.959 111.6 52.0 -64.9 -52.3 -27.8 54.6 30.7 191 191 A M H 3< S+ 0 0 44 -4,-3.1 4,-0.4 1,-0.3 -1,-0.2 0.775 98.2 69.9 -55.7 -27.3 -29.9 53.7 27.6 192 192 A A T 3< S+ 0 0 81 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.788 115.6 23.0 -62.0 -26.0 -26.8 54.8 25.6 193 193 A V T X> S+ 0 0 21 -3,-2.3 4,-2.5 -4,-0.5 3,-1.0 0.442 88.4 110.2-121.2 -2.5 -25.0 51.7 26.9 194 194 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.3 5,-0.2 0.837 82.9 48.3 -40.1 -47.6 -27.9 49.4 27.9 195 195 A D H 3> S+ 0 0 101 -4,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.860 110.3 50.1 -69.5 -33.5 -27.1 47.0 25.0 196 196 A I H <> S+ 0 0 38 -3,-1.0 4,-1.0 2,-0.2 -2,-0.2 0.974 112.8 47.9 -68.0 -49.0 -23.4 46.8 25.8 197 197 A L H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.947 113.7 45.7 -52.9 -57.8 -24.1 46.1 29.4 198 198 A T H >< S+ 0 0 39 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.805 101.3 67.6 -59.3 -31.0 -26.6 43.4 28.6 199 199 A S H 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.835 99.6 50.9 -61.4 -30.2 -24.4 41.8 26.0 200 200 A M T << S+ 0 0 3 -3,-1.3 -101,-2.8 -4,-1.0 -1,-0.3 0.393 82.7 127.1 -88.9 5.3 -22.0 40.7 28.8 201 201 A V E < +f 99 0A 37 -3,-1.8 2,-0.3 -103,-0.2 -101,-0.2 -0.422 26.7 162.1 -71.6 132.6 -24.5 39.1 31.0 202 202 A V E -f 100 0A 39 -103,-2.2 2,-1.6 -2,-0.2 -101,-0.6 -0.929 50.4-108.0-140.2 157.3 -24.0 35.5 32.2 203 203 A D > - 0 0 90 -2,-0.3 4,-2.3 1,-0.2 3,-0.1 -0.735 44.4-178.4 -85.0 84.8 -25.6 33.5 35.0 204 204 A V H > S+ 0 0 2 -2,-1.6 4,-3.1 1,-0.2 5,-0.2 0.832 70.9 56.5 -62.2 -33.0 -22.3 33.6 37.0 205 205 A S H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.944 113.7 40.7 -65.4 -44.3 -23.4 31.5 40.0 206 206 A D H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 113.8 56.1 -68.6 -36.4 -24.3 28.6 37.8 207 207 A L H X S+ 0 0 14 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.965 107.0 47.4 -56.2 -59.0 -21.1 29.3 35.7 208 208 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.814 111.0 53.9 -53.8 -33.1 -18.9 29.0 38.8 209 209 A D H X S+ 0 0 55 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.950 111.1 43.7 -67.8 -48.5 -20.7 25.8 39.6 210 210 A Q H X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.936 114.5 50.8 -61.1 -45.2 -20.1 24.3 36.2 211 211 A A H X>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-1.0 0.901 109.3 51.5 -58.1 -45.2 -16.4 25.5 36.3 212 212 A R H ><5S+ 0 0 66 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.904 107.5 51.7 -57.9 -49.1 -16.0 24.0 39.8 213 213 A Q H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.6 49.4 -59.9 -34.2 -17.3 20.6 38.6 214 214 A R H 3<5S- 0 0 145 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.660 115.0-118.6 -77.8 -16.8 -14.8 20.6 35.7 215 215 A G T <<5 + 0 0 27 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.683 53.0 165.7 86.8 21.4 -12.0 21.5 38.1 216 216 A D < - 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