==== 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 07-MAY-96 1SOO . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.W.COWAN-JACOB . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17836.0 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 . 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 26.2 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 2 0 0 1 1 2 1 2 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 2 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 18 0, 0.0 3,-0.1 0, 0.0 430,-0.1 0.000 360.0 360.0 360.0-145.4 28.8 56.4 50.4 2 2 A N + 0 0 54 1,-0.2 216,-2.5 215,-0.1 2,-0.8 0.852 360.0 54.9 -81.8 -42.5 28.3 58.8 47.5 3 3 A N E +a 218 0A 5 214,-0.2 257,-1.9 255,-0.2 258,-1.5 -0.853 68.0 174.4-102.0 103.6 24.9 60.0 48.6 4 4 A V E -ab 219 261A 0 214,-2.6 216,-2.6 -2,-0.8 2,-0.3 -0.915 15.4-154.2-112.4 126.9 24.8 61.4 52.1 5 5 A V E -ab 220 262A 0 256,-2.5 258,-2.9 -2,-0.5 2,-0.5 -0.741 3.6-164.5 -97.6 143.8 21.7 63.0 53.7 6 6 A V E +ab 221 263A 0 214,-2.3 216,-3.0 -2,-0.3 2,-0.3 -0.888 24.1 153.5-129.8 101.8 22.0 65.5 56.5 7 7 A L E - b 0 264A 2 256,-1.7 258,-2.7 -2,-0.5 2,-0.3 -0.862 45.5-101.4-126.9 161.7 18.7 66.2 58.3 8 8 A G E - b 0 265A 0 216,-0.5 218,-2.3 -2,-0.3 258,-0.2 -0.669 19.3-155.6 -84.2 137.2 17.7 67.3 61.8 9 9 A T S S+ 0 0 1 256,-2.7 257,-0.1 -2,-0.3 -1,-0.1 0.647 77.6 30.3 -85.6 -15.9 16.5 64.6 64.2 10 10 A Q S S- 0 0 9 255,-0.3 217,-2.7 214,-0.1 218,-0.3 0.492 119.5 -45.2-109.1-115.9 14.5 66.9 66.4 11 11 A W S S- 0 0 4 1,-0.5 262,-0.4 260,-0.3 214,-0.2 -0.253 92.6 -81.0-118.0 43.8 12.6 70.2 65.9 12 12 A G S S+ 0 0 4 212,-0.3 -1,-0.5 211,-0.1 259,-0.2 -0.163 103.2 75.6 83.9 171.6 15.1 72.1 63.8 13 13 A D + 0 0 46 1,-0.1 212,-0.1 -3,-0.1 -1,-0.0 0.726 52.6 135.3 56.9 30.5 18.2 74.1 64.8 14 14 A E S S- 0 0 0 210,-0.2 252,-0.1 251,-0.1 254,-0.1 0.706 83.8 -90.2 -79.0 -22.9 20.2 71.0 65.5 15 15 A G S > S+ 0 0 28 250,-0.1 4,-1.4 252,-0.1 251,-0.1 0.636 74.1 148.1 115.8 34.3 23.3 72.4 63.7 16 16 A K H > + 0 0 6 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.956 66.5 56.6 -64.0 -54.2 22.7 71.2 60.2 17 17 A G H >> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 3,-1.2 0.938 106.2 48.8 -44.0 -64.9 24.4 74.0 58.4 18 18 A K H 3> S+ 0 0 20 24,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.837 111.3 50.7 -42.8 -48.3 27.7 73.7 60.1 19 19 A I H 3X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.3 0.826 110.6 48.2 -64.6 -33.3 27.9 70.0 59.5 20 20 A V H < S+ 0 0 21 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.2 0.964 115.8 36.6 -63.7 -59.6 32.2 70.8 57.1 23 23 A L H >< S+ 0 0 5 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.643 96.2 81.0 -71.8 -19.8 31.6 67.6 55.1 24 24 A T G >< + 0 0 0 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.672 64.9 93.5 -64.7 -10.5 31.1 69.2 51.7 25 25 A E G < S+ 0 0 140 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.890 97.2 34.1 -47.3 -33.8 34.9 69.4 51.5 26 26 A R G < S+ 0 0 97 -3,-1.8 -1,-0.3 38,-0.0 191,-0.2 0.571 101.7 96.2-100.4 -9.4 34.5 66.1 49.7 27 27 A A < - 0 0 6 -3,-0.9 191,-0.2 -4,-0.3 3,-0.1 -0.368 52.8-159.9 -82.4 157.1 31.2 66.6 47.8 28 28 A K S S+ 0 0 78 189,-3.2 37,-2.7 1,-0.3 2,-0.3 0.731 84.2 27.2-100.5 -32.7 30.7 67.7 44.3 29 29 A Y E -cd 65 218A 18 188,-1.7 190,-2.5 35,-0.2 2,-0.4 -0.951 57.1-165.3-133.9 150.4 27.2 68.8 45.0 30 30 A V E -cd 66 219A 0 35,-1.6 37,-2.7 -2,-0.3 2,-0.4 -0.990 21.0-160.5-128.0 133.9 25.1 70.0 47.9 31 31 A V E -cd 67 220A 0 188,-2.7 190,-2.5 -2,-0.4 2,-0.5 -0.962 15.8-153.3-128.6 126.2 21.3 69.9 47.5 32 32 A R E +cd 68 221A 0 35,-2.5 37,-2.5 -2,-0.4 40,-0.4 -0.809 19.5 175.7 -89.4 131.5 18.4 71.6 49.3 33 33 A Y + 0 0 1 188,-0.9 2,-0.3 -2,-0.5 -1,-0.1 0.460 51.7 10.8-121.2 2.2 15.3 69.5 49.0 34 34 A Q S S+ 0 0 5 187,-0.3 38,-0.3 37,-0.1 -1,-0.2 -0.979 91.3 33.3-169.1 163.1 12.5 71.1 51.0 35 35 A G B -j 72 0B 0 36,-0.6 38,-2.6 -2,-0.3 2,-0.2 -0.450 63.1-124.1 84.4-161.2 11.4 74.1 52.9 36 36 A G > - 0 0 0 36,-0.2 3,-0.9 -2,-0.1 38,-0.1 -0.520 58.0 -37.7-151.4-135.2 12.4 77.7 52.0 37 37 A H T 3 S+ 0 0 23 1,-0.2 17,-0.1 -2,-0.2 37,-0.1 0.223 110.2 91.4 -90.6 13.1 14.0 80.7 53.6 38 38 A N T 3 S+ 0 0 19 15,-0.1 -1,-0.2 93,-0.1 2,-0.2 0.673 74.8 86.0 -75.4 -18.9 12.2 79.8 56.8 39 39 A A < - 0 0 4 -3,-0.9 2,-0.4 14,-0.1 184,-0.0 -0.577 64.0-167.1 -81.9 147.8 15.4 77.9 57.4 40 40 A G - 0 0 33 -2,-0.2 2,-0.6 13,-0.1 13,-0.2 -0.924 6.2-179.2-139.6 108.0 18.4 79.7 59.0 41 41 A H E -K 52 0C 10 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.921 10.7-159.2-115.0 109.4 21.8 78.0 58.9 42 42 A T E -K 51 0C 66 -2,-0.6 -24,-0.4 9,-0.3 2,-0.4 -0.700 7.1-166.3 -88.5 135.5 24.6 80.0 60.6 43 43 A L E -K 50 0C 2 7,-5.1 7,-3.0 -2,-0.4 2,-0.4 -0.911 9.6-169.4-120.4 147.6 28.2 79.2 59.6 44 44 A V E +K 49 0C 33 373,-0.4 375,-1.7 -2,-0.4 2,-0.7 -0.912 7.8 179.9-138.1 101.7 31.4 80.2 61.4 45 45 A I E > S-K 48 0C 25 3,-3.2 3,-1.8 -2,-0.4 373,-0.1 -0.909 74.5 -30.1-110.7 107.4 34.5 79.5 59.5 46 46 A N T 3 S- 0 0 114 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.894 129.9 -42.1 56.3 42.5 37.7 80.6 61.4 47 47 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 -0.039 113.3 118.0 98.4 -34.8 35.8 83.4 63.1 48 48 A E E < -K 45 0C 119 -3,-1.8 -3,-3.2 -4,-0.1 2,-0.6 -0.567 52.8-151.0 -73.7 127.7 33.8 84.5 60.0 49 49 A K E -K 44 0C 137 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.889 15.4-179.2-106.9 115.1 30.1 84.1 60.6 50 50 A T E -K 43 0C 8 -7,-3.0 -7,-5.1 -2,-0.6 2,-0.5 -0.938 10.0-160.6-116.0 131.9 27.8 83.4 57.6 51 51 A V E -K 42 0C 51 -2,-0.4 -9,-0.3 -9,-0.3 2,-0.2 -0.963 14.4-179.8-113.9 119.4 24.0 83.0 57.9 52 52 A L E +K 41 0C 1 -11,-2.9 -11,-2.7 -2,-0.5 -35,-0.1 -0.702 17.3 164.8-113.1 167.0 22.2 81.3 55.1 53 53 A H S S+ 0 0 63 -13,-0.2 -14,-0.1 -2,-0.2 -1,-0.1 0.353 81.5 13.3-139.1 -69.6 18.5 80.5 54.5 54 54 A L S S+ 0 0 0 -17,-0.1 25,-0.1 24,-0.1 3,-0.1 0.869 109.3 80.7 -85.7 -45.4 17.7 79.6 51.0 55 55 A I S S- 0 0 0 1,-0.1 -2,-0.1 24,-0.1 13,-0.0 -0.408 91.5-104.6 -67.2 134.9 21.2 79.0 49.6 56 56 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.309 25.2-116.4 -61.6 146.9 22.7 75.6 50.4 57 57 A S T 3 S+ 0 0 0 1,-0.3 3,-0.2 2,-0.1 -33,-0.1 0.310 106.9 71.8 -66.5 10.3 25.4 75.5 53.0 58 58 A G T > + 0 0 0 1,-0.1 3,-1.7 2,-0.1 -1,-0.3 0.481 67.9 101.0-104.1 2.2 28.0 74.3 50.6 59 59 A I T < + 0 0 0 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.728 69.6 61.5 -57.5 -31.7 28.2 77.7 48.9 60 60 A L T 3 S+ 0 0 37 -3,-0.2 2,-0.5 31,-0.1 -1,-0.3 0.289 91.5 86.2 -80.7 11.2 31.4 78.9 50.6 61 61 A R S X S- 0 0 34 -3,-1.7 3,-0.7 3,-0.2 2,-0.2 -0.947 72.3-140.4-116.1 130.0 33.3 76.1 49.1 62 62 A E T 3 S+ 0 0 134 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.618 88.0 34.1 -83.6 151.1 34.8 76.3 45.6 63 63 A N T 3 S+ 0 0 138 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.703 98.7 102.0 78.1 19.2 34.6 73.2 43.4 64 64 A V < - 0 0 6 -3,-0.7 2,-0.4 -5,-0.1 -35,-0.2 -0.969 63.2-149.0-136.8 113.8 31.2 72.4 44.9 65 65 A T E -c 29 0A 43 -37,-2.7 -35,-1.6 -2,-0.4 2,-0.5 -0.711 11.3-143.6 -87.6 132.3 28.1 73.3 43.0 66 66 A S E -ce 30 97A 0 30,-3.5 32,-1.7 -2,-0.4 2,-0.4 -0.871 16.5-168.7 -99.7 131.9 25.0 74.2 45.0 67 67 A I E -ce 31 98A 0 -37,-2.7 -35,-2.5 -2,-0.5 2,-0.8 -0.939 17.6-151.1-124.8 136.9 21.6 73.1 43.8 68 68 A I E -ce 32 99A 0 30,-2.2 32,-0.7 -2,-0.4 35,-0.2 -0.921 29.5-142.8-105.7 103.6 18.2 74.1 45.0 69 69 A G > - 0 0 0 -37,-2.5 3,-2.1 -2,-0.8 183,-0.2 -0.149 25.4-100.9 -64.9 165.0 15.9 71.1 44.4 70 70 A N T 3 S+ 0 0 37 1,-0.3 182,-0.2 182,-0.1 -1,-0.1 0.650 116.3 72.2 -61.1 -16.3 12.3 71.2 43.2 71 71 A G T 3 S+ 0 0 5 180,-2.4 -36,-0.6 -39,-0.3 -1,-0.3 0.788 79.2 91.9 -70.6 -25.1 11.2 70.6 46.8 72 72 A V B < S-j 35 0B 0 -3,-2.1 2,-0.6 -40,-0.4 -36,-0.2 -0.467 73.2-140.6 -73.4 131.9 12.2 74.1 47.8 73 73 A V - 0 0 0 -38,-2.6 2,-0.5 -2,-0.2 32,-0.2 -0.851 31.6-141.6 -89.6 130.6 9.6 76.7 47.6 74 74 A L B -l 105 0D 0 30,-2.4 32,-2.3 -2,-0.6 3,-0.1 -0.866 23.6-166.7-114.0 123.0 11.5 79.7 46.2 75 75 A S > - 0 0 10 -2,-0.5 4,-2.5 30,-0.2 5,-0.1 -0.872 7.2-163.5 -96.0 115.9 11.3 83.4 47.0 76 76 A P H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.845 91.8 57.1 -69.3 -32.1 13.1 85.3 44.3 77 77 A A H > S+ 0 0 70 29,-0.3 4,-2.2 2,-0.2 5,-0.2 0.981 111.1 40.0 -58.8 -59.6 13.2 88.3 46.7 78 78 A A H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 113.5 55.2 -58.2 -43.6 14.9 86.4 49.4 79 79 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.930 109.7 48.2 -56.4 -44.4 17.2 84.6 46.9 80 80 A M H >X S+ 0 0 39 -4,-2.5 4,-2.6 2,-0.2 3,-1.0 0.983 111.1 47.4 -57.2 -65.1 18.3 88.0 45.6 81 81 A K H 3X S+ 0 0 147 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.865 114.9 48.8 -44.7 -42.1 19.0 89.5 49.0 82 82 A E H 3X S+ 0 0 11 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.3 0.806 109.7 50.9 -73.3 -31.1 20.9 86.4 49.9 83 83 A M H S+ 0 0 5 -4,-1.2 5,-3.5 2,-0.2 4,-0.6 0.869 114.3 54.9 -71.0 -41.7 27.6 86.8 49.6 87 87 A E H <5S+ 0 0 61 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.857 110.2 50.4 -59.5 -35.0 28.5 88.2 46.2 88 88 A D H <5S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.946 104.0 54.3 -67.9 -48.6 29.5 91.2 48.3 89 89 A R H <5S- 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.646 130.7 -98.3 -61.8 -7.9 31.6 89.2 50.7 90 90 A G T <5S+ 0 0 55 -4,-0.6 -3,-0.2 1,-0.4 -2,-0.1 0.505 79.4 141.3 104.5 2.2 33.3 88.0 47.6 91 91 A I < - 0 0 23 -5,-3.5 2,-1.6 -6,-0.2 -1,-0.4 -0.718 50.9-137.9 -82.2 123.8 31.5 84.8 47.2 92 92 A P >> + 0 0 36 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.444 37.9 163.0 -79.9 61.3 30.7 84.1 43.4 93 93 A V H >> + 0 0 0 -2,-1.6 3,-1.9 -10,-0.3 4,-1.7 0.895 66.5 58.4 -46.2 -61.7 27.2 82.8 44.0 94 94 A R H 34 S+ 0 0 125 1,-0.3 -1,-0.3 -3,-0.2 -11,-0.0 0.760 108.9 50.1 -44.4 -27.0 25.9 83.2 40.4 95 95 A E H <4 S+ 0 0 163 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.712 115.5 36.9 -89.3 -21.7 28.7 80.9 39.4 96 96 A R H << S+ 0 0 36 -3,-1.9 -30,-3.5 -4,-0.8 2,-0.2 0.527 99.8 87.1-108.4 -7.3 28.2 78.0 41.9 97 97 A L E < -e 66 0A 5 -4,-1.7 2,-0.3 -32,-0.2 -30,-0.2 -0.606 46.6-178.5 -98.4 154.1 24.4 77.8 42.2 98 98 A L E -e 67 0A 42 -32,-1.7 -30,-2.2 -2,-0.2 2,-0.2 -0.984 9.1-156.8-148.0 141.7 21.8 76.0 40.1 99 99 A L E -ef 68 201A 0 101,-3.0 103,-2.2 -2,-0.3 2,-0.5 -0.735 17.0-124.2-117.3 170.5 18.0 75.9 40.3 100 100 A S > - 0 0 9 -32,-0.7 3,-2.1 -2,-0.2 48,-0.3 -0.969 15.0-140.9-115.4 125.6 15.2 73.5 39.3 101 101 A E T 3 S+ 0 0 88 -2,-0.5 48,-2.4 101,-0.4 49,-0.3 0.400 98.8 71.4 -66.2 5.0 12.6 75.1 37.1 102 102 A A T 3 + 0 0 22 46,-0.2 -1,-0.3 45,-0.1 -33,-0.1 0.498 66.9 113.6-101.4 -3.8 10.2 73.0 39.2 103 103 A C < - 0 0 0 -3,-2.1 45,-2.0 -35,-0.2 -30,-0.2 -0.435 68.8-126.5 -67.3 128.0 10.5 75.0 42.4 104 104 A P B -M 147 0E 5 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.259 27.4-115.7 -67.3 172.1 7.2 76.7 43.2 105 105 A L B -l 74 0D 3 41,-1.9 2,-0.6 -32,-0.2 41,-0.3 -0.923 13.2-149.3-113.0 138.0 7.4 80.5 43.8 106 106 A I + 0 0 5 -32,-2.3 -29,-0.3 -2,-0.4 2,-0.3 -0.930 28.6 175.6-103.8 122.0 6.7 82.3 47.0 107 107 A L >> - 0 0 9 -2,-0.6 3,-3.7 25,-0.1 4,-0.9 -0.829 47.6 -82.5-123.7 164.6 5.4 85.8 46.2 108 108 A D H 3> S+ 0 0 70 1,-0.3 4,-1.9 -2,-0.3 3,-0.3 0.769 123.1 60.2 -33.0 -47.0 4.1 88.7 48.2 109 109 A Y H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.759 100.2 56.3 -63.0 -19.6 0.6 87.2 48.4 110 110 A H H <> S+ 0 0 3 -3,-3.7 4,-2.5 2,-0.2 22,-0.3 0.920 106.0 48.1 -77.8 -42.5 1.9 84.1 50.2 111 111 A V H X S+ 0 0 51 -4,-0.9 4,-2.0 -3,-0.3 21,-0.3 0.877 113.8 50.2 -61.9 -37.2 3.5 86.0 53.0 112 112 A A H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.864 111.0 46.0 -67.0 -44.0 0.3 88.0 53.3 113 113 A L H X S+ 0 0 1 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.887 111.7 54.7 -64.4 -41.8 -1.9 84.9 53.5 114 114 A D H X S+ 0 0 5 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.897 111.7 42.2 -58.3 -48.0 0.5 83.4 56.0 115 115 A N H X S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.931 115.4 51.0 -67.4 -44.4 0.3 86.4 58.3 116 116 A A H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 110.5 47.3 -58.7 -49.2 -3.5 86.5 57.8 117 117 A R H X S+ 0 0 43 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.843 112.8 51.0 -62.4 -35.1 -4.1 82.8 58.6 118 118 A E H < S+ 0 0 26 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.904 109.4 47.4 -70.1 -41.9 -1.9 83.1 61.7 119 119 A K H >< S+ 0 0 172 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.868 113.6 50.7 -65.9 -32.0 -3.6 86.1 63.1 120 120 A A H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.763 98.4 63.7 -74.9 -29.9 -6.9 84.3 62.4 121 121 A R T >< S+ 0 0 83 -4,-1.3 3,-2.3 1,-0.2 -1,-0.2 0.650 86.4 178.7 -65.9 -17.9 -5.7 81.1 64.2 122 122 A G G X + 0 0 47 -3,-0.6 3,-1.0 -4,-0.5 -1,-0.2 -0.264 64.1 3.2 56.9-118.8 -5.6 83.4 67.2 123 123 A A G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.724 134.0 57.1 -71.1 -22.8 -4.5 81.6 70.3 124 124 A K G < S+ 0 0 156 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 -0.005 76.6 145.3 -97.8 25.9 -3.9 78.4 68.3 125 125 A A < - 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0 0 91 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.494 20.3-159.2 -69.7 115.9 -0.9 94.7 44.2 183 183 A Y H > S+ 0 0 61 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.925 90.7 49.6 -53.1 -56.3 -0.7 92.5 41.1 184 184 A Q H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.815 108.6 52.8 -55.8 -41.1 1.4 95.0 39.1 185 185 A K H > S+ 0 0 81 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.990 113.1 43.4 -58.9 -58.3 3.9 95.5 41.8 186 186 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.861 112.9 52.6 -55.2 -41.9 4.5 91.7 42.1 187 187 A L H X S+ 0 0 14 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.940 115.1 42.0 -60.8 -44.0 4.6 91.4 38.3 188 188 A D H X S+ 0 0 89 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.926 113.7 50.2 -67.7 -50.8 7.2 94.1 38.1 189 189 A D H < S+ 0 0 84 -4,-3.5 3,-0.4 1,-0.2 4,-0.3 0.947 117.3 41.7 -52.2 -52.5 9.3 92.9 41.1 190 190 A T H >X S+ 0 0 5 -4,-2.6 3,-2.6 -5,-0.2 4,-1.5 0.936 108.0 57.2 -62.7 -52.9 9.3 89.4 39.7 191 191 A M H 3< S+ 0 0 54 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.759 100.5 62.8 -51.2 -27.4 9.9 90.2 36.1 192 192 A A T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.598 112.8 31.5 -76.5 -13.4 13.0 92.1 37.2 193 193 A V T X> S+ 0 0 22 -3,-2.6 4,-2.2 -4,-0.3 3,-2.1 0.435 90.5 101.1-119.0 -9.0 14.7 88.9 38.6 194 194 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 5,-0.2 0.823 83.8 49.0 -44.6 -41.6 13.2 86.6 36.1 195 195 A D H 34 S+ 0 0 97 -4,-0.4 4,-0.4 2,-0.2 -1,-0.3 0.630 107.1 53.8 -79.0 -15.5 16.4 86.5 34.0 196 196 A I H <4 S+ 0 0 40 -3,-2.1 4,-0.3 2,-0.1 3,-0.2 0.924 114.6 42.0 -78.8 -48.8 18.6 85.9 37.0 197 197 A L H >< S+ 0 0 0 -4,-2.2 3,-3.4 1,-0.2 4,-0.4 0.987 111.5 50.3 -58.3 -68.6 16.6 82.8 38.0 198 198 A T G >< S+ 0 0 28 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.686 105.7 60.4 -47.3 -24.9 16.0 81.3 34.5 199 199 A S G 3 S+ 0 0 90 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.583 103.2 49.6 -82.0 -12.2 19.7 81.5 33.8 200 200 A M G < S+ 0 0 8 -3,-3.4 -101,-3.0 -4,-0.3 -1,-0.2 0.312 85.8 125.6-106.3 3.8 20.6 79.3 36.8 201 201 A V B < +f 99 0A 33 -3,-0.5 2,-0.3 -4,-0.4 -101,-0.2 -0.291 29.6 166.1 -65.6 146.7 18.1 76.6 35.9 202 202 A V - 0 0 38 -103,-2.2 2,-1.6 -2,-0.0 -101,-0.4 -0.978 46.6-106.4-156.9 148.7 19.1 73.0 35.4 203 203 A D > - 0 0 97 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 -0.670 40.8-172.5 -81.8 90.3 17.3 69.6 35.2 204 204 A V H > S+ 0 0 2 -2,-1.6 4,-3.1 1,-0.2 5,-0.2 0.809 74.7 52.6 -52.6 -47.2 18.3 68.4 38.6 205 205 A S H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.2 47.0 -61.5 -42.3 17.1 64.8 38.5 206 206 A D H > S+ 0 0 82 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.935 114.0 48.7 -63.4 -43.5 18.9 64.2 35.3 207 207 A L H X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.924 111.4 48.8 -59.8 -47.0 22.0 65.8 36.8 208 208 A L H X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.811 110.2 51.3 -64.8 -34.3 21.8 63.8 40.0 209 209 A D H X S+ 0 0 55 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.893 110.8 48.9 -70.7 -36.6 21.4 60.6 38.1 210 210 A Q H >X S+ 0 0 79 -4,-2.1 4,-1.5 2,-0.2 3,-0.6 0.950 109.8 49.9 -64.2 -51.4 24.5 61.4 36.0 211 211 A A H 3X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.3 4,-0.8 0.844 106.4 58.0 -55.6 -34.2 26.5 62.2 39.1 212 212 A R H 3<5S+ 0 0 72 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.887 106.6 47.9 -64.1 -37.5 25.4 58.9 40.5 213 213 A Q H <<5S+ 0 0 127 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.743 112.9 47.3 -73.7 -29.3 26.8 57.1 37.5 214 214 A R H <5S- 0 0 114 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.495 114.5-117.4 -88.3 -8.7 30.2 59.0 37.7 215 215 A G T <5 + 0 0 29 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.604 52.0 170.0 83.7 9.6 30.3 58.3 41.4 216 216 A D < - 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0 0 30 -2,-0.4 3,-1.9 1,-0.2 -1,-0.1 -0.245 23.8-125.1 -56.5 142.3 15.7 57.5 43.3 256 256 A P G > S+ 0 0 100 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.757 106.8 69.1 -61.9 -25.5 15.3 56.3 46.9 257 257 A R G 3 S+ 0 0 196 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.630 93.0 64.4 -70.2 -2.3 17.4 53.3 46.3 258 258 A Y G < + 0 0 63 -3,-1.9 2,-0.6 -4,-0.0 -1,-0.2 0.338 66.1 106.5-103.4 4.6 20.3 55.7 46.0 259 259 A V < - 0 0 44 -3,-1.3 -255,-0.1 1,-0.2 3,-0.1 -0.801 44.4-178.8 -82.7 119.9 20.5 57.3 49.5 260 260 A D + 0 0 80 -257,-1.9 2,-0.3 -2,-0.6 -256,-0.2 0.794 61.2 7.8 -90.1 -35.8 23.7 55.7 51.0 261 261 A Y E -b 4 0A 5 -258,-1.5 -256,-2.5 170,-0.1 2,-0.5 -0.980 58.7-152.7-150.0 139.2 23.9 57.1 54.4 262 262 A V E -b 5 0A 6 -2,-0.3 63,-2.8 61,-0.2 64,-1.1 -0.956 11.4-160.5-120.7 110.5 21.6 59.2 56.5 263 263 A L E -bg 6 326A 0 -258,-2.9 -256,-1.7 -2,-0.5 2,-0.6 -0.803 5.5-156.7 -93.1 118.4 23.3 61.5 59.1 264 264 A G E -bg 7 327A 0 62,-3.2 64,-1.5 -2,-0.6 2,-0.4 -0.871 10.6-140.6-100.1 118.4 20.9 62.6 61.8 265 265 A I E -bg 8 328A 0 -258,-2.7 -256,-2.7 -2,-0.6 2,-0.5 -0.664 20.5-170.0 -76.9 132.7 22.0 65.8 63.5 266 266 A L E - g 0 329A 0 62,-3.0 64,-2.0 -2,-0.4 2,-0.2 -0.951 13.6-146.4-130.5 107.4 21.3 65.6 67.2 267 267 A K E - g 0 330A 2 -2,-0.5 64,-0.2 62,-0.2 -252,-0.1 -0.526 28.5-117.4 -71.2 139.9 21.6 68.6 69.4 268 268 A A S S+ 0 0 0 62,-3.0 42,-0.4 -2,-0.2 2,-0.3 0.604 96.9 15.6 -55.9 -11.2 22.8 67.6 72.9 269 269 A Y S S- 0 0 0 40,-0.2 2,-0.2 61,-0.1 40,-0.2 -0.935 92.5 -89.3-152.4 168.8 19.5 69.0 74.3 270 270 A S E +N 308 0F 0 38,-1.6 38,-1.8 -2,-0.3 2,-0.3 -0.559 35.1 170.3 -92.3 151.4 16.1 70.0 72.9 271 271 A T E -N 307 0F 4 36,-0.2 -260,-0.3 -2,-0.2 2,-0.3 -0.952 8.6-169.3-148.1 160.2 14.7 73.3 71.6 272 272 A R E -N 306 0F 2 34,-1.1 34,-3.4 -2,-0.3 2,-0.5 -0.967 8.2-157.7-155.7 132.0 11.5 74.3 69.8 273 273 A V + 0 0 25 -262,-0.4 2,-0.2 -2,-0.3 32,-0.1 -0.986 67.8 14.7-114.5 123.4 10.6 77.6 68.0 274 274 A G S S- 0 0 20 -2,-0.5 -147,-0.3 30,-0.3 32,-0.1 -0.503 104.9 -44.9 105.2 178.0 6.9 78.2 67.7 275 275 A A S S+ 0 0 38 -149,-2.0 -2,-0.1 -2,-0.2 -149,-0.0 -0.226 77.5 104.5 -76.7 169.4 4.0 76.5 69.4 276 276 A G S S- 0 0 13 -4,-0.1 -41,-0.1 2,-0.0 -2,-0.0 -0.292 70.6 -58.9 132.8 146.8 3.7 72.8 69.8 277 277 A P + 0 0 21 0, 0.0 -43,-0.1 0, 0.0 3,-0.1 -0.231 43.6 171.1 -57.2 142.4 4.0 69.9 72.3 278 278 A F > - 0 0 13 87,-0.1 3,-1.8 3,-0.0 -6,-0.0 -0.692 9.9-173.8-153.2 83.9 7.4 69.6 73.9 279 279 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.0 0, 0.0 29,-0.0 0.770 84.2 52.8 -55.1 -25.6 7.2 67.0 76.8 280 280 A T T 3 S+ 0 0 0 29,-0.1 29,-1.5 89,-0.1 -10,-0.1 0.208 77.9 141.5-100.4 14.8 10.7 67.7 77.8 281 281 A E B < -O 308 0F 46 -3,-1.8 2,-0.4 27,-0.2 27,-0.3 -0.305 39.4-144.6 -67.1 137.7 10.5 71.5 78.2 282 282 A L + 0 0 25 25,-2.5 25,-0.4 5,-0.1 -1,-0.1 -0.846 23.0 174.3-105.0 134.6 12.3 73.2 81.1 283 283 A F + 0 0 170 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.023 59.4 75.4-124.0 30.5 10.9 76.3 82.9 284 284 A D S > S- 0 0 66 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.502 103.7 -65.5-126.1-163.3 13.6 76.5 85.6 285 285 A E H > S+ 0 0 141 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.877 133.7 50.1 -54.6 -41.4 17.2 77.6 86.2 286 286 A T H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.902 108.5 51.5 -63.5 -44.4 18.3 74.8 83.9 287 287 A G H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.918 113.7 45.6 -57.5 -41.1 15.9 75.9 81.3 288 288 A E H X S+ 0 0 97 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.873 112.2 51.4 -66.9 -41.4 17.3 79.4 81.7 289 289 A F H X S+ 0 0 67 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.824 107.2 51.8 -65.1 -42.0 20.9 78.1 81.6 290 290 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.878 113.2 45.1 -66.5 -39.6 20.4 76.1 78.4 291 291 A C H X>S+ 0 0 11 -4,-1.5 4,-2.5 -5,-0.2 5,-0.8 0.928 115.8 43.9 -71.0 -47.9 19.0 79.1 76.6 292 292 A K H <5S+ 0 0 120 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.951 121.3 41.9 -63.5 -41.2 21.6 81.6 77.8 293 293 A Q H <5S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.857 116.6 47.3 -73.7 -33.2 24.3 79.1 77.1 294 294 A G H <5S- 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.814 93.9-145.9 -76.4 -28.6 22.8 77.9 73.8 295 295 A N T <5 + 0 0 116 -4,-2.5 2,-1.1 1,-0.2 3,-0.3 0.913 39.5 157.0 62.7 43.4 22.3 81.5 72.6 296 296 A E < + 0 0 22 -5,-0.8 9,-1.9 1,-0.2 -1,-0.2 -0.547 14.4 138.6 -96.2 65.6 19.1 80.4 70.8 297 297 A F - 0 0 102 -2,-1.1 6,-0.3 7,-0.2 -1,-0.2 0.850 48.1-135.8 -84.5 -32.6 17.6 83.9 70.8 298 298 A G - 0 0 42 -3,-0.3 -1,-0.2 1,-0.1 6,-0.1 -0.423 23.7 -87.4 104.6 176.0 16.1 84.3 67.3 299 299 A A S S- 0 0 81 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.644 100.2 -15.9 -98.0 -21.8 16.0 87.0 64.7 300 300 A T S > S- 0 0 99 -3,-0.1 3,-2.6 1,-0.0 -1,-0.2 -0.948 100.8 -25.1-164.3-176.1 13.0 88.5 66.2 301 301 A T T 3 S+ 0 0 144 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 -0.111 125.1 14.8 -43.7 126.7 10.0 88.5 68.5 302 302 A G T 3 S+ 0 0 57 -5,-0.1 -1,-0.3 1,-0.1 -28,-0.2 0.479 97.6 97.9 84.1 0.3 8.9 84.9 69.0 303 303 A R < + 0 0 33 -3,-2.6 2,-0.9 -6,-0.3 -2,-0.1 0.136 46.3 122.2-103.9 13.2 12.1 83.2 67.6 304 304 A R - 0 0 164 -4,-0.1 -30,-0.3 -6,-0.1 -7,-0.2 -0.731 67.8-126.9 -78.9 108.1 13.5 82.7 71.1 305 305 A R - 0 0 33 -9,-1.9 -32,-0.2 -2,-0.9 2,-0.2 -0.318 12.0-129.1 -62.2 135.5 13.9 79.0 71.2 306 306 A R E -N 272 0F 55 -34,-3.4 -34,-1.1 -32,-0.1 2,-0.3 -0.564 28.7-151.5 -79.9 155.5 12.4 76.9 73.9 307 307 A T E +N 271 0F 8 -25,-0.4 -25,-2.5 -36,-0.2 2,-0.3 -0.862 25.4 140.9-131.0 162.0 14.7 74.5 75.7 308 308 A G E -NO 270 281F 0 -38,-1.8 -38,-1.6 -2,-0.3 -27,-0.2 -0.977 50.9 -52.3-178.2 178.4 14.6 71.2 77.5 309 309 A W - 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