==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-SEP-96 1JUY . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.W.POLAND,S.-F.LEE,M.V.SUBRAMANIAN,D.L.SIEHL,R.J.ANDERSON, . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.1 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 . 2 0.5 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 . 38 8.8 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 . 112 26.0 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 0 1 1 1 2 2 1 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 3 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 13 0, 0.0 430,-0.2 0, 0.0 259,-0.1 0.000 360.0 360.0 360.0 144.0 -6.3 24.1 45.2 2 2 A N + 0 0 58 1,-0.2 216,-1.5 215,-0.1 2,-0.8 0.852 360.0 56.0 -47.8 -50.8 -8.6 25.0 42.1 3 3 A N E S+a 218 0A 2 255,-0.2 257,-2.3 214,-0.2 258,-2.2 -0.808 71.5 178.9 -96.8 105.8 -10.3 27.9 43.9 4 4 A V E -ab 219 261A 0 214,-2.4 216,-2.2 -2,-0.8 2,-0.5 -0.877 13.7-153.7-111.5 132.9 -7.8 30.4 45.1 5 5 A V E -ab 220 262A 0 256,-4.2 258,-4.1 -2,-0.4 2,-0.5 -0.910 6.1-169.5-110.1 132.1 -8.8 33.6 46.9 6 6 A V E +ab 221 263A 0 214,-2.4 216,-2.8 -2,-0.5 2,-0.3 -0.947 23.7 154.9-120.6 107.1 -6.6 36.7 46.9 7 7 A L E - b 0 264A 1 256,-1.9 258,-3.2 -2,-0.5 2,-0.5 -0.897 46.1 -97.3-133.7 160.8 -7.7 39.5 49.4 8 8 A G E -ab 225 265A 1 216,-0.5 218,-2.8 -2,-0.3 258,-0.1 -0.662 25.4-168.9 -79.6 121.2 -6.3 42.4 51.3 9 9 A T S S+ 0 0 1 256,-2.4 218,-0.5 -2,-0.5 -1,-0.2 0.961 75.2 31.7 -73.7 -48.2 -5.5 41.6 54.9 10 10 A Q S S- 0 0 10 255,-0.6 217,-2.2 216,-0.2 218,-0.3 0.828 125.3 -45.6 -78.1-113.6 -4.9 45.2 56.2 11 11 A W S S- 0 0 6 1,-0.5 262,-0.3 260,-0.3 214,-0.2 -0.262 90.8 -86.3-121.5 47.0 -6.8 48.3 54.9 12 12 A G S S+ 0 0 2 212,-0.3 -1,-0.5 211,-0.1 259,-0.2 0.026 101.5 78.4 73.2 169.4 -6.5 47.8 51.2 13 13 A D + 0 0 39 211,-0.1 -1,-0.1 -3,-0.1 212,-0.1 0.662 52.9 130.1 65.4 22.6 -3.7 48.8 48.8 14 14 A E S S- 0 0 1 210,-0.2 254,-0.1 251,-0.1 252,-0.1 0.747 89.1 -88.6 -74.4 -27.6 -1.6 45.8 49.8 15 15 A G S > S+ 0 0 29 250,-0.1 4,-1.5 252,-0.1 5,-0.1 0.660 72.8 150.6 118.7 40.8 -1.1 44.9 46.2 16 16 A K H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 73.1 53.9 -63.9 -51.0 -4.0 42.6 45.3 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.948 107.8 49.4 -48.7 -58.1 -4.0 43.6 41.6 18 18 A K H > S+ 0 0 14 24,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.870 113.9 45.7 -52.3 -41.1 -0.4 42.8 41.1 19 19 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.830 111.1 52.1 -76.2 -28.7 -0.8 39.4 42.7 20 20 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 -3,-0.3 3,-0.2 0.981 110.6 48.1 -66.7 -52.9 -3.9 38.6 40.8 21 21 A D H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.770 113.9 47.6 -56.1 -32.4 -2.3 39.4 37.5 22 22 A L H < S+ 0 0 23 -4,-1.3 3,-0.5 -5,-0.3 -1,-0.2 0.835 116.2 41.4 -80.0 -35.4 0.8 37.3 38.4 23 23 A L H >< S+ 0 0 5 -4,-1.9 3,-1.4 -3,-0.2 4,-0.3 0.733 95.8 76.9 -86.2 -20.8 -1.1 34.2 39.6 24 24 A T G >< + 0 0 0 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.575 64.7 97.9 -65.6 -6.9 -3.8 34.2 36.8 25 25 A E G 3 S+ 0 0 129 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.847 95.4 33.7 -49.5 -35.6 -1.2 32.8 34.4 26 26 A R G < S+ 0 0 106 -3,-1.4 191,-0.3 192,-0.0 -1,-0.3 0.522 101.7 108.3 -97.0 -8.9 -2.8 29.4 35.3 27 27 A A < - 0 0 3 -3,-1.0 191,-0.2 -4,-0.3 3,-0.1 -0.431 45.6-171.7 -80.9 143.8 -6.3 30.7 35.7 28 28 A K S S+ 0 0 69 189,-2.0 37,-2.9 1,-0.3 2,-0.3 0.773 82.5 27.2 -93.4 -35.0 -9.3 30.2 33.4 29 29 A Y E -cd 65 218A 20 188,-1.6 190,-1.7 35,-0.2 2,-0.4 -0.961 56.6-169.3-132.7 148.7 -11.4 32.6 35.4 30 30 A V E -cd 66 219A 0 35,-2.2 37,-2.8 -2,-0.3 2,-0.4 -0.998 16.5-165.9-132.8 133.7 -10.9 35.7 37.6 31 31 A V E -cd 67 220A 0 188,-2.8 190,-3.2 -2,-0.4 2,-0.5 -0.985 17.6-157.7-132.0 125.4 -13.8 37.0 39.7 32 32 A R E +cd 68 221A 1 35,-2.0 37,-2.6 -2,-0.4 40,-0.3 -0.881 17.3 179.0 -93.3 126.9 -14.3 40.3 41.5 33 33 A Y + 0 0 1 188,-0.8 2,-0.3 -2,-0.5 -1,-0.1 0.460 56.3 14.2-112.5 -6.8 -17.0 39.6 44.1 34 34 A Q S S+ 0 0 6 187,-0.4 38,-0.2 2,-0.1 -1,-0.2 -0.982 90.1 46.3-161.3 167.2 -17.4 42.9 46.0 35 35 A G B -j 72 0B 0 36,-0.5 38,-2.7 -2,-0.3 2,-0.2 -0.548 57.6-135.7 93.7-161.7 -16.6 46.6 45.9 36 36 A G - 0 0 0 36,-0.2 3,-0.4 -2,-0.2 38,-0.1 -0.443 62.6 -34.1-159.8-124.0 -17.0 48.8 42.8 37 37 A H S S+ 0 0 23 1,-0.2 17,-0.2 -2,-0.2 -2,-0.0 0.018 111.2 90.2-106.2 24.7 -14.7 51.4 41.3 38 38 A N S S+ 0 0 14 15,-0.2 -1,-0.2 16,-0.0 263,-0.1 0.736 73.0 90.6 -82.2 -27.0 -13.4 52.5 44.7 39 39 A A - 0 0 3 -3,-0.4 2,-0.2 14,-0.2 184,-0.1 -0.298 56.8-174.4 -65.8 150.0 -10.8 49.8 44.0 40 40 A G - 0 0 9 13,-0.1 2,-0.6 14,-0.1 259,-0.3 -0.720 6.1-177.6-147.0 85.5 -7.6 50.8 42.2 41 41 A H E -K 52 0C 7 11,-3.1 11,-3.6 -2,-0.2 2,-0.6 -0.843 14.6-148.5 -96.8 120.7 -5.5 47.8 41.5 42 42 A T E -K 51 0C 49 -2,-0.6 -24,-0.4 9,-0.3 2,-0.3 -0.816 13.1-171.9 -94.3 119.9 -2.2 48.6 39.8 43 43 A L E -K 50 0C 0 7,-4.1 7,-2.6 -2,-0.6 2,-0.3 -0.774 0.5-170.6-105.4 152.0 -0.7 46.1 37.4 44 44 A V E +K 49 0C 18 373,-0.3 375,-2.9 -2,-0.3 2,-0.5 -0.840 7.0 177.9-151.5 106.3 2.8 46.6 35.9 45 45 A I E > S-K 48 0C 33 3,-1.9 3,-3.9 -2,-0.3 373,-0.1 -0.940 80.6 -22.2-109.4 125.8 4.2 44.4 33.1 46 46 A N T 3 S- 0 0 136 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.903 128.4 -52.5 35.9 59.2 7.7 45.4 32.0 47 47 A G T 3 S+ 0 0 60 -3,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.427 106.1 128.5 64.9 -4.1 7.1 48.8 33.4 48 48 A E E < -K 45 0C 111 -3,-3.9 -3,-1.9 2,-0.0 2,-0.3 -0.788 50.4-144.9 -88.7 126.3 3.9 49.5 31.6 49 49 A K E +K 44 0C 128 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.680 24.0 173.7 -95.8 143.2 1.4 50.5 34.2 50 50 A T E -K 43 0C 8 -7,-2.6 -7,-4.1 -2,-0.3 2,-0.7 -0.945 12.9-163.1-147.1 119.6 -2.4 49.9 34.4 51 51 A V E -K 42 0C 41 -2,-0.3 -9,-0.3 -9,-0.3 2,-0.3 -0.927 15.0-165.1-106.4 111.3 -4.6 50.8 37.4 52 52 A L E +K 41 0C 2 -11,-3.6 -11,-3.1 -2,-0.7 -35,-0.1 -0.654 15.9 171.1 -92.5 151.6 -7.9 48.8 37.2 53 53 A H S S+ 0 0 44 -2,-0.3 -14,-0.2 -13,-0.3 -1,-0.2 0.596 77.5 4.8-120.7 -70.9 -10.9 49.8 39.3 54 54 A L S S+ 0 0 0 -17,-0.2 -22,-0.1 24,-0.1 25,-0.1 0.840 112.4 81.6 -88.1 -40.4 -14.0 47.9 38.3 55 55 A I S S- 0 0 1 1,-0.1 13,-0.1 24,-0.1 -19,-0.0 -0.502 89.0-105.7 -74.1 130.5 -12.6 45.5 35.8 56 56 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 2,-1.1 -0.112 24.4-113.7 -55.3 150.6 -10.9 42.4 37.2 57 57 A S T 3 S+ 0 0 0 1,-0.3 -33,-0.2 2,-0.1 -26,-0.1 -0.033 106.6 72.1 -77.2 34.2 -7.1 42.0 37.2 58 58 A G T > + 0 0 0 -2,-1.1 3,-3.0 -28,-0.1 6,-0.3 0.464 66.9 98.8-118.2 -12.5 -7.2 39.1 34.7 59 59 A I T < S+ 0 0 0 -3,-1.8 -2,-0.1 1,-0.3 5,-0.1 0.799 70.8 64.5 -45.0 -40.6 -8.1 41.3 31.8 60 60 A L T 3 S+ 0 0 43 31,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.601 94.7 76.0 -66.4 -4.7 -4.5 41.6 30.5 61 61 A R X - 0 0 25 -3,-3.0 3,-0.6 1,-0.1 -3,-0.0 -0.913 62.6-162.4-111.7 130.5 -4.6 37.9 29.8 62 62 A E T 3 S+ 0 0 159 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.835 91.5 61.6 -75.2 -31.8 -6.5 36.4 26.8 63 63 A N T 3 S+ 0 0 72 -5,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.617 96.7 78.3 -69.0 -11.2 -6.6 32.9 28.4 64 64 A V S < S- 0 0 1 -3,-0.6 2,-0.6 -6,-0.3 -35,-0.2 -0.816 70.8-144.8-107.0 140.4 -8.6 34.3 31.3 65 65 A T E -c 29 0A 29 -37,-2.9 -35,-2.2 -2,-0.4 2,-0.5 -0.898 21.3-144.4 -98.5 120.6 -12.3 35.1 31.4 66 66 A S E -ce 30 97A 0 30,-3.2 32,-3.5 -2,-0.6 2,-0.4 -0.818 17.5-164.4 -93.3 126.3 -12.8 38.2 33.6 67 67 A I E -ce 31 98A 0 -37,-2.8 -35,-2.0 -2,-0.5 2,-0.8 -0.917 20.4-156.7-114.7 134.7 -16.0 38.1 35.7 68 68 A I E -ce 32 99A 0 30,-2.3 32,-1.0 -2,-0.4 35,-0.2 -0.924 32.8-147.6-108.1 100.8 -17.8 40.9 37.5 69 69 A G > - 0 0 0 -37,-2.6 3,-2.7 -2,-0.8 183,-0.2 -0.304 23.9-101.2 -71.8 155.1 -19.8 38.9 40.1 70 70 A N T 3 S+ 0 0 35 1,-0.3 182,-0.2 182,-0.3 181,-0.1 0.725 116.3 66.6 -43.6 -35.7 -23.2 39.8 41.6 71 71 A G T 3 S+ 0 0 5 180,-2.8 -36,-0.5 177,-0.1 -1,-0.3 0.607 83.9 93.6 -67.4 -10.8 -21.7 41.2 44.8 72 72 A V B < S-j 35 0B 0 -3,-2.7 2,-0.7 179,-0.4 -36,-0.2 -0.600 75.2-132.5 -86.3 140.4 -20.1 44.0 42.9 73 73 A V - 0 0 0 -38,-2.7 2,-0.6 -2,-0.3 32,-0.2 -0.861 29.7-146.2 -91.1 118.6 -21.8 47.4 42.6 74 74 A L B -l 105 0D 0 30,-3.3 32,-3.0 -2,-0.7 3,-0.1 -0.797 17.0-164.8-102.2 122.2 -21.6 48.3 38.9 75 75 A S > - 0 0 11 -2,-0.6 4,-2.4 30,-0.2 5,-0.2 -0.861 7.4-160.6 -97.4 104.1 -21.3 51.9 37.5 76 76 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.893 93.4 52.6 -53.3 -36.9 -22.1 51.7 33.8 77 77 A A H > S+ 0 0 72 29,-0.4 4,-2.3 1,-0.2 5,-0.1 0.944 108.9 48.0 -63.6 -47.7 -20.3 55.0 33.3 78 78 A A H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 111.1 52.4 -62.1 -38.5 -17.2 53.7 35.0 79 79 A L H X S+ 0 0 0 -4,-2.4 4,-3.8 2,-0.2 -2,-0.2 0.960 111.0 42.9 -62.3 -55.6 -17.2 50.5 32.9 80 80 A M H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.906 114.9 55.2 -56.4 -42.0 -17.5 52.2 29.5 81 81 A K H X S+ 0 0 120 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.889 115.6 34.3 -57.3 -50.3 -14.9 54.7 30.8 82 82 A E H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.873 115.2 59.8 -73.7 -39.7 -12.4 52.0 31.7 83 83 A M H X S+ 0 0 3 -4,-3.8 4,-2.4 -5,-0.2 10,-0.3 0.903 106.1 45.0 -54.0 -51.3 -13.4 49.7 28.8 84 84 A K H X S+ 0 0 110 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.921 111.5 52.0 -63.1 -46.4 -12.5 52.2 26.1 85 85 A E H X S+ 0 0 100 -4,-1.1 4,-0.8 -5,-0.3 -1,-0.2 0.930 113.2 45.4 -57.6 -43.3 -9.2 53.2 27.6 86 86 A L H ><>S+ 0 0 7 -4,-2.4 5,-2.4 1,-0.2 3,-0.5 0.894 111.2 54.1 -65.3 -40.6 -8.2 49.5 27.8 87 87 A E H ><5S+ 0 0 48 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.930 102.8 54.6 -60.0 -48.2 -9.5 48.9 24.3 88 88 A D H 3<5S+ 0 0 136 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 105.7 55.9 -58.9 -24.1 -7.3 51.7 22.8 89 89 A R T <<5S- 0 0 95 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.117 130.2 -96.4 -93.1 15.7 -4.3 49.9 24.4 90 90 A G T < 5S+ 0 0 62 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.686 82.1 135.0 79.5 16.2 -5.2 46.7 22.6 91 91 A I < - 0 0 19 -5,-2.4 2,-2.5 -7,-0.1 3,-0.2 -0.885 46.9-152.3-100.5 107.5 -7.2 45.1 25.4 92 92 A P >> + 0 0 46 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.345 25.5 171.3 -75.9 63.8 -10.3 43.6 23.9 93 93 A V H >> S+ 0 0 0 -2,-2.5 4,-2.0 -10,-0.3 3,-1.4 0.829 72.2 54.1 -38.2 -53.9 -12.2 44.0 27.2 94 94 A R H 34 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -11,-0.0 0.733 105.6 53.2 -56.6 -29.4 -15.6 43.0 25.7 95 95 A E H <4 S+ 0 0 152 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.670 121.1 31.2 -83.1 -16.6 -14.2 39.8 24.3 96 96 A R H << S+ 0 0 41 -3,-1.4 -30,-3.2 -4,-1.0 2,-0.4 0.532 101.2 87.4-119.0 -5.0 -12.8 38.8 27.7 97 97 A L E < -e 66 0A 2 -4,-2.0 2,-0.3 -5,-0.2 -30,-0.2 -0.851 46.8-174.9-108.7 132.1 -15.3 40.3 30.3 98 98 A L E -e 67 0A 43 -32,-3.5 -30,-2.3 -2,-0.4 2,-0.3 -0.845 8.0-158.5-116.6 154.1 -18.5 38.8 31.7 99 99 A L E -ef 68 201A 0 101,-2.7 103,-2.4 -2,-0.3 2,-0.4 -0.860 16.7-117.9-131.1 165.2 -21.1 40.3 34.1 100 100 A S E > - f 0 202A 9 -32,-1.0 3,-0.6 -2,-0.3 48,-0.3 -0.849 8.4-148.2-103.6 134.4 -23.9 39.4 36.6 101 101 A E T 3 S+ 0 0 81 101,-0.5 48,-2.4 -2,-0.4 49,-0.3 0.722 101.8 63.0 -70.7 -17.8 -27.5 40.5 36.0 102 102 A A T 3 S+ 0 0 19 46,-0.2 -1,-0.2 45,-0.1 -33,-0.1 0.794 74.7 114.7 -77.0 -24.9 -27.7 40.6 39.8 103 103 A C S < S- 0 0 0 -3,-0.6 45,-2.8 -35,-0.2 46,-0.2 -0.174 70.4-127.2 -48.0 124.6 -25.1 43.3 40.0 104 104 A P B -M 147 0E 6 0, 0.0 -30,-3.3 0, 0.0 2,-0.4 -0.519 24.5-119.8 -73.5 149.5 -26.7 46.4 41.4 105 105 A L B -l 74 0D 2 41,-3.6 2,-0.6 -32,-0.2 41,-0.4 -0.788 14.0-148.4 -97.9 132.0 -26.2 49.6 39.2 106 106 A I - 0 0 4 -32,-3.0 -29,-0.4 -2,-0.4 2,-0.3 -0.872 25.2-177.4 -96.1 124.4 -24.5 52.7 40.5 107 107 A L >> - 0 0 8 -2,-0.6 3,-3.6 25,-0.1 4,-0.5 -0.920 43.1 -90.7-126.9 149.5 -25.9 55.8 38.8 108 108 A D H >> S+ 0 0 100 -2,-0.3 3,-1.6 1,-0.3 4,-1.4 0.661 120.8 60.3 -20.3 -48.9 -25.1 59.4 39.1 109 109 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.808 94.6 65.4 -60.9 -27.8 -27.6 60.1 41.9 110 110 A H H <> S+ 0 0 2 -3,-3.6 4,-2.0 1,-0.2 -1,-0.3 0.759 102.8 47.3 -63.4 -28.0 -25.7 57.6 44.1 111 111 A V H X S+ 0 0 27 -4,-1.8 3,-0.7 -5,-0.3 4,-0.6 0.944 111.2 44.3 -66.7 -45.5 -20.1 63.0 53.6 119 119 A K H >< S+ 0 0 109 -4,-2.3 3,-3.1 1,-0.2 -2,-0.2 0.960 106.6 61.0 -62.4 -46.5 -20.4 66.7 53.9 120 120 A A H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 101.2 55.8 -50.4 -27.8 -23.3 66.3 56.4 121 121 A R H X< S+ 0 0 108 -4,-1.0 3,-2.8 -3,-0.7 -1,-0.3 0.661 85.1 176.8 -78.1 -18.0 -20.7 64.4 58.6 122 122 A G G X< S+ 0 0 44 -3,-3.1 3,-1.9 -4,-0.6 -1,-0.2 -0.206 71.3 7.2 50.7-130.7 -18.4 67.4 58.5 123 123 A A G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.723 132.6 58.9 -52.7 -23.3 -15.4 66.7 60.7 124 124 A K G < S+ 0 0 148 -3,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.038 73.8 145.1 -98.3 26.3 -16.6 63.1 61.0 125 125 A A < - 0 0 30 -3,-1.9 150,-0.2 1,-0.1 -7,-0.1 -0.423 51.5-134.4 -65.3 136.0 -16.6 62.2 57.3 126 126 A I - 0 0 25 -2,-0.1 149,-2.7 148,-0.1 -1,-0.1 0.903 36.4-117.5 -57.3 -42.7 -15.7 58.6 56.5 127 127 A G - 0 0 22 147,-0.2 -1,-0.1 1,-0.0 -2,-0.0 0.735 44.2-172.1 101.4 39.0 -13.3 59.6 53.7 128 128 A T - 0 0 43 -14,-0.1 146,-0.1 1,-0.1 111,-0.0 -0.244 35.1-119.6 -62.9 152.1 -15.3 57.8 51.0 129 129 A T - 0 0 30 1,-0.1 -1,-0.1 145,-0.0 145,-0.0 0.583 44.0-124.2 -67.9 -11.2 -13.8 57.6 47.5 130 130 A G S S+ 0 0 20 -16,-0.1 -15,-0.2 1,-0.1 -16,-0.1 0.381 78.3 119.4 82.4 0.2 -16.9 59.5 46.3 131 131 A R S S- 0 0 68 -17,-0.1 -20,-0.1 1,-0.1 -21,-0.1 0.517 84.4-111.5 -75.6 -7.8 -18.0 56.9 43.8 132 132 A G > + 0 0 0 -21,-0.2 4,-2.0 -22,-0.1 5,-0.2 0.668 67.8 144.4 85.5 18.5 -21.4 56.2 45.4 133 133 A I H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 70.3 49.6 -54.0 -52.6 -20.6 52.7 46.6 134 134 A G H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.953 109.3 47.2 -53.3 -62.5 -22.6 53.1 49.8 135 135 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.843 112.8 52.6 -50.5 -37.6 -25.8 54.5 48.4 136 136 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.953 111.7 44.7 -64.4 -48.0 -25.7 51.7 45.8 137 137 A Y H X S+ 0 0 24 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.867 112.6 54.0 -61.9 -36.4 -25.3 49.1 48.6 138 138 A E H X S+ 0 0 72 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.967 109.5 44.9 -59.8 -58.3 -28.1 50.9 50.5 139 139 A D H X>S+ 0 0 1 -4,-2.8 5,-1.9 2,-0.2 6,-1.8 0.835 111.5 56.7 -57.0 -34.8 -30.6 50.7 47.7 140 140 A K H ><5S+ 0 0 89 -4,-2.0 3,-2.0 -5,-0.2 5,-0.3 0.995 112.3 37.2 -57.9 -69.3 -29.6 47.2 47.1 141 141 A V H 3<5S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.837 114.0 59.9 -53.0 -37.0 -30.3 46.0 50.6 142 142 A A H 3<5S- 0 0 33 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.812 106.6-130.4 -61.7 -31.2 -33.3 48.3 50.6 143 143 A R T <<5S+ 0 0 227 -3,-2.0 -3,-0.2 -4,-1.7 -2,-0.1 0.738 86.8 94.5 83.9 24.2 -34.8 46.5 47.6 144 144 A R < + 0 0 88 -5,-1.9 -4,-0.2 -6,-0.1 -5,-0.1 0.369 58.8 109.3-118.2 -8.8 -35.4 49.6 45.5 145 145 A G - 0 0 21 -6,-1.8 2,-0.4 -5,-0.3 -39,-0.1 -0.264 67.5-122.8 -70.6 159.2 -32.1 49.5 43.6 146 146 A L - 0 0 6 -41,-0.4 -41,-3.6 15,-0.0 2,-0.3 -0.797 25.5-162.0-101.8 142.5 -31.8 48.7 40.0 147 147 A R B > -M 104 0E 121 -2,-0.4 3,-1.9 -43,-0.3 4,-0.5 -0.809 38.1 -94.8-120.4 164.9 -29.6 45.8 38.8 148 148 A V G > S+ 0 0 0 -45,-2.8 3,-2.3 -48,-0.3 4,-0.3 0.889 121.6 61.4 -43.4 -47.1 -28.1 44.9 35.5 149 149 A G G > S+ 0 0 16 -48,-2.4 3,-2.6 1,-0.3 4,-0.3 0.786 86.4 72.1 -54.6 -31.1 -31.0 42.6 34.7 150 150 A D G X S+ 0 0 33 -3,-1.9 3,-1.0 -49,-0.3 -1,-0.3 0.728 86.9 68.3 -59.4 -18.5 -33.5 45.6 34.9 151 151 A L G < S+ 0 0 3 -3,-2.3 -1,-0.3 -4,-0.5 3,-0.3 0.720 75.0 82.7 -73.7 -18.0 -32.0 46.6 31.6 152 152 A F G < S+ 0 0 115 -3,-2.6 2,-0.4 -4,-0.3 -1,-0.2 0.777 101.0 37.9 -57.8 -24.6 -33.5 43.6 29.9 153 153 A D S <> S- 0 0 75 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.3 -0.883 71.1-173.3-129.3 99.2 -36.8 45.6 29.6 154 154 A K H > S+ 0 0 85 -2,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.828 81.9 56.3 -62.8 -33.8 -36.0 49.3 28.9 155 155 A E H > S+ 0 0 167 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.991 112.5 38.8 -65.7 -54.9 -39.6 50.4 29.3 156 156 A T H > S+ 0 0 43 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.856 112.9 59.4 -64.1 -30.3 -40.1 49.1 32.8 157 157 A F H X S+ 0 0 0 -4,-2.1 4,-3.6 -7,-0.3 5,-0.3 0.970 104.3 49.1 -59.2 -53.2 -36.5 50.2 33.7 158 158 A A H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 113.5 47.6 -53.1 -41.9 -37.4 53.8 32.8 159 159 A E H X S+ 0 0 123 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.988 114.2 45.8 -61.1 -59.4 -40.5 53.5 35.0 160 160 A K H X S+ 0 0 72 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.910 113.7 49.1 -47.9 -53.7 -38.5 51.9 37.9 161 161 A L H X S+ 0 0 0 -4,-3.6 4,-3.2 1,-0.2 5,-0.3 0.870 106.0 58.4 -55.9 -42.3 -35.7 54.5 37.6 162 162 A K H X S+ 0 0 86 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.957 108.8 43.0 -53.9 -56.0 -38.2 57.3 37.6 163 163 A E H X S+ 0 0 128 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.949 115.4 51.0 -52.4 -57.0 -39.7 56.3 41.0 164 164 A V H X S+ 0 0 12 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.933 112.7 43.5 -45.9 -61.2 -36.2 55.7 42.4 165 165 A M H X S+ 0 0 2 -4,-3.2 4,-3.1 2,-0.2 -1,-0.2 0.854 110.7 56.4 -59.5 -37.2 -34.8 59.1 41.3 166 166 A E H X S+ 0 0 119 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.996 111.2 43.4 -55.4 -61.9 -38.0 60.8 42.5 167 167 A Y H X S+ 0 0 125 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.900 116.1 47.6 -47.6 -53.9 -37.5 59.4 46.0 168 168 A H H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.917 110.8 51.3 -58.3 -45.5 -33.8 60.1 46.0 169 169 A N H X S+ 0 0 27 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.808 98.7 64.7 -62.5 -33.5 -34.2 63.7 44.7 170 170 A F H X S+ 0 0 146 -4,-2.1 4,-3.2 -3,-0.3 5,-0.5 0.969 109.9 39.6 -53.8 -52.0 -36.8 64.6 47.4 171 171 A Q H <>S+ 0 0 40 -4,-1.3 5,-3.0 1,-0.2 6,-0.4 0.860 114.8 50.3 -67.0 -41.5 -34.1 64.1 50.0 172 172 A L H <5S+ 0 0 1 -4,-1.9 6,-5.0 3,-0.2 -1,-0.2 0.900 120.4 38.2 -63.4 -40.1 -31.2 65.7 48.0 173 173 A V H <5S+ 0 0 62 -4,-3.2 -2,-0.2 4,-0.3 -3,-0.2 0.979 130.4 22.9 -73.9 -59.8 -33.5 68.7 47.3 174 174 A N T <5S+ 0 0 78 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.980 129.9 31.9 -76.2 -61.9 -35.3 69.1 50.6 175 175 A Y T 5S+ 0 0 161 -5,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.953 135.2 26.5 -66.7 -50.0 -33.3 67.5 53.4 176 176 A Y S - 0 0 95 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.685 14.6-153.5 -85.1 120.8 -31.9 64.9 36.3 183 183 A Y H > S+ 0 0 35 -2,-0.6 4,-3.1 1,-0.2 3,-0.4 0.938 93.9 51.0 -53.6 -55.7 -33.9 61.8 35.5 184 184 A Q H > S+ 0 0 91 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.863 109.4 51.5 -52.5 -43.8 -33.8 62.3 31.7 185 185 A K H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.877 112.0 45.4 -64.7 -37.9 -30.0 62.7 31.7 186 186 A V H X S+ 0 0 6 -4,-1.9 4,-2.4 -3,-0.4 5,-0.2 0.948 112.4 51.6 -70.1 -47.0 -29.5 59.5 33.7 187 187 A L H X S+ 0 0 22 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.929 114.3 43.5 -52.9 -49.0 -31.9 57.5 31.6 188 188 A D H X S+ 0 0 78 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.968 111.8 49.9 -64.6 -56.0 -30.2 58.6 28.4 189 189 A D H < S+ 0 0 84 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.886 116.6 45.2 -50.6 -40.3 -26.6 58.1 29.5 190 190 A T H >X S+ 0 0 8 -4,-2.4 3,-2.8 -5,-0.2 4,-1.1 0.972 108.8 50.5 -70.6 -56.3 -27.5 54.6 30.7 191 191 A M H 3< S+ 0 0 40 -4,-2.6 4,-0.5 1,-0.3 3,-0.2 0.794 98.7 71.1 -54.7 -26.4 -29.6 53.4 27.8 192 192 A A T 3< S+ 0 0 75 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.755 112.9 26.9 -62.8 -20.7 -26.6 54.4 25.6 193 193 A V T <> S+ 0 0 27 -3,-2.8 4,-3.0 -4,-0.3 -1,-0.2 0.464 90.0 102.3-121.6 -0.2 -24.6 51.5 27.0 194 194 A A H X S+ 0 0 2 -4,-1.1 4,-3.8 1,-0.2 5,-0.3 0.847 83.3 49.5 -52.1 -45.9 -27.3 49.0 28.1 195 195 A D H > S+ 0 0 97 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.948 112.3 47.0 -62.7 -46.9 -26.8 46.7 25.1 196 196 A I H > S+ 0 0 45 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.980 117.1 46.9 -55.5 -54.9 -23.0 46.6 25.6 197 197 A L H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 4,-0.4 0.948 114.9 42.6 -46.7 -69.2 -23.7 46.0 29.3 198 198 A T H >< S+ 0 0 36 -4,-3.8 3,-0.8 1,-0.3 -1,-0.3 0.698 102.7 70.7 -55.8 -23.1 -26.3 43.2 28.8 199 199 A S H 3< S+ 0 0 78 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.871 99.5 47.4 -66.2 -31.7 -24.2 41.7 26.1 200 200 A M T << S+ 0 0 4 -3,-1.8 -101,-2.7 -4,-1.0 -1,-0.2 0.510 83.4 123.6 -87.5 -3.1 -21.7 40.6 28.7 201 201 A V E < +f 99 0A 35 -3,-0.8 2,-0.3 -4,-0.4 -101,-0.2 -0.284 30.5 165.2 -59.2 144.1 -24.2 39.1 31.1 202 202 A V E -f 100 0A 39 -103,-2.4 2,-1.4 -104,-0.0 -101,-0.5 -0.924 50.7-101.1-149.7 158.3 -23.7 35.4 32.1 203 203 A D > - 0 0 91 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.757 43.1-171.7 -86.9 89.6 -25.2 33.3 34.9 204 204 A V H > S+ 0 0 3 -2,-1.4 4,-2.7 2,-0.2 5,-0.2 0.837 75.4 52.6 -53.5 -43.8 -22.1 33.6 37.1 205 205 A S H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.973 113.5 42.1 -59.2 -56.8 -23.1 31.1 39.8 206 206 A D H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.858 112.4 56.2 -59.6 -37.8 -23.9 28.3 37.4 207 207 A L H X S+ 0 0 15 -4,-2.3 4,-3.6 1,-0.2 5,-0.3 0.986 110.6 43.3 -55.5 -59.6 -20.8 29.2 35.5 208 208 A L H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.783 110.7 56.7 -58.1 -32.0 -18.7 28.7 38.7 209 209 A D H X S+ 0 0 59 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.978 114.9 36.6 -65.5 -51.7 -20.6 25.5 39.5 210 210 A Q H X S+ 0 0 86 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.913 116.2 52.0 -68.4 -40.0 -19.6 24.0 36.2 211 211 A A H <>S+ 0 0 0 -4,-3.6 5,-2.4 -5,-0.3 4,-0.4 0.860 112.3 50.6 -60.7 -32.5 -16.2 25.5 36.1 212 212 A R H ><5S+ 0 0 66 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.959 108.3 47.3 -68.3 -57.6 -15.8 24.0 39.6 213 213 A Q H 3<5S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 109.6 57.7 -57.5 -27.3 -16.9 20.5 38.7 214 214 A R T 3<5S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.628 113.3-119.5 -76.5 -18.9 -14.5 20.7 35.7 215 215 A G T < 5 + 0 0 31 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.638 53.5 165.3 87.7 15.1 -11.6 21.4 38.0 216 216 A D < - 0 0 38 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.2 -0.334 43.8-109.0 -68.0 147.6 -10.8 24.8 36.4 217 217 A F - 0 0 48 -191,-0.3 -189,-2.0 -214,-0.1 -188,-1.6 -0.631 40.5-174.2 -77.1 106.7 -8.5 27.2 38.2 218 218 A V E -ad 3 29A 2 -216,-1.5 -214,-2.4 -2,-0.8 2,-0.4 -0.821 9.0-164.1-105.9 144.5 -10.6 30.1 39.5 219 219 A M E -ad 4 30A 0 -190,-1.7 -188,-2.8 -2,-0.4 2,-0.5 -0.999 4.9-157.2-126.2 126.6 -9.1 33.2 41.1 220 220 A F E -ad 5 31A 0 -216,-2.2 -214,-2.4 -2,-0.4 2,-0.5 -0.928 11.3-153.0-105.8 130.2 -11.3 35.5 43.2 221 221 A E E -ad 6 32A 1 -190,-3.2 -188,-0.8 -2,-0.5 -187,-0.4 -0.925 9.2-146.3-108.2 121.1 -9.9 39.0 43.4 222 222 A G E - 0 0 1 -216,-2.8 2,-0.3 -2,-0.5 21,-0.1 -0.338 1.7-144.7 -83.9 166.5 -10.8 41.1 46.5 223 223 A A E - 0 0 2 -2,-0.1 -215,-0.2 -215,-0.1 -211,-0.1 -0.916 63.3 -7.4-125.1 153.0 -11.3 44.8 46.8 224 224 A Q E S- 0 0 19 -2,-0.3 -216,-0.5 -213,-0.1 2,-0.3 -0.157 93.2 -73.2 56.3-155.2 -10.4 47.0 49.8 225 225 A G E > -a 8 0A 1 -214,-0.2 3,-2.7 -213,-0.1 4,-0.2 -0.953 32.2 -98.8-139.8 162.0 -9.2 45.3 52.9 226 226 A T G > S+ 0 0 0 -218,-2.8 3,-1.7 -2,-0.3 -216,-0.2 0.795 118.7 52.4 -40.6 -49.6 -10.2 43.1 55.9 227 227 A L G 3 S+ 0 0 5 -217,-2.2 7,-2.0 -218,-0.5 -1,-0.3 0.483 103.2 60.8 -76.1 4.4 -10.4 46.0 58.4 228 228 A L G < S+ 0 0 21 -3,-2.7 11,-2.6 -218,-0.3 13,-0.3 0.361 76.1 133.5-105.2 0.5 -12.7 47.9 56.0 229 229 A D <> - 0 0 0 -3,-1.7 4,-2.1 -4,-0.2 13,-0.2 -0.232 63.2-131.8 -55.6 132.1 -15.2 45.0 56.2 230 230 A I T 4 S+ 0 0 48 11,-2.1 -1,-0.1 2,-0.2 12,-0.1 0.869 104.5 26.6 -54.4 -35.9 -18.7 46.4 56.7 231 231 A D T 4 S+ 0 0 106 10,-0.1 4,-0.2 1,-0.1 -1,-0.2 0.914 132.5 30.5 -92.7 -52.4 -19.3 43.9 59.5 232 232 A H T 4 S+ 0 0 79 -6,-0.1 -2,-0.2 2,-0.1 -3,-0.1 0.522 103.2 89.1 -90.7 -6.1 -15.9 43.1 61.0 233 233 A G S < S- 0 0 2 -4,-2.1 2,-3.0 6,-0.1 -5,-0.2 -0.043 98.7 -69.2 -85.8-170.7 -14.1 46.4 60.3 234 234 A T S > S- 0 0 0 -7,-2.0 3,-1.9 3,-0.3 127,-0.2 -0.352 75.8-130.3 -77.3 63.5 -13.6 49.7 62.2 235 235 A Y T 3 S+ 0 0 134 -2,-3.0 127,-3.6 1,-0.3 128,-0.4 -0.332 81.6 19.8 -57.3 140.5 -17.3 50.6 61.7 236 236 A P T 3 S+ 0 0 41 0, 0.0 2,-2.4 0, 0.0 -1,-0.3 -0.980 117.3 65.4 -91.4 8.0 -18.4 53.1 60.7 237 237 A Y S < S+ 0 0 40 -3,-1.9 -3,-0.3 37,-0.1 2,-0.2 -0.481 91.0 103.3 -85.9 67.4 -15.0 54.1 59.0 238 238 A V S S- 0 0 14 -2,-2.4 2,-0.3 -5,-0.1 -9,-0.2 -0.773 78.7 -98.6-135.2 179.8 -15.5 51.1 56.7 239 239 A T - 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