==== 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-APR-99 1QF4 . COMPND 2 MOLECULE: PROTEIN (ADENYLOSUCCINATE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HANESSIAN,P.-P.LU,J.-Y.SANCEAU,P.CHEMLA,K.GOHDA,R.FONNE-PF . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 70.8 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 . 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 . 0 0.0 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 . 52 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 26.9 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 0 1 1 1 2 1 0 2 0 0 1 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 . 3 1 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 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 17 0, 0.0 430,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.6 56.6 6.8 18.4 2 2 A N + 0 0 61 1,-0.2 216,-2.4 215,-0.1 2,-0.8 0.922 360.0 51.6 -75.8 -43.2 54.8 5.1 15.6 3 3 A N E S-a 218 0A 6 255,-0.3 257,-1.5 214,-0.2 258,-1.5 -0.821 73.9-179.6-101.3 103.1 51.3 4.8 17.1 4 4 A V E -ab 219 261A 0 214,-2.5 216,-3.0 -2,-0.8 2,-0.4 -0.853 13.5-156.8-108.9 137.5 50.2 8.2 18.4 5 5 A V E -ab 220 262A 0 256,-2.2 258,-3.2 -2,-0.4 2,-0.5 -0.913 3.5-166.1-112.0 134.3 46.9 9.0 20.2 6 6 A V E +ab 221 263A 0 214,-2.5 216,-3.3 -2,-0.4 2,-0.3 -0.974 23.7 154.5-122.7 115.6 45.4 12.5 20.3 7 7 A L E - b 0 264A 2 256,-1.9 258,-3.1 -2,-0.5 2,-0.5 -0.882 44.6 -97.1-139.0 166.1 42.6 13.0 22.8 8 8 A G E - b 0 265A 1 216,-0.5 218,-2.0 -2,-0.3 258,-0.1 -0.742 19.8-163.6 -87.8 128.0 40.9 15.7 24.8 9 9 A T S S+ 0 0 1 256,-2.1 309,-0.2 -2,-0.5 -1,-0.1 0.610 77.7 30.0 -84.7 -9.1 42.0 16.1 28.4 10 10 A Q S S- 0 0 8 255,-0.4 217,-2.2 214,-0.1 218,-0.3 0.385 122.0 -44.3-116.2-119.1 39.0 18.1 29.4 11 11 A W S S- 0 0 10 1,-0.4 262,-0.3 260,-0.4 214,-0.3 0.038 92.1 -88.0-112.5 31.8 35.3 18.3 28.2 12 12 A G S S+ 0 0 3 212,-0.3 -1,-0.4 260,-0.1 259,-0.2 -0.200 99.7 76.4 88.7 170.2 36.0 18.2 24.4 13 13 A D + 0 0 41 1,-0.1 212,-0.1 211,-0.1 259,-0.0 0.753 49.8 137.7 57.5 32.3 36.7 20.9 21.9 14 14 A E S S- 0 0 0 210,-0.2 -1,-0.1 251,-0.1 252,-0.1 0.565 85.6 -89.3 -81.1 -8.7 40.2 21.4 23.1 15 15 A G S > S+ 0 0 29 250,-0.1 4,-1.3 252,-0.1 251,-0.1 0.813 75.2 150.0 102.1 41.0 41.3 21.7 19.4 16 16 A K H > + 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.877 68.1 60.0 -70.3 -42.9 42.0 18.0 18.6 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 104.9 49.0 -51.9 -48.1 41.0 18.4 14.9 18 18 A K H > S+ 0 0 17 24,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.928 112.5 47.3 -59.2 -49.4 43.7 21.0 14.3 19 19 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.845 110.2 51.9 -62.9 -38.2 46.4 18.9 15.9 20 20 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.962 112.1 46.1 -62.0 -51.5 45.5 15.7 14.1 21 21 A D H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.922 113.6 50.1 -56.1 -46.9 45.6 17.5 10.7 22 22 A L H >< S+ 0 0 27 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.892 115.9 40.8 -59.3 -47.4 48.9 19.2 11.6 23 23 A L H >< S+ 0 0 4 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.617 95.3 79.1 -80.5 -13.9 50.5 15.9 12.7 24 24 A T G >< + 0 0 0 -4,-1.6 3,-1.2 -3,-0.4 -1,-0.2 0.575 66.0 91.8 -72.7 -4.9 49.2 13.7 9.9 25 25 A E G < S+ 0 0 126 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.832 98.7 33.8 -55.2 -32.9 51.8 15.1 7.5 26 26 A R G < S+ 0 0 76 -3,-1.2 -1,-0.3 38,-0.0 2,-0.3 0.359 102.8 97.0-105.6 2.9 53.9 12.1 8.7 27 27 A A < - 0 0 2 -3,-1.2 191,-0.2 -4,-0.1 3,-0.1 -0.665 50.5-163.7 -98.2 151.7 51.2 9.5 9.2 28 28 A K S S+ 0 0 75 189,-2.7 37,-2.5 -2,-0.3 2,-0.3 0.720 82.7 29.6 -95.1 -32.5 50.0 6.7 6.9 29 29 A Y E -cd 65 218A 33 188,-1.6 190,-3.1 35,-0.2 2,-0.4 -0.974 55.9-170.2-133.8 146.1 46.8 6.2 8.9 30 30 A V E -cd 66 219A 0 35,-1.4 37,-2.1 -2,-0.3 2,-0.4 -0.998 19.0-165.2-131.8 127.6 44.4 8.3 11.0 31 31 A V E -cd 67 220A 0 188,-3.0 190,-3.5 -2,-0.4 2,-0.5 -0.972 17.7-154.4-125.3 132.3 41.7 6.4 13.0 32 32 A R E +cd 68 221A 2 35,-2.2 37,-2.6 -2,-0.4 40,-0.3 -0.858 18.9 175.6 -94.6 134.5 38.6 7.5 14.8 33 33 A Y + 0 0 1 188,-0.7 2,-0.3 -2,-0.5 -1,-0.1 0.430 53.3 18.4-125.3 0.7 37.7 5.0 17.5 34 34 A Q S S+ 0 0 5 187,-0.3 38,-0.2 37,-0.1 -1,-0.2 -0.989 91.0 33.9-164.3 162.3 34.7 6.3 19.4 35 35 A G - 0 0 0 36,-0.5 38,-2.2 -2,-0.3 2,-0.2 -0.413 61.2-130.2 85.2-165.7 31.8 8.7 19.3 36 36 A G > - 0 0 0 36,-0.2 3,-1.0 -2,-0.1 38,-0.1 -0.518 60.4 -31.4-154.0-134.5 29.9 9.6 16.2 37 37 A H T 3 S+ 0 0 22 36,-0.3 17,-0.2 1,-0.2 -2,-0.0 0.169 111.3 87.3 -88.1 17.4 28.8 12.8 14.5 38 38 A N T 3 S+ 0 0 17 15,-0.1 -1,-0.2 93,-0.0 2,-0.2 0.657 72.7 93.1 -82.6 -17.2 28.4 14.6 17.8 39 39 A A < - 0 0 2 -3,-1.0 2,-0.4 14,-0.3 184,-0.1 -0.480 58.1-170.4 -73.8 142.7 32.1 15.4 17.4 40 40 A G - 0 0 6 -2,-0.2 2,-0.6 14,-0.1 259,-0.2 -0.897 5.5-179.9-140.1 98.8 32.9 18.7 15.7 41 41 A H E -J 52 0B 8 11,-2.3 11,-2.2 -2,-0.4 2,-0.4 -0.941 14.6-151.4-107.2 113.6 36.6 19.1 14.8 42 42 A T E -J 51 0B 56 -2,-0.6 2,-0.4 9,-0.2 -24,-0.3 -0.702 11.6-172.9 -89.4 126.5 37.5 22.4 13.1 43 43 A L E -J 50 0B 1 7,-3.5 7,-3.0 -2,-0.4 2,-0.4 -0.936 4.2-169.1-116.7 141.5 40.4 22.6 10.7 44 44 A V E +Jk 49 418B 22 373,-0.5 375,-2.2 -2,-0.4 2,-0.6 -0.934 6.4 179.5-133.5 106.9 41.6 25.9 9.2 45 45 A I E > S-J 48 0B 22 3,-2.4 3,-2.7 -2,-0.4 373,-0.1 -0.949 76.3 -23.0-111.4 119.5 44.2 25.7 6.4 46 46 A N T 3 S- 0 0 150 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.882 129.9 -49.4 47.3 41.9 45.3 29.0 4.9 47 47 A G T 3 S+ 0 0 61 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.295 110.5 126.4 85.2 -11.4 42.2 30.6 6.2 48 48 A E E < -J 45 0B 106 -3,-2.7 -3,-2.4 1,-0.0 2,-0.6 -0.689 50.4-146.9 -82.5 127.6 39.9 27.9 4.8 49 49 A K E +J 44 0B 128 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.882 19.0 177.7-104.9 123.5 37.6 26.4 7.4 50 50 A T E -J 43 0B 3 -7,-3.0 -7,-3.5 -2,-0.6 2,-0.6 -0.952 10.5-162.9-120.8 132.5 36.6 22.7 7.4 51 51 A V E -J 42 0B 38 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.946 10.4-172.4-119.9 109.1 34.4 21.2 10.1 52 52 A L E +J 41 0B 3 -11,-2.2 -11,-2.3 -2,-0.6 -35,-0.1 -0.624 14.3 169.5 -94.0 157.7 34.4 17.4 10.2 53 53 A H S S+ 0 0 46 -2,-0.2 -14,-0.3 -13,-0.2 -15,-0.1 0.553 80.6 8.6-131.5 -52.6 32.1 15.3 12.4 54 54 A L S S+ 0 0 0 -17,-0.2 -22,-0.1 24,-0.2 25,-0.1 0.734 110.3 83.2-104.1 -36.7 32.3 11.6 11.4 55 55 A I S S- 0 0 1 1,-0.1 4,-0.1 24,-0.1 13,-0.0 -0.602 89.2-103.3 -78.1 127.6 35.2 11.6 8.9 56 56 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.087 27.5-118.3 -48.7 141.5 38.8 11.5 10.4 57 57 A S T 3 S+ 0 0 0 1,-0.3 3,-0.2 2,-0.1 -33,-0.1 0.298 107.1 69.4 -66.6 4.6 40.7 14.8 10.4 58 58 A G T > + 0 0 0 1,-0.1 3,-1.8 2,-0.1 6,-0.3 0.315 66.5 104.5-103.8 8.8 43.4 13.4 8.0 59 59 A I T < + 0 0 0 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.573 69.9 62.9 -65.0 -16.5 41.0 13.3 5.1 60 60 A L T 3 S+ 0 0 36 -3,-0.2 2,-0.6 31,-0.1 -1,-0.3 0.461 89.5 81.0 -87.7 -4.6 42.5 16.4 3.5 61 61 A R X - 0 0 27 -3,-1.8 3,-1.5 1,-0.1 -1,-0.0 -0.919 64.9-157.3-106.8 123.6 45.9 14.7 3.0 62 62 A E T 3 S+ 0 0 157 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.666 91.7 63.2 -71.3 -15.3 46.2 12.4 0.0 63 63 A N T 3 S+ 0 0 78 -5,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.552 95.7 71.0 -85.2 -6.8 49.1 10.6 1.8 64 64 A V < - 0 0 1 -3,-1.5 2,-0.6 -6,-0.3 -35,-0.2 -0.894 68.9-144.9-115.4 141.6 46.9 9.3 4.6 65 65 A T E -c 29 0A 45 -37,-2.5 -35,-1.4 -2,-0.4 2,-0.3 -0.910 21.1-142.8-104.0 117.3 44.1 6.7 4.6 66 66 A S E -ce 30 97A 0 30,-2.1 32,-2.2 -2,-0.6 2,-0.4 -0.597 17.4-167.0 -80.7 140.5 41.3 7.7 7.0 67 67 A I E -ce 31 98A 0 -37,-2.1 -35,-2.2 -2,-0.3 2,-0.9 -0.996 17.9-151.3-134.3 128.4 39.7 4.8 8.9 68 68 A I E -ce 32 99A 0 30,-2.4 32,-1.9 -2,-0.4 35,-0.2 -0.885 30.7-145.6 -98.3 101.9 36.5 4.8 10.9 69 69 A G > - 0 0 0 -37,-2.6 3,-2.1 -2,-0.9 183,-0.2 -0.225 24.3 -99.4 -67.9 163.5 37.0 2.2 13.6 70 70 A N T 3 S+ 0 0 39 1,-0.3 182,-0.2 182,-0.1 -37,-0.1 0.665 115.6 69.0 -55.5 -23.4 34.5 -0.2 15.1 71 71 A G T 3 S+ 0 0 6 180,-2.3 -36,-0.5 -39,-0.2 -1,-0.3 0.768 82.0 92.8 -68.7 -25.2 34.0 1.9 18.2 72 72 A V S < S- 0 0 0 -3,-2.1 2,-0.7 179,-0.4 -36,-0.2 -0.439 74.0-137.4 -72.2 137.8 32.4 4.6 16.1 73 73 A V - 0 0 0 -38,-2.2 2,-0.5 30,-0.2 -36,-0.3 -0.904 28.2-144.8 -98.0 111.7 28.6 4.6 15.8 74 74 A L B -l 105 0C 0 30,-2.6 32,-2.8 -2,-0.7 3,-0.1 -0.712 16.5-161.5 -91.3 124.4 27.9 5.4 12.2 75 75 A S > - 0 0 13 -2,-0.5 4,-2.6 30,-0.2 5,-0.2 -0.872 9.4-157.2 -98.4 106.4 24.9 7.4 10.8 76 76 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.891 95.5 49.1 -53.0 -36.4 24.7 6.5 7.1 77 77 A A H > S+ 0 0 76 29,-0.3 4,-1.9 2,-0.2 5,-0.1 0.874 110.1 49.5 -70.4 -41.6 22.9 9.8 6.5 78 78 A A H > S+ 0 0 19 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.897 111.7 49.8 -65.0 -41.6 25.5 11.8 8.4 79 79 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 3,-0.3 0.947 109.6 49.5 -61.2 -54.4 28.3 10.2 6.5 80 80 A M H X S+ 0 0 23 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.935 109.7 51.8 -50.6 -52.1 26.8 10.8 3.0 81 81 A K H X S+ 0 0 139 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.830 115.0 42.0 -55.8 -36.8 26.1 14.4 3.8 82 82 A E H X S+ 0 0 11 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.842 111.7 53.9 -79.8 -38.8 29.7 14.9 4.8 83 83 A M H X S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 10,-0.3 0.935 111.0 48.1 -59.5 -45.2 31.2 12.9 2.0 84 84 A K H X S+ 0 0 114 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.964 109.4 49.9 -60.5 -58.4 29.3 15.0 -0.5 85 85 A E H < S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.821 115.4 45.2 -50.6 -39.6 30.2 18.4 0.9 86 86 A L H ><>S+ 0 0 6 -4,-1.8 5,-1.9 2,-0.2 3,-1.3 0.864 109.0 54.1 -73.0 -42.8 33.9 17.3 0.9 87 87 A E H ><5S+ 0 0 63 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.855 103.7 57.9 -61.4 -31.9 33.8 15.8 -2.6 88 88 A D T 3<5S+ 0 0 132 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.643 103.5 54.8 -70.4 -16.6 32.5 19.1 -3.8 89 89 A R T < 5S- 0 0 101 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.105 128.1 -93.2-105.5 21.1 35.6 20.7 -2.4 90 90 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.639 84.1 131.2 80.2 16.3 38.0 18.6 -4.3 91 91 A I < - 0 0 24 -5,-1.9 2,-2.3 -8,-0.1 -1,-0.2 -0.896 51.5-147.1-103.9 109.1 38.5 15.9 -1.6 92 92 A P >> + 0 0 39 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.490 26.9 173.7 -76.7 77.4 38.2 12.4 -3.1 93 93 A V H >> S+ 0 0 0 -2,-2.3 3,-2.0 -10,-0.3 4,-1.5 0.922 71.5 52.9 -47.4 -61.9 36.7 10.9 0.1 94 94 A R H 34 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.711 104.5 59.3 -51.3 -26.4 35.8 7.5 -1.3 95 95 A E H <4 S+ 0 0 164 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.759 120.1 24.3 -76.3 -25.6 39.4 7.1 -2.5 96 96 A R H << S+ 0 0 31 -3,-2.0 -30,-2.1 -4,-0.8 2,-0.4 0.420 99.8 93.3-123.1 6.7 40.8 7.5 1.0 97 97 A L E < +e 66 0A 3 -4,-1.5 2,-0.3 -32,-0.2 -30,-0.2 -0.850 42.4 173.7-107.6 132.4 38.1 6.5 3.5 98 98 A L E -e 67 0A 46 -32,-2.2 -30,-2.4 -2,-0.4 2,-0.3 -0.914 7.9-170.7-128.6 156.2 37.8 3.0 5.0 99 99 A L E -ef 68 201A 0 101,-1.8 103,-2.2 -2,-0.3 2,-0.3 -0.971 23.6-100.5-149.4 164.9 35.5 1.7 7.7 100 100 A S > - 0 0 9 -32,-1.9 3,-0.8 -2,-0.3 48,-0.3 -0.632 10.8-148.2 -89.7 140.9 34.6 -1.2 10.0 101 101 A E T 3 S+ 0 0 95 101,-0.5 48,-2.6 -2,-0.3 49,-0.2 0.608 100.6 64.6 -76.7 -12.1 31.8 -3.6 9.4 102 102 A A T 3 S+ 0 0 20 46,-0.2 -1,-0.2 45,-0.1 -33,-0.1 0.559 72.7 115.4 -86.4 -11.0 31.6 -3.8 13.2 103 103 A C < - 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0 0 27 -3,-1.3 150,-0.1 1,-0.1 -7,-0.1 -0.336 50.6-143.8 -62.1 136.5 18.3 16.8 30.8 126 126 A I - 0 0 22 148,-0.1 149,-1.3 110,-0.1 -1,-0.1 0.870 30.4-129.2 -67.6 -36.6 21.8 15.9 29.8 127 127 A G - 0 0 24 147,-0.2 -2,-0.0 1,-0.0 146,-0.0 0.900 39.5-175.0 81.9 46.2 21.9 18.4 27.0 128 128 A T - 0 0 49 -14,-0.1 111,-0.0 1,-0.1 146,-0.0 -0.144 39.4-109.7 -66.4 170.4 23.0 15.9 24.4 129 129 A T - 0 0 32 145,-0.0 -1,-0.1 1,-0.0 145,-0.0 0.506 45.7-125.0 -83.4 0.9 23.8 16.9 20.8 130 130 A G S S+ 0 0 16 1,-0.1 -15,-0.1 -16,-0.1 -16,-0.1 0.732 73.5 125.6 63.5 27.2 20.6 15.1 19.7 131 131 A R S S- 0 0 79 -17,-0.1 -94,-0.2 -21,-0.0 -20,-0.2 0.279 82.3-109.4 -97.3 9.7 22.4 12.9 17.2 132 132 A G S > S+ 0 0 0 -21,-0.2 4,-1.7 -22,-0.2 5,-0.2 0.642 74.7 137.5 72.0 15.4 21.1 9.6 18.6 133 133 A I H > + 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.936 68.5 48.1 -58.3 -51.0 24.6 8.6 20.0 134 134 A G H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 111.7 48.0 -56.7 -56.3 23.3 7.3 23.3 135 135 A P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.807 110.4 53.5 -56.1 -32.9 20.5 5.1 21.8 136 136 A A H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.931 110.2 45.3 -68.7 -47.6 22.9 3.6 19.3 137 137 A Y H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.827 111.4 55.3 -62.9 -34.3 25.5 2.6 21.9 138 138 A E H X S+ 0 0 86 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.929 106.0 49.3 -64.6 -46.5 22.6 1.2 24.0 139 139 A D H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 6,-1.9 0.815 109.5 54.6 -62.3 -31.1 21.4 -1.1 21.1 140 140 A K H ><5S+ 0 0 88 -4,-1.4 3,-1.5 4,-0.2 -1,-0.2 0.967 110.5 43.1 -65.3 -55.4 25.0 -2.3 20.7 141 141 A V H 3<5S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.857 111.2 54.8 -58.0 -41.2 25.4 -3.3 24.4 142 142 A A T 3<5S- 0 0 38 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.501 110.5-127.5 -72.1 -4.0 21.9 -4.9 24.4 143 143 A R T < 5S+ 0 0 229 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.815 86.4 98.7 61.7 32.9 23.0 -6.9 21.3 144 144 A R < + 0 0 68 -5,-2.3 -4,-0.2 -6,-0.1 -5,-0.1 0.353 53.4 111.6-124.2 -3.0 20.1 -5.9 19.2 145 145 A G - 0 0 24 -6,-1.9 2,-0.4 -5,-0.1 -9,-0.0 -0.311 65.2-120.9 -74.4 158.3 21.7 -3.1 17.2 146 146 A L - 0 0 5 -41,-0.3 -41,-3.1 -2,-0.1 2,-0.2 -0.794 26.5-161.2-100.4 141.4 22.5 -3.3 13.5 147 147 A R B > -M 104 0D 122 -2,-0.4 3,-1.8 -43,-0.3 4,-0.4 -0.691 35.5 -99.9-117.2 168.9 26.1 -2.9 12.2 148 148 A V G > S+ 0 0 0 -45,-1.8 3,-1.9 1,-0.3 4,-0.3 0.869 119.1 63.9 -53.8 -41.9 27.6 -2.0 8.8 149 149 A G G > S+ 0 0 27 -48,-2.6 3,-0.9 1,-0.3 -1,-0.3 0.674 90.3 68.6 -58.5 -18.1 28.2 -5.7 8.1 150 150 A D G X S+ 0 0 26 -3,-1.8 3,-1.3 -49,-0.2 -1,-0.3 0.735 84.5 69.3 -71.8 -26.9 24.5 -6.2 8.1 151 151 A L G < S+ 0 0 2 -3,-1.9 -1,-0.2 -4,-0.4 3,-0.2 0.616 79.9 80.2 -65.6 -14.2 24.1 -4.3 4.9 152 152 A F G < S+ 0 0 120 -3,-0.9 2,-0.5 -4,-0.3 -1,-0.2 0.727 96.9 40.9 -66.9 -23.7 25.8 -7.1 3.1 153 153 A D S <> S- 0 0 95 -3,-1.3 4,-1.6 -4,-0.2 -1,-0.2 -0.897 72.3-168.4-128.8 97.4 22.6 -9.2 3.0 154 154 A K H > S+ 0 0 83 -2,-0.5 4,-1.3 -3,-0.2 -1,-0.1 0.782 80.9 52.3 -57.2 -36.5 19.7 -6.9 2.2 155 155 A E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.964 112.2 42.5 -68.1 -51.9 16.9 -9.4 2.9 156 156 A T H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.797 111.1 58.1 -64.9 -27.8 18.0 -10.4 6.4 157 157 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.862 105.6 49.6 -67.6 -38.5 18.8 -6.7 7.2 158 158 A A H X S+ 0 0 10 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.866 112.6 47.4 -66.3 -38.6 15.2 -5.8 6.4 159 159 A E H X S+ 0 0 117 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.920 114.4 46.1 -69.0 -44.1 14.0 -8.6 8.7 160 160 A K H X S+ 0 0 80 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.931 113.0 48.7 -63.0 -50.4 16.4 -7.5 11.5 161 161 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.837 106.9 59.8 -57.7 -34.4 15.4 -3.8 11.1 162 162 A K H X S+ 0 0 122 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.955 108.0 43.1 -58.7 -51.5 11.8 -5.0 11.2 163 163 A E H X S+ 0 0 134 -4,-1.9 4,-1.6 1,-0.2 3,-0.2 0.912 113.8 49.6 -60.5 -49.6 12.3 -6.5 14.7 164 164 A V H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.864 111.0 47.9 -61.2 -43.2 14.3 -3.7 16.2 165 165 A M H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.745 104.9 60.4 -71.6 -25.0 11.9 -0.9 15.1 166 166 A E H X S+ 0 0 141 -4,-1.2 4,-1.6 -3,-0.2 -1,-0.2 0.941 111.1 41.5 -62.8 -48.2 8.9 -2.9 16.4 167 167 A Y H X S+ 0 0 114 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.916 116.5 48.5 -63.2 -48.8 10.5 -2.7 19.8 168 168 A H H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.771 110.4 49.9 -66.7 -31.3 11.6 0.9 19.5 169 169 A N H X S+ 0 0 30 -4,-2.1 4,-3.1 2,-0.2 5,-0.4 0.865 102.5 61.1 -75.8 -37.0 8.2 2.2 18.3 170 170 A F H X>S+ 0 0 143 -4,-1.6 4,-2.6 1,-0.2 5,-0.6 0.934 112.3 38.3 -53.8 -50.0 6.3 0.6 21.1 171 171 A Q H X>S+ 0 0 28 -4,-1.4 5,-3.0 3,-0.2 4,-0.8 0.878 115.4 52.1 -70.8 -39.3 8.2 2.6 23.6 172 172 A L H <5S+ 0 0 1 -4,-1.6 6,-3.7 3,-0.2 -2,-0.2 0.894 123.6 29.7 -62.9 -40.2 8.3 5.8 21.6 173 173 A V H <5S+ 0 0 57 -4,-3.1 -2,-0.2 4,-0.3 -3,-0.2 0.940 130.2 33.0 -83.0 -58.1 4.6 5.7 21.0 174 174 A N H <5S+ 0 0 80 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.897 132.9 22.9 -69.2 -47.1 3.2 3.9 24.2 175 175 A Y T < - 0 0 102 -2,-0.5 4,-1.8 1,-0.2 3,-0.3 -0.488 16.9-154.8 -69.6 117.3 8.4 4.8 9.6 183 183 A Y H > S+ 0 0 41 -2,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.839 91.2 53.7 -55.7 -42.1 10.1 1.5 8.9 184 184 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 106.2 51.0 -66.8 -37.3 9.9 1.8 5.1 185 185 A K H > S+ 0 0 114 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.940 113.8 44.7 -65.0 -46.2 11.6 5.3 5.0 186 186 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.931 114.4 49.7 -62.0 -46.5 14.5 4.0 7.1 187 187 A L H X S+ 0 0 20 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.892 115.6 42.9 -60.1 -41.8 14.7 0.8 5.0 188 188 A D H X S+ 0 0 92 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.937 114.3 48.7 -69.8 -49.6 14.6 2.8 1.7 189 189 A D H X S+ 0 0 75 -4,-3.1 4,-0.5 -5,-0.2 -2,-0.2 0.909 114.5 47.1 -57.4 -42.8 17.1 5.5 2.9 190 190 A T H >X S+ 0 0 6 -4,-2.6 3,-1.5 -5,-0.2 4,-1.3 0.940 111.3 48.0 -66.1 -52.3 19.5 2.9 4.2 191 191 A M H 3X S+ 0 0 35 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.783 100.4 67.9 -60.7 -28.9 19.5 0.6 1.1 192 192 A A H 3< S+ 0 0 81 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.752 117.6 23.8 -62.4 -24.6 20.0 3.6 -1.2 193 193 A V H XX S+ 0 0 24 -3,-1.5 4,-2.0 -4,-0.5 3,-1.0 0.458 92.3 104.6-119.3 -4.8 23.5 4.0 0.3 194 194 A A H 3X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.3 -2,-0.1 0.814 83.9 48.1 -45.4 -41.9 24.1 0.4 1.5 195 195 A D H 3X S+ 0 0 99 -4,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.785 107.2 54.6 -73.9 -32.1 26.4 -0.3 -1.4 196 196 A I H <> S+ 0 0 43 -3,-1.0 4,-0.5 2,-0.2 3,-0.2 0.942 112.5 43.9 -64.9 -49.0 28.5 2.9 -1.0 197 197 A L H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.915 112.2 51.1 -62.2 -49.4 29.2 2.1 2.6 198 198 A T H >< S+ 0 0 29 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.745 99.8 64.0 -64.7 -22.1 30.0 -1.6 2.1 199 199 A S H 3< S+ 0 0 93 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.730 102.2 52.2 -72.5 -20.9 32.4 -0.8 -0.7 200 200 A M T << S+ 0 0 5 -3,-1.3 -101,-1.8 -4,-0.5 -1,-0.2 0.478 82.7 125.6 -92.2 -4.1 34.6 1.0 1.9 201 201 A V B < +f 99 0A 32 -3,-0.9 2,-0.3 -4,-0.3 -101,-0.2 -0.266 29.8 166.2 -62.4 136.5 34.6 -1.9 4.4 202 202 A V - 0 0 37 -103,-2.2 2,-1.5 -2,-0.0 -101,-0.5 -0.956 48.0-104.4-146.2 154.5 38.0 -3.2 5.6 203 203 A D > - 0 0 93 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.718 42.6-173.3 -81.0 88.1 39.1 -5.5 8.5 204 204 A V H > S+ 0 0 2 -2,-1.5 4,-2.8 1,-0.2 5,-0.2 0.907 74.8 48.9 -52.3 -53.3 40.4 -2.7 10.6 205 205 A S H > S+ 0 0 56 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.879 114.4 46.0 -60.1 -38.1 42.1 -4.6 13.4 206 206 A D H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.943 113.2 50.1 -69.0 -43.8 44.0 -6.9 11.0 207 207 A L H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.891 109.9 50.4 -58.7 -45.0 45.0 -3.9 8.9 208 208 A L H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.780 108.5 52.6 -65.7 -28.6 46.3 -2.0 12.0 209 209 A D H X S+ 0 0 58 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.846 109.9 49.3 -74.2 -31.1 48.2 -5.1 13.0 210 210 A Q H X S+ 0 0 77 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.929 110.9 48.8 -69.2 -48.0 49.8 -5.1 9.5 211 211 A A H X>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-1.1 0.879 109.9 53.6 -58.6 -39.7 50.7 -1.4 9.8 212 212 A R H ><5S+ 0 0 76 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.936 107.2 49.1 -63.7 -48.9 52.2 -2.0 13.2 213 213 A Q H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 112.1 48.4 -63.7 -30.7 54.5 -4.8 11.9 214 214 A R H 3<5S- 0 0 135 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.696 113.5-122.6 -79.5 -20.0 55.7 -2.6 9.0 215 215 A G T <<5 + 0 0 25 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.1 0.810 50.4 167.1 82.3 29.4 56.3 0.2 11.5 216 216 A D < - 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