==== 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 18-JUN-96 1GIN . 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) . 17665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.2 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 26.5 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 0 1 0 1 2 1 1 0 1 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 4 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 PARALLEL BRIDGES PER LADDER . 3 1 3 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 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 18 0, 0.0 3,-0.1 0, 0.0 260,-0.1 0.000 360.0 360.0 360.0 158.7 -6.8 24.8 45.1 2 2 A N + 0 0 67 1,-0.2 216,-2.8 215,-0.1 2,-0.7 0.815 360.0 52.4 -68.2 -34.6 -9.1 25.5 42.2 3 3 A N E +a 218 0A 4 214,-0.2 258,-1.8 425,-0.1 257,-1.6 -0.861 69.2 177.1-111.1 105.9 -10.8 28.5 43.9 4 4 A V E -ab 219 261A 0 214,-2.2 216,-2.3 -2,-0.7 2,-0.3 -0.901 12.9-159.0-111.5 130.4 -8.4 31.1 45.1 5 5 A V E -ab 220 262A 0 256,-2.9 258,-3.5 -2,-0.5 2,-0.4 -0.813 3.4-164.1-102.3 142.9 -9.5 34.3 46.8 6 6 A V E +ab 221 263A 0 214,-2.4 216,-3.4 -2,-0.3 2,-0.3 -0.994 24.9 151.7-127.6 120.1 -7.2 37.3 46.9 7 7 A L E - b 0 264A 2 256,-2.3 258,-3.8 -2,-0.4 2,-0.4 -0.887 45.2 -91.3-144.5 173.6 -8.0 40.1 49.3 8 8 A G E - b 0 265A 1 216,-0.5 218,-1.3 215,-0.3 258,-0.1 -0.731 19.1-166.0 -89.0 133.4 -6.7 42.9 51.5 9 9 A T S S+ 0 0 1 256,-1.7 309,-0.3 -2,-0.4 -1,-0.1 0.558 79.3 27.6 -93.6 -3.5 -5.9 42.2 55.1 10 10 A Q S S- 0 0 8 255,-0.2 217,-1.9 214,-0.1 218,-0.3 0.396 123.0 -44.5-120.2-116.4 -5.7 45.9 56.1 11 11 A W S S- 0 0 5 1,-0.5 262,-0.3 260,-0.3 214,-0.3 -0.117 88.8 -96.8-118.3 33.7 -7.3 49.0 54.7 12 12 A G S S+ 0 0 1 212,-0.3 -1,-0.5 253,-0.1 259,-0.2 -0.093 97.1 86.4 78.8 176.4 -6.8 48.3 51.0 13 13 A D + 0 0 46 -3,-0.1 -1,-0.1 211,-0.1 212,-0.1 0.716 54.8 125.3 60.0 24.3 -4.1 49.5 48.7 14 14 A E S S- 0 0 2 210,-0.2 252,-0.2 251,-0.1 316,-0.1 0.699 90.3 -86.1 -80.3 -25.7 -1.9 46.6 49.8 15 15 A G S > S+ 0 0 28 250,-0.1 4,-1.5 315,-0.1 5,-0.1 0.705 72.7 147.9 122.4 40.6 -1.4 45.5 46.2 16 16 A K H > S+ 0 0 5 2,-0.2 4,-3.2 3,-0.1 5,-0.3 0.987 72.9 56.3 -63.7 -59.1 -4.3 43.2 45.1 17 17 A G H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.893 108.1 45.5 -37.2 -68.6 -4.2 44.3 41.4 18 18 A K H > S+ 0 0 18 24,-0.4 4,-2.5 1,-0.2 5,-0.3 0.947 117.0 45.6 -43.5 -61.8 -0.5 43.4 40.9 19 19 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.894 112.7 48.5 -52.9 -46.7 -0.9 40.0 42.6 20 20 A V H X S+ 0 0 0 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.951 111.7 50.8 -61.8 -46.1 -4.1 39.0 40.9 21 21 A D H >< S+ 0 0 1 -4,-2.8 3,-0.6 -5,-0.3 -2,-0.2 0.938 111.5 46.0 -56.0 -51.9 -2.7 39.9 37.5 22 22 A L H >< S+ 0 0 25 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.3 0.816 113.9 52.3 -58.1 -33.0 0.4 37.9 38.0 23 23 A L H >< S+ 0 0 4 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.698 89.4 72.7 -82.3 -17.9 -1.6 35.0 39.3 24 24 A T G X< + 0 0 0 -4,-1.5 3,-0.9 -3,-0.6 -1,-0.2 0.246 63.1 102.8 -84.0 17.3 -4.2 34.5 36.5 25 25 A E G < S+ 0 0 121 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.866 96.5 30.8 -64.6 -33.0 -1.6 33.1 34.2 26 26 A R G < S+ 0 0 95 -3,-1.0 2,-0.4 38,-0.0 -1,-0.3 0.127 104.7 104.8-108.6 16.0 -3.2 29.7 35.1 27 27 A A < - 0 0 0 -3,-0.9 191,-0.2 1,-0.1 3,-0.1 -0.816 49.2-165.1-108.6 142.9 -6.8 31.0 35.7 28 28 A K S S+ 0 0 108 189,-2.2 37,-3.5 -2,-0.4 2,-0.3 0.894 79.3 20.5 -86.3 -45.1 -9.9 30.7 33.5 29 29 A Y E -cd 65 218A 34 188,-1.5 190,-1.8 35,-0.3 2,-0.4 -0.867 57.7-160.6-124.0 157.5 -12.1 33.3 35.2 30 30 A V E -cd 66 219A 0 35,-1.9 37,-3.1 -2,-0.3 2,-0.5 -0.979 18.8-160.8-132.5 122.3 -11.3 36.3 37.5 31 31 A V E -cd 67 220A 0 188,-3.4 190,-2.4 -2,-0.4 2,-0.6 -0.934 14.6-156.1-117.7 125.2 -14.3 37.5 39.5 32 32 A R E +cd 68 221A 0 35,-2.5 37,-2.9 -2,-0.5 40,-0.3 -0.835 18.6 175.8 -88.8 125.0 -14.8 40.9 41.2 33 33 A Y + 0 0 1 188,-0.7 2,-0.3 -2,-0.6 -1,-0.1 0.531 50.6 25.1-111.6 -8.6 -17.4 40.3 44.0 34 34 A Q S S+ 0 0 5 187,-0.4 38,-0.2 2,-0.1 2,-0.1 -0.982 89.9 21.3-153.5 165.7 -17.7 43.6 45.9 35 35 A G B -j 72 0B 0 36,-0.6 38,-3.0 -2,-0.3 2,-0.2 -0.439 63.6-123.1 79.4-153.7 -17.4 47.4 45.8 36 36 A G > - 0 0 0 36,-0.2 3,-1.1 -2,-0.1 38,-0.1 -0.651 61.1 -32.3-159.5-138.5 -17.5 49.4 42.7 37 37 A H T 3 S+ 0 0 27 36,-0.4 17,-0.2 1,-0.2 -2,-0.1 0.129 108.8 91.5 -87.2 22.7 -15.3 51.9 41.0 38 38 A N T 3 + 0 0 13 15,-0.1 -1,-0.2 16,-0.1 2,-0.2 0.714 69.7 89.6 -82.2 -22.8 -14.0 53.2 44.3 39 39 A A < - 0 0 4 -3,-1.1 2,-0.4 14,-0.2 184,-0.0 -0.506 61.2-167.4 -75.0 141.2 -11.2 50.7 44.0 40 40 A G + 0 0 12 -2,-0.2 259,-0.3 14,-0.1 2,-0.2 -0.954 10.1 179.3-134.7 107.7 -8.1 51.9 42.2 41 41 A H - 0 0 13 11,-2.6 2,-0.4 -2,-0.4 11,-0.3 -0.697 14.4-150.4-106.8 161.9 -5.7 49.1 41.3 42 42 A T - 0 0 54 -2,-0.2 -24,-0.4 9,-0.2 2,-0.4 -0.932 10.9-176.3-141.2 111.1 -2.4 49.5 39.5 43 43 A L E -K 50 0C 1 7,-3.3 7,-3.0 -2,-0.4 2,-0.4 -0.874 7.8-164.6-104.0 143.4 -0.8 46.8 37.2 44 44 A V E +K 49 0C 18 373,-0.5 375,-2.5 -2,-0.4 2,-0.4 -0.981 9.2 177.4-133.7 117.2 2.6 47.5 35.8 45 45 A I E > S-K 48 0C 25 3,-3.7 3,-2.8 -2,-0.4 373,-0.1 -0.957 74.8 -19.6-126.9 116.0 3.9 45.4 32.8 46 46 A N T 3 S- 0 0 154 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.927 128.0 -58.0 55.2 39.1 7.3 46.0 31.1 47 47 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.432 110.8 130.6 72.7 -7.2 6.8 49.4 32.7 48 48 A E E < -K 45 0C 101 -3,-2.8 -3,-3.7 1,-0.0 2,-0.4 -0.697 49.3-147.3 -79.2 134.7 3.5 49.9 30.9 49 49 A K E -K 44 0C 121 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.883 20.8-179.2-112.4 138.8 1.1 51.0 33.6 50 50 A T E -K 43 0C 5 -7,-3.0 -7,-3.3 -2,-0.4 2,-0.6 -0.996 9.6-162.3-133.2 131.5 -2.6 50.3 33.8 51 51 A V - 0 0 55 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.943 15.6-173.6-117.6 105.4 -4.9 51.5 36.6 52 52 A L + 0 0 1 -2,-0.6 -11,-2.6 -11,-0.3 -35,-0.1 -0.458 17.1 166.0 -94.1 166.6 -8.1 49.6 36.8 53 53 A H S S+ 0 0 38 -13,-0.2 -14,-0.2 -2,-0.1 -15,-0.1 0.334 79.7 12.8-139.7 -65.9 -11.1 50.4 39.0 54 54 A L S S+ 0 0 0 -17,-0.2 25,-0.1 24,-0.1 -22,-0.1 0.879 109.5 84.7 -88.1 -37.7 -14.3 48.6 38.0 55 55 A I S S- 0 0 1 1,-0.1 -3,-0.0 24,-0.1 12,-0.0 -0.419 88.9-107.9 -72.9 125.9 -12.8 46.1 35.6 56 56 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.154 29.1-114.7 -50.1 151.0 -11.3 42.9 37.1 57 57 A S T 3 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.1 -33,-0.1 0.426 106.6 68.4 -71.1 -0.3 -7.5 42.7 37.1 58 58 A G T > + 0 0 0 1,-0.2 3,-3.1 2,-0.1 -1,-0.3 0.577 65.4 108.2 -95.3 -6.0 -7.2 39.8 34.7 59 59 A I T < S+ 0 0 0 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.617 71.3 59.0 -43.7 -25.1 -8.4 41.8 31.7 60 60 A L T 3 S+ 0 0 36 -3,-0.4 2,-0.6 31,-0.1 -1,-0.3 0.619 90.4 80.8 -84.4 -10.8 -5.0 42.0 30.1 61 61 A R X - 0 0 23 -3,-3.1 3,-1.0 1,-0.1 -3,-0.0 -0.822 67.5-156.6 -97.4 129.2 -4.7 38.2 29.9 62 62 A E T 3 S+ 0 0 144 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.514 85.9 64.7 -82.8 -1.1 -6.6 36.8 27.0 63 63 A N T 3 S+ 0 0 83 -39,-0.1 2,-0.4 -36,-0.0 -1,-0.2 0.282 94.0 72.8-101.5 9.9 -7.0 33.3 28.4 64 64 A V S < S- 0 0 2 -3,-1.0 2,-0.6 -6,-0.2 -35,-0.3 -0.976 70.2-142.1-128.5 139.7 -9.2 34.5 31.3 65 65 A T E -c 29 0A 46 -37,-3.5 -35,-1.9 -2,-0.4 2,-0.5 -0.854 20.0-142.9 -97.5 126.9 -12.7 35.7 31.3 66 66 A S E -ce 30 97A 0 30,-2.2 32,-2.4 -2,-0.6 2,-0.4 -0.797 19.2-173.5 -93.6 129.5 -13.3 38.6 33.7 67 67 A I E -ce 31 98A 0 -37,-3.1 -35,-2.5 -2,-0.5 2,-0.7 -0.976 19.2-154.4-122.4 132.5 -16.6 38.5 35.6 68 68 A I E -ce 32 99A 1 30,-1.8 32,-1.5 -2,-0.4 -35,-0.2 -0.941 30.8-144.8-104.2 108.1 -18.0 41.3 37.8 69 69 A G > - 0 0 0 -37,-2.9 3,-2.2 -2,-0.7 183,-0.2 -0.285 28.2 -89.1 -72.7 163.5 -20.4 39.3 40.1 70 70 A N T 3 S+ 0 0 33 1,-0.3 182,-0.2 182,-0.3 -1,-0.1 0.490 117.0 72.1 -47.7 -13.6 -23.7 40.5 41.6 71 71 A G T 3 S+ 0 0 6 180,-1.8 -36,-0.6 -39,-0.2 2,-0.4 0.568 77.9 95.2 -83.7 -6.2 -22.0 42.0 44.7 72 72 A V B < S-j 35 0B 0 -3,-2.2 2,-1.0 179,-0.3 -36,-0.2 -0.677 73.1-136.2 -88.7 134.2 -20.5 44.9 42.7 73 73 A V - 0 0 0 -38,-3.0 2,-0.4 -2,-0.4 -36,-0.4 -0.801 33.8-152.3 -88.1 105.4 -22.3 48.3 42.5 74 74 A L B -l 105 0D 0 30,-2.0 32,-2.3 -2,-1.0 -38,-0.1 -0.704 15.7-160.8 -93.2 130.4 -21.9 49.0 38.8 75 75 A S > - 0 0 11 -2,-0.4 4,-3.1 30,-0.2 5,-0.2 -0.919 4.0-160.7-106.9 115.0 -21.8 52.4 37.3 76 76 A P H > S+ 0 0 6 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.950 92.8 49.1 -59.4 -49.9 -22.5 52.4 33.5 77 77 A A H > S+ 0 0 69 29,-0.3 4,-2.1 1,-0.2 5,-0.1 0.925 116.0 45.0 -54.6 -47.9 -20.9 55.8 32.9 78 78 A A H > S+ 0 0 20 28,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 110.9 52.7 -64.8 -46.1 -17.9 54.6 34.8 79 79 A L H >X S+ 0 0 1 -4,-3.1 4,-3.7 2,-0.2 3,-0.6 0.966 110.9 47.0 -52.5 -57.6 -17.7 51.2 33.1 80 80 A M H 3X S+ 0 0 30 -4,-2.8 4,-2.9 1,-0.3 5,-0.3 0.939 108.4 53.8 -51.8 -56.4 -17.8 52.7 29.6 81 81 A K H 3X S+ 0 0 126 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.848 116.7 40.3 -47.2 -39.4 -15.1 55.3 30.4 82 82 A E H <>S+ 0 0 6 -4,-2.2 5,-1.4 1,-0.2 3,-1.3 0.968 111.5 49.2 -67.1 -49.9 -8.7 49.8 27.7 87 87 A E H ><5S+ 0 0 57 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.788 106.1 58.8 -59.4 -28.9 -10.0 49.1 24.3 88 88 A D H 3<5S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.756 99.1 58.6 -69.8 -27.3 -7.9 51.9 22.9 89 89 A R T <<5S- 0 0 93 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.181 130.8 -92.5 -86.6 15.9 -4.8 50.2 24.2 90 90 A G T < 5S+ 0 0 67 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.2 0.795 87.0 132.8 79.5 25.5 -5.5 47.2 22.1 91 91 A I < - 0 0 17 -5,-1.4 2,-2.4 -6,-0.1 -1,-0.2 -0.946 52.6-144.5-112.0 114.7 -7.4 45.4 24.9 92 92 A P >> + 0 0 34 0, 0.0 3,-2.4 0, 0.0 4,-1.0 -0.347 27.2 173.5 -76.8 67.8 -10.7 43.9 23.6 93 93 A V H >> S+ 0 0 0 -2,-2.4 4,-2.0 -10,-0.3 3,-1.2 0.849 74.4 49.2 -40.9 -52.2 -12.6 44.5 26.9 94 94 A R H 34 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.2 -11,-0.0 0.680 103.4 61.9 -69.1 -13.1 -16.0 43.4 25.6 95 95 A E H <4 S+ 0 0 153 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.785 119.3 25.4 -81.0 -21.5 -14.6 40.3 24.2 96 96 A R H << S+ 0 0 30 -3,-1.2 -30,-2.2 -4,-1.0 2,-0.4 0.557 99.7 88.1-121.0 -11.7 -13.6 39.2 27.7 97 97 A L E < +e 66 0A 3 -4,-2.0 2,-0.3 -5,-0.2 -30,-0.2 -0.766 41.9 171.2 -97.1 136.9 -15.8 40.8 30.3 98 98 A L E -e 67 0A 48 -32,-2.4 -30,-1.8 -2,-0.4 2,-0.3 -0.911 10.0-174.2-131.6 159.6 -19.2 39.4 31.5 99 99 A L E -ef 68 201A 0 101,-1.8 103,-2.4 -2,-0.3 2,-0.4 -0.942 26.1 -92.6-152.0 170.8 -21.3 40.6 34.4 100 100 A S E > - f 0 202A 10 -32,-1.5 3,-1.6 -2,-0.3 48,-0.3 -0.792 14.2-144.4 -94.1 137.2 -24.3 39.9 36.5 101 101 A E T 3 S+ 0 0 89 101,-0.7 48,-3.5 -2,-0.4 49,-0.3 0.665 100.6 69.4 -66.0 -17.0 -27.8 41.2 35.7 102 102 A A T 3 + 0 0 17 46,-0.2 -1,-0.3 45,-0.2 -33,-0.0 0.201 69.3 117.1 -87.6 10.4 -28.1 41.4 39.5 103 103 A C < - 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0 0 30 -3,-2.0 150,-0.2 1,-0.2 -7,-0.1 -0.096 45.0-146.1 -42.0 129.3 -16.8 62.9 57.2 126 126 A I - 0 0 43 148,-0.1 149,-1.1 110,-0.0 -1,-0.2 0.789 34.6-124.9 -70.5 -24.3 -16.1 59.3 56.5 127 127 A G - 0 0 24 147,-0.2 -2,-0.1 1,-0.1 2,-0.1 0.908 42.4-175.4 78.6 46.9 -13.7 60.5 53.8 128 128 A T - 0 0 47 -14,-0.1 -1,-0.1 1,-0.1 146,-0.1 -0.329 40.0-113.4 -75.9 158.2 -15.4 58.4 51.1 129 129 A T - 0 0 31 1,-0.1 -1,-0.1 -2,-0.1 145,-0.0 0.599 47.9-126.8 -65.7 -10.4 -14.1 58.2 47.5 130 130 A G S S+ 0 0 16 -16,-0.1 -15,-0.1 1,-0.1 -1,-0.1 0.894 71.2 125.8 64.4 45.7 -17.3 60.0 46.6 131 131 A R S S- 0 0 82 -17,-0.1 -20,-0.2 -21,-0.0 -94,-0.1 0.382 81.9-106.8-110.4 -3.4 -18.5 57.6 43.9 132 132 A G S > S+ 0 0 0 -21,-0.2 4,-2.1 -22,-0.2 5,-0.2 0.682 75.2 137.4 83.7 18.7 -22.0 57.0 45.3 133 133 A I H > + 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.969 69.4 51.8 -60.3 -52.8 -21.1 53.5 46.5 134 134 A G H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.928 112.4 42.0 -50.1 -61.6 -22.9 54.0 49.8 135 135 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.880 110.5 56.8 -56.8 -40.8 -26.2 55.1 48.3 136 136 A A H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.935 110.6 46.0 -56.1 -45.8 -26.1 52.5 45.6 137 137 A Y H X S+ 0 0 23 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.806 110.2 54.3 -64.4 -35.2 -25.8 49.9 48.4 138 138 A E H X S+ 0 0 69 -4,-1.9 4,-3.6 2,-0.2 -2,-0.2 0.988 107.6 47.3 -63.9 -58.3 -28.6 51.5 50.4 139 139 A D H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-2.1 0.869 113.0 54.3 -49.4 -40.4 -31.1 51.4 47.5 140 140 A K H ><5S+ 0 0 83 -4,-1.6 3,-1.4 -5,-0.3 -1,-0.2 0.985 115.2 34.2 -55.3 -65.9 -30.0 47.8 47.1 141 141 A V H 3<5S+ 0 0 122 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.878 115.4 59.2 -60.7 -38.1 -30.7 46.7 50.7 142 142 A A T 3<5S- 0 0 36 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.2 0.113 111.5-122.9 -77.0 16.6 -33.7 49.0 50.9 143 143 A R T < 5S+ 0 0 231 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.723 89.7 92.6 44.4 40.8 -35.2 47.2 48.0 144 144 A R < + 0 0 93 -5,-2.8 -4,-0.2 -6,-0.2 -1,-0.2 0.425 53.1 114.5-131.1 -11.6 -35.6 50.2 45.7 145 145 A G - 0 0 22 -6,-2.1 2,-0.3 -7,-0.2 -39,-0.1 -0.194 63.9-122.3 -64.5 156.5 -32.4 50.1 43.7 146 146 A L - 0 0 5 -41,-0.3 -41,-2.4 15,-0.0 2,-0.2 -0.756 28.8-155.0 -97.4 145.2 -32.3 49.5 39.9 147 147 A R B > -M 104 0E 120 -2,-0.3 3,-2.1 -43,-0.3 -45,-0.2 -0.698 31.9-101.3-119.0 168.9 -30.2 46.5 38.7 148 148 A V G > S+ 0 0 0 -45,-2.1 3,-1.9 -48,-0.3 4,-0.4 0.888 120.2 62.1 -54.1 -39.0 -28.4 45.6 35.5 149 149 A G G > S+ 0 0 25 -48,-3.5 3,-0.5 1,-0.3 -1,-0.3 0.610 88.6 71.8 -65.7 -10.4 -31.3 43.3 34.6 150 150 A D G < S+ 0 0 41 -3,-2.1 -1,-0.3 -49,-0.3 3,-0.3 0.377 83.0 68.9 -85.2 2.7 -33.7 46.3 34.6 151 151 A L G < S+ 0 0 2 -3,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.657 79.5 78.4 -89.8 -17.8 -32.2 47.6 31.3 152 152 A F S < S+ 0 0 112 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.2 0.717 102.0 38.8 -62.9 -16.9 -33.7 44.6 29.5 153 153 A D > - 0 0 73 -3,-0.3 4,-3.0 1,-0.1 -1,-0.3 -0.793 68.1-179.5-138.1 97.2 -37.0 46.5 29.6 154 154 A K H > S+ 0 0 85 -2,-0.4 4,-2.7 -3,-0.3 5,-0.1 0.822 80.7 50.7 -68.7 -36.5 -36.8 50.3 29.1 155 155 A E H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.973 117.3 42.8 -64.8 -48.9 -40.4 51.4 29.4 156 156 A T H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.952 112.8 54.9 -55.9 -49.8 -40.5 49.5 32.6 157 157 A F H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.846 105.0 52.6 -51.3 -42.8 -37.1 50.9 33.4 158 158 A A H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.901 108.7 50.3 -61.2 -46.7 -38.4 54.5 32.9 159 159 A E H X S+ 0 0 124 -4,-2.0 4,-1.9 -3,-0.2 -2,-0.2 0.974 115.2 41.6 -55.1 -60.5 -41.3 54.0 35.3 160 160 A K H X S+ 0 0 80 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.932 113.1 51.9 -54.4 -54.5 -39.0 52.6 38.1 161 161 A L H >X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 3,-0.7 0.935 107.5 57.8 -50.1 -44.4 -36.3 55.2 37.5 162 162 A K H 3X S+ 0 0 93 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.930 107.9 42.8 -51.0 -55.7 -39.1 57.8 37.8 163 163 A E H 3X S+ 0 0 135 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.674 117.1 47.0 -70.8 -14.5 -40.2 56.7 41.3 164 164 A V H S+ 0 0 135 -4,-2.6 4,-2.5 1,-0.2 5,-0.6 0.985 109.3 37.9 -55.3 -66.1 -36.9 65.2 47.3 171 171 A Q H X>S+ 0 0 35 -4,-1.6 5,-2.5 1,-0.2 4,-0.9 0.853 114.4 60.3 -58.0 -31.7 -34.5 64.6 50.1 172 172 A L H <5S+ 0 0 2 -4,-2.2 6,-2.9 -5,-0.2 -1,-0.2 0.957 119.7 22.5 -61.9 -50.3 -31.8 66.1 47.9 173 173 A V H X5S+ 0 0 56 -4,-2.9 4,-0.7 4,-0.3 -2,-0.2 0.968 130.9 41.3 -81.7 -52.1 -33.5 69.5 47.5 174 174 A N H <5S+ 0 0 78 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.890 129.0 22.1 -63.7 -48.8 -35.7 69.6 50.5 175 175 A Y T < - 0 0 99 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.530 14.6-152.6 -74.5 123.4 -32.5 65.5 36.2 183 183 A Y H > S+ 0 0 46 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.887 95.5 49.7 -55.5 -44.0 -34.6 62.5 35.4 184 184 A Q H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.823 107.5 52.8 -69.7 -33.3 -34.2 63.0 31.6 185 185 A K H > S+ 0 0 127 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.993 113.7 43.8 -64.2 -54.9 -30.5 63.4 31.7 186 186 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.920 113.4 51.3 -54.6 -48.8 -30.1 60.1 33.6 187 187 A L H X S+ 0 0 21 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.925 111.7 46.9 -57.5 -42.9 -32.6 58.3 31.4 188 188 A D H X S+ 0 0 81 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.941 114.4 45.8 -65.0 -47.7 -30.9 59.4 28.2 189 189 A D H >X S+ 0 0 79 -4,-2.6 3,-1.3 2,-0.2 4,-0.7 0.984 114.4 46.4 -58.2 -59.3 -27.4 58.4 29.4 190 190 A T H >X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.3 3,-1.2 0.897 112.5 51.7 -52.5 -40.6 -28.4 55.1 30.8 191 191 A M H 3< S+ 0 0 40 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.3 0.736 97.6 66.2 -71.5 -20.9 -30.4 54.3 27.7 192 192 A A H << S+ 0 0 81 -4,-1.3 -1,-0.3 -3,-1.3 -2,-0.2 0.683 117.6 24.9 -73.5 -17.6 -27.5 55.1 25.4 193 193 A V H XX S+ 0 0 24 -3,-1.2 4,-2.0 -4,-0.7 3,-1.1 0.564 87.2 105.6-119.5 -17.6 -25.5 52.1 26.8 194 194 A A H 3X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.3 5,-0.2 0.806 87.6 48.1 -28.9 -49.2 -28.2 49.8 28.1 195 195 A D H 3> S+ 0 0 97 -4,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.911 107.6 53.4 -64.3 -44.6 -27.6 47.6 25.0 196 196 A I H <> S+ 0 0 41 -3,-1.1 4,-0.6 1,-0.2 -2,-0.2 0.942 115.4 42.2 -55.4 -48.3 -23.8 47.6 25.5 197 197 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.912 112.1 51.2 -65.8 -50.8 -24.3 46.4 29.1 198 198 A T H >< S+ 0 0 28 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.787 99.9 64.9 -63.2 -26.1 -27.0 43.9 28.5 199 199 A S H 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.839 102.5 50.0 -66.2 -25.7 -25.0 42.2 25.8 200 200 A M T << S+ 0 0 7 -3,-1.2 -101,-1.8 -4,-0.6 -1,-0.2 0.486 83.0 123.7 -92.1 1.2 -22.5 41.2 28.4 201 201 A V E < +f 99 0A 32 -3,-1.2 2,-0.3 -4,-0.3 -101,-0.2 -0.341 30.4 163.4 -64.2 136.6 -25.0 39.7 30.9 202 202 A V E -f 100 0A 36 -103,-2.4 2,-1.0 -2,-0.1 -101,-0.7 -0.868 48.0-102.9-143.0 168.3 -24.4 36.2 32.0 203 203 A D > - 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g 0 329A 0 62,-2.6 64,-5.9 -2,-0.3 4,-0.1 -0.996 13.0-156.4-131.8 122.8 0.2 42.2 53.3 267 267 A K - 0 0 1 2,-0.3 62,-0.1 -2,-0.3 3,-0.1 0.171 28.8-126.6 -99.9 18.3 2.0 45.5 52.6 268 268 A A S S+ 0 0 0 1,-0.1 42,-0.3 66,-0.0 2,-0.2 0.435 95.7 34.9 56.4 -11.0 5.1 45.2 55.0 269 269 A Y S S- 0 0 0 40,-0.1 2,-0.4 61,-0.1 -2,-0.3 -0.825 92.0-106.9-164.6 161.9 3.9 48.7 56.2 270 270 A S E +N 308 0F 1 38,-1.7 38,-2.2 -2,-0.2 2,-0.3 -0.960 28.7 172.9-115.6 143.3 0.5 50.3 56.7 271 271 A T E -N 307 0F 2 -2,-0.4 -260,-0.3 36,-0.2 2,-0.3 -0.921 4.7-176.2-135.7 162.7 -1.5 53.0 54.9 272 272 A R E -N 306 0F 5 34,-1.7 34,-3.0 -2,-0.3 2,-0.4 -0.953 9.7-159.0-156.6 134.9 -5.1 54.3 55.3 273 273 A V + 0 0 41 -262,-0.3 2,-0.1 -2,-0.3 32,-0.1 -0.997 63.0 25.1-117.3 130.0 -7.0 57.0 53.2 274 274 A G S S- 0 0 18 -2,-0.4 -147,-0.2 -146,-0.1 32,-0.1 -0.341 103.2 -42.5 108.0 168.2 -9.9 58.6 54.8 275 275 A A S S+ 0 0 36 -149,-1.1 -2,-0.1 -150,-0.2 -151,-0.0 -0.396 82.1 110.8 -67.6 145.7 -11.1 59.2 58.4 276 276 A G - 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