==== 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 06-DEC-01 1KKB . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR Z.HOU,W.WANG,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) . 17199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 71.2 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 . 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.8 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 . 9 2.1 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 1 2 2 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 29 0, 0.0 3,-0.1 0, 0.0 430,-0.1 0.000 360.0 360.0 360.0 145.0 -6.4 24.4 45.4 2 2 A N + 0 0 59 1,-0.2 216,-2.1 215,-0.1 2,-1.0 0.857 360.0 59.9 -72.5 -40.4 -8.3 25.3 42.2 3 3 A N E S+a 218 0A 3 255,-0.3 257,-3.2 214,-0.2 258,-1.7 -0.766 74.6 177.5 -96.9 91.2 -10.4 27.9 43.9 4 4 A V E -ab 219 261A 0 214,-2.0 216,-1.9 -2,-1.0 2,-0.4 -0.788 16.2-155.6 -99.9 132.3 -7.9 30.5 45.3 5 5 A V E -ab 220 262A 0 256,-3.5 258,-4.9 -2,-0.4 2,-0.5 -0.910 5.5-168.5-110.8 127.5 -9.0 33.7 47.1 6 6 A V E +ab 221 263A 0 214,-2.1 216,-1.9 -2,-0.4 2,-0.3 -0.988 23.0 159.5-116.7 115.5 -6.6 36.7 47.1 7 7 A L E - b 0 264A 0 256,-2.6 258,-2.7 -2,-0.5 2,-0.5 -0.912 43.6 -94.0-139.8 163.9 -7.7 39.4 49.5 8 8 A G E - b 0 265A 1 -2,-0.3 218,-2.9 235,-0.2 258,-0.1 -0.658 23.6-168.3 -81.1 122.0 -6.4 42.4 51.5 9 9 A T S S+ 0 0 0 256,-1.8 309,-0.2 -2,-0.5 -1,-0.1 0.703 76.8 29.3 -81.6 -15.6 -5.3 41.6 55.0 10 10 A Q S S- 0 0 8 255,-0.4 217,-2.8 214,-0.2 218,-0.3 0.568 123.5 -47.1-107.3-113.3 -5.1 45.3 56.1 11 11 A W S S- 0 0 5 1,-0.7 262,-0.3 260,-0.3 214,-0.3 -0.128 88.9 -90.9-120.4 35.2 -7.0 48.4 54.9 12 12 A G S S+ 0 0 2 212,-0.3 -1,-0.7 211,-0.1 259,-0.2 -0.196 101.3 86.4 78.0 174.9 -6.7 47.8 51.2 13 13 A D + 0 0 51 211,-0.2 -1,-0.1 -3,-0.1 212,-0.1 0.745 53.3 126.8 62.2 27.7 -3.9 49.2 49.0 14 14 A E S S- 0 0 1 210,-0.3 254,-0.1 251,-0.1 316,-0.1 0.593 87.3 -92.2 -84.7 -19.1 -1.7 46.1 49.9 15 15 A G > + 0 0 32 250,-0.1 4,-0.6 315,-0.1 251,-0.1 0.852 69.0 151.7 106.7 55.8 -1.1 45.3 46.3 16 16 A K H > + 0 0 5 2,-0.2 4,-2.8 3,-0.1 3,-0.4 0.868 64.9 62.4 -83.7 -39.9 -3.7 42.9 45.1 17 17 A G H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.937 103.9 50.4 -50.6 -50.8 -3.9 43.8 41.4 18 18 A K H > S+ 0 0 16 24,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.798 112.6 46.2 -57.8 -37.2 -0.3 42.7 40.8 19 19 A I H X S+ 0 0 0 -4,-0.6 4,-2.8 -3,-0.4 5,-0.3 0.874 111.6 50.4 -76.8 -38.9 -0.8 39.4 42.6 20 20 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.992 115.3 43.6 -60.8 -55.6 -4.1 38.6 40.7 21 21 A D H < S+ 0 0 1 -4,-3.0 4,-0.2 2,-0.2 -2,-0.2 0.868 116.0 51.0 -53.7 -42.4 -2.3 39.4 37.4 22 22 A L H >< S+ 0 0 24 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.997 116.6 35.5 -57.3 -68.3 0.7 37.4 38.6 23 23 A L H >< S+ 0 0 9 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.595 94.8 86.8 -65.6 -16.7 -1.1 34.2 39.6 24 24 A T G >< + 0 0 0 -4,-2.0 3,-1.2 -5,-0.3 -1,-0.2 0.580 58.7 102.1 -62.1 -10.2 -3.8 34.3 36.8 25 25 A E G < S+ 0 0 127 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.808 93.4 26.1 -40.4 -48.1 -1.3 32.5 34.5 26 26 A R G < S+ 0 0 106 -3,-0.9 191,-0.4 190,-0.0 -1,-0.3 0.409 102.3 110.9-101.1 -0.5 -3.1 29.1 34.9 27 27 A A < - 0 0 1 -3,-1.2 191,-0.2 -4,-0.3 3,-0.1 -0.539 46.3-169.8 -83.6 141.9 -6.6 30.6 35.7 28 28 A K S S+ 0 0 73 189,-1.6 37,-3.8 -2,-0.2 2,-0.3 0.736 79.1 31.4 -94.0 -32.4 -9.6 30.4 33.4 29 29 A Y E -cd 65 218A 25 188,-1.4 190,-2.4 35,-0.2 2,-0.4 -0.967 53.6-171.8-134.2 147.7 -11.6 32.8 35.5 30 30 A V E -cd 66 219A 0 35,-1.7 37,-2.9 -2,-0.3 2,-0.4 -0.984 20.3-167.2-130.5 132.0 -10.9 35.8 37.8 31 31 A V E -cd 67 220A 0 188,-3.0 190,-4.1 -2,-0.4 2,-0.5 -0.975 18.2-148.8-129.5 135.0 -14.0 37.1 39.8 32 32 A R E -cd 68 221A 1 35,-1.7 37,-2.1 -2,-0.4 40,-0.3 -0.915 13.2-174.2 -97.1 130.6 -14.5 40.3 41.8 33 33 A Y - 0 0 3 188,-1.1 2,-0.3 -2,-0.5 -1,-0.1 0.476 59.8 -10.2-106.3 -4.6 -16.9 39.5 44.6 34 34 A Q S S+ 0 0 4 187,-0.4 38,-0.2 37,-0.1 -1,-0.2 -0.985 85.9 64.9-172.9-179.0 -17.4 43.1 46.0 35 35 A G - 0 0 0 36,-0.3 38,-1.9 -2,-0.3 2,-0.2 -0.502 56.1-129.8 87.8-159.9 -16.4 46.7 46.0 36 36 A G > - 0 0 0 36,-0.2 3,-0.7 -2,-0.2 38,-0.1 -0.589 55.9 -43.8-157.3-138.2 -16.8 49.1 43.1 37 37 A H T 3 S+ 0 0 25 1,-0.2 17,-0.2 36,-0.2 18,-0.0 0.054 107.2 97.4 -96.6 23.7 -14.6 51.5 41.3 38 38 A N T 3 S+ 0 0 15 15,-0.2 -1,-0.2 93,-0.0 262,-0.2 0.689 71.9 82.8 -81.7 -17.3 -13.3 52.8 44.6 39 39 A A < - 0 0 5 -3,-0.7 15,-0.1 14,-0.3 184,-0.1 -0.227 61.6-160.8 -83.6 167.1 -10.4 50.5 44.1 40 40 A G - 0 0 13 13,-0.1 2,-0.8 14,-0.1 13,-0.2 -0.316 10.2-176.1-146.6 62.8 -7.2 51.1 42.1 41 41 A H E -J 52 0B 16 11,-0.8 11,-2.3 12,-0.1 2,-0.5 -0.495 16.5-154.8 -69.8 101.4 -5.5 47.8 41.3 42 42 A T E -J 51 0B 46 -2,-0.8 -24,-0.4 9,-0.2 2,-0.4 -0.701 8.8-165.5 -84.0 122.8 -2.3 48.8 39.4 43 43 A L E -J 50 0B 0 7,-2.6 7,-1.4 -2,-0.5 2,-0.4 -0.834 5.8-172.1-109.3 139.6 -0.6 46.3 37.0 44 44 A V E +J 49 0B 18 373,-0.5 375,-2.4 -2,-0.4 2,-0.6 -0.928 5.9 176.0-133.9 105.9 3.0 46.7 35.7 45 45 A I E > S-J 48 0B 42 3,-1.7 3,-1.6 -2,-0.4 373,-0.1 -0.970 82.2 -21.1-111.5 115.5 4.1 44.3 33.0 46 46 A N T 3 S- 0 0 154 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.756 130.3 -51.3 58.5 26.3 7.6 45.1 31.8 47 47 A G T 3 S+ 0 0 61 1,-0.2 2,-0.6 370,-0.0 -1,-0.3 0.699 106.9 127.3 86.9 18.1 7.1 48.6 33.2 48 48 A E E < -J 45 0B 110 -3,-1.6 -3,-1.7 2,-0.0 -1,-0.2 -0.953 49.1-143.5-112.0 117.6 3.8 49.4 31.5 49 49 A K E +J 44 0B 125 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.483 21.8 176.8 -84.9 151.7 1.1 50.5 33.9 50 50 A T E -J 43 0B 6 -7,-1.4 -7,-2.6 -2,-0.2 2,-0.7 -0.917 15.9-153.4-149.8 112.2 -2.6 49.9 34.0 51 51 A V E -J 42 0B 49 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.847 13.6-166.4 -96.3 117.6 -4.9 51.1 36.8 52 52 A L E +J 41 0B 2 -11,-2.3 -11,-0.8 -2,-0.7 -35,-0.1 -0.718 18.1 165.0 -97.3 144.7 -7.9 49.0 37.2 53 53 A H S S+ 0 0 36 -2,-0.3 -14,-0.3 -13,-0.2 -15,-0.2 0.494 82.9 0.2-122.0 -65.7 -10.8 50.2 39.3 54 54 A L S S+ 0 0 0 -17,-0.2 -2,-0.1 24,-0.1 -17,-0.1 0.766 110.8 94.0 -98.0 -27.2 -13.9 48.0 38.6 55 55 A I S S- 0 0 0 1,-0.1 4,-0.1 2,-0.1 -14,-0.1 -0.489 84.1-110.6 -73.5 125.1 -12.3 45.7 36.1 56 56 A P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.167 26.9-115.8 -53.3 141.7 -10.9 42.4 37.5 57 57 A S T 3 S+ 0 0 0 1,-0.3 3,-0.3 2,-0.1 -33,-0.1 0.320 107.3 73.0 -65.9 12.9 -7.1 42.2 37.4 58 58 A G T > + 0 0 0 1,-0.2 3,-0.8 161,-0.1 -1,-0.3 0.098 65.1 105.1-113.3 22.9 -7.1 39.3 34.9 59 59 A I T < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.671 70.8 57.9 -77.0 -20.3 -8.2 41.5 32.1 60 60 A L T 3 S+ 0 0 30 -3,-0.3 2,-0.5 31,-0.1 -1,-0.2 0.003 88.1 92.7 -99.3 26.3 -4.8 41.6 30.4 61 61 A R X - 0 0 22 -3,-0.8 3,-1.3 3,-0.2 -1,-0.0 -0.955 63.8-151.7-129.2 113.9 -4.6 37.8 29.9 62 62 A E T 3 S+ 0 0 155 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.816 95.9 49.5 -44.5 -44.8 -5.9 36.2 26.7 63 63 A N T 3 S+ 0 0 69 -38,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.692 95.1 88.0 -75.8 -17.2 -6.8 32.9 28.5 64 64 A V < - 0 0 4 -3,-1.3 2,-0.7 -6,-0.2 -35,-0.2 -0.658 62.0-150.3 -96.3 133.6 -8.7 34.4 31.4 65 65 A T E -c 29 0A 27 -37,-3.8 -35,-1.7 -2,-0.4 2,-0.4 -0.881 23.9-146.3 -93.9 114.5 -12.5 35.2 31.5 66 66 A S E -ce 30 97A 0 30,-1.5 32,-2.3 -2,-0.7 2,-0.4 -0.743 16.7-162.6 -83.5 136.7 -12.7 38.2 33.9 67 67 A I E -ce 31 98A 0 -37,-2.9 -35,-1.7 -2,-0.4 2,-0.7 -0.977 20.8-159.3-128.3 136.1 -15.9 38.2 35.9 68 68 A I E -ce 32 99A 0 30,-1.9 32,-1.8 -2,-0.4 35,-0.2 -0.940 31.6-149.8-108.5 99.3 -17.7 40.9 37.9 69 69 A G > - 0 0 0 -37,-2.1 3,-1.4 -2,-0.7 183,-0.2 -0.119 26.8 -94.9 -69.0 168.8 -19.9 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 0.668 117.2 66.8 -54.8 -28.2 -23.3 39.9 41.8 71 71 A G T 3 S+ 0 0 7 180,-2.3 -36,-0.3 -39,-0.2 -1,-0.3 0.836 84.5 93.3 -64.8 -31.2 -21.7 41.3 45.1 72 72 A V S < S- 0 0 0 -3,-1.4 2,-0.8 179,-0.5 -36,-0.2 -0.366 75.4-134.9 -68.8 131.6 -20.1 44.1 43.0 73 73 A V - 0 0 0 -38,-1.9 2,-0.6 30,-0.2 -36,-0.2 -0.845 28.2-146.7 -88.3 111.1 -22.0 47.5 42.7 74 74 A L B -k 105 0C 0 30,-3.4 32,-1.9 -2,-0.8 3,-0.1 -0.740 13.9-160.9 -94.1 120.5 -21.7 48.4 39.0 75 75 A S >> - 0 0 11 -2,-0.6 4,-2.3 30,-0.3 3,-0.7 -0.801 8.0-156.4 -96.6 100.7 -21.4 52.0 37.7 76 76 A P H 3> S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.826 93.3 52.1 -40.3 -44.7 -22.3 52.0 33.9 77 77 A A H 3> S+ 0 0 73 29,-0.3 4,-2.3 2,-0.2 5,-0.1 0.894 110.1 46.2 -61.9 -47.2 -20.3 55.2 33.4 78 78 A A H <> S+ 0 0 13 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.908 111.3 52.3 -65.2 -45.0 -17.1 53.8 35.0 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.957 111.7 45.3 -55.9 -53.8 -17.3 50.5 33.1 80 80 A M H X S+ 0 0 12 -4,-2.3 4,-1.7 -5,-0.2 5,-0.2 0.917 112.9 53.7 -56.8 -43.9 -17.6 52.3 29.8 81 81 A K H X S+ 0 0 113 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.949 111.3 42.7 -55.2 -57.5 -14.8 54.6 30.8 82 82 A E H X S+ 0 0 5 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.910 109.4 57.8 -57.6 -48.3 -12.4 51.8 31.6 83 83 A M H >X S+ 0 0 1 -4,-2.6 4,-3.8 2,-0.2 3,-0.9 0.952 105.4 47.9 -47.9 -62.6 -13.2 49.6 28.6 84 84 A K H 3X S+ 0 0 96 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.913 110.7 53.7 -48.2 -46.3 -12.3 52.3 26.0 85 85 A E H 3< S+ 0 0 77 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.849 116.3 37.1 -56.9 -40.8 -9.1 53.0 27.8 86 86 A L H X<>S+ 0 0 7 -4,-2.0 5,-2.0 -3,-0.9 3,-1.8 0.890 113.9 56.4 -78.4 -41.6 -8.1 49.3 27.7 87 87 A E H ><5S+ 0 0 52 -4,-3.8 3,-1.5 1,-0.3 -2,-0.2 0.867 102.5 57.1 -57.7 -36.2 -9.6 48.8 24.2 88 88 A D T 3<5S+ 0 0 141 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.553 107.2 50.4 -70.2 -12.2 -7.3 51.7 23.0 89 89 A R T < 5S- 0 0 84 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.079 127.6 -93.9-117.5 29.4 -4.4 49.6 24.3 90 90 A G T < 5S+ 0 0 61 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.565 81.7 130.8 76.2 9.1 -5.3 46.3 22.6 91 91 A I < - 0 0 15 -5,-2.0 2,-2.6 -8,-0.2 3,-0.2 -0.870 52.0-146.2 -98.9 109.6 -7.3 44.6 25.3 92 92 A P >> + 0 0 36 0, 0.0 3,-2.6 0, 0.0 4,-1.5 -0.409 25.2 177.6 -74.3 68.7 -10.6 43.3 23.8 93 93 A V H 3> S+ 0 0 0 -2,-2.6 4,-3.5 1,-0.3 -27,-0.1 0.779 73.9 55.6 -38.5 -44.1 -12.4 44.0 27.1 94 94 A R H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 -11,-0.0 0.680 108.3 45.9 -70.8 -19.7 -15.7 42.8 25.7 95 95 A E H <4 S+ 0 0 162 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.693 122.1 38.6 -91.5 -24.0 -14.4 39.4 24.6 96 96 A R H < S+ 0 0 34 -4,-1.5 -30,-1.5 -3,-0.1 2,-0.2 0.856 102.8 78.1 -89.9 -44.8 -12.7 38.9 28.0 97 97 A L E < +e 66 0A 1 -4,-3.5 2,-0.3 -5,-0.2 -30,-0.2 -0.504 47.8 177.2 -83.0 137.7 -15.2 40.4 30.5 98 98 A L E -e 67 0A 43 -32,-2.3 -30,-1.9 -2,-0.2 2,-0.3 -0.922 7.7-168.1-130.0 153.6 -18.5 39.0 31.9 99 99 A L E -ef 68 201A 0 101,-1.6 103,-1.4 -2,-0.3 2,-0.4 -0.974 22.8-108.2-145.9 157.3 -20.9 40.4 34.5 100 100 A S E > - f 0 202A 10 -32,-1.8 3,-1.6 -2,-0.3 48,-0.3 -0.719 11.0-145.7 -89.4 134.6 -23.8 39.4 36.7 101 101 A E T 3 S+ 0 0 78 101,-0.6 48,-3.2 -2,-0.4 49,-0.2 0.608 102.8 67.6 -67.8 -13.0 -27.3 40.7 36.0 102 102 A A T 3 S+ 0 0 20 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.678 73.6 118.2 -79.7 -21.6 -27.6 40.6 39.8 103 103 A C < - 0 0 0 -3,-1.6 45,-2.3 -35,-0.2 -30,-0.2 -0.223 68.0-122.7 -55.0 124.6 -25.0 43.5 40.0 104 104 A P B -L 147 0D 6 0, 0.0 -30,-3.4 0, 0.0 2,-0.4 -0.305 27.2-125.8 -61.7 149.5 -26.4 46.7 41.7 105 105 A L B -k 74 0C 4 41,-2.8 2,-0.5 -32,-0.2 41,-0.3 -0.854 12.0-149.8-104.0 143.4 -26.1 49.8 39.5 106 106 A I + 0 0 2 -32,-1.9 -29,-0.3 -2,-0.4 2,-0.2 -0.940 25.1 175.3-111.0 127.4 -24.5 53.1 40.6 107 107 A L >> - 0 0 13 -2,-0.5 3,-1.8 25,-0.1 4,-1.0 -0.758 46.8 -82.6-127.9 174.0 -25.9 56.3 39.1 108 108 A D H >> S+ 0 0 78 1,-0.3 4,-1.8 -2,-0.2 3,-0.7 0.823 123.8 54.8 -38.9 -52.2 -25.5 60.1 39.3 109 109 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.785 99.1 61.6 -60.9 -26.5 -27.8 60.3 42.3 110 110 A H H <> S+ 0 0 3 -3,-1.8 4,-2.2 2,-0.2 22,-0.3 0.873 107.4 44.6 -68.8 -33.1 -25.7 57.8 44.3 111 111 A V H < S+ 0 0 22 -4,-1.5 3,-1.0 -5,-0.3 -1,-0.2 0.929 114.5 43.3 -62.2 -49.8 -20.3 63.0 53.8 119 119 A K H >< S+ 0 0 142 -4,-2.6 3,-3.7 1,-0.3 -2,-0.2 0.949 106.4 63.0 -59.7 -47.8 -20.6 66.7 54.0 120 120 A A H 3< S+ 0 0 63 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.712 96.6 61.1 -48.6 -25.4 -23.4 66.2 56.4 121 121 A R T X< S- 0 0 80 -3,-1.0 3,-2.1 -4,-0.7 -1,-0.3 0.549 81.7-175.9 -81.0 -12.1 -20.9 64.6 58.6 122 122 A G G X S- 0 0 53 -3,-3.7 3,-0.9 1,-0.3 -1,-0.2 -0.252 75.2 -0.8 52.0-122.3 -18.7 67.7 59.0 123 123 A A G 3 S+ 0 0 97 1,-0.3 2,-0.4 3,-0.0 -1,-0.3 0.857 130.6 66.5 -65.2 -33.9 -15.7 66.7 61.0 124 124 A K G < S+ 0 0 147 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.045 72.4 145.9 -79.9 30.7 -17.0 63.1 61.3 125 125 A A < - 0 0 30 -3,-0.9 150,-0.2 -2,-0.4 -7,-0.1 -0.469 47.7-142.8 -71.0 138.1 -16.6 62.5 57.6 126 126 A I - 0 0 29 -2,-0.2 149,-2.0 148,-0.1 -1,-0.1 0.798 31.6-121.7 -69.8 -31.9 -15.6 58.9 56.7 127 127 A G - 0 0 22 147,-0.3 2,-0.1 1,-0.1 -2,-0.0 0.874 44.4-179.0 84.9 42.5 -13.3 59.9 53.8 128 128 A T - 0 0 45 -14,-0.1 -1,-0.1 1,-0.1 146,-0.1 -0.364 39.9-114.4 -71.6 157.5 -15.3 57.9 51.3 129 129 A T - 0 0 29 -2,-0.1 -1,-0.1 1,-0.0 145,-0.0 0.535 42.1-125.2 -72.1 -6.3 -14.0 57.8 47.7 130 130 A G S S+ 0 0 7 -16,-0.1 -15,-0.1 1,-0.1 -19,-0.1 0.926 72.4 125.0 60.2 51.2 -17.2 59.6 46.6 131 131 A R S S- 0 0 68 -21,-0.1 -94,-0.2 -17,-0.1 -20,-0.2 0.025 84.9-103.0-122.1 13.9 -18.3 57.1 43.9 132 132 A G S > S+ 0 0 0 -22,-0.3 4,-2.1 -21,-0.2 5,-0.2 0.631 81.7 131.5 70.3 18.6 -21.8 56.3 45.2 133 133 A I H > + 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.984 69.7 48.1 -64.6 -58.0 -20.7 53.0 46.7 134 134 A G H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.906 115.9 43.1 -47.4 -58.2 -22.3 53.6 50.0 135 135 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.805 110.5 55.8 -61.4 -35.9 -25.7 54.6 48.6 136 136 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.906 109.1 46.5 -63.7 -43.9 -25.7 51.9 45.9 137 137 A Y H X S+ 0 0 23 -4,-2.6 4,-2.1 -3,-0.3 -1,-0.2 0.888 112.0 54.3 -66.7 -34.7 -25.3 49.2 48.5 138 138 A E H X S+ 0 0 78 -4,-1.7 4,-2.2 -5,-0.3 3,-0.3 0.988 105.5 48.6 -60.5 -64.7 -28.0 51.0 50.5 139 139 A D H <>S+ 0 0 3 -4,-2.7 5,-2.4 1,-0.2 6,-1.9 0.789 111.4 55.1 -45.2 -35.8 -30.7 51.0 47.8 140 140 A K H ><5S+ 0 0 87 -4,-1.3 3,-1.8 -5,-0.2 -1,-0.2 0.966 107.6 43.9 -62.9 -57.5 -29.9 47.3 47.3 141 141 A V H 3<5S+ 0 0 118 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.808 111.9 57.6 -59.7 -27.8 -30.5 46.1 50.9 142 142 A A T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.563 107.8-129.7 -75.8 -18.1 -33.6 48.4 50.7 143 143 A R T < 5S+ 0 0 228 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.796 86.2 103.3 66.3 32.0 -34.9 46.3 47.7 144 144 A R < + 0 0 86 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.463 56.6 105.7-116.3 -13.9 -35.4 49.7 46.0 145 145 A G - 0 0 26 -6,-1.9 2,-0.5 -7,-0.1 -9,-0.0 -0.143 69.0-116.4 -78.7 168.1 -32.4 49.5 43.7 146 146 A L - 0 0 8 -41,-0.3 -41,-2.8 15,-0.0 2,-0.2 -0.826 30.2-169.7-100.3 128.0 -31.7 48.9 40.1 147 147 A R B > -L 104 0D 134 -2,-0.5 3,-1.4 -43,-0.3 4,-0.3 -0.639 40.9 -95.7-107.6 173.5 -29.6 45.9 39.3 148 148 A V G > S+ 0 0 0 -45,-2.3 3,-2.3 -48,-0.3 4,-0.2 0.946 118.9 63.1 -56.4 -46.6 -28.1 45.0 35.9 149 149 A G G > S+ 0 0 18 -48,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.503 83.9 76.2 -60.3 -4.8 -31.1 42.8 34.9 150 150 A D G X S+ 0 0 34 -3,-1.4 3,-1.2 1,-0.2 -1,-0.3 0.686 80.1 70.6 -79.8 -16.7 -33.6 45.7 35.0 151 151 A L G < S+ 0 0 5 -3,-2.3 3,-0.4 -4,-0.3 -1,-0.2 0.601 74.1 89.7 -73.3 -8.5 -32.2 46.9 31.7 152 152 A F G < S+ 0 0 120 -3,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.708 99.7 28.3 -58.1 -26.6 -33.9 43.8 30.2 153 153 A D S <> S- 0 0 67 -3,-1.2 4,-2.3 1,-0.1 -1,-0.3 -0.819 70.9-170.4-140.2 97.2 -37.0 45.9 29.8 154 154 A K H > S+ 0 0 66 -3,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.761 84.2 61.6 -61.3 -25.4 -36.1 49.6 29.2 155 155 A E H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.985 110.5 36.4 -67.2 -56.2 -39.8 50.6 29.5 156 156 A T H > S+ 0 0 44 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.843 114.2 60.3 -67.1 -28.1 -40.2 49.3 33.1 157 157 A F H X S+ 0 0 0 -4,-2.3 4,-3.9 -7,-0.3 -1,-0.2 0.947 103.6 48.0 -60.2 -54.2 -36.6 50.5 33.8 158 158 A A H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.830 115.5 47.5 -54.9 -35.1 -37.4 54.1 33.0 159 159 A E H X S+ 0 0 106 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.923 113.9 44.6 -72.4 -49.0 -40.5 53.7 35.2 160 160 A K H X S+ 0 0 77 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.902 115.7 50.5 -59.7 -42.8 -38.5 52.1 38.0 161 161 A L H X S+ 0 0 0 -4,-3.9 4,-2.6 -5,-0.2 5,-0.3 0.897 106.8 52.1 -61.4 -48.7 -35.9 54.8 37.5 162 162 A K H X S+ 0 0 74 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.936 112.0 48.3 -52.8 -51.0 -38.4 57.7 37.6 163 163 A E H X S+ 0 0 126 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 113.5 44.6 -56.6 -53.6 -39.7 56.3 41.0 164 164 A V H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 117.8 42.9 -61.6 -47.4 -36.3 55.9 42.7 165 165 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.890 107.9 60.5 -66.0 -41.2 -34.9 59.3 41.5 166 166 A E H X S+ 0 0 113 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.957 111.1 42.9 -47.9 -49.8 -38.2 60.9 42.4 167 167 A Y H X S+ 0 0 121 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.919 113.9 47.3 -63.4 -53.8 -37.5 59.6 46.0 168 168 A H H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.886 108.7 55.3 -59.8 -38.9 -33.8 60.5 46.2 169 169 A N H X>S+ 0 0 24 -4,-2.9 4,-3.2 2,-0.2 5,-0.5 0.842 98.8 59.9 -66.1 -34.5 -34.3 64.0 44.9 170 170 A F H X>S+ 0 0 145 -4,-1.3 4,-2.6 -5,-0.3 5,-0.6 0.962 112.7 40.7 -57.4 -47.7 -36.8 65.0 47.5 171 171 A Q H X>S+ 0 0 52 -4,-1.3 5,-3.0 3,-0.2 4,-1.4 0.894 115.1 51.0 -66.6 -44.2 -34.1 64.3 50.1 172 172 A L H <5S+ 0 0 0 -4,-2.5 6,-3.7 3,-0.2 -2,-0.2 0.950 126.4 25.0 -56.9 -52.4 -31.3 65.9 48.0 173 173 A V H X5S+ 0 0 58 -4,-3.2 4,-0.8 4,-0.3 -2,-0.2 0.964 130.6 38.2 -76.6 -60.4 -33.3 69.1 47.5 174 174 A N H < - 0 0 101 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.462 15.4-151.6 -70.2 133.6 -32.1 65.0 36.5 183 183 A Y H > S+ 0 0 42 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.928 94.9 50.2 -64.4 -53.1 -34.0 61.9 35.6 184 184 A Q H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.892 111.2 50.8 -57.5 -38.2 -34.0 62.2 31.8 185 185 A K H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 112.1 43.9 -63.9 -52.9 -30.3 62.8 31.8 186 186 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.856 115.2 52.2 -60.4 -34.4 -29.4 59.8 33.9 187 187 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.939 109.4 48.4 -64.9 -49.4 -31.9 57.9 31.7 188 188 A D H < S+ 0 0 93 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.928 113.9 45.6 -57.7 -49.5 -30.3 59.0 28.5 189 189 A D H >< S+ 0 0 68 -4,-2.7 3,-0.8 2,-0.2 -1,-0.2 0.924 115.8 47.0 -59.8 -48.9 -26.8 58.1 29.8 190 190 A T H >X S+ 0 0 5 -4,-2.4 3,-2.7 1,-0.2 4,-1.3 0.988 108.7 51.2 -59.0 -60.8 -27.8 54.7 31.1 191 191 A M T 3< S+ 0 0 42 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.531 100.7 67.7 -58.4 -4.0 -29.9 53.6 28.1 192 192 A A T <4 S+ 0 0 76 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.436 112.8 27.9 -94.3 -3.4 -26.8 54.4 25.9 193 193 A V T X> S+ 0 0 24 -3,-2.7 4,-1.4 -4,-0.1 3,-1.0 0.389 92.2 102.6-132.0 -8.8 -24.7 51.6 27.4 194 194 A A H 3X S+ 0 0 1 -4,-1.3 4,-2.0 1,-0.3 5,-0.2 0.858 80.2 51.6 -43.2 -51.0 -27.6 49.3 28.3 195 195 A D H 3> S+ 0 0 106 -4,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.818 106.4 54.4 -64.6 -30.4 -27.0 47.0 25.4 196 196 A I H X> S+ 0 0 36 -3,-1.0 3,-1.5 2,-0.2 4,-0.7 0.995 110.9 41.3 -66.5 -63.7 -23.3 46.5 26.1 197 197 A L H >X S+ 0 0 0 -4,-1.4 3,-2.9 1,-0.3 4,-1.2 0.934 111.6 56.7 -48.8 -57.8 -23.6 45.4 29.8 198 198 A T H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.720 103.1 55.6 -49.9 -25.9 -26.6 43.1 29.0 199 199 A S H << S+ 0 0 90 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.650 106.2 50.0 -84.3 -14.2 -24.5 41.3 26.4 200 200 A M H << S+ 0 0 3 -3,-2.9 -101,-1.6 -4,-0.7 -2,-0.2 0.619 86.3 117.4 -94.5 -12.6 -21.8 40.5 28.9 201 201 A V E < +f 99 0A 30 -4,-1.2 2,-0.3 -103,-0.2 -101,-0.2 -0.234 35.2 156.6 -58.2 138.5 -24.4 39.2 31.3 202 202 A V E -f 100 0A 46 -103,-1.4 2,-1.1 0, 0.0 -101,-0.6 -0.862 54.8 -90.0-150.8 173.0 -24.1 35.4 32.2 203 203 A D > - 0 0 89 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 -0.840 45.0-176.8 -96.4 94.2 -25.2 33.1 35.1 204 204 A V H > S+ 0 0 4 -2,-1.1 4,-3.1 2,-0.2 5,-0.2 0.927 75.8 44.4 -59.8 -49.4 -22.1 33.6 37.2 205 205 A S H > S+ 0 0 56 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.827 118.2 43.7 -67.3 -38.3 -23.0 31.1 40.1 206 206 A D H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.1 3,-0.4 0.934 114.2 53.8 -71.0 -43.2 -24.2 28.4 37.7 207 207 A L H X S+ 0 0 23 -4,-2.8 4,-1.7 1,-0.2 3,-0.3 0.920 109.6 45.0 -51.4 -59.0 -21.1 29.2 35.6 208 208 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.738 105.0 63.0 -59.3 -28.6 -18.6 28.7 38.5 209 209 A D H X S+ 0 0 53 -4,-1.0 4,-2.7 -3,-0.4 -1,-0.2 0.944 106.2 45.8 -62.7 -41.8 -20.4 25.5 39.6 210 210 A Q H X S+ 0 0 55 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.911 111.9 49.4 -66.1 -48.1 -19.5 23.9 36.2 211 211 A A H X>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 4,-1.7 0.922 112.8 49.3 -56.7 -45.6 -15.8 25.1 36.4 212 212 A R H <5S+ 0 0 80 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.933 109.8 49.6 -60.4 -50.8 -15.6 23.7 39.9 213 213 A Q H <5S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.4 43.7 -58.7 -32.6 -17.1 20.4 38.8 214 214 A R H <5S- 0 0 152 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.647 116.4-115.0 -83.7 -24.0 -14.5 20.4 35.9 215 215 A G T <5 + 0 0 29 -4,-1.7 -3,-0.2 -3,-0.3 -4,-0.1 0.792 51.2 169.6 94.5 32.9 -11.6 21.5 38.1 216 216 A D < - 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