==== 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 14-SEP-95 1ADI . 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) . 33187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 73 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 3 0 2 2 0 4 2 3 3 1 2 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 3 7 4 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 . 6 2 2 2 1 0 1 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 . 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 10 0, 0.0 430,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.5 25.1 50.2 1.4 2 2 A N + 0 0 65 1,-0.2 216,-3.2 215,-0.1 2,-0.8 0.769 360.0 61.0 -75.4 -32.5 28.2 48.3 0.1 3 3 A N E S+a 218 0A 6 214,-0.2 258,-1.9 255,-0.1 257,-1.0 -0.864 72.4 178.5-101.0 109.8 26.6 47.9 -3.3 4 4 A V E -ab 219 261A 0 214,-3.2 216,-4.3 -2,-0.8 2,-0.5 -0.857 17.6-158.7-115.9 136.8 26.0 51.3 -4.9 5 5 A V E -ab 220 262A 0 256,-2.4 258,-3.0 -2,-0.4 2,-0.5 -0.984 10.5-160.2-113.3 120.5 24.5 52.0 -8.4 6 6 A V E +ab 221 263A 0 214,-3.5 216,-2.9 -2,-0.5 2,-0.3 -0.858 27.2 142.6-102.5 122.8 25.3 55.4 -9.8 7 7 A L E - b 0 264A 0 256,-2.2 258,-3.3 -2,-0.5 2,-0.3 -0.992 45.7-105.1-159.5 159.9 23.1 56.7 -12.6 8 8 A G E - b 0 265A 0 216,-0.5 218,-2.0 -2,-0.3 258,-0.2 -0.621 16.0-155.8 -87.6 141.8 21.3 59.7 -14.1 9 9 A T S S+ 0 0 0 256,-2.2 309,-0.1 -2,-0.3 257,-0.1 0.387 73.0 39.9-100.9 6.2 17.6 60.3 -13.8 10 10 A Q S S- 0 0 7 255,-0.3 217,-2.5 216,-0.1 218,-0.2 0.352 113.7 -54.1-118.0-115.8 16.9 62.5 -16.9 11 11 A W S S- 0 0 21 1,-0.6 262,-0.4 260,-0.3 2,-0.2 -0.089 89.7 -81.8-124.5 29.7 18.1 62.5 -20.5 12 12 A G S S+ 0 0 13 212,-0.1 -1,-0.6 260,-0.1 259,-0.2 -0.484 102.3 83.1 97.3-179.7 21.9 62.6 -19.9 13 13 A D + 0 0 29 1,-0.2 -1,-0.0 -2,-0.2 211,-0.0 0.616 49.7 130.1 60.4 9.5 24.1 65.6 -19.1 14 14 A E S S- 0 0 2 251,-0.1 -1,-0.2 253,-0.1 254,-0.1 0.777 77.4-117.0 -65.4 -19.6 23.1 65.4 -15.4 15 15 A G + 0 0 44 250,-0.1 4,-0.4 252,-0.1 251,-0.1 0.940 51.1 166.0 80.0 71.5 26.9 65.6 -14.8 16 16 A K > + 0 0 34 2,-0.1 4,-3.1 1,-0.1 5,-0.2 0.672 54.1 86.6 -89.7 -17.0 27.6 62.3 -13.1 17 17 A G H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.860 86.9 43.5 -49.8 -57.1 31.4 62.6 -13.6 18 18 A K H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 118.1 47.1 -59.4 -51.0 32.5 64.5 -10.6 19 19 A I H > S+ 0 0 2 -4,-0.4 4,-2.3 1,-0.2 5,-0.3 0.925 111.0 50.7 -56.2 -49.6 30.3 62.4 -8.3 20 20 A V H X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.871 110.2 51.6 -56.4 -40.4 31.4 59.1 -9.8 21 21 A D H < S+ 0 0 53 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.863 110.8 48.6 -63.8 -37.4 35.0 60.2 -9.3 22 22 A L H >< S+ 0 0 22 -4,-2.0 3,-0.8 -5,-0.2 4,-0.3 0.945 110.7 46.2 -67.6 -51.7 34.3 61.0 -5.6 23 23 A L H >X S+ 0 0 12 -4,-2.3 3,-2.1 1,-0.3 4,-1.8 0.860 98.9 73.9 -60.1 -33.8 32.5 57.7 -4.7 24 24 A T T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.173 82.1 73.2 -68.5 20.1 35.4 55.9 -6.5 25 25 A E T <4 S+ 0 0 70 -3,-0.8 -1,-0.3 -2,-0.4 -2,-0.2 0.718 108.7 27.1-102.9 -34.7 37.5 56.8 -3.5 26 26 A R T <4 S+ 0 0 94 -3,-2.1 191,-0.3 -4,-0.3 -2,-0.2 0.734 97.8 106.4-100.7 -24.9 35.9 54.3 -1.2 27 27 A A < - 0 0 5 -4,-1.8 191,-0.2 1,-0.1 3,-0.1 -0.150 49.5-165.6 -53.6 143.0 34.8 51.8 -3.8 28 28 A K S S+ 0 0 53 189,-3.3 37,-1.8 1,-0.4 2,-0.4 0.774 81.7 22.1 -96.4 -39.8 36.8 48.6 -3.8 29 29 A Y E -cd 65 218A 15 188,-2.0 190,-2.8 35,-0.2 2,-0.5 -0.971 67.3-158.5-128.1 140.2 35.4 47.7 -7.2 30 30 A V E -cd 66 219A 0 35,-2.0 37,-2.3 -2,-0.4 2,-0.4 -0.967 20.1-160.5-117.5 127.4 33.8 49.9 -10.0 31 31 A V E -cd 67 220A 0 188,-3.5 190,-4.0 -2,-0.5 2,-0.5 -0.884 20.6-156.1-123.9 139.7 31.6 48.2 -12.5 32 32 A R E +cd 68 221A 4 35,-2.0 37,-2.6 -2,-0.4 40,-0.3 -0.919 18.1 170.1 -99.1 129.2 30.1 48.8 -16.0 33 33 A Y + 0 0 1 188,-0.7 2,-0.3 -2,-0.5 -1,-0.1 0.425 57.5 12.9-119.9 -2.0 26.9 46.8 -16.6 34 34 A Q S S+ 0 0 9 187,-0.3 38,-0.2 2,-0.1 -1,-0.1 -0.971 89.6 39.2-163.8 170.5 25.5 48.2 -19.9 35 35 A G - 0 0 1 36,-0.4 38,-1.7 -2,-0.3 4,-0.1 -0.231 63.3-122.7 78.4-166.2 26.2 50.3 -23.0 36 36 A G - 0 0 0 36,-0.2 2,-0.7 17,-0.1 -2,-0.1 0.038 66.0 -15.4-139.6-117.0 29.5 50.3 -24.9 37 37 A H S S+ 0 0 17 93,-0.3 17,-0.2 92,-0.3 16,-0.1 -0.595 106.1 87.1-100.0 66.4 32.1 52.9 -25.9 38 38 A N + 0 0 42 15,-0.9 -1,-0.2 -2,-0.7 15,-0.1 -0.268 43.9 110.8-159.6 58.8 30.0 56.0 -25.3 39 39 A A - 0 0 25 14,-0.2 14,-0.2 2,-0.1 15,-0.1 0.555 54.8-158.1-109.3 -16.9 30.4 57.0 -21.7 40 40 A G + 0 0 9 1,-0.2 2,-0.5 11,-0.1 13,-0.2 0.768 19.4 172.5 40.5 44.2 32.3 60.2 -22.2 41 41 A H E -J 52 0B 17 11,-2.5 11,-3.3 -25,-0.0 2,-0.3 -0.725 24.0-144.8 -81.9 124.8 33.9 60.4 -18.7 42 42 A T E -J 51 0B 63 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.727 21.4-178.0 -94.0 141.8 36.3 63.3 -19.0 43 43 A L E -J 50 0B 10 7,-3.6 7,-2.1 -2,-0.3 2,-0.5 -0.959 28.0-145.7-139.3 160.5 39.7 63.3 -17.2 44 44 A V E +J 49 0B 110 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.997 27.9 173.3-125.3 115.6 42.8 65.4 -16.5 45 45 A I E > -J 48 0B 16 3,-4.2 3,-2.4 -2,-0.5 -2,-0.0 -0.999 66.9 -21.9-129.0 123.7 45.9 63.2 -16.2 46 46 A N T 3 S- 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.844 130.3 -44.1 44.8 49.4 49.4 64.7 -15.9 47 47 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.633 120.8 111.5 74.3 11.4 48.4 68.0 -17.5 48 48 A E E < -J 45 0B 51 -3,-2.4 -3,-4.2 2,-0.0 2,-0.8 -0.976 59.7-147.9-122.8 126.8 46.4 66.2 -20.2 49 49 A K E +J 44 0B 157 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.3 -0.854 30.5 172.8 -94.3 110.5 42.6 66.2 -20.5 50 50 A T E -J 43 0B 12 -7,-2.1 -7,-3.6 -2,-0.8 2,-0.4 -0.772 25.0-136.9-114.2 163.5 41.6 62.8 -21.9 51 51 A V E -J 42 0B 52 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.991 11.2-157.6-127.0 130.8 38.2 61.3 -22.3 52 52 A L E +J 41 0B 2 -11,-3.3 -11,-2.5 -2,-0.4 5,-0.1 -0.950 17.7 169.8-109.8 123.2 37.4 57.6 -21.5 53 53 A H S S+ 0 0 42 -2,-0.5 -15,-0.9 -13,-0.2 -14,-0.2 0.643 80.7 14.4-104.3 -16.9 34.4 55.9 -23.2 54 54 A L S S+ 0 0 1 -17,-0.2 25,-0.1 24,-0.1 -2,-0.1 0.732 103.6 75.7-125.0 -54.6 35.0 52.3 -22.1 55 55 A I S S- 0 0 5 24,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.464 87.3-108.4 -69.4 128.7 37.5 51.9 -19.2 56 56 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.330 18.7-126.1 -59.9 145.9 36.1 52.8 -15.9 57 57 A S G > S+ 0 0 5 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.690 104.5 78.0 -59.1 -28.3 37.5 56.1 -14.3 58 58 A G G 3 + 0 0 0 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.659 67.6 89.5 -60.1 -12.2 38.3 54.1 -11.2 59 59 A I G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.677 80.8 60.3 -60.9 -15.1 41.3 52.9 -13.2 60 60 A L S < S+ 0 0 50 -3,-1.9 -1,-0.2 31,-0.1 -2,-0.2 0.914 84.8 86.2 -78.4 -44.8 43.2 55.9 -11.8 61 61 A R S > S- 0 0 76 -3,-0.5 3,-1.0 -4,-0.3 -36,-0.0 -0.297 75.7-138.9 -58.6 132.7 42.8 55.0 -8.1 62 62 A E T 3 S+ 0 0 144 1,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.974 95.1 41.1 -59.4 -57.3 45.6 52.7 -7.0 63 63 A N T 3 S+ 0 0 137 2,-0.0 2,-0.3 -34,-0.0 -1,-0.2 0.141 96.6 96.4 -87.1 33.1 43.7 50.3 -4.8 64 64 A V < - 0 0 8 -3,-1.0 2,-0.5 -6,-0.2 -35,-0.2 -0.836 59.8-144.2-120.1 149.7 40.6 49.8 -7.0 65 65 A T E -c 29 0A 26 -37,-1.8 -35,-2.0 -2,-0.3 2,-0.5 -0.967 11.5-150.2-116.1 125.0 39.7 47.2 -9.6 66 66 A S E -ce 30 97A 0 30,-2.2 32,-3.2 -2,-0.5 2,-0.4 -0.818 16.8-171.3 -97.4 127.4 37.8 48.2 -12.7 67 67 A I E -ce 31 98A 0 -37,-2.3 -35,-2.0 -2,-0.5 2,-0.8 -0.960 18.9-149.2-122.7 131.4 35.5 45.5 -14.2 68 68 A I E -ce 32 99A 0 30,-3.0 32,-1.8 -2,-0.4 -35,-0.1 -0.852 27.2-144.6-102.4 108.2 33.6 45.4 -17.4 69 69 A G > - 0 0 0 -37,-2.6 3,-2.6 -2,-0.8 183,-0.2 -0.263 25.3-102.0 -67.3 157.8 30.4 43.4 -17.0 70 70 A N T 3 S+ 0 0 1 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.660 116.2 69.4 -52.1 -22.6 28.7 41.0 -19.5 71 71 A G T 3 S+ 0 0 8 180,-2.4 -36,-0.4 -39,-0.2 -1,-0.3 0.765 83.1 89.8 -69.6 -18.6 26.1 43.7 -20.2 72 72 A V S < S- 0 0 0 -3,-2.6 2,-0.5 179,-0.3 -36,-0.2 -0.512 75.2-137.0 -82.3 141.9 28.8 45.8 -21.9 73 73 A V - 0 0 0 -38,-1.7 2,-0.4 -2,-0.2 32,-0.2 -0.846 29.6-139.0 -94.9 132.9 29.3 45.3 -25.7 74 74 A L B -k 105 0C 0 30,-3.6 32,-3.0 -2,-0.5 3,-0.1 -0.797 23.0-169.6-113.6 140.1 33.1 45.3 -26.4 75 75 A S > - 0 0 12 -2,-0.4 4,-3.2 30,-0.2 5,-0.2 -0.969 10.4-161.3-116.9 111.2 35.4 46.7 -29.0 76 76 A P H > S+ 0 0 10 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.928 98.2 52.3 -57.4 -36.3 39.0 45.4 -29.0 77 77 A A H > S+ 0 0 67 29,-0.3 4,-2.6 2,-0.2 5,-0.1 0.989 112.3 40.9 -59.6 -65.9 39.7 48.5 -31.1 78 78 A A H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.908 120.4 46.7 -46.7 -52.6 38.1 51.0 -28.7 79 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.980 111.1 48.9 -54.1 -66.4 39.6 49.1 -25.7 80 80 A M H X S+ 0 0 54 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.790 109.3 57.4 -46.9 -34.2 43.1 48.8 -27.1 81 81 A K H X S+ 0 0 125 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.992 111.7 36.9 -63.0 -56.4 42.9 52.5 -27.9 82 82 A E H X S+ 0 0 7 -4,-2.1 4,-2.3 -3,-0.2 5,-0.3 0.859 111.5 61.0 -66.1 -34.2 42.2 53.7 -24.3 83 83 A M H X S+ 0 0 6 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.978 106.6 48.3 -55.0 -49.7 44.5 51.0 -22.9 84 84 A K H X S+ 0 0 115 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.877 109.2 49.8 -56.1 -52.8 47.3 52.7 -24.9 85 85 A E H X S+ 0 0 43 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.963 115.6 43.3 -55.1 -52.8 46.6 56.3 -23.8 86 86 A L H <>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 -2,-0.2 0.903 113.1 50.0 -61.5 -46.7 46.5 55.4 -20.0 87 87 A E H ><5S+ 0 0 67 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.897 109.0 53.6 -60.4 -38.6 49.5 53.1 -20.1 88 88 A D H 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 102.0 59.3 -62.8 -35.8 51.5 55.8 -21.8 89 89 A R T 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.008 130.0 -93.6 -83.5 30.4 50.5 58.2 -19.1 90 90 A G T < 5S+ 0 0 68 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.441 88.4 126.9 74.6 1.2 52.2 56.0 -16.5 91 91 A I < - 0 0 17 -5,-2.1 2,-1.3 -6,-0.2 -1,-0.2 -0.806 54.0-144.0 -95.5 126.4 49.0 54.0 -15.5 92 92 A P >> + 0 0 46 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.640 27.2 169.2 -90.4 87.4 49.2 50.2 -15.7 93 93 A V H >> + 0 0 0 -2,-1.3 4,-1.1 1,-0.3 3,-1.0 0.905 67.7 63.9 -65.9 -42.1 45.7 49.3 -17.0 94 94 A R H 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.581 104.5 48.1 -60.8 -13.7 46.3 45.6 -17.7 95 95 A E H <4 S+ 0 0 154 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.690 119.0 36.5-100.9 -16.9 47.0 44.9 -14.0 96 96 A R H << S+ 0 0 28 -3,-1.0 -30,-2.2 -4,-0.8 2,-0.5 0.302 100.5 88.9-113.2 10.3 43.9 46.7 -12.7 97 97 A L E < -e 66 0A 2 -4,-1.1 2,-0.4 -32,-0.2 -30,-0.2 -0.913 48.7-179.6-117.1 130.8 41.3 45.9 -15.4 98 98 A L E -e 67 0A 43 -32,-3.2 -30,-3.0 -2,-0.5 2,-0.3 -0.958 3.6-168.5-128.4 145.4 39.1 42.9 -15.5 99 99 A L E -ef 68 201A 0 101,-2.3 103,-1.4 -2,-0.4 2,-0.3 -0.948 23.1-113.2-134.4 156.7 36.5 41.6 -18.0 100 100 A S E > - f 0 202A 8 -32,-1.8 3,-1.1 -2,-0.3 48,-0.2 -0.596 16.5-140.2 -79.6 143.2 33.7 39.1 -18.4 101 101 A E T 3 S+ 0 0 16 101,-0.6 48,-2.4 -2,-0.3 47,-0.8 0.704 101.1 65.8 -77.6 -17.4 34.1 36.3 -20.9 102 102 A A T 3 S+ 0 0 6 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.423 70.6 121.4 -83.7 -0.6 30.4 36.7 -21.8 103 103 A C < - 0 0 0 -3,-1.1 45,-1.3 -35,-0.1 2,-0.2 -0.526 63.4-128.5 -68.7 128.7 30.9 40.3 -23.2 104 104 A P B -L 147 0D 8 0, 0.0 -30,-3.6 0, 0.0 2,-0.3 -0.502 24.9-119.8 -73.6 147.2 29.8 40.4 -26.9 105 105 A L B -k 74 0C 3 41,-2.6 2,-0.6 -32,-0.2 41,-0.2 -0.635 11.8-151.4 -95.7 146.0 32.2 41.7 -29.5 106 106 A I + 0 0 5 -32,-3.0 -29,-0.3 -2,-0.3 2,-0.2 -0.969 26.6 168.4-113.3 117.4 32.0 44.7 -31.9 107 107 A L >> - 0 0 14 -2,-0.6 4,-1.5 25,-0.1 3,-1.0 -0.727 52.1 -86.8-121.4 172.1 34.0 44.3 -35.0 108 108 A D H 3> S+ 0 0 80 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.860 122.8 62.4 -47.7 -44.1 34.0 46.3 -38.3 109 109 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 105.6 48.8 -52.0 -37.2 31.1 44.3 -39.9 110 110 A H H <> S+ 0 0 3 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.938 110.2 49.8 -66.8 -46.0 29.0 45.6 -37.0 111 111 A V H >X S+ 0 0 41 -4,-1.5 4,-1.9 1,-0.2 3,-0.6 0.945 108.0 54.1 -57.3 -51.1 30.1 49.2 -37.5 112 112 A A H 3X S+ 0 0 9 -4,-3.0 4,-2.6 1,-0.3 3,-0.3 0.936 103.3 55.3 -50.4 -55.7 29.4 49.0 -41.2 113 113 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.864 107.5 51.8 -49.3 -36.3 25.8 47.8 -40.6 114 114 A D H S+ 0 0 57 -4,-1.9 4,-3.3 -3,-0.3 5,-0.5 0.921 118.2 42.1 -61.9 -49.5 26.5 53.3 -41.1 116 116 A A H X>S+ 0 0 13 -4,-2.6 4,-1.3 1,-0.2 5,-1.1 0.980 113.5 52.2 -61.9 -54.8 24.6 51.7 -43.9 117 117 A R H <5S+ 0 0 45 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.654 123.3 35.9 -55.2 -19.2 21.5 51.3 -41.7 118 118 A E H <5S+ 0 0 63 -4,-0.5 5,-0.2 -3,-0.2 -2,-0.2 0.841 120.6 34.7 -98.5 -70.6 22.1 55.0 -41.1 119 119 A K H ><5S+ 0 0 72 -4,-3.3 3,-0.6 3,-0.2 -3,-0.2 0.902 128.2 37.5 -54.0 -47.6 23.4 56.9 -44.2 120 120 A A T 3< S+ 0 0 0 -21,-0.2 4,-2.4 -22,-0.2 5,-0.3 0.328 90.0 118.7 90.4 -7.8 27.9 49.3 -34.0 133 133 A I H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.982 75.2 51.4 -53.3 -58.8 26.6 48.9 -30.5 134 134 A G H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 112.3 46.7 -46.1 -49.8 23.0 48.2 -31.8 135 135 A P H >> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.996 106.8 54.3 -60.7 -56.2 24.2 45.5 -34.2 136 136 A A H 3X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.3 -2,-0.2 0.792 111.0 50.7 -45.8 -31.7 26.6 43.6 -31.7 137 137 A Y H 3X S+ 0 0 26 -4,-1.8 4,-1.9 -5,-0.3 3,-0.5 0.901 106.6 51.0 -73.8 -47.7 23.5 43.4 -29.5 138 138 A E H S+ 0 0 3 -4,-2.2 5,-2.6 1,-0.2 6,-2.3 0.740 106.8 52.4 -66.5 -32.6 23.9 39.3 -32.9 140 140 A K H <5S+ 0 0 21 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.926 110.0 47.0 -69.0 -47.8 23.8 38.3 -29.3 141 141 A V H <5S+ 0 0 15 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.815 114.9 44.3 -65.4 -37.9 20.0 37.9 -29.3 142 142 A A H <5S- 0 0 21 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.688 113.2-125.1 -77.6 -18.6 19.9 35.8 -32.5 143 143 A R T <5S+ 0 0 69 -4,-0.6 -3,-0.2 -5,-0.2 -2,-0.1 0.827 81.4 108.9 74.4 42.1 22.9 33.9 -31.1 144 144 A R < + 0 0 53 -5,-2.6 -4,-0.2 -6,-0.1 20,-0.2 0.684 53.9 107.6-106.0 -35.6 25.4 34.3 -33.9 145 145 A G - 0 0 9 -6,-2.3 2,-0.4 -9,-0.1 -8,-0.0 0.318 65.5-123.2 -41.2 172.1 27.7 36.7 -32.1 146 146 A L - 0 0 3 -41,-0.2 -41,-2.6 -10,-0.1 2,-0.1 -0.980 21.9-162.0-125.7 136.2 31.1 36.2 -30.6 147 147 A R B > -L 104 0D 23 -2,-0.4 3,-0.6 -43,-0.3 4,-0.2 -0.390 38.0 -95.4-107.4-178.3 32.0 36.8 -27.0 148 148 A V G > S+ 0 0 0 -45,-1.3 3,-2.0 -47,-0.8 -46,-0.2 0.905 119.9 60.6 -68.3 -41.1 35.3 37.2 -25.3 149 149 A G G > S+ 0 0 9 -48,-2.4 3,-1.7 1,-0.3 4,-0.5 0.686 86.0 74.6 -61.0 -21.9 35.5 33.5 -24.3 150 150 A D G X S+ 0 0 29 -3,-0.6 3,-0.6 -49,-0.3 7,-0.5 0.740 85.4 70.0 -62.6 -21.4 35.5 32.5 -28.0 151 151 A L G < S+ 0 0 2 -3,-2.0 -1,-0.3 -4,-0.2 3,-0.3 0.312 79.9 71.8 -79.7 6.6 39.1 33.7 -28.0 152 152 A F G < S+ 0 0 99 -3,-1.7 2,-0.9 1,-0.3 -1,-0.2 0.814 100.5 47.3 -86.9 -32.4 40.3 30.9 -25.8 153 153 A D S <> S- 0 0 49 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.3 -0.803 75.0-174.8-109.2 85.4 39.9 28.5 -28.8 154 154 A K H > S+ 0 0 78 -2,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.889 78.5 53.2 -49.9 -44.4 41.5 30.5 -31.6 155 155 A E H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.964 108.7 45.6 -58.7 -59.6 40.6 28.0 -34.3 156 156 A T H > S+ 0 0 36 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.892 107.9 58.8 -52.7 -41.1 36.9 27.8 -33.6 157 157 A F H X S+ 0 0 0 -4,-2.2 4,-4.0 -7,-0.5 -1,-0.2 0.973 104.0 55.0 -51.0 -52.2 36.8 31.6 -33.3 158 158 A A H X S+ 0 0 23 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.836 114.1 35.1 -48.0 -54.8 38.1 31.6 -36.9 159 159 A E H X S+ 0 0 102 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.911 117.5 54.7 -67.4 -42.2 35.3 29.4 -38.4 160 160 A K H X S+ 0 0 66 -4,-3.3 4,-1.8 -5,-0.2 3,-0.3 0.923 111.1 46.8 -53.0 -49.8 32.7 30.9 -36.1 161 161 A L H X S+ 0 0 0 -4,-4.0 4,-2.7 -5,-0.3 5,-0.3 0.958 105.7 57.0 -58.0 -57.5 33.8 34.3 -37.5 162 162 A K H X S+ 0 0 102 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.781 107.7 50.3 -46.8 -35.8 33.7 33.2 -41.1 163 163 A E H X S+ 0 0 134 -4,-1.8 4,-1.6 -3,-0.3 3,-0.3 0.957 111.5 44.5 -69.4 -53.9 30.1 32.2 -40.7 164 164 A V H X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.942 112.1 54.4 -57.3 -45.9 28.8 35.5 -39.1 165 165 A M H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.826 104.1 53.9 -60.0 -34.4 30.8 37.5 -41.6 166 166 A E H X S+ 0 0 118 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.911 109.0 48.9 -66.2 -42.4 29.2 35.8 -44.7 167 167 A Y H X S+ 0 0 12 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.973 113.7 45.4 -61.6 -53.0 25.7 36.6 -43.4 168 168 A H H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.878 111.5 52.9 -60.8 -36.6 26.4 40.2 -42.8 169 169 A N H X>S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 5,-0.5 0.900 104.9 54.2 -66.2 -38.8 28.2 40.6 -46.1 170 170 A F H X5S+ 0 0 53 -4,-2.2 4,-1.0 1,-0.2 5,-0.5 0.910 111.3 47.7 -62.0 -35.8 25.2 39.2 -47.9 171 171 A Q H X>S+ 0 0 3 -4,-1.8 4,-2.4 3,-0.2 5,-1.3 0.985 113.8 47.1 -67.4 -50.4 23.2 41.9 -46.2 172 172 A L H X>S+ 0 0 1 -4,-3.0 5,-1.5 3,-0.2 6,-0.5 0.922 118.3 33.5 -52.8 -67.6 25.7 44.7 -47.0 173 173 A V H X5S+ 0 0 63 -4,-2.1 4,-0.5 4,-0.3 -1,-0.2 0.972 126.3 39.2 -59.2 -55.1 26.4 44.2 -50.7 174 174 A N H < - 0 0 103 -2,-0.6 4,-1.1 1,-0.2 3,-0.2 -0.448 18.6-153.8 -61.6 120.2 37.4 41.7 -45.7 183 183 A Y H > S+ 0 0 59 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.793 89.6 57.0 -63.4 -31.1 37.2 38.8 -43.4 184 184 A Q H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.870 99.1 56.3 -70.2 -43.8 41.0 38.5 -43.2 185 185 A K H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 112.7 44.5 -55.8 -38.7 41.7 42.1 -41.9 186 186 A V H X S+ 0 0 2 -4,-1.1 4,-3.2 2,-0.2 5,-0.4 0.878 110.3 51.2 -73.7 -46.1 39.3 41.3 -39.0 187 187 A L H X S+ 0 0 27 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.981 116.5 43.4 -56.5 -50.3 40.7 37.9 -38.2 188 188 A D H X S+ 0 0 81 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.945 113.0 51.0 -63.5 -44.8 44.1 39.4 -38.1 189 189 A D H < S+ 0 0 65 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.913 117.9 38.0 -60.1 -43.6 43.0 42.5 -36.2 190 190 A T H >X S+ 0 0 3 -4,-3.2 3,-1.5 1,-0.2 4,-1.1 0.927 114.5 53.8 -72.6 -47.2 41.3 40.4 -33.5 191 191 A M H 3< S+ 0 0 47 -4,-3.5 3,-0.5 -5,-0.4 4,-0.4 0.870 97.8 67.4 -53.4 -36.6 44.0 37.6 -33.4 192 192 A A T 3< S+ 0 0 77 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.776 115.9 24.0 -54.2 -32.5 46.6 40.4 -32.9 193 193 A V T X> S+ 0 0 18 -3,-1.5 4,-2.0 -4,-0.5 3,-1.0 0.394 86.1 107.3-119.0 4.0 45.1 41.0 -29.4 194 194 A A H 3X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.5 5,-0.3 0.914 79.7 54.3 -45.9 -58.3 43.3 37.9 -28.2 195 195 A D H 3> S+ 0 0 91 -4,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.744 109.0 48.7 -51.9 -32.2 45.9 36.9 -25.6 196 196 A I H X> S+ 0 0 41 -3,-1.0 3,-0.8 2,-0.2 4,-0.5 0.987 113.2 46.3 -72.6 -58.1 45.7 40.3 -23.9 197 197 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.3 -2,-0.2 0.815 112.3 51.8 -52.1 -39.4 41.9 40.3 -23.8 198 198 A T H >< S+ 0 0 23 -4,-3.0 3,-1.2 -5,-0.2 -1,-0.3 0.833 101.8 59.4 -73.5 -28.3 41.9 36.7 -22.4 199 199 A S H << S+ 0 0 72 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.526 102.7 52.0 -77.5 -1.8 44.3 37.4 -19.6 200 200 A M T << S+ 0 0 3 -3,-0.8 -101,-2.3 -4,-0.5 -1,-0.2 0.391 89.3 121.1-107.7 2.1 42.1 40.1 -18.0 201 201 A V E < +f 99 0A 31 -3,-1.2 2,-0.3 -103,-0.2 -101,-0.2 -0.195 33.5 156.7 -67.5 146.5 39.3 37.5 -18.1 202 202 A V E -f 100 0A 46 -103,-1.4 2,-1.4 -104,-0.0 -101,-0.6 -0.965 53.2 -94.6-165.5 159.7 37.4 36.4 -15.0 203 203 A D > - 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0 0 107 -2,-0.4 4,-1.4 1,-0.1 3,-0.3 -0.651 21.1-157.8 -77.2 115.0 2.4 39.4 -47.8 615 183 B Y H > S+ 0 0 45 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.885 87.5 57.2 -57.0 -52.6 2.2 42.8 -46.1 616 184 B Q H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 106.6 53.2 -52.5 -39.0 -1.4 43.8 -46.8 617 185 B K H > S+ 0 0 88 -3,-0.3 4,-3.6 1,-0.2 -1,-0.2 0.937 108.6 47.3 -61.6 -49.8 -2.4 40.6 -45.1 618 186 B V H X S+ 0 0 3 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.882 113.6 48.1 -61.1 -41.6 -0.5 41.3 -41.9 619 187 B L H X S+ 0 0 23 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.945 115.9 44.7 -63.9 -47.0 -1.8 44.9 -41.7 620 188 B D H X S+ 0 0 86 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.879 114.3 48.3 -65.3 -42.0 -5.3 43.6 -42.3 621 189 B D H >X S+ 0 0 79 -4,-3.6 4,-1.0 -5,-0.2 3,-0.8 0.980 116.1 44.3 -62.6 -48.2 -4.9 40.9 -39.8 622 190 B T H 3X S+ 0 0 9 -4,-2.9 4,-0.7 1,-0.3 3,-0.2 0.871 107.5 56.5 -63.7 -43.4 -3.5 43.3 -37.2 623 191 B M H 3< S+ 0 0 56 -4,-3.1 4,-0.5 1,-0.2 -1,-0.3 0.769 100.2 64.5 -61.1 -24.3 -6.0 46.1 -37.8 624 192 B A H << S+ 0 0 70 -4,-1.1 3,-0.3 -3,-0.8 4,-0.3 0.944 110.9 31.1 -65.2 -49.3 -8.8 43.5 -37.0 625 193 B V H X S+ 0 0 24 -4,-1.0 4,-2.4 -3,-0.2 -1,-0.2 0.429 94.4 100.0 -90.2 6.5 -7.7 42.9 -33.3 626 194 B A H X S+ 0 0 7 -4,-0.7 4,-2.0 2,-0.2 5,-0.3 0.919 79.1 50.1 -58.4 -48.8 -6.4 46.4 -32.8 627 195 B D H > S+ 0 0 111 -4,-0.5 4,-1.1 -3,-0.3 -1,-0.2 0.941 113.4 51.1 -55.5 -40.1 -9.5 47.8 -31.0 628 196 B I H 4 S+ 0 0 27 -4,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.906 109.4 45.5 -67.8 -44.0 -9.3 44.8 -28.7 629 197 B L H >X S+ 0 0 2 -4,-2.4 3,-2.5 1,-0.2 4,-0.8 0.970 110.1 51.7 -67.4 -51.5 -5.6 45.1 -27.8 630 198 B T H >< S+ 0 0 38 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.789 99.8 66.9 -57.4 -23.0 -5.5 48.8 -27.0 631 199 B S T 3< S+ 0 0 75 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.742 103.8 44.8 -69.9 -20.6 -8.5 48.3 -24.7 632 200 B M T <4 S+ 0 0 4 -3,-2.5 -101,-1.3 -4,-0.5 -1,-0.2 0.578 85.8 115.0 -98.5 -14.3 -6.3 46.3 -22.4 633 201 B V B << +w 531 0G 17 -4,-0.8 2,-0.3 -3,-0.5 -101,-0.2 -0.315 37.1 158.8 -61.4 143.9 -3.2 48.6 -22.3 634 202 B V - 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