==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-JUN-96 1GIM . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.W.POLAND,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) . 17610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.0 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 . 1 0.2 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 . 1 0.2 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 0 1 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 4 0, 0.0 260,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.1 -6.3 24.6 45.6 2 2 A N + 0 0 60 1,-0.2 216,-2.3 215,-0.1 2,-0.8 0.842 360.0 53.0 -62.6 -41.7 -8.5 25.2 42.6 3 3 A N E S-a 218 0A 4 214,-0.2 257,-1.9 255,-0.2 258,-1.7 -0.869 73.4-178.9-102.4 104.5 -10.4 28.1 44.2 4 4 A V E -ab 219 261A 0 214,-2.5 216,-2.5 -2,-0.8 2,-0.4 -0.909 13.3-155.1-111.7 122.5 -8.0 30.8 45.4 5 5 A V E -ab 220 262A 0 256,-2.4 258,-3.8 -2,-0.6 2,-0.5 -0.729 6.1-166.8 -94.0 131.2 -9.1 34.0 47.2 6 6 A V E +ab 221 263A 0 214,-2.9 216,-3.3 -2,-0.4 2,-0.3 -0.975 24.2 148.8-120.7 117.6 -6.9 37.1 47.1 7 7 A L E - b 0 264A 1 256,-2.0 258,-3.2 -2,-0.5 2,-0.6 -0.903 47.2 -85.8-144.6 174.4 -7.7 40.0 49.5 8 8 A G E - b 0 265A 0 216,-0.4 218,-3.1 -2,-0.3 258,-0.1 -0.705 23.2-168.3 -89.0 115.4 -6.5 42.9 51.7 9 9 A T S S+ 0 0 2 256,-1.8 309,-0.3 -2,-0.6 -1,-0.1 0.407 79.1 22.7 -81.8 1.9 -5.4 42.0 55.2 10 10 A Q S S- 0 0 7 255,-0.2 217,-2.1 214,-0.1 218,-0.3 0.203 126.4 -38.2-128.5-107.0 -5.3 45.6 56.4 11 11 A W S S- 0 0 7 1,-0.6 262,-0.3 260,-0.3 214,-0.2 -0.334 90.0 -89.6-126.4 47.0 -7.1 48.7 54.9 12 12 A G S S+ 0 0 1 212,-0.3 -1,-0.6 211,-0.1 259,-0.2 0.068 102.2 77.8 66.8 170.8 -6.9 48.0 51.2 13 13 A D + 0 0 48 211,-0.2 -1,-0.1 -3,-0.1 212,-0.1 0.559 56.0 122.2 69.4 15.7 -4.0 49.2 49.0 14 14 A E S S- 0 0 0 210,-0.2 254,-0.1 251,-0.1 316,-0.1 0.585 93.3 -75.3 -85.3 -13.8 -1.6 46.5 50.2 15 15 A G S > S+ 0 0 27 250,-0.1 4,-1.5 252,-0.1 251,-0.1 0.617 76.9 143.3 129.5 23.1 -0.9 45.1 46.7 16 16 A K H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.895 70.9 54.9 -56.8 -49.4 -3.9 43.1 45.3 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.954 107.8 47.1 -50.2 -62.0 -3.8 44.1 41.7 18 18 A K H > S+ 0 0 18 24,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 116.1 47.5 -48.3 -43.7 -0.1 43.1 41.1 19 19 A I H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.928 110.8 46.7 -69.5 -46.5 -0.7 39.8 42.8 20 20 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.934 114.7 50.4 -61.9 -41.9 -3.9 38.8 41.1 21 21 A D H < S+ 0 0 1 -4,-2.9 4,-0.3 -5,-0.3 -2,-0.2 0.928 113.1 46.3 -59.0 -46.3 -2.3 39.8 37.8 22 22 A L H >< S+ 0 0 28 -4,-2.4 3,-0.9 -5,-0.3 -2,-0.2 0.960 119.1 39.0 -62.0 -52.5 0.8 37.7 38.7 23 23 A L H >< S+ 0 0 4 -4,-3.4 3,-1.4 1,-0.2 4,-0.2 0.739 95.3 78.1 -74.4 -22.9 -1.2 34.6 39.8 24 24 A T G >< + 0 0 0 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.595 64.9 99.5 -65.4 -3.2 -3.9 34.6 37.2 25 25 A E G < S+ 0 0 118 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.717 93.8 32.2 -53.0 -23.8 -1.4 33.1 34.7 26 26 A R G < S+ 0 0 109 -3,-1.4 191,-0.3 38,-0.0 -1,-0.3 0.359 100.8 105.7-115.0 2.1 -3.0 29.7 35.4 27 27 A A < - 0 0 2 -3,-1.6 191,-0.2 -4,-0.2 3,-0.1 -0.546 50.4-163.6 -87.4 147.5 -6.5 30.8 36.0 28 28 A K S S+ 0 0 77 189,-3.0 37,-3.4 -2,-0.2 2,-0.2 0.872 81.3 24.4 -89.6 -46.5 -9.5 30.4 33.7 29 29 A Y E -cd 65 218A 19 188,-1.5 190,-0.8 35,-0.2 2,-0.3 -0.588 58.5-162.1-114.1 172.0 -11.6 33.0 35.6 30 30 A V E -cd 66 219A 0 35,-1.5 37,-1.4 -2,-0.2 2,-0.4 -0.943 16.9-162.0-149.2 131.0 -11.1 36.0 37.9 31 31 A V E -cd 67 220A 0 188,-2.1 190,-4.5 -2,-0.3 2,-0.5 -0.977 17.7-160.7-130.8 134.8 -13.9 37.3 40.0 32 32 A R E +cd 68 221A 0 35,-2.0 37,-3.1 -2,-0.4 40,-0.3 -0.930 16.8 177.8-100.4 128.9 -14.5 40.6 41.8 33 33 A Y + 0 0 1 188,-0.8 2,-0.3 -2,-0.5 -1,-0.1 0.506 55.7 13.5-116.0 -6.6 -17.1 39.9 44.5 34 34 A Q S S+ 0 0 5 187,-0.4 38,-0.2 37,-0.2 -1,-0.2 -0.975 91.5 38.6-160.1 169.3 -17.6 43.2 46.3 35 35 A G - 0 0 0 36,-0.4 38,-1.8 -2,-0.3 2,-0.2 -0.395 58.0-138.9 83.9-161.5 -16.9 46.9 46.2 36 36 A G > - 0 0 0 36,-0.2 3,-1.0 -2,-0.1 38,-0.1 -0.602 59.7 -26.5-164.3-133.2 -17.0 49.1 43.1 37 37 A H T 3 S+ 0 0 26 36,-0.3 17,-0.1 1,-0.2 37,-0.1 0.239 110.2 89.7 -87.9 17.5 -15.0 51.8 41.6 38 38 A N T 3 S+ 0 0 10 15,-0.1 -1,-0.2 16,-0.0 263,-0.1 0.798 77.0 82.9 -77.1 -26.3 -13.9 52.9 45.0 39 39 A A < - 0 0 4 -3,-1.0 2,-0.2 14,-0.2 15,-0.1 -0.189 58.3-179.3 -73.5 166.5 -11.0 50.5 44.4 40 40 A G + 0 0 12 13,-0.1 259,-0.4 14,-0.1 2,-0.4 -0.759 1.9 179.5-172.2 120.2 -7.9 51.3 42.5 41 41 A H E -J 52 0B 19 11,-2.1 11,-2.3 -2,-0.2 2,-0.6 -0.976 20.4-143.8-130.1 142.3 -4.8 49.2 41.6 42 42 A T E -J 51 0B 64 -2,-0.4 -24,-0.4 9,-0.2 2,-0.4 -0.921 18.2-171.9-105.5 113.8 -1.7 49.9 39.7 43 43 A L E -J 50 0B 0 7,-3.8 7,-3.3 -2,-0.6 2,-0.3 -0.829 5.0-165.8-100.0 147.6 -0.5 46.9 37.7 44 44 A V E +J 49 0B 18 373,-0.5 375,-2.5 -2,-0.4 2,-0.5 -0.911 10.7 179.2-143.3 110.6 2.9 47.2 36.1 45 45 A I E > S-J 48 0B 31 3,-2.3 3,-2.3 -2,-0.3 373,-0.1 -0.951 78.4 -21.6-113.2 128.0 4.3 44.9 33.4 46 46 A N T 3 S- 0 0 138 -2,-0.5 2,-0.5 1,-0.3 -1,-0.2 0.890 126.7 -54.1 36.6 53.8 7.8 45.6 32.0 47 47 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.085 111.5 120.2 77.9 -28.5 7.4 49.2 33.2 48 48 A E E < -J 45 0B 112 -3,-2.3 -3,-2.3 -2,-0.5 2,-0.3 -0.564 55.2-146.8 -71.8 128.5 4.2 49.8 31.4 49 49 A K E -J 44 0B 124 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.769 17.1-170.4-104.7 147.5 1.6 50.7 34.0 50 50 A T E -J 43 0B 5 -7,-3.3 -7,-3.8 -2,-0.3 2,-0.6 -0.995 7.3-158.9-134.0 125.2 -2.2 50.0 34.1 51 51 A V E -J 42 0B 37 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.2 -0.931 16.3-177.8-108.6 114.6 -4.6 51.5 36.7 52 52 A L E +J 41 0B 0 -11,-2.3 -11,-2.1 -2,-0.6 -35,-0.1 -0.664 16.9 165.0-105.8 162.1 -7.8 49.6 37.2 53 53 A H S S+ 0 0 25 -13,-0.2 -14,-0.2 -2,-0.2 -1,-0.1 0.356 80.7 11.0-137.0 -73.3 -10.8 50.3 39.4 54 54 A L S S+ 0 0 1 -17,-0.1 25,-0.1 24,-0.1 -2,-0.1 0.842 109.2 84.6 -82.6 -35.0 -13.9 48.3 38.6 55 55 A I S S- 0 0 0 1,-0.1 4,-0.0 24,-0.1 -19,-0.0 -0.515 87.5-106.7 -77.5 132.3 -12.4 45.8 36.2 56 56 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.160 28.2-114.3 -52.8 147.8 -10.8 42.7 37.7 57 57 A S T 3 S+ 0 0 0 1,-0.3 -33,-0.1 2,-0.1 3,-0.1 0.237 108.7 67.8 -76.9 18.0 -7.0 42.5 37.6 58 58 A G T > + 0 0 0 1,-0.1 3,-1.9 2,-0.1 -1,-0.3 0.319 67.9 103.5-111.5 4.5 -6.8 39.5 35.2 59 59 A I T < S+ 0 0 0 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.591 73.0 59.3 -63.7 -16.2 -8.3 41.6 32.3 60 60 A L T 3 S+ 0 0 40 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.516 89.1 88.2 -89.6 -6.8 -4.9 42.0 30.6 61 61 A R X - 0 0 24 -3,-1.9 3,-1.8 1,-0.1 -1,-0.1 -0.838 64.2-156.7-102.8 113.8 -4.5 38.2 30.3 62 62 A E T 3 S+ 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.857 91.3 55.6 -49.6 -49.8 -6.0 36.6 27.2 63 63 A N T 3 S+ 0 0 86 -38,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.472 98.5 86.8 -68.6 -2.3 -6.4 33.1 28.6 64 64 A V < - 0 0 2 -3,-1.8 2,-0.7 -6,-0.2 -35,-0.2 -0.808 65.0-149.1-110.1 144.3 -8.5 34.6 31.4 65 65 A T E -c 29 0A 25 -37,-3.4 -35,-1.5 -2,-0.3 32,-0.2 -0.926 18.8-152.9-107.0 107.6 -12.2 35.4 31.7 66 66 A S E -ce 30 97A 0 30,-1.8 32,-2.3 -2,-0.7 2,-0.3 -0.511 14.3-175.3 -77.5 149.1 -12.8 38.4 34.0 67 67 A I E -ce 31 98A 0 -37,-1.4 -35,-2.0 30,-0.2 2,-0.7 -0.971 20.8-154.0-148.1 127.5 -16.2 38.6 35.9 68 68 A I E -ce 32 99A 0 30,-2.3 32,-0.7 -2,-0.3 -35,-0.2 -0.929 33.0-147.2-102.0 112.2 -17.6 41.3 38.1 69 69 A G > - 0 0 0 -37,-3.1 3,-1.8 -2,-0.7 183,-0.2 -0.222 26.1 -91.3 -79.0 174.0 -20.0 39.5 40.4 70 70 A N T 3 S+ 0 0 37 1,-0.3 182,-0.2 182,-0.1 181,-0.1 0.693 117.4 70.0 -53.7 -26.8 -23.3 40.4 42.0 71 71 A G T 3 S+ 0 0 5 180,-1.9 -36,-0.4 -39,-0.2 -1,-0.3 0.875 84.8 88.3 -61.7 -33.0 -21.6 41.6 45.1 72 72 A V S < S- 0 0 0 -3,-1.8 2,-0.8 179,-0.4 -36,-0.2 -0.448 74.8-138.7 -72.7 128.5 -20.2 44.5 43.2 73 73 A V - 0 0 0 -38,-1.8 2,-0.4 -2,-0.2 -36,-0.3 -0.805 33.0-148.1 -86.7 113.5 -22.2 47.8 42.8 74 74 A L B -k 105 0C 0 30,-2.5 32,-3.4 -2,-0.8 -38,-0.1 -0.716 11.9-152.9 -95.1 134.2 -21.6 48.6 39.2 75 75 A S > - 0 0 10 -2,-0.4 4,-2.5 30,-0.2 5,-0.2 -0.914 3.0-157.7-108.1 111.5 -21.3 52.0 37.7 76 76 A P H > S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.918 96.2 47.6 -53.2 -48.2 -22.3 52.3 34.0 77 77 A A H > S+ 0 0 78 29,-0.3 4,-1.9 1,-0.2 30,-0.1 0.933 113.9 50.2 -59.6 -42.6 -20.3 55.5 33.4 78 78 A A H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.870 108.0 47.6 -61.9 -50.2 -17.3 54.0 35.2 79 79 A L H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.6 0.992 111.3 54.0 -56.8 -55.2 -17.0 50.7 33.4 80 80 A M H 3X S+ 0 0 33 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.837 108.3 48.1 -47.1 -48.6 -17.4 52.5 30.0 81 81 A K H 3X S+ 0 0 115 -4,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.869 115.7 43.9 -62.1 -40.5 -14.4 54.9 30.8 82 82 A E H X S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.2 3,-1.0 0.988 106.7 44.2 -61.4 -62.0 -13.3 50.0 28.9 84 84 A K H 3X S+ 0 0 122 -4,-2.4 4,-3.8 1,-0.3 5,-0.3 0.929 110.5 56.6 -51.2 -49.8 -12.3 52.5 26.3 85 85 A E H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.796 112.7 40.3 -53.0 -34.4 -8.9 53.1 28.0 86 86 A L H X<>S+ 0 0 6 -4,-1.3 5,-3.0 -3,-1.0 3,-0.5 0.862 116.9 48.9 -83.7 -37.4 -8.0 49.4 27.9 87 87 A E H ><5S+ 0 0 64 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.890 105.3 57.5 -66.8 -41.5 -9.4 48.9 24.3 88 88 A D T 3<5S+ 0 0 107 -4,-3.8 -1,-0.3 -5,-0.3 -2,-0.2 0.719 109.0 50.3 -61.9 -15.4 -7.5 52.0 23.2 89 89 A R T < 5S- 0 0 92 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.109 128.6 -94.3-108.9 18.1 -4.5 50.0 24.4 90 90 A G T < 5S+ 0 0 63 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.522 85.8 126.1 85.5 3.8 -5.2 46.8 22.7 91 91 A I < - 0 0 20 -5,-3.0 2,-2.1 -8,-0.1 -1,-0.2 -0.838 53.6-147.4-101.8 100.0 -7.1 45.0 25.5 92 92 A P >> + 0 0 43 0, 0.0 4,-1.0 0, 0.0 3,-1.0 -0.407 23.2 177.5 -66.2 76.9 -10.4 43.8 24.0 93 93 A V H >> S+ 0 0 0 -2,-2.1 4,-2.4 -10,-0.3 3,-1.6 0.909 73.5 52.0 -48.8 -60.7 -12.4 44.2 27.3 94 94 A R H 34 S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.750 107.3 56.7 -53.9 -24.6 -15.9 43.2 26.0 95 95 A E H <4 S+ 0 0 150 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.810 120.5 25.3 -80.0 -24.9 -14.3 40.1 24.6 96 96 A R H << S+ 0 0 26 -3,-1.6 -30,-1.8 -4,-1.0 2,-0.4 0.532 103.1 88.5-114.7 -9.4 -12.9 38.9 28.0 97 97 A L E < -e 66 0A 1 -4,-2.4 2,-0.3 -32,-0.2 -30,-0.2 -0.784 48.6-174.3 -99.4 133.7 -15.2 40.5 30.6 98 98 A L E -e 67 0A 43 -32,-2.3 -30,-2.3 -2,-0.4 2,-0.3 -0.914 4.4-172.6-121.1 149.2 -18.4 39.1 32.0 99 99 A L E -ef 68 201A 0 101,-2.5 103,-2.2 -2,-0.3 2,-0.4 -0.806 20.8-113.5-133.6 177.3 -20.9 40.6 34.4 100 100 A S > - 0 0 10 -32,-0.7 3,-2.7 -2,-0.3 48,-0.4 -0.969 10.5-141.1-121.2 129.2 -24.0 39.7 36.4 101 101 A E T 3 S+ 0 0 76 -2,-0.4 48,-4.2 101,-0.3 49,-0.4 0.706 102.6 64.8 -53.9 -24.6 -27.6 41.0 35.9 102 102 A A T 3 S+ 0 0 21 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.544 72.6 113.4 -79.5 -10.4 -27.9 41.1 39.8 103 103 A C S < S- 0 0 0 -3,-2.7 45,-2.4 -35,-0.1 2,-0.3 -0.409 72.1-122.0 -62.0 140.0 -25.2 43.8 40.2 104 104 A P B -L 147 0D 6 0, 0.0 -30,-2.5 0, 0.0 2,-0.5 -0.635 25.0-118.7 -82.3 147.3 -26.8 47.0 41.5 105 105 A L B -k 74 0C 3 41,-3.4 2,-0.6 -2,-0.3 41,-0.3 -0.756 14.4-148.2 -92.6 125.8 -26.3 50.1 39.3 106 106 A I + 0 0 3 -32,-3.4 -29,-0.3 -2,-0.5 2,-0.3 -0.816 28.7 177.2 -89.0 122.6 -24.5 53.1 40.7 107 107 A L >> - 0 0 11 -2,-0.6 3,-1.5 25,-0.1 4,-0.7 -0.763 43.2 -88.4-121.9 171.7 -26.0 56.2 39.1 108 108 A D H >> S+ 0 0 83 1,-0.3 3,-2.3 -2,-0.3 4,-2.2 0.872 119.5 59.1 -46.2 -57.3 -25.5 60.0 39.5 109 109 A Y H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.789 100.0 62.6 -46.9 -28.2 -27.9 60.7 42.3 110 110 A H H <> S+ 0 0 4 -3,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.845 106.4 41.8 -65.5 -39.4 -25.9 58.1 44.4 111 111 A V H X S+ 0 0 3 -4,-1.8 4,-2.6 -5,-0.3 3,-0.8 0.982 115.6 42.1 -59.3 -59.7 -24.4 65.4 50.6 117 117 A R H 3X S+ 0 0 53 -4,-3.4 4,-2.0 1,-0.3 -1,-0.2 0.883 114.1 52.7 -55.7 -41.6 -24.3 62.9 53.5 118 118 A E H 3< S+ 0 0 34 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.805 110.7 49.4 -65.9 -27.7 -20.5 63.2 53.6 119 119 A K H X< S+ 0 0 110 -4,-1.5 3,-3.5 -3,-0.8 -2,-0.2 0.981 105.6 54.5 -72.0 -58.3 -21.0 67.0 53.8 120 120 A A H 3< S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.3 3,-0.2 0.834 97.5 65.8 -43.7 -44.4 -23.6 66.8 56.6 121 121 A R T >< S+ 0 0 61 -4,-2.0 3,-2.8 1,-0.2 -1,-0.3 0.640 79.6 177.1 -57.1 -12.9 -21.1 64.8 58.7 122 122 A G G X S+ 0 0 53 -3,-3.5 3,-0.6 1,-0.3 -1,-0.2 -0.206 70.9 1.6 48.5-108.1 -19.0 67.9 58.8 123 123 A A G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.652 130.5 61.5 -84.7 -18.7 -16.0 67.0 61.1 124 124 A K G < S+ 0 0 121 -3,-2.8 -1,-0.2 -4,-0.1 -2,-0.2 0.020 78.7 151.0 -94.3 27.8 -17.1 63.4 61.7 125 125 A A < - 0 0 28 -3,-0.6 150,-0.2 -4,-0.2 -7,-0.1 -0.325 48.3-139.0 -62.8 142.1 -16.8 62.8 57.9 126 126 A I - 0 0 36 148,-0.1 149,-1.5 110,-0.0 -1,-0.1 0.886 30.6-126.5 -68.8 -40.0 -16.0 59.2 56.9 127 127 A G - 0 0 23 147,-0.2 2,-0.1 1,-0.1 -2,-0.0 0.845 38.3-172.8 90.1 46.3 -13.6 60.2 54.1 128 128 A T - 0 0 46 -14,-0.1 -1,-0.1 1,-0.1 146,-0.1 -0.411 39.0-112.5 -75.0 152.5 -15.3 58.2 51.3 129 129 A T - 0 0 35 1,-0.1 -1,-0.1 -2,-0.1 145,-0.0 0.701 49.9-122.6 -53.6 -21.7 -13.7 57.9 47.9 130 130 A G S S+ 0 0 16 -16,-0.1 -1,-0.1 -19,-0.0 -15,-0.1 0.569 76.9 121.5 88.2 12.8 -16.7 60.0 46.8 131 131 A R S S- 0 0 81 -17,-0.1 -20,-0.2 -16,-0.0 -94,-0.1 0.410 82.0-107.4 -90.5 0.9 -18.0 57.4 44.3 132 132 A G S > S+ 0 0 0 -21,-0.2 4,-2.1 -22,-0.2 5,-0.2 0.638 74.3 134.1 84.4 15.4 -21.6 56.7 45.5 133 133 A I H > + 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 68.2 52.8 -65.9 -47.6 -20.8 53.2 46.9 134 134 A G H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.971 113.2 41.1 -53.1 -62.5 -22.6 53.7 50.2 135 135 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.869 112.9 54.2 -57.3 -39.5 -25.9 54.9 48.7 136 136 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.948 111.6 45.6 -58.5 -45.7 -25.9 52.3 46.0 137 137 A Y H X S+ 0 0 21 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.854 111.0 56.3 -63.3 -34.3 -25.4 49.6 48.7 138 138 A E H X S+ 0 0 76 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.961 107.5 44.2 -62.1 -56.3 -28.2 51.4 50.6 139 139 A D H X>S+ 0 0 0 -4,-3.0 6,-1.8 1,-0.2 5,-1.8 0.867 109.2 61.6 -59.7 -32.2 -30.8 51.2 47.8 140 140 A K H ><5S+ 0 0 91 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.947 110.7 36.2 -56.4 -52.9 -29.7 47.5 47.3 141 141 A V H 3<5S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 111.9 60.6 -70.1 -35.8 -30.7 46.5 50.8 142 142 A A H 3<5S- 0 0 33 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.613 105.4-129.6 -66.4 -12.9 -33.7 48.8 50.7 143 143 A R T <<5S+ 0 0 229 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.1 0.796 87.1 96.9 67.7 26.8 -35.0 46.8 47.7 144 144 A R < + 0 0 98 -5,-1.8 -4,-0.2 -6,-0.2 -5,-0.1 0.502 57.8 102.9-118.0 -16.6 -35.6 50.0 45.8 145 145 A G - 0 0 24 -6,-1.8 2,-0.3 -7,-0.1 -9,-0.0 -0.188 68.8-118.9 -70.7 162.2 -32.4 50.0 43.8 146 146 A L - 0 0 6 -41,-0.3 -41,-3.4 15,-0.0 2,-0.2 -0.803 25.7-164.3-101.6 146.5 -31.9 49.1 40.1 147 147 A R B > -L 104 0D 128 -2,-0.3 3,-0.9 -43,-0.3 4,-0.5 -0.697 37.7 -97.1-121.5 172.5 -29.7 46.2 38.9 148 148 A V G > S+ 0 0 0 -45,-2.4 3,-2.5 -48,-0.4 4,-0.2 0.940 120.4 61.0 -57.0 -48.6 -28.2 45.2 35.6 149 149 A G G > S+ 0 0 14 -48,-4.2 3,-2.2 1,-0.3 4,-0.3 0.816 89.5 71.9 -50.3 -31.0 -31.0 42.8 34.9 150 150 A D G X S+ 0 0 42 -3,-0.9 3,-1.5 -49,-0.4 7,-0.3 0.831 82.3 71.3 -55.6 -30.9 -33.5 45.7 35.1 151 151 A L G < S+ 0 0 5 -3,-2.5 3,-0.3 -4,-0.5 -1,-0.3 0.534 74.6 84.9 -64.5 -5.7 -32.1 46.9 31.7 152 152 A F G < S+ 0 0 112 -3,-2.2 2,-0.7 1,-0.3 -1,-0.3 0.894 96.4 39.0 -65.3 -36.8 -33.8 43.9 30.0 153 153 A D S <> S- 0 0 66 -3,-1.5 4,-3.1 -4,-0.3 -1,-0.3 -0.829 71.4-175.3-116.9 93.8 -37.1 45.9 29.8 154 154 A K H > S+ 0 0 87 -2,-0.7 4,-2.4 -3,-0.3 5,-0.2 0.881 82.4 54.3 -56.1 -43.0 -36.2 49.5 29.0 155 155 A E H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.985 114.5 41.5 -53.2 -61.3 -39.7 50.8 29.3 156 156 A T H >> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.880 108.5 59.8 -52.9 -45.0 -40.0 49.4 32.8 157 157 A F H 3X S+ 0 0 0 -4,-3.1 4,-3.2 -7,-0.3 -1,-0.2 0.932 105.1 50.8 -49.2 -49.8 -36.4 50.5 33.7 158 158 A A H 3X S+ 0 0 21 -4,-2.4 4,-1.9 -3,-0.4 -1,-0.3 0.772 108.5 51.4 -60.7 -31.0 -37.5 54.1 33.0 159 159 A E H X S+ 0 0 76 -4,-2.5 4,-2.5 1,-0.2 3,-0.8 0.956 115.0 50.5 -51.6 -58.4 -38.6 52.4 38.2 161 161 A L H 3X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.3 5,-0.3 0.886 104.7 57.5 -48.7 -46.3 -35.8 55.0 37.6 162 162 A K H 3X S+ 0 0 116 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.895 114.0 37.9 -55.0 -42.3 -38.3 57.9 37.5 163 163 A E H S+ 0 0 54 -4,-0.9 4,-2.9 3,-0.2 5,-1.8 0.974 110.7 56.9 -71.5 -55.5 -34.3 64.6 50.1 172 172 A L H <5S+ 0 0 0 -4,-2.1 6,-3.9 3,-0.2 5,-0.5 0.855 121.9 25.3 -43.6 -49.2 -31.5 66.2 48.1 173 173 A V H <5S+ 0 0 52 -4,-2.4 -1,-0.2 4,-0.3 -2,-0.2 0.949 129.5 39.1 -85.8 -49.7 -33.3 69.5 47.8 174 174 A N H <5S+ 0 0 79 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.2 0.845 130.6 24.5 -69.7 -37.9 -35.7 69.6 50.7 175 175 A Y T <5S+ 0 0 164 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.874 138.4 22.1 -97.5 -50.9 -33.4 68.0 53.3 176 176 A Y S - 0 0 108 -2,-0.7 4,-1.8 1,-0.1 5,-0.2 -0.344 12.6-144.6 -62.4 128.0 -32.1 65.4 36.6 183 183 A Y H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.872 95.0 51.2 -58.1 -46.8 -34.1 62.3 35.5 184 184 A Q H > S+ 0 0 95 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.898 107.4 53.8 -62.8 -40.9 -33.7 62.6 31.7 185 185 A K H > S+ 0 0 113 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.984 113.3 42.9 -56.3 -56.9 -29.9 63.1 31.9 186 186 A V H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.890 115.0 49.4 -56.5 -45.5 -29.6 59.8 33.9 187 187 A L H X S+ 0 0 22 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.925 115.2 44.2 -61.6 -44.3 -32.1 58.0 31.7 188 188 A D H X S+ 0 0 82 -4,-3.2 4,-2.0 -5,-0.2 -2,-0.2 0.981 111.4 51.0 -65.8 -56.5 -30.3 59.0 28.6 189 189 A D H < S+ 0 0 73 -4,-3.1 3,-0.5 -5,-0.3 4,-0.4 0.928 115.2 43.6 -43.3 -57.5 -26.7 58.4 29.8 190 190 A T H >X S+ 0 0 7 -4,-2.1 3,-1.9 1,-0.2 4,-0.9 0.899 109.1 54.3 -58.0 -49.9 -27.6 54.9 30.9 191 191 A M H 3X S+ 0 0 49 -4,-2.2 4,-0.6 1,-0.3 3,-0.3 0.818 96.3 70.0 -57.9 -30.5 -29.7 53.9 27.9 192 192 A A H 3< S+ 0 0 79 -4,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.702 116.5 21.4 -60.0 -24.2 -26.7 54.8 25.6 193 193 A V H X> S+ 0 0 25 -3,-1.9 4,-2.1 -4,-0.4 3,-0.8 0.299 89.5 106.4-126.4 6.9 -24.8 51.8 27.0 194 194 A A H 3X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 5,-0.3 0.952 84.0 52.9 -48.9 -48.7 -27.6 49.6 28.2 195 195 A D H 3X S+ 0 0 112 -4,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.802 107.9 50.3 -59.2 -30.3 -26.9 47.4 25.2 196 196 A I H X> S+ 0 0 38 -3,-0.8 4,-1.3 2,-0.2 3,-0.5 0.989 112.5 43.7 -73.5 -55.0 -23.2 47.1 26.0 197 197 A L H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 4,-0.2 0.924 113.7 50.7 -51.3 -58.8 -23.6 46.1 29.7 198 198 A T H >< S+ 0 0 39 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.773 101.0 62.1 -53.3 -33.7 -26.4 43.5 29.0 199 199 A S H << S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.951 100.8 55.9 -60.9 -39.5 -24.4 41.9 26.3 200 200 A M T << S+ 0 0 7 -4,-1.3 -101,-2.5 -3,-0.8 -1,-0.3 0.488 82.1 125.0 -70.1 -4.5 -21.8 41.0 28.9 201 201 A V B < +f 99 0A 38 -3,-1.5 2,-0.3 -4,-0.2 -101,-0.2 -0.374 28.2 163.6 -66.8 132.2 -24.4 39.2 31.1 202 202 A V - 0 0 37 -103,-2.2 2,-1.8 -2,-0.1 -101,-0.3 -0.960 50.5-104.6-138.9 151.2 -23.7 35.6 32.2 203 203 A D > - 0 0 87 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 -0.660 44.2-173.9 -79.7 93.3 -25.3 33.6 35.0 204 204 A V H > S+ 0 0 1 -2,-1.8 4,-2.3 2,-0.2 5,-0.3 0.865 73.8 50.8 -56.0 -50.7 -22.3 33.9 37.3 205 205 A S H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.962 114.3 44.4 -56.6 -52.9 -23.3 31.6 40.1 206 206 A D H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.778 111.5 56.0 -62.3 -28.7 -24.2 28.7 37.7 207 207 A L H X S+ 0 0 18 -4,-1.5 4,-3.4 2,-0.2 -1,-0.2 0.897 108.3 45.0 -71.8 -42.6 -20.9 29.4 35.8 208 208 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.923 111.8 53.2 -68.7 -39.8 -18.7 29.0 38.9 209 209 A D H X S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.942 112.1 46.5 -57.6 -41.5 -20.7 25.9 39.8 210 210 A Q H X S+ 0 0 96 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.972 113.8 46.2 -64.6 -51.0 -19.9 24.7 36.3 211 211 A A H X>S+ 0 0 0 -4,-3.4 5,-2.5 1,-0.2 4,-0.8 0.835 110.9 55.0 -58.8 -34.9 -16.2 25.7 36.5 212 212 A R H ><5S+ 0 0 82 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.965 102.7 54.2 -64.5 -50.3 -16.0 24.0 40.0 213 213 A Q H 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.1 44.7 -55.6 -28.5 -17.3 20.7 38.7 214 214 A R H 3<5S- 0 0 144 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.523 113.5-115.0 -92.4 -11.8 -14.5 20.7 36.1 215 215 A G T <<5 + 0 0 29 -3,-1.5 2,-0.3 -4,-0.8 -3,-0.2 0.853 50.5 172.2 81.0 35.8 -11.7 21.8 38.4 216 216 A D < - 0 0 43 -5,-2.5 2,-0.6 -8,-0.1 -1,-0.2 -0.586 40.5-109.1 -81.5 137.3 -11.0 25.1 36.7 217 217 A F + 0 0 40 -191,-0.3 -189,-3.0 -2,-0.3 -188,-1.5 -0.543 44.1 179.5 -66.5 114.3 -8.6 27.5 38.3 218 218 A V E -ad 3 29A 2 -216,-2.3 -214,-2.5 -2,-0.6 2,-0.5 -0.956 11.6-164.4-118.9 135.5 -10.7 30.3 39.7 219 219 A M E -ad 4 30A 0 -190,-0.8 -188,-2.1 -2,-0.4 2,-0.4 -0.979 8.0-151.1-119.2 131.1 -9.2 33.2 41.5 220 220 A F E -ad 5 31A 0 -216,-2.5 -214,-2.9 -2,-0.5 2,-0.5 -0.882 12.3-152.4-101.0 138.8 -11.4 35.5 43.6 221 221 A E E -ad 6 32A 0 -190,-4.5 -188,-0.8 -2,-0.4 -187,-0.4 -0.935 6.0-157.1-116.9 120.1 -10.2 39.1 43.9 222 222 A G - 0 0 0 -216,-3.3 2,-0.3 -2,-0.5 21,-0.1 -0.387 3.0-149.4 -88.3 169.2 -11.0 41.4 46.8 223 223 A A + 0 0 1 20,-0.1 -215,-0.3 -2,-0.1 -211,-0.1 -0.842 63.8 4.3-131.1 167.6 -11.1 45.2 47.1 224 224 A Q S S- 0 0 18 -2,-0.3 -216,-0.4 -213,-0.1 -212,-0.3 -0.151 95.6 -87.8 49.6-152.2 -10.4 47.5 50.0 225 225 A G > - 0 0 1 -213,-0.2 3,-1.5 -214,-0.2 18,-0.2 -0.896 31.2 -86.8-145.1 175.6 -9.3 45.5 53.0 226 226 A T G > S+ 0 0 0 -218,-3.1 3,-2.6 -2,-0.3 18,-0.2 0.879 118.0 55.7 -50.0 -53.9 -10.4 43.5 56.1 227 227 A L G 3 S+ 0 0 6 -217,-2.1 7,-1.9 1,-0.3 -1,-0.3 0.527 101.8 63.0 -67.0 4.4 -10.6 46.4 58.6 228 228 A L G < S+ 0 0 29 -3,-1.5 11,-2.4 -218,-0.3 13,-0.3 0.398 73.4 128.5-104.7 2.4 -13.0 48.1 56.1 229 229 A D <> - 0 0 0 -3,-2.6 4,-3.4 9,-0.2 13,-0.2 -0.387 62.3-135.4 -60.4 124.3 -15.6 45.3 56.4 230 230 A I T 4 S+ 0 0 51 11,-1.4 -1,-0.1 1,-0.2 12,-0.1 0.829 104.8 32.4 -53.2 -35.1 -19.0 46.8 57.1 231 231 A D T 4 S+ 0 0 112 10,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.926 135.3 23.0 -85.8 -50.4 -19.7 44.1 59.8 232 232 A H T 4 S+ 0 0 82 -6,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.520 102.1 86.0-100.2 -4.9 -16.1 43.6 61.1 233 233 A G S < S- 0 0 3 -4,-3.4 2,-2.5 6,-0.1 -5,-0.2 -0.096 100.8 -61.9 -84.0-167.0 -14.0 46.7 60.4 234 234 A T S > S- 0 0 1 -7,-1.9 3,-2.2 3,-0.4 127,-0.2 -0.333 78.4-124.1 -76.7 62.0 -13.7 50.0 62.3 235 235 A Y T 3 S+ 0 0 131 -2,-2.5 127,-2.9 1,-0.3 128,-0.4 -0.178 85.1 14.6 -52.2 138.3 -17.3 50.9 62.0 236 236 A P T 3 S+ 0 0 34 0, 0.0 2,-2.1 0, 0.0 -1,-0.3 -0.962 118.9 69.0 -89.0 9.2 -18.5 53.4 60.9 237 237 A Y S < S+ 0 0 40 -3,-2.2 -3,-0.4 37,-0.0 2,-0.3 -0.518 88.7 95.7 -86.1 71.4 -15.1 54.2 59.3 238 238 A V S S- 0 0 15 -2,-2.1 -9,-0.2 -5,-0.1 -10,-0.1 -0.885 78.9 -99.0-146.5 175.5 -15.5 51.4 56.9 239 239 A T - 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