==== 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-DEC-01 1KKF . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR Z.HOU,W.WANG,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) . 17299.0 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 . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.1 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 . 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 . 33 7.7 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 . 116 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 1 2 2 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 2 0 1 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 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 21 0, 0.0 430,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 165.9 -6.2 24.1 45.2 2 2 A N + 0 0 64 1,-0.2 216,-2.9 215,-0.1 2,-0.8 0.851 360.0 54.0 -66.6 -39.1 -8.4 25.0 42.3 3 3 A N E S-a 218 0A 2 214,-0.2 257,-2.0 255,-0.1 258,-1.5 -0.864 70.5-179.0-107.9 103.7 -10.3 28.0 43.9 4 4 A V E -ab 219 261A 0 214,-2.4 216,-2.3 -2,-0.8 2,-0.4 -0.898 12.1-155.9-106.7 126.3 -7.8 30.5 45.2 5 5 A V E -ab 220 262A 0 256,-3.1 258,-3.9 -2,-0.5 2,-0.5 -0.852 4.6-166.2-103.9 134.2 -9.0 33.7 46.9 6 6 A V E +ab 221 263A 0 214,-2.5 216,-3.2 -2,-0.4 2,-0.3 -0.987 24.1 151.1-121.4 116.8 -6.8 36.8 47.0 7 7 A L E - b 0 264A 1 256,-2.0 258,-3.2 -2,-0.5 2,-0.6 -0.877 47.3 -89.8-142.0 169.2 -7.7 39.5 49.5 8 8 A G E - b 0 265A 0 216,-0.4 218,-2.8 -2,-0.3 258,-0.1 -0.763 22.3-167.2 -87.0 122.1 -6.4 42.3 51.6 9 9 A T S S+ 0 0 0 256,-2.2 309,-0.2 -2,-0.6 -1,-0.1 0.618 79.2 31.0 -80.5 -10.0 -5.4 41.4 55.2 10 10 A Q S S- 0 0 6 255,-0.4 217,-2.5 214,-0.1 218,-0.4 0.418 124.1 -45.8-114.2-117.3 -5.2 45.1 56.3 11 11 A W S S- 0 0 5 1,-0.6 262,-0.3 260,-0.3 214,-0.2 -0.200 90.2 -87.7-117.8 42.0 -7.1 48.2 55.1 12 12 A G S S+ 0 0 2 212,-0.3 -1,-0.6 211,-0.1 259,-0.2 -0.154 101.5 82.1 78.1 174.6 -6.9 47.6 51.4 13 13 A D + 0 0 43 1,-0.1 -1,-0.1 -3,-0.1 212,-0.1 0.745 52.4 129.2 60.9 29.2 -4.0 48.8 49.1 14 14 A E S S- 0 0 1 210,-0.2 -1,-0.1 251,-0.1 254,-0.1 0.576 86.5 -89.9 -88.3 -14.9 -1.9 45.8 50.0 15 15 A G S > S+ 0 0 30 250,-0.1 4,-1.2 252,-0.1 251,-0.1 0.758 71.0 150.3 110.4 38.5 -1.2 45.0 46.4 16 16 A K H > + 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 67.6 58.6 -67.8 -41.2 -3.9 42.6 45.3 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.961 105.1 49.0 -54.1 -55.1 -4.0 43.6 41.6 18 18 A K H > S+ 0 0 15 24,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.890 113.2 48.9 -53.6 -40.2 -0.4 42.7 40.9 19 19 A I H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.833 110.3 48.3 -72.8 -34.6 -0.9 39.4 42.6 20 20 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 -3,-0.3 -2,-0.2 0.978 113.2 48.4 -67.5 -51.4 -4.0 38.4 40.8 21 21 A D H < S+ 0 0 1 -4,-2.7 4,-0.3 1,-0.2 3,-0.3 0.903 113.8 48.9 -52.7 -45.3 -2.4 39.3 37.4 22 22 A L H >< S+ 0 0 25 -4,-2.3 3,-0.6 -5,-0.3 -1,-0.2 0.904 116.1 40.0 -61.1 -50.4 0.7 37.3 38.4 23 23 A L H >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.565 96.8 77.9 -79.6 -12.9 -1.2 34.1 39.5 24 24 A T G >< + 0 0 0 -4,-1.9 3,-2.3 -3,-0.3 -1,-0.2 0.605 61.3 99.6 -76.4 -4.8 -3.8 34.1 36.8 25 25 A E G < S+ 0 0 123 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.815 96.5 31.2 -47.2 -35.4 -1.4 32.7 34.2 26 26 A R G < S+ 0 0 96 -3,-0.8 191,-0.3 38,-0.0 -1,-0.3 0.323 102.4 109.0-106.9 3.5 -2.9 29.2 34.8 27 27 A A < - 0 0 3 -3,-2.3 191,-0.2 1,-0.1 3,-0.1 -0.490 50.9-163.2 -85.6 154.3 -6.4 30.4 35.7 28 28 A K S S+ 0 0 80 189,-2.9 37,-3.1 1,-0.3 2,-0.3 0.754 79.8 21.1 -99.9 -36.9 -9.5 30.0 33.6 29 29 A Y E -cd 65 218A 15 188,-1.4 190,-1.6 35,-0.2 2,-0.4 -0.941 54.3-163.0-135.3 156.9 -11.5 32.7 35.5 30 30 A V E -cd 66 219A 0 35,-1.6 37,-3.2 -2,-0.3 2,-0.4 -0.992 20.3-163.0-136.3 129.2 -10.9 35.7 37.7 31 31 A V E -cd 67 220A 0 188,-3.0 190,-4.5 -2,-0.4 2,-0.5 -0.958 16.9-154.9-125.7 135.4 -13.9 37.0 39.8 32 32 A R E +cd 68 221A 0 35,-1.9 37,-2.7 -2,-0.4 40,-0.3 -0.923 17.8 176.5 -99.0 132.8 -14.5 40.3 41.6 33 33 A Y + 0 0 1 188,-0.7 2,-0.3 -2,-0.5 189,-0.1 0.470 56.5 13.9-120.7 -6.1 -17.0 39.6 44.4 34 34 A Q S S+ 0 0 5 187,-0.4 -1,-0.3 37,-0.1 38,-0.2 -0.986 91.4 39.4-162.1 164.1 -17.4 42.9 46.2 35 35 A G - 0 0 0 36,-0.5 38,-2.7 -2,-0.3 2,-0.2 -0.378 58.3-130.1 88.7-171.3 -16.7 46.6 46.0 36 36 A G > - 0 0 0 36,-0.2 3,-0.7 -2,-0.1 38,-0.1 -0.427 61.4 -37.9-147.1-131.9 -17.0 48.8 42.9 37 37 A H T 3 S+ 0 0 28 36,-0.2 17,-0.2 1,-0.2 18,-0.1 0.050 110.1 92.3 -97.0 23.0 -14.7 51.3 41.3 38 38 A N T 3 S+ 0 0 15 15,-0.1 -1,-0.2 16,-0.0 262,-0.1 0.776 73.3 83.8 -80.5 -28.7 -13.5 52.5 44.7 39 39 A A < - 0 0 6 -3,-0.7 2,-0.2 14,-0.2 184,-0.1 -0.194 63.9-164.4 -69.0 161.2 -10.7 50.0 44.4 40 40 A G - 0 0 16 13,-0.1 2,-0.5 14,-0.1 259,-0.3 -0.707 6.0-174.0-152.3 91.0 -7.7 50.8 42.4 41 41 A H E -J 52 0B 13 11,-1.8 11,-3.5 -2,-0.2 2,-0.6 -0.815 10.2-153.2 -93.0 128.0 -5.5 47.9 41.4 42 42 A T E -J 51 0B 50 -2,-0.5 -24,-0.4 9,-0.2 2,-0.3 -0.885 10.5-173.0-107.1 117.3 -2.1 48.7 39.6 43 43 A L E -J 50 0B 0 7,-3.7 7,-2.9 -2,-0.6 2,-0.4 -0.792 1.4-169.5-104.4 146.0 -0.6 46.2 37.3 44 44 A V E +J 49 0B 22 373,-0.4 375,-2.3 -2,-0.3 2,-0.4 -0.932 8.6 172.9-141.8 114.6 2.9 46.7 35.8 45 45 A I E > S-J 48 0B 32 3,-2.7 3,-4.0 -2,-0.4 373,-0.0 -0.992 77.0 -16.2-124.0 127.3 4.3 44.5 33.0 46 46 A N T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.793 129.2 -55.4 48.6 33.0 7.6 45.3 31.3 47 47 A G T 3 S+ 0 0 63 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.431 109.7 128.7 84.1 -4.9 7.3 48.7 32.9 48 48 A E E < -J 45 0B 113 -3,-4.0 -3,-2.7 2,-0.0 2,-0.4 -0.794 49.1-147.4 -89.2 126.1 3.9 49.3 31.3 49 49 A K E -J 44 0B 126 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.786 18.2-177.7-100.0 136.4 1.4 50.3 34.0 50 50 A T E -J 43 0B 5 -7,-2.9 -7,-3.7 -2,-0.4 2,-0.6 -0.996 9.3-161.2-130.6 127.5 -2.4 49.6 34.0 51 51 A V E -J 42 0B 50 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.963 12.9-171.1-113.0 112.5 -4.6 50.9 36.8 52 52 A L E +J 41 0B 2 -11,-3.5 -11,-1.8 -2,-0.6 -35,-0.1 -0.644 16.7 167.3 -98.5 157.6 -7.9 48.9 37.1 53 53 A H S S+ 0 0 41 -13,-0.2 -14,-0.2 -2,-0.2 -1,-0.1 0.445 82.3 4.1-129.9 -68.5 -10.8 50.0 39.2 54 54 A L S S+ 0 0 0 -17,-0.2 25,-0.1 24,-0.2 -2,-0.1 0.801 110.6 88.9 -92.0 -34.2 -13.9 48.0 38.4 55 55 A I S S- 0 0 1 1,-0.1 4,-0.1 24,-0.1 13,-0.0 -0.480 87.2-108.3 -70.5 131.3 -12.4 45.6 35.8 56 56 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.177 25.4-115.0 -57.3 152.0 -10.9 42.4 37.3 57 57 A S T 3 S+ 0 0 0 1,-0.3 -33,-0.2 2,-0.1 3,-0.1 0.115 106.1 69.9 -78.3 20.0 -7.1 42.0 37.4 58 58 A G T > + 0 0 0 1,-0.1 3,-1.2 -28,-0.1 6,-0.3 0.171 67.2 104.7-117.1 16.3 -6.9 39.1 35.0 59 59 A I T < + 0 0 0 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.631 67.2 65.0 -72.6 -18.4 -8.0 41.2 32.0 60 60 A L T 3 S+ 0 0 36 -3,-0.1 2,-0.6 31,-0.1 -1,-0.3 0.408 90.0 86.2 -85.1 4.4 -4.5 41.4 30.5 61 61 A R X - 0 0 22 -3,-1.2 3,-1.3 1,-0.1 -1,-0.1 -0.915 62.5-159.6-116.1 120.9 -4.6 37.7 29.9 62 62 A E T 3 S+ 0 0 151 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.847 93.8 55.0 -58.1 -36.9 -6.2 36.2 26.8 63 63 A N T 3 S+ 0 0 75 -38,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.563 95.3 79.8 -76.7 -11.4 -6.7 32.8 28.5 64 64 A V < - 0 0 1 -3,-1.3 2,-0.6 -6,-0.3 -35,-0.2 -0.839 67.7-146.6-106.5 131.7 -8.6 34.2 31.5 65 65 A T E -c 29 0A 27 -37,-3.1 -35,-1.6 -2,-0.5 2,-0.4 -0.867 23.4-141.9 -92.0 119.9 -12.3 35.0 31.4 66 66 A S E -ce 30 97A 0 30,-3.5 32,-3.2 -2,-0.6 2,-0.4 -0.742 17.9-164.3 -86.8 133.6 -12.8 38.0 33.7 67 67 A I E -ce 31 98A 0 -37,-3.2 -35,-1.9 -2,-0.4 2,-0.7 -0.959 20.1-159.8-125.2 133.6 -15.9 38.1 35.9 68 68 A I E -ce 32 99A 0 30,-1.7 32,-2.1 -2,-0.4 35,-0.2 -0.940 32.6-149.8-107.4 100.0 -17.7 40.9 37.8 69 69 A G > - 0 0 0 -37,-2.7 3,-1.8 -2,-0.7 183,-0.2 -0.191 26.1 -95.3 -72.2 166.9 -19.8 38.9 40.3 70 70 A N T 3 S+ 0 0 37 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.670 117.3 66.4 -53.7 -28.5 -23.2 39.9 41.8 71 71 A G T 3 S+ 0 0 6 180,-2.0 -36,-0.5 -39,-0.2 -1,-0.3 0.791 83.5 96.2 -67.1 -22.7 -21.6 41.2 45.0 72 72 A V S < S- 0 0 0 -3,-1.8 2,-0.7 179,-0.4 -36,-0.2 -0.363 75.1-135.5 -72.4 135.6 -20.0 44.0 43.0 73 73 A V - 0 0 0 -38,-2.7 2,-0.6 30,-0.2 -36,-0.2 -0.903 30.8-146.9 -91.0 113.5 -21.8 47.4 42.8 74 74 A L B -k 105 0C 0 30,-3.1 32,-2.5 -2,-0.7 3,-0.1 -0.740 16.9-163.9 -98.1 123.1 -21.6 48.2 39.0 75 75 A S > - 0 0 11 -2,-0.6 4,-2.6 30,-0.2 5,-0.2 -0.848 8.5-157.7 -98.5 111.3 -21.3 51.7 37.6 76 76 A P H > S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.919 96.3 50.7 -56.3 -37.4 -22.1 51.7 33.8 77 77 A A H > S+ 0 0 68 29,-0.4 4,-2.4 1,-0.2 5,-0.2 0.960 109.9 48.3 -64.7 -48.9 -20.0 54.9 33.4 78 78 A A H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 113.5 48.9 -57.7 -43.5 -17.0 53.5 35.2 79 79 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 3,-0.2 0.982 111.7 46.2 -60.5 -58.3 -17.2 50.3 33.1 80 80 A M H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.840 112.6 52.5 -54.9 -37.6 -17.5 52.1 29.7 81 81 A K H X S+ 0 0 120 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.914 114.1 40.8 -66.0 -45.6 -14.6 54.4 30.7 82 82 A E H X S+ 0 0 10 -4,-2.1 4,-2.5 -3,-0.2 5,-0.2 0.900 112.5 55.2 -70.4 -41.3 -12.3 51.6 31.6 83 83 A M H X S+ 0 0 3 -4,-3.0 4,-3.3 2,-0.2 10,-0.3 0.950 109.1 46.8 -55.4 -54.0 -13.3 49.4 28.6 84 84 A K H X S+ 0 0 113 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.964 112.3 49.7 -53.8 -56.6 -12.5 52.2 26.1 85 85 A E H X S+ 0 0 92 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.881 115.7 43.2 -50.5 -45.1 -9.1 53.0 27.7 86 86 A L H ><>S+ 0 0 7 -4,-2.5 5,-2.6 2,-0.2 3,-0.8 0.896 113.0 52.0 -68.7 -43.5 -8.2 49.3 27.7 87 87 A E H ><5S+ 0 0 51 -4,-3.3 3,-2.4 1,-0.3 -2,-0.2 0.936 105.0 55.8 -59.1 -44.6 -9.5 48.7 24.2 88 88 A D H 3<5S+ 0 0 141 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.696 105.4 53.9 -61.5 -19.8 -7.5 51.6 22.9 89 89 A R T <<5S- 0 0 91 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.060 129.4 -96.8-102.2 20.3 -4.4 49.8 24.4 90 90 A G T < 5S+ 0 0 64 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.482 84.6 128.4 82.3 2.8 -5.2 46.7 22.5 91 91 A I < - 0 0 18 -5,-2.6 2,-1.6 -6,-0.1 -1,-0.2 -0.849 52.4-145.5 -94.9 116.0 -7.1 44.8 25.2 92 92 A P >> + 0 0 41 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.566 24.1 174.5 -82.0 80.6 -10.5 43.5 23.9 93 93 A V H >> S+ 0 0 0 -2,-1.6 3,-1.6 -10,-0.3 4,-1.5 0.924 73.8 57.9 -51.0 -57.6 -12.5 43.9 27.1 94 94 A R H 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.793 107.2 51.2 -42.8 -39.0 -15.9 42.9 25.5 95 95 A E H <4 S+ 0 0 153 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.750 120.2 30.1 -75.6 -27.4 -14.3 39.6 24.5 96 96 A R H << S+ 0 0 32 -3,-1.6 -30,-3.5 -4,-1.0 2,-0.4 0.347 100.8 84.5-117.6 11.0 -13.0 38.6 27.9 97 97 A L E < -e 66 0A 2 -4,-1.5 2,-0.3 -32,-0.2 -30,-0.2 -0.943 46.7-179.2-119.7 132.3 -15.3 40.2 30.5 98 98 A L E -e 67 0A 45 -32,-3.2 -30,-1.7 -2,-0.4 2,-0.3 -0.851 10.1-163.1-119.0 157.4 -18.5 38.7 31.8 99 99 A L E -ef 68 201A 0 101,-2.6 103,-2.4 -2,-0.3 2,-0.4 -0.991 19.6-108.6-146.5 154.8 -20.9 40.2 34.4 100 100 A S E > - f 0 202A 10 -32,-2.1 3,-1.2 -2,-0.3 48,-0.3 -0.651 8.7-149.4 -85.2 135.1 -23.7 39.4 36.7 101 101 A E T 3 S+ 0 0 88 101,-0.6 48,-2.6 -2,-0.4 49,-0.2 0.587 99.7 66.2 -71.9 -11.1 -27.3 40.5 36.1 102 102 A A T 3 S+ 0 0 18 46,-0.2 -1,-0.2 45,-0.1 -33,-0.1 0.668 73.1 115.6 -82.9 -18.2 -27.5 40.6 39.9 103 103 A C < - 0 0 0 -3,-1.2 45,-2.2 -35,-0.2 46,-0.2 -0.258 69.8-124.3 -56.4 126.7 -25.0 43.4 40.3 104 104 A P B -L 147 0D 6 0, 0.0 -30,-3.1 0, 0.0 2,-0.5 -0.468 28.7-118.2 -68.1 152.7 -26.6 46.5 41.7 105 105 A L B -k 74 0C 2 41,-3.4 2,-0.6 -32,-0.2 41,-0.3 -0.823 13.4-148.2 -99.7 132.4 -26.1 49.6 39.5 106 106 A I + 0 0 3 -32,-2.5 -29,-0.4 -2,-0.5 2,-0.2 -0.870 27.3 175.6 -96.0 117.8 -24.2 52.7 40.6 107 107 A L >> - 0 0 9 -2,-0.6 3,-1.5 25,-0.1 4,-0.8 -0.728 46.9 -90.3-116.4 170.6 -25.8 55.8 38.9 108 108 A D H >> S+ 0 0 74 1,-0.3 4,-1.8 -2,-0.2 3,-1.0 0.834 121.6 61.4 -49.9 -40.2 -25.1 59.6 39.3 109 109 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.864 97.8 59.8 -58.9 -29.0 -27.6 60.1 42.1 110 110 A H H <> S+ 0 0 1 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.839 105.2 47.9 -66.6 -34.4 -25.6 57.6 44.2 111 111 A V H < S+ 0 0 137 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.954 109.9 53.1 -63.1 -48.3 -20.6 66.7 53.8 120 120 A A H 3< S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 101.4 59.0 -57.1 -33.4 -23.4 66.2 56.4 121 121 A R T >< S- 0 0 94 -4,-1.7 3,-2.9 1,-0.2 -1,-0.3 0.511 88.4-171.5 -75.1 -3.2 -21.0 64.2 58.7 122 122 A G G X - 0 0 44 -3,-2.1 3,-1.5 1,-0.3 -1,-0.2 -0.171 67.7 -4.3 49.8-129.8 -18.8 67.3 58.8 123 123 A A G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.475 130.3 66.8 -72.9 -3.9 -15.5 66.5 60.5 124 124 A K G < S+ 0 0 148 -3,-2.9 -1,-0.3 -6,-0.1 -2,-0.2 0.178 74.6 144.3 -99.9 16.0 -16.7 63.0 61.3 125 125 A A < - 0 0 28 -3,-1.5 150,-0.2 1,-0.1 -7,-0.1 -0.208 54.5-134.0 -55.2 141.6 -16.7 62.1 57.5 126 126 A I - 0 0 29 148,-0.1 149,-1.7 110,-0.1 -1,-0.1 0.814 32.3-125.0 -69.7 -27.6 -15.7 58.6 56.6 127 127 A G - 0 0 20 147,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.835 43.6-179.9 81.4 38.2 -13.4 59.8 53.8 128 128 A T - 0 0 46 -14,-0.1 -1,-0.1 1,-0.1 146,-0.1 -0.228 41.6-106.7 -66.7 165.5 -15.1 57.6 51.3 129 129 A T - 0 0 28 1,-0.1 -1,-0.1 145,-0.0 145,-0.0 0.483 43.6-122.2 -73.4 -4.8 -13.9 57.6 47.6 130 130 A G S S+ 0 0 19 -16,-0.1 -15,-0.1 1,-0.1 -1,-0.1 0.845 78.1 120.7 64.5 36.7 -17.0 59.6 46.5 131 131 A R S S- 0 0 75 -17,-0.1 -20,-0.2 -21,-0.1 -94,-0.2 0.264 83.8-110.4-110.2 0.3 -18.0 56.9 44.0 132 132 A G S > S+ 0 0 0 -22,-0.2 4,-2.0 -21,-0.2 5,-0.2 0.610 73.4 136.7 78.6 14.1 -21.5 56.1 45.4 133 133 A I H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.965 70.8 48.3 -54.6 -58.0 -20.5 52.7 46.7 134 134 A G H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 112.3 46.3 -49.3 -58.3 -22.3 53.1 50.0 135 135 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.831 108.8 56.9 -58.8 -33.0 -25.6 54.4 48.5 136 136 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.950 109.5 44.9 -64.2 -45.8 -25.6 51.7 45.9 137 137 A Y H X S+ 0 0 21 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.917 110.4 54.6 -63.3 -40.9 -25.5 49.0 48.7 138 138 A E H X S+ 0 0 77 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.968 111.2 45.3 -56.1 -52.3 -28.1 50.8 50.7 139 139 A D H X>S+ 0 0 3 -4,-2.6 6,-2.0 2,-0.2 5,-1.7 0.893 112.2 52.4 -59.7 -39.9 -30.4 50.7 47.7 140 140 A K H ><5S+ 0 0 89 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.981 114.4 41.4 -56.7 -56.3 -29.5 47.1 47.1 141 141 A V H 3<5S+ 0 0 113 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.810 110.7 55.5 -63.0 -36.1 -30.4 46.2 50.7 142 142 A A H 3<5S- 0 0 31 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.767 109.1-127.7 -68.0 -24.7 -33.5 48.3 50.8 143 143 A R T <<5S+ 0 0 223 -4,-1.3 -3,-0.2 -3,-0.7 -2,-0.1 0.741 87.5 96.1 81.6 29.2 -34.6 46.3 47.7 144 144 A R < + 0 0 98 -5,-1.7 -4,-0.2 -6,-0.2 -5,-0.1 0.413 55.6 108.6-121.6 -12.1 -35.4 49.4 45.7 145 145 A G S S- 0 0 19 -6,-2.0 2,-0.3 -7,-0.1 -39,-0.1 -0.316 70.7-111.6 -71.5 157.9 -32.1 49.6 43.8 146 146 A L - 0 0 6 -41,-0.3 -41,-3.4 -2,-0.0 2,-0.3 -0.662 30.6-162.2 -90.5 138.7 -31.6 48.9 40.1 147 147 A R B >> -L 104 0D 121 -2,-0.3 3,-2.2 -43,-0.3 4,-0.7 -0.781 35.6-102.6-116.5 164.1 -29.7 45.9 39.0 148 148 A V G >4 S+ 0 0 0 -45,-2.2 3,-1.3 -48,-0.3 4,-0.2 0.883 118.8 62.9 -51.6 -39.7 -28.1 44.9 35.7 149 149 A G G >4 S+ 0 0 27 -48,-2.6 3,-0.9 1,-0.3 -1,-0.3 0.678 90.8 66.2 -63.6 -16.8 -31.0 42.6 35.0 150 150 A D G X4 S+ 0 0 33 -3,-2.2 3,-1.5 1,-0.2 7,-0.3 0.839 86.2 69.6 -74.4 -28.8 -33.4 45.5 35.0 151 151 A L G << S+ 0 0 3 -3,-1.3 3,-0.2 -4,-0.7 -1,-0.2 0.571 77.3 84.7 -63.6 -9.0 -31.8 46.9 31.8 152 152 A F G < S+ 0 0 110 -3,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.496 94.0 42.1 -74.1 -5.3 -33.3 44.0 29.9 153 153 A D S <> S- 0 0 65 -3,-1.5 4,-2.5 1,-0.1 -1,-0.3 -0.805 71.2-170.4-140.6 92.8 -36.6 45.8 29.5 154 154 A K H > S+ 0 0 81 -2,-0.3 4,-1.7 -3,-0.2 5,-0.1 0.778 83.7 56.1 -58.3 -26.6 -35.7 49.4 28.6 155 155 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.993 112.4 36.6 -70.7 -60.6 -39.4 50.4 29.1 156 156 A T H > S+ 0 0 46 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.832 113.2 60.9 -62.8 -30.9 -39.9 49.2 32.7 157 157 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 -7,-0.3 -1,-0.2 0.952 103.1 50.3 -59.7 -49.8 -36.3 50.3 33.5 158 158 A A H X S+ 0 0 20 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.911 112.7 47.0 -53.6 -46.1 -37.2 53.9 32.6 159 159 A E H X S+ 0 0 116 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.965 113.5 47.3 -59.3 -55.1 -40.3 53.6 34.9 160 160 A K H X S+ 0 0 79 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.864 111.9 51.4 -54.1 -42.4 -38.3 52.1 37.8 161 161 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 5,-0.3 0.897 105.6 54.2 -65.1 -42.3 -35.6 54.7 37.4 162 162 A K H X S+ 0 0 53 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.932 110.2 48.8 -57.9 -44.5 -38.1 57.6 37.5 163 163 A E H X S+ 0 0 130 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.964 113.6 43.8 -59.0 -57.0 -39.5 56.2 40.8 164 164 A V H X S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.915 116.3 46.0 -58.5 -46.2 -36.1 55.7 42.5 165 165 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.834 109.9 55.1 -68.0 -29.9 -34.7 59.1 41.4 166 166 A E H X S+ 0 0 112 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.962 110.8 47.9 -64.2 -45.0 -38.0 60.7 42.4 167 167 A Y H X S+ 0 0 118 -4,-2.7 4,-1.2 1,-0.2 3,-0.4 0.966 116.9 38.8 -56.7 -63.3 -37.3 59.1 45.8 168 168 A H H X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.834 111.1 59.7 -60.1 -37.5 -33.7 60.2 46.2 169 169 A N H X S+ 0 0 27 -4,-2.7 4,-2.6 -5,-0.2 5,-0.4 0.867 98.6 57.3 -62.4 -36.6 -34.3 63.7 44.6 170 170 A F H X>S+ 0 0 146 -4,-1.7 4,-2.9 -3,-0.4 5,-0.6 0.982 113.2 41.2 -56.3 -53.5 -36.8 64.7 47.3 171 171 A Q H X>S+ 0 0 38 -4,-1.2 5,-2.8 1,-0.2 4,-1.2 0.898 113.2 52.7 -61.1 -48.1 -34.1 64.0 49.9 172 172 A L H <5S+ 0 0 1 -4,-2.8 6,-3.7 3,-0.2 -1,-0.2 0.878 122.4 29.8 -56.7 -41.8 -31.3 65.6 48.0 173 173 A V H X5S+ 0 0 60 -4,-2.6 4,-0.6 4,-0.3 -2,-0.2 0.950 130.0 32.6 -82.8 -58.0 -33.2 68.8 47.5 174 174 A N H <5S+ 0 0 78 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.874 131.9 26.7 -71.3 -41.6 -35.5 69.1 50.5 175 175 A Y T < - 0 0 99 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.575 14.1-150.0 -72.7 125.6 -31.6 65.0 36.4 183 183 A Y H > S+ 0 0 44 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.919 93.9 53.5 -57.3 -49.7 -33.6 61.9 35.5 184 184 A Q H > S+ 0 0 90 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.881 106.5 51.2 -57.5 -42.9 -33.3 62.3 31.7 185 185 A K H > S+ 0 0 104 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.941 112.4 46.6 -62.2 -44.8 -29.5 62.6 31.8 186 186 A V H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.917 115.0 47.0 -61.2 -46.1 -29.2 59.4 33.8 187 187 A L H X S+ 0 0 21 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.909 114.6 47.3 -61.7 -43.8 -31.7 57.6 31.5 188 188 A D H X S+ 0 0 87 -4,-3.4 4,-1.4 -5,-0.2 -2,-0.2 0.977 114.0 44.7 -63.7 -54.6 -29.9 58.9 28.4 189 189 A D H < S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.7 47.5 -58.8 -34.5 -26.3 58.0 29.6 190 190 A T H >X S+ 0 0 7 -4,-2.1 3,-1.9 -5,-0.3 4,-1.0 0.945 109.4 50.9 -74.7 -45.3 -27.6 54.6 30.8 191 191 A M H 3< S+ 0 0 46 -4,-2.6 4,-0.3 1,-0.3 -2,-0.2 0.708 100.7 66.6 -64.1 -19.2 -29.5 53.7 27.6 192 192 A A T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.558 112.5 29.7 -78.6 -7.1 -26.4 54.6 25.6 193 193 A V T <> S+ 0 0 22 -3,-1.9 4,-2.4 -4,-0.1 3,-0.4 0.466 87.6 102.0-129.8 -5.3 -24.5 51.6 27.0 194 194 A A H X S+ 0 0 0 -4,-1.0 4,-3.1 1,-0.2 5,-0.2 0.827 80.7 51.8 -50.7 -43.7 -27.2 49.0 27.8 195 195 A D H > S+ 0 0 104 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.896 112.6 44.8 -66.5 -39.1 -26.5 46.8 24.7 196 196 A I H >> S+ 0 0 44 -3,-0.4 3,-0.8 2,-0.2 4,-0.7 0.988 117.9 44.3 -65.4 -53.9 -22.8 46.5 25.4 197 197 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.3 4,-0.4 0.889 112.6 50.6 -59.4 -44.3 -23.3 45.9 29.1 198 198 A T H >< S+ 0 0 30 -4,-3.1 3,-0.8 -5,-0.2 -1,-0.3 0.764 101.2 65.4 -67.8 -21.8 -26.2 43.4 28.6 199 199 A S H << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.726 99.5 50.7 -72.5 -21.8 -24.0 41.5 26.1 200 200 A M T << S+ 0 0 3 -3,-1.1 -101,-2.6 -4,-0.7 -1,-0.2 0.475 82.7 123.5 -92.6 -5.1 -21.5 40.5 28.8 201 201 A V E < +f 99 0A 35 -3,-0.8 2,-0.3 -4,-0.4 -101,-0.2 -0.341 32.5 165.4 -61.3 135.4 -24.2 39.2 31.2 202 202 A V E -f 100 0A 37 -103,-2.4 2,-1.5 -2,-0.1 -101,-0.6 -0.941 49.9-103.3-146.3 158.5 -23.8 35.5 32.3 203 203 A D > - 0 0 86 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.752 44.7-175.5 -83.4 87.3 -25.2 33.3 35.1 204 204 A V H > S+ 0 0 2 -2,-1.5 4,-3.5 2,-0.2 5,-0.2 0.911 74.6 48.4 -57.8 -46.1 -22.1 33.6 37.2 205 205 A S H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 115.0 45.7 -64.5 -43.1 -23.0 31.2 40.0 206 206 A D H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 114.2 50.1 -64.2 -38.2 -24.1 28.5 37.5 207 207 A L H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.956 111.1 48.2 -62.9 -50.1 -20.9 29.2 35.6 208 208 A L H X S+ 0 0 3 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.863 108.3 54.3 -61.0 -36.1 -18.8 28.9 38.7 209 209 A D H X S+ 0 0 51 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.966 110.0 47.2 -62.6 -47.4 -20.5 25.6 39.7 210 210 A Q H X S+ 0 0 74 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.914 111.4 50.2 -60.8 -42.5 -19.7 24.1 36.3 211 211 A A H X>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-2.0 0.904 109.7 52.4 -60.1 -41.7 -16.1 25.3 36.5 212 212 A R H <5S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.957 108.9 49.1 -58.9 -51.4 -15.8 23.7 40.0 213 213 A Q H <5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.1 47.1 -61.3 -29.0 -17.1 20.4 38.7 214 214 A R H <5S- 0 0 146 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.770 113.5-117.7 -81.1 -29.8 -14.6 20.5 35.8 215 215 A G T <5 + 0 0 28 -4,-2.0 -3,-0.2 -3,-0.3 -2,-0.1 0.702 50.7 169.6 98.6 26.5 -11.7 21.4 38.0 216 216 A D < - 0 0 37 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.415 40.8-110.6 -72.5 144.4 -10.9 24.8 36.5 217 217 A F - 0 0 45 -191,-0.3 -189,-2.9 -2,-0.1 -188,-1.4 -0.662 42.0-172.5 -74.5 122.5 -8.5 27.1 38.2 218 218 A V E -ad 3 29A 2 -216,-2.9 -214,-2.4 -2,-0.5 2,-0.5 -0.913 12.9-159.7-121.8 143.1 -10.5 30.0 39.5 219 219 A M E -ad 4 30A 0 -190,-1.6 -188,-3.0 -2,-0.4 2,-0.5 -0.988 3.1-159.1-124.5 124.4 -9.2 33.2 41.1 220 220 A F E -ad 5 31A 0 -216,-2.3 -214,-2.5 -2,-0.5 2,-0.6 -0.897 13.7-152.4-101.9 124.7 -11.4 35.4 43.3 221 221 A E E -ad 6 32A 0 -190,-4.5 -188,-0.7 -2,-0.5 -187,-0.4 -0.905 7.0-148.8-105.6 117.0 -10.0 38.9 43.5 222 222 A G - 0 0 0 -216,-3.2 2,-0.3 -2,-0.6 -206,-0.1 -0.468 2.3-150.8 -84.6 148.0 -10.8 41.0 46.6 223 223 A A - 0 0 1 -2,-0.2 -215,-0.2 -184,-0.1 -211,-0.1 -0.804 64.4 -1.1-110.7 160.0 -11.2 44.7 46.7 224 224 A Q S S- 0 0 19 -2,-0.3 -216,-0.4 -213,-0.1 -212,-0.3 -0.149 91.2 -86.5 54.2-155.2 -10.4 46.8 49.9 225 225 A G > - 0 0 0 -214,-0.2 3,-1.8 -213,-0.1 18,-0.2 -0.947 32.0 -88.9-146.5 168.4 -9.2 45.0 53.0 226 226 A T G > S+ 0 0 0 -218,-2.8 3,-2.1 -2,-0.3 17,-0.2 0.837 117.3 52.1 -43.7 -52.2 -10.3 43.1 56.2 227 227 A L G 3 S+ 0 0 3 -217,-2.5 7,-2.4 1,-0.3 -1,-0.3 0.495 103.5 60.6 -73.6 1.9 -10.5 46.0 58.6 228 228 A L G < S+ 0 0 28 -3,-1.8 11,-3.2 -218,-0.4 -1,-0.3 0.294 77.3 134.2-103.6 4.0 -12.7 47.9 56.2 229 229 A D <> - 0 0 0 -3,-2.1 4,-1.4 9,-0.2 13,-0.2 -0.249 62.1-131.7 -56.3 138.5 -15.3 45.1 56.4 230 230 A I T 4 S+ 0 0 48 11,-1.2 -1,-0.1 2,-0.2 12,-0.1 0.833 104.8 25.0 -61.3 -33.3 -18.9 46.4 56.8 231 231 A D T 4 S+ 0 0 111 10,-0.1 4,-0.2 3,-0.0 -1,-0.1 0.904 136.0 27.3 -93.8 -58.5 -19.4 43.9 59.7 232 232 A H T 4 S+ 0 0 94 -6,-0.1 -2,-0.2 2,-0.1 -3,-0.1 0.495 102.0 94.9 -86.8 -9.0 -16.0 43.2 61.1 233 233 A G S < S- 0 0 2 -4,-1.4 2,-3.2 6,-0.1 -5,-0.2 -0.127 97.6 -73.5 -80.9-176.9 -14.2 46.4 60.3 234 234 A T S > S- 0 0 0 -7,-2.4 3,-1.7 3,-0.3 127,-0.2 -0.268 77.7-126.8 -75.6 61.6 -13.5 49.6 62.2 235 235 A Y T 3 S+ 0 0 133 -2,-3.2 127,-3.3 1,-0.3 128,-0.4 -0.131 82.0 18.1 -53.0 142.9 -17.1 50.6 61.8 236 236 A P T 3 S+ 0 0 53 0, 0.0 2,-2.3 0, 0.0 -1,-0.3 -0.981 119.2 67.2 -85.0 3.1 -18.4 53.1 60.7 237 237 A Y S < S+ 0 0 38 -3,-1.7 -3,-0.3 -4,-0.1 2,-0.2 -0.455 89.6 93.9 -83.6 68.6 -15.0 53.9 59.1 238 238 A V S S- 0 0 15 -2,-2.3 2,-0.3 -5,-0.1 -9,-0.2 -0.783 80.2 -93.5-142.9-178.5 -15.4 51.0 56.7 239 239 A T - 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