==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-08 3FJX . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR E.SCHONBRUNN . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 14.3 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 . 41 9.6 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 . 103 24.1 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 0 3 1 3 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 2 7 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 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,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.8 80.9 -1.1 34.6 2 2 A E + 0 0 111 402,-0.1 403,-2.8 2,-0.0 2,-0.3 -0.332 360.0 175.5 -69.3 156.5 80.9 2.3 36.4 3 3 A S E -A 404 0A 62 401,-0.3 2,-0.4 402,-0.2 401,-0.2 -0.982 21.8-149.3-157.1 161.3 79.1 2.5 39.7 4 4 A L E -A 403 0A 43 399,-2.1 399,-3.5 -2,-0.3 2,-0.5 -0.999 10.0-149.9-136.7 136.3 78.5 5.0 42.5 5 5 A T E -A 402 0A 80 -2,-0.4 2,-0.6 397,-0.3 397,-0.2 -0.936 8.9-154.0-110.9 126.2 78.1 4.2 46.2 6 6 A L E -A 401 0A 26 395,-3.0 395,-1.5 -2,-0.5 3,-0.1 -0.878 10.9-141.8-100.8 122.5 75.9 6.5 48.3 7 7 A Q - 0 0 158 -2,-0.6 392,-0.1 393,-0.2 388,-0.0 -0.419 43.7 -73.4 -76.8 158.1 76.7 6.6 52.0 8 8 A P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.216 44.4-140.6 -52.7 140.0 73.7 6.8 54.4 9 9 A I - 0 0 15 386,-3.0 417,-0.1 388,-0.3 3,-0.1 -0.934 10.3-164.8-108.9 114.0 72.0 10.2 54.5 10 10 A A - 0 0 58 -2,-0.6 2,-0.3 415,-0.6 416,-0.2 0.811 69.9 -11.7 -69.6 -31.3 71.0 11.2 58.0 11 11 A R E -C 425 0B 96 414,-1.4 414,-3.3 2,-0.1 2,-0.4 -0.979 57.8-141.2-165.2 150.5 68.7 14.1 56.9 12 12 A V E +C 424 0B 0 244,-1.9 246,-0.5 -2,-0.3 2,-0.3 -0.977 31.4 147.8-122.6 142.5 67.8 16.1 53.8 13 13 A D + 0 0 53 410,-2.2 2,-0.3 -2,-0.4 247,-0.2 -0.912 26.8 66.7-167.5 139.9 67.0 19.8 53.9 14 14 A G E -d 260 0C 24 245,-2.4 247,-2.6 -2,-0.3 2,-0.4 -0.949 68.1 -63.9 145.6-164.8 67.5 22.6 51.4 15 15 A T E -d 261 0C 72 -2,-0.3 2,-0.5 245,-0.2 247,-0.2 -0.986 30.2-163.2-132.0 138.4 66.5 24.1 48.1 16 16 A I E -d 262 0C 1 245,-2.8 247,-2.8 -2,-0.4 2,-0.9 -0.984 13.9-146.9-122.9 126.8 67.0 22.8 44.6 17 17 A N E -d 263 0C 112 -2,-0.5 247,-0.1 245,-0.2 245,-0.1 -0.839 37.1-127.7 -91.6 109.2 66.7 25.0 41.5 18 18 A L - 0 0 8 245,-2.2 3,-0.1 -2,-0.9 2,-0.1 -0.178 9.1-119.0 -64.3 146.9 65.3 22.4 39.1 19 19 A P - 0 0 28 0, 0.0 223,-2.9 0, 0.0 26,-0.2 -0.409 53.1 -76.5 -75.2 164.7 66.8 21.6 35.7 20 20 A G B -G 241 0D 2 24,-0.3 221,-0.3 221,-0.3 2,-0.2 -0.158 53.4 -91.9 -63.3 154.5 64.4 22.3 32.8 21 21 A S > - 0 0 0 219,-2.8 4,-2.4 22,-0.2 24,-0.4 -0.486 24.7-152.5 -67.8 131.3 61.5 20.1 31.9 22 22 A K H > S+ 0 0 17 -2,-0.2 4,-2.3 2,-0.2 5,-0.3 0.908 96.0 51.9 -69.6 -41.0 62.4 17.4 29.3 23 23 A S H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.920 116.1 39.0 -61.8 -46.2 58.7 17.2 28.1 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.909 113.3 57.3 -70.7 -43.2 58.5 21.0 27.6 25 25 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 109.3 42.0 -56.3 -49.7 62.0 21.4 26.3 26 26 A N H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.870 116.3 48.4 -70.8 -32.6 61.6 18.9 23.4 27 27 A R H X S+ 0 0 4 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.924 112.6 49.7 -68.3 -43.8 58.2 20.2 22.4 28 28 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.897 110.0 50.9 -62.6 -41.6 59.4 23.8 22.6 29 29 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.927 112.7 44.5 -64.3 -45.2 62.4 23.0 20.4 30 30 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.931 116.1 46.5 -65.7 -44.2 60.4 21.3 17.7 31 31 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.906 112.0 51.5 -65.2 -39.6 57.7 24.0 17.7 32 32 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.860 109.5 50.5 -63.1 -35.3 60.3 26.7 17.6 33 33 A A H < S+ 0 0 0 -4,-1.8 45,-3.1 -5,-0.2 46,-0.2 0.868 114.5 43.3 -70.9 -35.0 62.0 25.0 14.6 34 34 A L H < S+ 0 0 4 -4,-1.9 46,-2.2 43,-0.2 197,-0.3 0.780 103.2 89.5 -79.9 -26.4 58.7 24.8 12.7 35 35 A A S < S- 0 0 0 -4,-2.1 44,-2.4 44,-0.2 2,-0.4 -0.060 79.9-111.2 -71.9 167.8 57.6 28.4 13.7 36 36 A H B S+h 232 0E 75 195,-1.8 197,-3.1 42,-0.2 2,-0.1 -0.833 81.0 23.8 -97.8 135.3 58.2 31.7 12.0 37 37 A G S S- 0 0 44 -2,-0.4 40,-2.2 40,-0.3 2,-0.5 -0.311 97.2 -58.5 102.7 174.1 60.5 34.0 13.9 38 38 A K E -I 76 0F 98 38,-0.2 2,-0.4 -2,-0.1 197,-0.2 -0.841 45.8-159.8 -99.5 128.2 63.3 33.7 16.4 39 39 A T E -I 75 0F 0 36,-2.3 36,-3.2 -2,-0.5 2,-0.6 -0.901 4.2-157.0-108.1 134.9 62.4 31.9 19.7 40 40 A V E -Ij 74 236F 7 195,-2.8 197,-2.9 -2,-0.4 2,-0.5 -0.951 12.1-166.2-111.5 111.1 64.6 32.4 22.7 41 41 A L E -Ij 73 237F 0 32,-3.3 32,-2.7 -2,-0.6 2,-0.3 -0.856 4.7-170.0 -98.4 132.2 64.1 29.5 25.1 42 42 A T E +Ij 72 238F 45 195,-2.4 197,-2.8 -2,-0.5 30,-0.2 -0.898 67.2 25.5-120.2 156.2 65.5 29.9 28.7 43 43 A N S S+ 0 0 51 28,-0.5 29,-0.2 -2,-0.3 -22,-0.2 0.749 82.3 169.1 63.6 25.4 65.8 27.3 31.4 44 44 A L - 0 0 2 27,-2.9 -24,-0.3 -3,-0.2 2,-0.3 -0.392 38.3-109.6 -64.1 143.2 66.1 24.7 28.6 45 45 A L - 0 0 3 -24,-0.4 2,-0.7 -26,-0.2 -1,-0.1 -0.587 20.5-152.4 -77.9 136.3 67.2 21.3 29.9 46 46 A D + 0 0 62 -2,-0.3 2,-0.3 366,-0.1 25,-0.1 -0.943 49.0 117.4-106.9 106.8 70.7 20.1 28.9 47 47 A S S > S- 0 0 2 -2,-0.7 4,-2.8 366,-0.1 364,-0.2 -0.930 79.2 -87.4-156.2 173.5 70.4 16.3 28.9 48 48 A D H > S+ 0 0 46 362,-2.8 4,-2.4 -2,-0.3 5,-0.2 0.916 123.0 53.4 -57.3 -46.0 70.7 13.4 26.4 49 49 A D H > S+ 0 0 1 362,-1.9 4,-1.2 361,-0.2 -1,-0.2 0.873 114.1 41.2 -60.1 -38.3 67.1 13.6 25.3 50 50 A V H > S+ 0 0 0 361,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.903 111.2 56.6 -75.8 -40.1 67.3 17.3 24.5 51 51 A R H X S+ 0 0 87 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.874 105.6 52.3 -58.8 -36.6 70.8 17.0 22.9 52 52 A H H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.896 110.2 47.7 -67.5 -37.8 69.4 14.4 20.5 53 53 A M H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.939 112.5 49.2 -67.1 -44.3 66.6 16.7 19.5 54 54 A L H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.920 111.2 49.4 -60.2 -43.5 69.1 19.6 19.1 55 55 A N H X S+ 0 0 77 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.853 109.9 52.3 -63.1 -35.4 71.3 17.3 16.9 56 56 A A H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 109.6 48.1 -67.2 -42.5 68.3 16.4 14.9 57 57 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.3 0.930 110.5 51.8 -63.7 -43.4 67.4 20.0 14.2 58 58 A T H ><5S+ 0 0 77 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.936 110.1 49.5 -56.3 -45.9 71.0 20.7 13.3 59 59 A A H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.3 54.8 -63.7 -31.7 70.9 17.8 10.8 60 60 A L T 3<5S- 0 0 15 -4,-1.9 23,-0.5 -3,-0.1 -1,-0.3 0.386 124.3-102.5 -83.1 2.8 67.7 19.1 9.3 61 61 A G T < 5 + 0 0 62 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.584 69.6 148.9 91.6 8.8 69.3 22.5 8.7 62 62 A V < - 0 0 11 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.604 38.5-138.9 -79.8 136.9 67.8 24.5 11.5 63 63 A S E +K 76 0F 72 13,-0.5 13,-2.9 -2,-0.3 2,-0.3 -0.803 35.9 143.1 -98.7 133.9 70.0 27.3 12.9 64 64 A Y E -K 75 0F 43 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.985 33.3-140.3-160.1 164.7 70.4 28.0 16.6 65 65 A T E -K 74 0F 79 9,-1.6 9,-2.3 -2,-0.3 2,-0.4 -0.960 13.2-151.0-131.5 150.1 72.8 29.0 19.2 66 66 A L E -K 73 0F 47 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.934 17.5-120.8-122.8 145.6 73.2 27.8 22.8 67 67 A S > - 0 0 41 5,-2.3 3,-1.6 -2,-0.4 -1,-0.0 -0.201 44.0 -91.6 -73.2 173.5 74.5 29.6 25.9 68 68 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.860 129.9 42.8 -58.3 -37.2 77.6 28.2 27.7 69 69 A D T 3 S- 0 0 97 1,-0.0 -1,-0.3 3,-0.0 -23,-0.1 0.414 109.2-125.0 -90.7 5.8 75.5 26.1 30.1 70 70 A R S < S+ 0 0 75 -3,-1.6 -2,-0.1 2,-0.2 3,-0.0 0.661 84.1 108.8 61.4 22.1 73.2 25.1 27.2 71 71 A T + 0 0 41 1,-0.1 -27,-2.9 -25,-0.1 -28,-0.5 0.478 66.8 62.0-103.8 -5.9 70.1 26.3 29.0 72 72 A R E -I 42 0F 112 -30,-0.2 -5,-2.3 -29,-0.2 2,-0.4 -0.989 66.4-179.0-120.4 125.2 69.5 29.3 26.8 73 73 A C E -IK 41 66F 0 -32,-2.7 -32,-3.3 -2,-0.5 2,-0.7 -0.984 17.3-160.6-131.9 125.2 68.7 28.6 23.1 74 74 A E E -IK 40 65F 56 -9,-2.3 -9,-1.6 -2,-0.4 2,-0.5 -0.903 20.9-166.1-104.6 107.1 68.1 31.1 20.4 75 75 A I E -IK 39 64F 0 -36,-3.2 -36,-2.3 -2,-0.7 2,-0.9 -0.837 18.0-144.9-102.3 130.7 66.3 29.3 17.6 76 76 A I E -IK 38 63F 81 -13,-2.9 -13,-0.5 -2,-0.5 -38,-0.2 -0.796 31.0-129.3 -90.0 107.1 65.8 30.6 14.1 77 77 A G - 0 0 16 -40,-2.2 -40,-0.3 -2,-0.9 -44,-0.2 -0.247 3.5-142.6 -58.5 143.1 62.4 29.3 13.0 78 78 A N - 0 0 84 -45,-3.1 -42,-0.2 -46,-0.2 -44,-0.2 0.617 31.3-131.2 -79.5 -14.4 62.2 27.5 9.7 79 79 A G S S+ 0 0 27 -44,-2.4 -44,-0.2 -46,-0.2 -43,-0.2 0.935 75.1 8.7 63.9 45.8 58.8 29.0 9.0 80 80 A G S S- 0 0 13 -46,-2.2 -2,-0.2 -47,-0.2 -1,-0.1 -0.779 109.4 -17.7 141.6 175.3 57.2 25.7 8.0 81 81 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.063 66.4-115.8 -47.8 144.7 57.7 21.9 7.9 82 82 A L - 0 0 4 23,-0.1 2,-0.3 27,-0.0 26,-0.1 -0.575 34.6-159.3 -85.1 150.2 61.3 20.7 8.2 83 83 A H + 0 0 83 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.981 24.1 150.1-139.8 146.5 62.9 18.9 5.2 84 84 A A - 0 0 11 -2,-0.3 28,-2.1 26,-0.2 2,-0.2 -0.952 16.5-166.1-161.8 151.7 65.7 16.5 4.3 85 85 A E > + 0 0 137 -2,-0.3 3,-0.6 26,-0.2 69,-0.0 -0.659 57.1 69.7-129.0-171.6 66.2 13.8 1.6 86 86 A G T 3 S- 0 0 64 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.804 118.0 -73.1 67.7 30.6 68.5 11.0 0.8 87 87 A A T 3 - 0 0 34 25,-0.7 26,-0.3 1,-0.2 -1,-0.2 0.869 68.5-160.7 50.5 42.2 67.3 8.9 3.7 88 88 A L E < -l 113 0G 56 24,-1.4 26,-3.1 -3,-0.6 2,-0.6 -0.285 11.4-132.2 -52.9 130.0 69.1 11.2 6.1 89 89 A E E -l 114 0G 123 24,-0.2 2,-0.6 -3,-0.1 26,-0.2 -0.801 19.1-166.5 -97.5 125.2 69.5 9.3 9.4 90 90 A L E -l 115 0G 4 24,-3.0 26,-2.5 -2,-0.6 2,-0.6 -0.936 11.0-150.3-107.2 121.4 68.6 11.0 12.6 91 91 A F E +l 116 0G 96 -2,-0.6 26,-0.2 24,-0.2 -36,-0.1 -0.846 16.3 179.3 -95.0 119.8 69.8 9.2 15.7 92 92 A L > - 0 0 0 24,-3.0 3,-2.6 -2,-0.6 7,-0.2 0.094 21.9-146.7-111.6 23.9 67.4 9.8 18.6 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.3 -41,-0.1 -1,-0.3 -0.239 67.1 -43.1 50.0-123.0 69.0 7.8 21.4 94 94 A N T 3 S+ 0 0 6 23,-0.2 2,-1.1 26,-0.1 -1,-0.3 -0.101 94.5 139.8-127.9 35.0 66.1 6.6 23.6 95 95 A A X> - 0 0 0 -3,-2.6 4,-2.9 1,-0.2 3,-1.5 -0.667 27.3-178.8 -86.4 97.0 64.2 9.9 23.5 96 96 A G H 3> S+ 0 0 2 -2,-1.1 4,-2.7 1,-0.3 -1,-0.2 0.905 83.1 56.1 -60.7 -40.6 60.5 9.1 23.1 97 97 A I H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.453 114.2 40.8 -76.2 3.4 59.6 12.7 23.1 98 98 A A H <> S+ 0 0 0 -3,-1.5 4,-2.4 -6,-0.2 5,-0.3 0.712 117.0 46.9-107.1 -49.6 61.9 13.3 20.1 99 99 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 -7,-0.2 -2,-0.2 0.923 114.7 43.7 -58.6 -50.2 61.1 10.1 18.2 100 100 A R H X S+ 0 0 4 -4,-2.7 4,-1.6 -5,-0.2 5,-0.2 0.976 117.5 42.8 -66.6 -52.6 57.4 10.2 18.4 101 101 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.912 117.6 47.0 -59.8 -42.7 56.9 14.0 17.6 102 102 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.882 104.3 60.9 -67.0 -36.1 59.5 13.9 14.8 103 103 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.1 0.901 115.7 34.8 -56.6 -41.0 58.0 10.7 13.3 104 104 A A H >< S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.2 -2,-0.2 0.943 116.3 52.0 -76.9 -51.7 54.8 12.7 12.8 105 105 A A H >< S+ 0 0 3 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.873 104.8 56.3 -56.2 -41.9 56.2 16.1 12.0 106 106 A L T 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.3 49,-0.2 0.459 90.1 75.0 -74.4 2.5 58.5 14.8 9.3 107 107 A C T < S+ 0 0 0 -3,-2.0 50,-2.5 -5,-0.1 49,-0.4 0.493 71.8 108.3 -86.8 -6.4 55.6 13.3 7.4 108 108 A L B < S-o 157 0H 3 -3,-1.6 2,-0.1 -4,-0.2 50,-0.1 -0.574 89.6 -24.0 -75.0 130.9 54.6 16.8 6.3 109 109 A G S S- 0 0 42 48,-0.5 47,-2.4 -2,-0.3 2,-0.3 -0.404 113.5 -29.5 71.2-143.0 55.2 17.4 2.6 110 110 A S E S+ M 0 155G 98 45,-0.2 2,-0.3 -2,-0.1 45,-0.2 -0.792 72.7 142.7-109.2 153.3 57.9 15.3 0.9 111 111 A N E - 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0 0 132 -2,-0.4 12,-0.4 -5,-0.1 2,-0.3 -0.915 6.1-171.0-126.7 154.5 44.6 26.1 19.1 215 215 A I - 0 0 35 -2,-0.3 2,-0.8 10,-0.1 10,-0.2 -0.863 33.0 -95.6-137.1 172.3 42.3 23.2 18.2 216 216 A E E -R 224 0I 104 8,-2.7 8,-2.7 -2,-0.3 2,-0.7 -0.828 33.8-165.2 -97.6 110.4 39.0 21.8 19.2 217 217 A N E -R 223 0I 52 -2,-0.8 2,-1.1 6,-0.2 6,-0.2 -0.845 3.1-163.4 -95.7 113.0 39.2 19.2 22.0 218 218 A Q E >> S-R 222 0I 66 4,-3.4 3,-2.4 -2,-0.7 4,-1.0 -0.735 70.6 -57.4-100.2 87.2 36.0 17.3 22.3 219 219 A H T 34 S- 0 0 169 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.772 92.7 -72.1 46.5 36.6 36.4 15.7 25.8 220 220 A Y T 34 S+ 0 0 51 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.620 124.0 95.9 60.0 15.5 39.6 14.0 24.7 221 221 A Q T <4 S+ 0 0 116 -3,-2.4 -30,-2.6 1,-0.4 2,-0.3 0.655 94.9 12.4-101.9 -26.5 37.7 11.6 22.5 222 222 A Q E < -QR 190 218I 56 -4,-1.0 -4,-3.4 -32,-0.2 2,-0.5 -0.980 61.6-157.8-154.8 139.4 38.1 13.6 19.4 223 223 A F E -QR 189 217I 0 -34,-2.6 -34,-3.1 -2,-0.3 2,-0.6 -0.983 8.6-155.4-124.3 124.5 40.2 16.6 18.3 224 224 A V E -QR 188 216I 38 -8,-2.7 -8,-2.7 -2,-0.5 2,-0.4 -0.886 16.1-173.5-102.9 118.2 39.3 18.8 15.4 225 225 A V E -Q 187 0I 1 -38,-3.1 -38,-2.1 -2,-0.6 2,-0.5 -0.926 19.3-140.0-116.7 134.6 42.2 20.6 13.8 226 226 A K - 0 0 151 -2,-0.4 3,-0.3 -12,-0.4 -40,-0.1 -0.798 25.9-141.5 -89.6 130.2 42.1 23.2 11.1 227 227 A G S S+ 0 0 16 -2,-0.5 -45,-0.2 1,-0.2 -41,-0.2 -0.169 73.1 53.2 -82.2-178.5 44.9 22.7 8.5 228 228 A G S S+ 0 0 60 -45,-3.0 -46,-0.2 -48,-0.2 -1,-0.2 0.714 77.2 138.4 67.0 23.8 47.0 25.4 6.8 229 229 A Q - 0 0 51 -48,-3.0 2,-0.4 -3,-0.3 -1,-0.2 -0.405 41.8-142.4 -93.8 173.8 48.1 27.0 10.0 230 230 A S - 0 0 56 -18,-0.2 2,-0.2 -2,-0.1 -195,-0.1 -1.000 12.1-128.1-137.9 136.5 51.5 28.3 11.0 231 231 A Y - 0 0 1 -2,-0.4 -195,-1.8 -197,-0.3 2,-0.4 -0.608 27.2-154.8 -80.4 147.7 53.3 28.3 14.3 232 232 A Q B -h 36 0E 90 -21,-2.4 -195,-0.2 -197,-0.3 -197,-0.1 -0.978 22.4-103.6-127.7 137.5 54.7 31.7 15.4 233 233 A S - 0 0 32 -197,-3.1 3,-0.1 -2,-0.4 -195,-0.1 -0.281 19.2-151.9 -57.9 134.5 57.5 32.5 17.7 234 234 A P - 0 0 47 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.367 36.1-127.7 -88.3 5.2 56.3 33.5 21.2 235 235 A G S S+ 0 0 32 -197,-0.2 -195,-2.8 2,-0.1 2,-0.5 -0.779 78.2 10.4 88.2-117.8 59.5 35.6 21.6 236 236 A T E S-j 40 0F 113 -2,-0.7 2,-0.4 -197,-0.2 -195,-0.2 -0.854 75.5-172.5 -98.8 129.8 61.2 34.7 24.9 237 237 A Y E -j 41 0F 29 -197,-2.9 -195,-2.4 -2,-0.5 2,-0.6 -0.986 16.9-141.9-128.5 131.7 59.8 31.6 26.5 238 238 A L E -j 42 0F 112 -2,-0.4 2,-0.4 -197,-0.2 -195,-0.2 -0.836 15.7-141.2 -96.8 116.1 60.6 30.2 30.0 239 239 A V - 0 0 0 -197,-2.8 3,-0.1 -2,-0.6 -2,-0.0 -0.630 25.7-118.7 -74.2 126.1 60.8 26.4 30.2 240 240 A E - 0 0 35 -2,-0.4 -219,-2.8 1,-0.1 25,-0.2 -0.268 32.6 -98.5 -61.0 153.0 59.3 25.2 33.5 241 241 A G B -G 20 0D 0 23,-2.7 2,-0.7 -221,-0.3 -221,-0.3 -0.333 52.7 -88.1 -66.4 158.8 61.6 23.2 35.8 242 242 A D > - 0 0 2 -223,-2.9 4,-1.6 1,-0.2 -1,-0.1 -0.604 35.1-168.5 -79.4 111.7 61.1 19.5 35.6 243 243 A A H > S+ 0 0 4 -2,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.779 89.8 54.2 -67.9 -26.7 58.3 18.2 37.9 244 244 A S H >> S+ 0 0 4 2,-0.2 3,-0.7 1,-0.2 4,-0.5 0.933 108.9 47.5 -72.0 -45.5 59.4 14.6 37.3 245 245 A S H >> S+ 0 0 0 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.821 107.0 60.0 -61.9 -31.1 63.0 15.4 38.3 246 246 A A H >X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.6 0.799 86.0 77.2 -68.3 -27.6 61.6 17.2 41.4 247 247 A S H - 0 0 2 -2,-0.3 3,-1.9 26,-0.2 25,-0.2 -0.812 59.8 -55.9-156.3-164.1 54.7 25.9 41.3 267 267 A R T 3 S+ 0 0 137 23,-2.4 24,-0.1 26,-0.3 25,-0.1 0.717 128.1 54.5 -61.7 -21.2 50.9 25.7 41.7 268 268 A N T 3 S+ 0 0 105 23,-0.4 -1,-0.3 22,-0.3 23,-0.1 0.417 78.8 131.9 -93.0 -1.2 50.4 27.0 38.1 269 269 A S < - 0 0 18 -3,-1.9 -4,-0.1 1,-0.1 5,-0.0 -0.141 53.6-144.9 -56.2 146.6 52.6 24.5 36.4 270 270 A M + 0 0 31 -67,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.617 69.1 104.5 -85.7 -16.5 51.3 22.7 33.3 271 271 A Q > - 0 0 7 1,-0.1 3,-1.4 -68,-0.1 4,-0.2 -0.507 64.9-146.6 -73.2 132.2 53.0 19.4 34.1 272 272 A G G > S+ 0 0 10 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.774 90.5 75.6 -67.4 -25.8 50.9 16.6 35.5 273 273 A D G > S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.599 72.8 78.5 -67.7 -6.1 53.7 15.4 37.7 274 274 A I G X S+ 0 0 5 -3,-1.4 3,-1.5 1,-0.3 4,-0.4 0.764 81.1 72.0 -69.4 -17.3 53.3 18.2 40.2 275 275 A R G <> S+ 0 0 93 -3,-2.2 4,-1.1 1,-0.3 3,-0.4 0.614 74.9 81.7 -70.8 -8.6 50.4 16.0 41.3 276 276 A F H <> S+ 0 0 1 -3,-1.7 4,-2.0 1,-0.2 3,-0.5 0.878 83.6 60.8 -60.1 -35.8 53.1 13.8 42.7 277 277 A A H <> S+ 0 0 1 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.874 97.3 57.7 -60.2 -36.0 53.1 16.2 45.7 278 278 A D H > S+ 0 0 44 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.3 0.843 104.2 52.6 -61.3 -37.0 49.4 15.3 46.3 279 279 A V H X S+ 0 0 2 -4,-1.1 4,-2.0 -3,-0.5 -2,-0.2 0.942 108.3 48.7 -66.3 -47.1 50.5 11.6 46.7 280 280 A L H X>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.8 0.913 110.3 52.6 -59.4 -38.6 53.1 12.5 49.3 281 281 A E H ><5S+ 0 0 97 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.928 107.7 51.2 -62.8 -41.5 50.5 14.5 51.1 282 282 A K H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 107.3 54.8 -64.3 -30.7 48.2 11.5 51.1 283 283 A M H 3<5S- 0 0 0 -4,-2.0 19,-2.8 -5,-0.1 -1,-0.3 0.631 131.8 -89.6 -76.6 -15.5 51.1 9.4 52.5 284 284 A G T <<5S+ 0 0 22 -3,-1.0 16,-1.7 -4,-0.8 -3,-0.2 0.451 83.9 125.6 123.4 0.0 51.5 11.8 55.4 285 285 A A < - 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