==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-00 1G6T . COMPND 2 MOLECULE: EPSP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHONBRUNN,S.ESCHENBURG,W.SHUTTLEWORTH,J.V.SCHLOSS, . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 3 1 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 3 7 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 . 1 1 5 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 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 M 0 0 178 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.5 81.9 -1.1 34.8 2 2 A E + 0 0 106 402,-0.1 403,-3.0 2,-0.0 2,-0.3 -0.401 360.0 168.6 -73.7 146.8 81.4 2.3 36.4 3 3 A S E -A 404 0A 63 401,-0.3 2,-0.4 402,-0.2 401,-0.2 -0.985 23.9-150.6-151.5 159.8 79.6 2.5 39.8 4 4 A L E -A 403 0A 43 399,-2.0 399,-3.3 -2,-0.3 2,-0.5 -1.000 11.1-151.5-132.1 131.4 79.0 5.0 42.6 5 5 A T E -A 402 0A 82 -2,-0.4 2,-0.6 397,-0.3 397,-0.2 -0.903 9.0-154.0-106.4 128.3 78.6 4.1 46.2 6 6 A L E -A 401 0A 25 395,-3.1 395,-1.4 -2,-0.5 3,-0.1 -0.872 9.5-142.6-101.3 125.7 76.4 6.4 48.4 7 7 A Q - 0 0 158 -2,-0.6 392,-0.1 393,-0.2 388,-0.0 -0.451 42.8 -73.6 -80.6 157.1 77.1 6.5 52.1 8 8 A P - 0 0 63 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.205 45.2-142.5 -51.0 137.5 74.2 6.8 54.5 9 9 A I - 0 0 16 386,-2.8 417,-0.1 388,-0.3 3,-0.1 -0.922 8.8-163.2-107.5 116.1 72.7 10.3 54.6 10 10 A A - 0 0 56 -2,-0.6 2,-0.3 415,-0.6 416,-0.2 0.833 69.2 -9.7 -70.3 -33.5 71.7 11.4 58.1 11 11 A R E -C 425 0B 81 414,-1.4 414,-3.1 2,-0.1 2,-0.4 -0.979 56.7-143.5-161.5 149.2 69.4 14.3 57.0 12 12 A V E +C 424 0B 0 244,-1.7 246,-0.4 -2,-0.3 2,-0.3 -0.974 31.3 149.3-119.9 144.7 68.5 16.3 54.0 13 13 A D + 0 0 57 410,-1.8 2,-0.3 -2,-0.4 247,-0.2 -0.895 28.0 66.3-168.4 137.6 67.8 20.0 54.1 14 14 A G E -d 260 0C 23 245,-2.5 247,-2.6 -2,-0.3 2,-0.4 -0.940 68.4 -66.8 145.8-168.4 68.3 22.8 51.6 15 15 A T E -d 261 0C 68 -2,-0.3 2,-0.4 245,-0.2 247,-0.2 -0.978 29.7-165.2-130.1 138.2 67.3 24.3 48.3 16 16 A I E -d 262 0C 0 245,-2.6 247,-2.7 -2,-0.4 2,-0.8 -0.991 15.3-144.8-124.4 128.8 67.8 23.0 44.8 17 17 A N E -d 263 0C 108 -2,-0.4 247,-0.1 245,-0.2 245,-0.1 -0.853 37.6-123.8 -91.5 112.0 67.4 25.1 41.7 18 18 A L - 0 0 8 245,-2.0 3,-0.1 -2,-0.8 225,-0.1 -0.182 10.2-118.4 -64.8 145.6 66.0 22.6 39.2 19 19 A P - 0 0 28 0, 0.0 223,-2.8 0, 0.0 26,-0.2 -0.377 54.1 -79.2 -70.9 160.7 67.5 21.7 35.9 20 20 A G B -G 241 0D 2 24,-0.4 2,-0.3 221,-0.3 221,-0.3 -0.206 52.5 -90.9 -64.5 156.9 65.1 22.5 33.0 21 21 A S > - 0 0 0 219,-2.9 4,-2.6 22,-0.2 24,-0.4 -0.495 25.2-153.0 -68.3 126.0 62.1 20.3 32.1 22 22 A K H > S+ 0 0 12 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.927 96.0 51.2 -63.3 -44.6 63.0 17.6 29.4 23 23 A S H > S+ 0 0 8 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.915 115.9 39.8 -62.1 -45.5 59.3 17.5 28.2 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.920 113.2 56.4 -70.3 -42.1 59.1 21.2 27.8 25 25 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.929 109.3 42.8 -57.1 -51.3 62.6 21.6 26.4 26 26 A N H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.856 115.5 49.0 -69.6 -32.1 62.2 19.2 23.5 27 27 A R H X S+ 0 0 9 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.939 112.7 48.8 -66.4 -46.3 58.7 20.4 22.5 28 28 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.867 110.4 51.5 -63.1 -37.5 60.0 24.1 22.6 29 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.943 112.2 43.9 -66.8 -44.2 63.0 23.3 20.5 30 30 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.928 116.6 46.6 -68.5 -41.0 61.0 21.5 17.7 31 31 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.913 111.5 51.7 -67.5 -38.9 58.3 24.2 17.7 32 32 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.876 109.9 50.8 -62.5 -35.5 61.0 27.0 17.7 33 33 A A H < S+ 0 0 0 -4,-2.0 45,-2.9 1,-0.2 -1,-0.2 0.859 114.3 42.6 -70.3 -34.2 62.6 25.2 14.7 34 34 A L H < S+ 0 0 4 -4,-1.9 46,-1.9 43,-0.2 197,-0.3 0.754 103.0 91.9 -81.2 -24.4 59.4 25.0 12.8 35 35 A A S < S- 0 0 0 -4,-2.1 44,-2.5 44,-0.2 2,-0.4 -0.055 79.2-111.9 -71.4 168.1 58.3 28.6 13.7 36 36 A H B S+h 232 0E 75 195,-1.8 197,-2.8 42,-0.2 42,-0.1 -0.855 80.9 20.5 -96.6 135.4 58.9 31.9 12.0 37 37 A G S S- 0 0 45 -2,-0.4 40,-2.0 40,-0.3 2,-0.5 -0.298 97.5 -54.9 100.7 175.2 61.2 34.2 13.8 38 38 A K E -I 76 0F 98 38,-0.2 2,-0.4 195,-0.1 197,-0.3 -0.796 45.2-163.0 -97.6 127.3 63.9 33.9 16.5 39 39 A T E -I 75 0F 0 36,-2.2 36,-3.0 -2,-0.5 2,-0.6 -0.923 4.5-159.2-109.3 135.2 63.1 32.2 19.7 40 40 A V E -Ij 74 236F 7 195,-2.4 197,-2.8 -2,-0.4 2,-0.4 -0.958 11.7-166.0-112.7 112.9 65.4 32.6 22.8 41 41 A L E -Ij 73 237F 0 32,-3.0 32,-2.5 -2,-0.6 2,-0.3 -0.834 3.8-168.9 -98.7 134.4 64.8 29.7 25.3 42 42 A T E + j 0 238F 46 195,-2.4 197,-2.8 -2,-0.4 30,-0.2 -0.888 68.3 26.7-120.5 158.1 66.2 30.1 28.8 43 43 A N S S+ 0 0 53 28,-0.4 29,-0.2 -2,-0.3 -22,-0.2 0.751 81.5 168.4 61.7 26.7 66.5 27.4 31.5 44 44 A L - 0 0 1 27,-2.7 -24,-0.4 -3,-0.2 2,-0.3 -0.382 39.1-109.7 -63.7 144.4 66.7 24.8 28.6 45 45 A L - 0 0 5 -24,-0.4 2,-0.7 -26,-0.2 -1,-0.1 -0.638 19.9-151.5 -79.5 136.8 67.8 21.4 30.0 46 46 A D + 0 0 55 -2,-0.3 2,-0.3 366,-0.1 25,-0.1 -0.931 50.0 118.7-105.0 104.9 71.3 20.2 29.0 47 47 A S S > S- 0 0 2 -2,-0.7 4,-2.7 366,-0.1 3,-0.2 -0.942 77.9 -89.0-155.4 172.2 70.9 16.4 29.0 48 48 A D H > S+ 0 0 64 362,-2.8 4,-2.5 -2,-0.3 5,-0.2 0.890 122.0 52.7 -57.7 -44.4 71.2 13.5 26.5 49 49 A D H > S+ 0 0 2 362,-1.9 4,-1.3 361,-0.3 -1,-0.2 0.864 113.8 42.9 -63.5 -35.9 67.6 13.7 25.3 50 50 A V H > S+ 0 0 0 361,-0.3 4,-3.0 -3,-0.2 -2,-0.2 0.901 110.9 55.4 -75.6 -37.3 67.8 17.4 24.6 51 51 A R H X S+ 0 0 102 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.908 105.4 53.1 -61.6 -39.4 71.3 17.0 23.0 52 52 A H H X S+ 0 0 29 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.917 110.4 47.3 -63.1 -41.0 69.8 14.4 20.6 53 53 A M H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.948 112.5 49.1 -62.6 -46.4 67.1 16.9 19.6 54 54 A L H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.909 111.3 50.0 -60.1 -40.6 69.7 19.7 19.1 55 55 A N H X S+ 0 0 79 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.856 110.0 50.3 -65.6 -35.7 71.9 17.4 17.0 56 56 A A H X S+ 0 0 4 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.917 109.8 50.2 -67.9 -42.4 68.9 16.4 14.8 57 57 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.4 0.913 110.4 50.7 -63.0 -41.2 68.0 20.1 14.3 58 58 A T H ><5S+ 0 0 78 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.944 110.6 49.0 -59.0 -47.6 71.7 20.8 13.3 59 59 A A H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.7 54.6 -62.5 -29.9 71.6 17.9 10.8 60 60 A L T 3<5S- 0 0 15 -4,-1.9 23,-0.5 -5,-0.1 -1,-0.3 0.486 124.3-103.3 -82.3 -4.7 68.3 19.2 9.3 61 61 A G T < 5 + 0 0 57 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.587 68.1 150.2 96.5 11.7 69.9 22.6 8.7 62 62 A V < - 0 0 12 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.636 38.1-137.8 -80.5 136.3 68.4 24.6 11.6 63 63 A S E +K 76 0F 77 13,-0.5 13,-2.7 -2,-0.3 2,-0.3 -0.789 37.7 140.3 -96.2 134.0 70.6 27.4 12.8 64 64 A Y E -K 75 0F 48 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.974 34.8-139.0-162.2 162.9 71.0 28.1 16.6 65 65 A T E -K 74 0F 83 9,-1.8 9,-2.1 -2,-0.3 2,-0.4 -0.930 13.0-151.3-126.9 152.6 73.5 29.1 19.2 66 66 A L E -K 73 0F 48 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.955 17.4-121.6-124.1 145.0 73.9 27.8 22.8 67 67 A S > - 0 0 43 5,-2.3 3,-1.5 -2,-0.4 5,-0.0 -0.232 43.7 -91.4 -73.0 172.0 75.3 29.6 25.8 68 68 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.847 129.1 42.3 -56.4 -37.5 78.3 28.1 27.7 69 69 A D T 3 S- 0 0 99 1,-0.0 -1,-0.3 3,-0.0 -23,-0.1 0.441 109.1-124.1 -92.5 5.2 76.2 26.0 30.0 70 70 A R S < S+ 0 0 51 -3,-1.5 -2,-0.1 2,-0.2 3,-0.0 0.631 84.3 108.3 62.3 22.5 73.8 25.0 27.2 71 71 A T + 0 0 43 1,-0.1 -27,-2.7 -25,-0.1 2,-0.5 0.456 67.4 62.1-104.2 -5.4 70.8 26.3 29.1 72 72 A R + 0 0 113 -30,-0.2 -5,-2.3 -29,-0.2 2,-0.4 -0.987 65.4 179.1-120.5 128.2 70.2 29.4 26.8 73 73 A C E -IK 41 66F 0 -32,-2.5 -32,-3.0 -2,-0.5 2,-0.6 -0.993 17.9-161.4-133.8 127.1 69.4 28.7 23.1 74 74 A E E -IK 40 65F 53 -9,-2.1 -9,-1.8 -2,-0.4 2,-0.5 -0.950 19.9-166.8-109.0 113.7 68.7 31.2 20.4 75 75 A I E -IK 39 64F 0 -36,-3.0 -36,-2.2 -2,-0.6 2,-0.8 -0.874 18.5-144.4-107.7 128.6 67.0 29.4 17.5 76 76 A I E -IK 38 63F 90 -13,-2.7 -13,-0.5 -2,-0.5 -38,-0.2 -0.813 32.7-128.9 -87.1 109.2 66.5 30.9 14.0 77 77 A G - 0 0 15 -40,-2.0 -40,-0.3 -2,-0.8 -44,-0.2 -0.273 3.3-140.7 -62.0 145.3 63.1 29.5 13.0 78 78 A N - 0 0 84 -45,-2.9 -42,-0.2 -46,-0.2 -44,-0.2 0.654 30.2-131.5 -77.2 -18.0 62.8 27.7 9.7 79 79 A G S S+ 0 0 28 -44,-2.5 -44,-0.2 -46,-0.2 -43,-0.2 0.917 75.2 8.0 66.3 43.2 59.4 29.2 9.0 80 80 A G S S- 0 0 13 -46,-1.9 -2,-0.2 -47,-0.2 -1,-0.1 -0.815 108.8 -17.9 142.1 176.4 57.8 25.9 8.0 81 81 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.113 66.1-116.6 -50.3 142.8 58.3 22.1 7.9 82 82 A L - 0 0 5 23,-0.1 2,-0.4 27,-0.0 26,-0.1 -0.505 33.7-157.8 -82.6 153.4 61.9 20.9 8.1 83 83 A H + 0 0 92 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.984 25.2 148.6-143.2 145.3 63.5 19.1 5.2 84 84 A A - 0 0 16 -2,-0.4 28,-1.9 26,-0.2 2,-0.2 -0.949 15.5-170.0-161.2 153.2 66.2 16.7 4.3 85 85 A E > + 0 0 144 -2,-0.3 3,-0.6 26,-0.2 69,-0.0 -0.665 54.8 74.3-131.8-169.9 66.6 14.0 1.6 86 86 A G T 3 S- 0 0 68 1,-0.2 3,-0.1 -2,-0.2 27,-0.1 0.706 116.5 -74.7 73.7 20.8 69.1 11.2 0.8 87 87 A A T 3 - 0 0 34 25,-1.1 26,-0.3 1,-0.2 -1,-0.2 0.873 68.6-163.4 56.9 39.7 67.8 9.0 3.6 88 88 A L E < -l 113 0G 58 24,-1.2 26,-3.0 -3,-0.6 2,-0.5 -0.301 12.9-132.4 -53.9 129.6 69.7 11.3 6.1 89 89 A E E -l 114 0G 120 24,-0.2 2,-0.5 -3,-0.1 26,-0.2 -0.804 18.3-165.1 -95.6 125.9 70.0 9.3 9.3 90 90 A L E -l 115 0G 4 24,-3.1 26,-2.4 -2,-0.5 2,-0.7 -0.941 10.4-151.0-106.1 121.6 69.0 11.1 12.6 91 91 A F E +l 116 0G 96 -2,-0.5 26,-0.2 24,-0.2 -36,-0.1 -0.852 15.9 179.9 -95.7 120.0 70.3 9.2 15.7 92 92 A L > - 0 0 0 24,-2.9 3,-2.6 -2,-0.7 7,-0.3 0.125 21.4-146.4-112.6 22.6 67.9 9.9 18.6 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.1 -41,-0.1 -1,-0.3 -0.273 66.6 -42.7 51.5-124.8 69.5 7.9 21.4 94 94 A N T 3 S+ 0 0 5 23,-0.2 2,-1.0 26,-0.1 -1,-0.3 -0.088 95.7 138.5-124.1 38.1 66.6 6.7 23.6 95 95 A A X> - 0 0 0 -3,-2.6 4,-3.2 1,-0.2 3,-1.6 -0.691 29.6-178.3 -91.4 98.1 64.7 10.0 23.5 96 96 A G H 3> S+ 0 0 4 -2,-1.0 4,-2.6 1,-0.3 -1,-0.2 0.878 84.1 60.6 -59.0 -37.8 61.0 9.4 23.0 97 97 A T H 34 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.524 114.6 35.2 -71.6 -4.3 60.4 13.2 23.0 98 98 A A H <> S+ 0 0 0 -3,-1.6 4,-2.5 -6,-0.2 5,-0.3 0.685 119.4 48.8-106.1 -47.5 62.6 13.4 19.9 99 99 A M H X S+ 0 0 0 -4,-3.2 4,-1.8 -7,-0.3 -3,-0.2 0.935 115.3 40.0 -59.8 -51.6 61.7 10.2 18.2 100 100 A R H X S+ 0 0 4 -4,-2.6 4,-1.7 -5,-0.2 5,-0.2 0.975 119.4 43.8 -67.7 -51.7 57.9 10.4 18.4 101 101 A P H > S+ 0 0 5 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.907 116.5 46.4 -60.8 -40.9 57.5 14.1 17.6 102 102 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.853 105.0 61.1 -70.1 -30.4 60.1 14.0 14.7 103 103 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -3,-0.1 0.913 115.5 35.1 -61.8 -39.5 58.5 10.8 13.3 104 104 A A H >< S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.1 -2,-0.2 0.949 117.6 50.2 -76.3 -50.1 55.3 12.8 12.8 105 105 A A H >< S+ 0 0 5 -4,-3.0 3,-1.6 1,-0.3 -3,-0.2 0.871 104.8 56.1 -59.8 -40.8 56.8 16.2 12.0 106 106 A L T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 -22,-0.1 0.424 90.1 76.2 -74.6 3.6 59.1 15.1 9.2 107 107 A C T < S+ 0 0 0 -3,-2.0 50,-2.7 48,-0.1 2,-0.4 0.421 71.7 107.4 -87.3 -5.0 56.1 13.5 7.4 108 108 A L S < S- 0 0 3 -3,-1.6 2,-0.2 -4,-0.2 50,-0.1 -0.667 89.9 -20.1 -76.9 128.0 55.2 17.0 6.3 109 109 A G S S- 0 0 47 48,-0.4 47,-2.4 -2,-0.4 2,-0.4 -0.548 113.6 -37.3 77.1-144.1 55.9 17.6 2.6 110 110 A S S S+ 0 0 84 45,-0.2 2,-0.3 -2,-0.2 45,-0.2 -0.928 72.0 148.1-117.3 144.1 58.4 15.3 0.9 111 111 A N - 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0 0 133 -2,-0.4 12,-0.3 -5,-0.1 2,-0.3 -0.897 5.6-170.8-123.3 154.5 45.2 26.5 19.2 215 215 A I - 0 0 33 -2,-0.3 2,-0.8 10,-0.1 10,-0.2 -0.883 32.8 -96.5-137.2 169.5 43.0 23.5 18.4 216 216 A E E -Q 224 0H 104 8,-2.9 8,-2.8 -2,-0.3 2,-0.8 -0.819 33.3-164.1 -95.8 113.2 39.7 22.2 19.5 217 217 A N E -Q 223 0H 52 -2,-0.8 2,-1.2 6,-0.2 6,-0.2 -0.835 1.0-164.2 -98.3 103.5 39.9 19.6 22.3 218 218 A Q E >> S-Q 222 0H 63 4,-3.0 3,-2.3 -2,-0.8 4,-1.1 -0.716 70.2 -53.1 -91.7 90.7 36.7 17.6 22.6 219 219 A H T 34 S- 0 0 160 -2,-1.2 -1,-0.2 1,-0.3 4,-0.1 0.772 94.1 -72.3 48.6 37.7 37.0 15.9 26.1 220 220 A Y T 34 S+ 0 0 59 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.687 126.3 91.6 54.4 20.3 40.4 14.4 25.2 221 221 A Q T <4 S+ 0 0 134 -3,-2.3 -30,-2.7 1,-0.4 2,-0.3 0.598 92.5 18.2-113.9 -21.4 38.6 12.0 22.9 222 222 A Q E < -PQ 190 218H 61 -4,-1.1 -4,-3.0 -32,-0.2 2,-0.5 -0.980 62.8-159.5-152.6 137.7 38.7 14.0 19.6 223 223 A F E -PQ 189 217H 0 -34,-2.8 -34,-3.1 -2,-0.3 2,-0.6 -0.981 6.3-155.3-124.0 124.5 40.9 16.9 18.5 224 224 A V E -PQ 188 216H 40 -8,-2.8 -8,-2.9 -2,-0.5 2,-0.4 -0.876 16.2-176.6-103.5 119.9 39.9 19.2 15.7 225 225 A V E -P 187 0H 0 -38,-3.3 -38,-2.6 -2,-0.6 2,-0.4 -0.956 19.6-140.6-119.8 129.5 42.9 20.9 14.0 226 226 A K - 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0 0 0 -197,-2.8 3,-0.1 -2,-0.6 -2,-0.0 -0.613 25.3-116.4 -77.2 128.0 61.5 26.6 30.3 240 240 A E - 0 0 35 -2,-0.4 -219,-2.9 1,-0.1 25,-0.2 -0.297 31.7-100.0 -59.7 151.9 60.0 25.4 33.6 241 241 A G B -G 20 0D 0 23,-2.7 2,-0.7 -221,-0.3 -221,-0.3 -0.326 52.8 -89.6 -64.2 160.0 62.3 23.5 36.0 242 242 A D > - 0 0 2 -223,-2.8 4,-1.6 1,-0.2 -1,-0.1 -0.625 33.7-167.3 -83.7 114.8 61.7 19.7 35.7 243 243 A A H > S+ 0 0 3 -2,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.741 89.9 53.6 -70.9 -23.5 59.0 18.4 38.1 244 244 A S H >> S+ 0 0 5 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.926 109.3 48.6 -76.2 -43.4 60.0 14.8 37.5 245 245 A S H >> S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.854 107.2 59.0 -61.4 -30.5 63.7 15.6 38.5 246 246 A A H >X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 3,-0.6 0.804 86.9 76.8 -69.0 -26.3 62.2 17.4 41.5 247 247 A S H - 0 0 2 -2,-0.3 3,-1.8 26,-0.2 25,-0.2 -0.880 59.2 -55.7-161.6-164.2 55.3 26.0 41.5 267 267 A R T 3 S+ 0 0 137 23,-2.4 24,-0.1 26,-0.3 25,-0.1 0.752 128.0 51.1 -64.7 -21.6 51.6 25.8 41.8 268 268 A N T 3 S+ 0 0 107 23,-0.4 -1,-0.3 22,-0.2 23,-0.1 0.375 80.2 131.3 -95.5 3.4 51.0 27.2 38.3 269 269 A S < - 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