==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-AUG-02 1MI4 . COMPND 2 MOLECULE: 5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.ESCHENBURG,M.L.HEALY,M.A.PRIESTMAN,G.H.LUSHINGTON, . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 75.9 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 . 60 14.1 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 . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 23.4 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 2 1 1 2 1 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 2 8 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 0 179 0, 0.0 2,-0.1 0, 0.0 403,-0.0 0.000 360.0 360.0 360.0 115.8 81.0 -1.1 34.7 2 2 A E + 0 0 107 402,-0.0 403,-2.8 2,-0.0 2,-0.3 -0.428 360.0 179.9 -74.3 150.9 81.1 2.3 36.5 3 3 A S E -A 404 0A 65 401,-0.2 2,-0.4 402,-0.2 401,-0.2 -0.986 20.4-152.8-149.6 159.8 79.4 2.5 39.9 4 4 A L E -A 403 0A 44 399,-2.0 399,-3.4 -2,-0.3 2,-0.5 -1.000 11.3-151.3-133.4 132.2 78.8 5.0 42.6 5 5 A T E -A 402 0A 82 -2,-0.4 2,-0.5 397,-0.2 397,-0.2 -0.924 8.7-154.1-107.1 129.2 78.3 4.1 46.3 6 6 A L E -A 401 0A 27 395,-3.0 395,-1.5 -2,-0.5 3,-0.1 -0.872 9.4-142.3-102.1 128.8 76.2 6.4 48.4 7 7 A Q - 0 0 156 -2,-0.5 392,-0.1 393,-0.2 388,-0.0 -0.491 42.9 -74.0 -83.0 158.6 76.8 6.5 52.1 8 8 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.222 44.7-141.1 -52.6 139.0 73.9 6.7 54.6 9 9 A I - 0 0 15 386,-2.9 417,-0.1 388,-0.3 3,-0.1 -0.928 9.2-163.2-108.5 114.9 72.3 10.2 54.6 10 10 A A S S- 0 0 56 -2,-0.6 2,-0.3 415,-0.6 416,-0.2 0.819 70.3 -12.3 -68.9 -33.1 71.3 11.3 58.1 11 11 A R E -C 425 0B 79 414,-1.5 414,-3.2 2,-0.1 2,-0.4 -0.980 56.9-142.3-163.7 151.8 69.0 14.2 57.0 12 12 A V E +C 424 0B 0 244,-1.8 246,-0.4 -2,-0.3 2,-0.3 -0.971 31.5 148.7-121.7 144.2 68.2 16.2 53.9 13 13 A D + 0 0 59 410,-2.0 2,-0.3 -2,-0.4 247,-0.2 -0.882 27.6 66.2-168.3 139.7 67.4 19.9 54.0 14 14 A G E -d 260 0C 24 245,-2.5 247,-2.6 -2,-0.3 2,-0.4 -0.945 69.4 -64.8 144.7-165.5 67.9 22.7 51.6 15 15 A T E -d 261 0C 66 -2,-0.3 2,-0.4 245,-0.2 247,-0.2 -0.981 29.5-164.5-131.6 138.3 66.9 24.2 48.2 16 16 A I E -d 262 0C 0 245,-2.7 247,-2.5 -2,-0.4 2,-0.8 -0.987 14.8-145.5-121.5 130.3 67.5 22.8 44.8 17 17 A N E -d 263 0C 111 -2,-0.4 247,-0.1 245,-0.2 245,-0.1 -0.867 37.5-124.8 -93.4 111.6 67.1 25.0 41.7 18 18 A L - 0 0 8 245,-2.1 3,-0.1 -2,-0.8 2,-0.1 -0.164 9.6-118.4 -65.0 149.6 65.7 22.5 39.2 19 19 A P - 0 0 28 0, 0.0 223,-3.1 0, 0.0 26,-0.2 -0.429 53.7 -79.1 -74.7 160.3 67.2 21.6 35.8 20 20 A G B -G 241 0D 1 24,-0.3 2,-0.3 221,-0.3 221,-0.3 -0.154 53.1 -90.5 -61.8 156.2 64.7 22.4 32.9 21 21 A S > - 0 0 0 219,-2.9 4,-2.8 22,-0.2 24,-0.4 -0.511 25.0-153.2 -70.2 126.0 61.8 20.2 32.0 22 22 A K H > S+ 0 0 15 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.925 96.3 51.5 -63.2 -44.4 62.7 17.5 29.4 23 23 A S H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 116.3 38.8 -61.9 -43.8 59.1 17.3 28.2 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.909 113.4 56.9 -73.5 -41.8 58.8 21.1 27.8 25 25 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.919 109.2 42.7 -56.1 -50.3 62.3 21.5 26.4 26 26 A N H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.875 115.9 48.4 -71.1 -33.2 61.9 19.1 23.5 27 27 A R H X S+ 0 0 10 -4,-1.3 4,-2.6 -5,-0.3 5,-0.2 0.939 113.0 48.7 -66.3 -46.8 58.5 20.3 22.6 28 28 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.873 109.8 52.0 -61.2 -40.1 59.7 24.0 22.7 29 29 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.932 112.2 44.3 -62.8 -45.3 62.7 23.2 20.5 30 30 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.911 115.5 47.3 -66.9 -42.3 60.7 21.5 17.8 31 31 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.922 111.6 50.9 -66.6 -40.1 58.0 24.2 17.8 32 32 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 110.0 51.4 -61.3 -36.8 60.7 27.0 17.7 33 33 A A H < S+ 0 0 0 -4,-1.9 45,-2.9 -5,-0.2 47,-0.3 0.871 114.6 41.9 -67.5 -38.0 62.3 25.2 14.8 34 34 A L H < S+ 0 0 4 -4,-1.9 46,-1.8 43,-0.2 197,-0.3 0.775 103.4 91.4 -78.6 -30.1 59.0 25.0 12.9 35 35 A A S < S- 0 0 0 -4,-2.3 44,-2.5 44,-0.2 2,-0.4 -0.041 78.9-113.3 -64.4 166.3 58.0 28.6 13.9 36 36 A H B S+h 232 0E 74 195,-1.8 197,-3.0 42,-0.2 42,-0.1 -0.851 80.6 23.6 -98.6 136.0 58.5 31.9 12.1 37 37 A G S S- 0 0 45 -2,-0.4 40,-2.0 40,-0.4 2,-0.5 -0.303 97.9 -57.0 101.6 175.1 60.9 34.3 14.0 38 38 A K E -I 76 0F 101 38,-0.2 2,-0.5 195,-0.1 197,-0.3 -0.813 45.9-160.8 -99.1 128.9 63.6 33.9 16.6 39 39 A T E -I 75 0F 0 36,-2.4 36,-3.0 -2,-0.5 2,-0.6 -0.922 4.2-158.0-110.9 133.1 62.8 32.1 19.8 40 40 A V E -Ij 74 236F 7 195,-2.9 197,-3.1 -2,-0.5 2,-0.4 -0.957 11.8-166.7-109.5 115.5 65.0 32.6 22.9 41 41 A L E -Ij 73 237F 0 32,-3.3 32,-2.4 -2,-0.6 2,-0.3 -0.869 4.2-170.8-102.2 135.6 64.5 29.7 25.3 42 42 A T E + j 0 238F 46 195,-2.3 197,-2.9 -2,-0.4 30,-0.2 -0.904 67.9 27.1-123.6 157.2 65.9 30.0 28.8 43 43 A N S S+ 0 0 49 28,-0.3 29,-0.2 -2,-0.3 -22,-0.2 0.745 81.5 168.8 63.1 26.0 66.2 27.3 31.5 44 44 A L - 0 0 1 27,-3.0 -24,-0.3 -3,-0.2 2,-0.3 -0.402 39.2-110.0 -63.4 144.0 66.4 24.8 28.7 45 45 A L - 0 0 4 -24,-0.4 2,-0.8 -26,-0.2 -1,-0.1 -0.635 20.6-151.2 -78.9 137.3 67.5 21.4 30.0 46 46 A D + 0 0 54 -2,-0.3 2,-0.3 366,-0.1 25,-0.1 -0.917 49.1 118.7-106.7 103.4 71.0 20.2 29.1 47 47 A S S > S- 0 0 3 -2,-0.8 4,-2.8 366,-0.1 3,-0.3 -0.947 78.1 -88.4-154.9 170.7 70.7 16.4 29.1 48 48 A D H > S+ 0 0 66 362,-2.7 4,-2.5 -2,-0.3 5,-0.2 0.893 122.1 52.3 -53.4 -45.7 71.1 13.5 26.6 49 49 A D H > S+ 0 0 2 362,-2.0 4,-1.2 361,-0.2 -1,-0.2 0.863 113.1 42.9 -63.0 -37.1 67.5 13.7 25.4 50 50 A V H > S+ 0 0 0 361,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.892 110.7 56.8 -75.6 -37.9 67.6 17.4 24.6 51 51 A R H X S+ 0 0 100 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.905 104.6 52.4 -59.5 -40.3 71.0 17.0 23.1 52 52 A H H X S+ 0 0 29 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.895 110.3 48.6 -62.5 -38.7 69.7 14.4 20.6 53 53 A M H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.948 111.7 48.9 -64.5 -45.6 66.9 16.8 19.6 54 54 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.910 111.1 50.6 -60.8 -40.9 69.4 19.7 19.1 55 55 A N H X S+ 0 0 77 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.860 109.3 51.0 -65.6 -35.4 71.5 17.4 17.0 56 56 A A H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 109.7 49.5 -67.8 -41.9 68.6 16.4 14.9 57 57 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.916 110.7 50.6 -64.0 -40.1 67.7 20.1 14.3 58 58 A T H ><5S+ 0 0 77 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.945 110.4 49.4 -61.8 -44.9 71.3 20.8 13.4 59 59 A A H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.8 54.7 -63.1 -32.1 71.2 17.9 10.9 60 60 A L T 3<5S- 0 0 15 -4,-2.0 23,-0.5 -5,-0.1 -1,-0.3 0.454 124.4-103.3 -81.0 -2.3 68.0 19.2 9.5 61 61 A G T < 5 + 0 0 62 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.567 68.1 150.3 95.9 8.4 69.6 22.6 8.8 62 62 A V < - 0 0 11 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.581 38.2-137.7 -78.2 136.1 68.1 24.6 11.7 63 63 A S E +K 76 0F 74 13,-0.5 13,-2.8 -2,-0.3 2,-0.3 -0.773 37.4 140.5 -96.0 131.9 70.3 27.4 12.9 64 64 A Y E -K 75 0F 44 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.988 34.2-139.7-160.3 163.8 70.7 28.1 16.7 65 65 A T E -K 74 0F 84 9,-1.8 9,-2.3 -2,-0.3 2,-0.4 -0.945 13.3-150.0-128.8 155.1 73.2 29.1 19.3 66 66 A L E -K 73 0F 48 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.940 16.4-121.7-125.2 145.1 73.6 27.9 22.9 67 67 A S > - 0 0 40 5,-2.5 3,-1.4 -2,-0.4 -1,-0.0 -0.196 43.8 -91.4 -73.9 173.8 74.9 29.6 26.0 68 68 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.858 129.3 41.9 -57.1 -39.7 77.9 28.2 27.8 69 69 A D T 3 S- 0 0 98 1,-0.0 -1,-0.3 3,-0.0 -23,-0.1 0.405 109.4-123.9 -91.6 5.4 75.8 26.1 30.1 70 70 A R S < S+ 0 0 51 -3,-1.4 -2,-0.1 2,-0.2 3,-0.1 0.657 84.7 107.7 62.0 23.1 73.5 25.1 27.3 71 71 A T + 0 0 42 1,-0.1 -27,-3.0 -25,-0.1 2,-0.5 0.471 67.0 62.7-105.2 -6.7 70.4 26.3 29.1 72 72 A R + 0 0 101 -30,-0.2 -5,-2.5 -29,-0.2 2,-0.4 -0.986 65.9 179.9-119.6 127.5 69.8 29.4 26.9 73 73 A C E -IK 41 66F 0 -32,-2.4 -32,-3.3 -2,-0.5 2,-0.7 -0.992 17.4-160.6-133.3 126.2 69.1 28.7 23.2 74 74 A E E -IK 40 65F 57 -9,-2.3 -9,-1.8 -2,-0.4 2,-0.5 -0.930 19.9-167.2-107.5 111.0 68.4 31.2 20.5 75 75 A I E -IK 39 64F 0 -36,-3.0 -36,-2.4 -2,-0.7 2,-0.8 -0.867 19.1-144.9-106.5 129.4 66.7 29.5 17.6 76 76 A I E -IK 38 63F 85 -13,-2.8 -13,-0.5 -2,-0.5 -38,-0.2 -0.799 32.7-128.7 -87.9 111.7 66.2 30.9 14.1 77 77 A G - 0 0 15 -40,-2.0 -40,-0.4 -2,-0.8 -44,-0.2 -0.289 3.1-140.8 -64.9 144.5 62.8 29.5 13.1 78 78 A N - 0 0 83 -45,-2.9 -42,-0.2 -46,-0.2 -44,-0.2 0.637 31.2-131.1 -76.1 -17.7 62.5 27.7 9.8 79 79 A G S S+ 0 0 27 -44,-2.5 -44,-0.2 -46,-0.2 -43,-0.2 0.906 74.9 7.3 67.6 38.9 59.1 29.2 9.1 80 80 A G S S- 0 0 13 -46,-1.8 -2,-0.2 -47,-0.3 150,-0.1 -0.816 108.7 -15.5 145.6 177.3 57.5 25.9 8.2 81 81 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.038 66.2-117.7 -47.2 141.7 58.0 22.1 8.0 82 82 A L - 0 0 6 23,-0.1 2,-0.4 27,-0.0 26,-0.1 -0.544 34.2-158.3 -83.7 153.2 61.6 20.9 8.2 83 83 A H + 0 0 85 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.989 24.7 150.5-143.2 146.3 63.1 19.1 5.3 84 84 A A - 0 0 10 -2,-0.4 28,-2.0 26,-0.2 2,-0.2 -0.961 15.3-167.6-160.3 152.1 65.8 16.7 4.3 85 85 A E > + 0 0 136 -2,-0.3 3,-0.7 26,-0.2 69,-0.0 -0.646 56.8 71.3-129.3-170.4 66.3 14.0 1.6 86 86 A G T 3 S- 0 0 67 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.753 117.3 -75.0 69.3 27.7 68.7 11.2 0.8 87 87 A A T 3 - 0 0 34 25,-0.7 26,-0.3 1,-0.2 -1,-0.2 0.880 68.5-162.3 50.4 43.2 67.4 9.0 3.6 88 88 A L E < -l 113 0G 54 24,-1.4 26,-3.1 -3,-0.7 2,-0.5 -0.315 12.2-132.0 -55.0 131.5 69.3 11.3 6.1 89 89 A E E -l 114 0G 121 24,-0.2 2,-0.6 -3,-0.1 26,-0.2 -0.816 18.3-165.2 -97.9 127.3 69.6 9.4 9.3 90 90 A L E -l 115 0G 4 24,-2.9 26,-2.4 -2,-0.5 2,-0.7 -0.950 11.2-151.5-105.9 121.3 68.7 11.1 12.6 91 91 A F E -l 116 0G 94 -2,-0.6 26,-0.2 24,-0.2 -36,-0.1 -0.855 14.5-177.7 -97.7 116.5 70.0 9.2 15.6 92 92 A L > - 0 0 0 24,-3.3 3,-2.5 -2,-0.7 7,-0.2 0.128 20.0-145.9-106.2 20.7 67.8 9.9 18.5 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.2 -41,-0.1 -1,-0.3 -0.288 67.1 -44.6 54.1-127.3 69.4 7.9 21.4 94 94 A N T 3 S+ 0 0 7 23,-0.2 2,-1.1 26,-0.1 -1,-0.3 -0.099 97.3 135.4-124.9 37.3 66.5 6.7 23.6 95 95 A A X> + 0 0 0 -3,-2.5 4,-2.9 1,-0.2 3,-1.7 -0.692 28.4 179.0 -89.7 96.6 64.7 10.0 23.5 96 96 A A H 3> S+ 0 0 4 -2,-1.1 4,-2.6 1,-0.3 -1,-0.2 0.827 80.9 63.7 -67.6 -27.1 61.0 9.3 23.0 97 97 A T H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.528 111.9 36.4 -76.6 -2.1 60.2 12.9 23.1 98 98 A A H <> S+ 0 0 0 -3,-1.7 4,-2.5 -6,-0.2 5,-0.4 0.689 118.0 50.9-105.6 -48.1 62.4 13.4 20.0 99 99 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 -7,-0.2 -2,-0.2 0.930 113.3 40.3 -57.1 -53.1 61.4 10.2 18.3 100 100 A R H X S+ 0 0 5 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.964 118.4 44.9 -67.7 -47.7 57.6 10.4 18.5 101 101 A P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.923 116.6 45.2 -62.2 -41.6 57.3 14.1 17.7 102 102 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.863 104.9 62.9 -69.5 -31.6 59.8 14.1 14.8 103 103 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.4 -3,-0.1 0.909 114.9 33.6 -57.4 -41.2 58.2 10.9 13.4 104 104 A A H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.2 -2,-0.2 0.942 117.6 51.9 -77.4 -49.4 55.0 12.8 12.9 105 105 A A H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.851 103.9 56.3 -59.2 -41.5 56.5 16.3 12.1 106 106 A L T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -22,-0.1 0.392 89.5 76.0 -75.1 4.0 58.8 15.1 9.4 107 107 A C T < S+ 0 0 0 -3,-2.0 50,-2.7 48,-0.1 2,-0.4 0.403 70.8 109.3 -88.2 -2.8 55.8 13.5 7.5 108 108 A L S < S- 0 0 3 -3,-1.5 2,-0.2 47,-0.2 50,-0.1 -0.655 89.2 -25.0 -78.6 126.2 54.8 17.0 6.4 109 109 A G S S- 0 0 43 48,-0.5 47,-2.4 -2,-0.4 2,-0.3 -0.469 113.9 -27.1 74.9-145.6 55.4 17.6 2.7 110 110 A S E S+ M 0 155G 97 45,-0.2 2,-0.3 -2,-0.2 45,-0.2 -0.755 73.7 144.8-102.5 152.3 58.1 15.5 0.9 111 111 A N E - 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0 0 132 -2,-0.4 12,-0.3 -5,-0.1 2,-0.3 -0.913 7.0-169.4-126.7 154.1 44.9 26.4 19.3 215 215 A I - 0 0 34 -2,-0.3 2,-0.8 10,-0.1 10,-0.2 -0.841 32.7 -94.8-136.3 172.2 42.7 23.5 18.5 216 216 A E E -Q 224 0H 103 8,-2.7 8,-2.6 -2,-0.3 2,-0.8 -0.817 34.6-164.3 -96.7 108.4 39.3 22.2 19.5 217 217 A N E -Q 223 0H 49 -2,-0.8 2,-1.0 6,-0.2 6,-0.2 -0.804 2.0-164.5 -92.9 111.6 39.6 19.7 22.3 218 218 A Q E >> -Q 222 0H 62 4,-3.3 3,-2.4 -2,-0.8 4,-1.2 -0.751 69.9 -54.8 -99.4 89.9 36.3 17.7 22.7 219 219 A H T 34 S- 0 0 168 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.753 93.0 -72.9 49.7 34.0 36.7 16.0 26.1 220 220 A Y T 34 S+ 0 0 59 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.694 125.6 94.8 56.8 21.5 40.0 14.4 25.1 221 221 A Q T <4 S+ 0 0 114 -3,-2.4 -30,-2.6 1,-0.4 2,-0.3 0.655 92.5 14.4-108.4 -30.1 38.0 12.1 22.9 222 222 A Q E < -PQ 190 218H 59 -4,-1.2 -4,-3.3 -32,-0.2 2,-0.5 -0.991 62.4-156.7-150.4 140.3 38.4 14.0 19.7 223 223 A F E -PQ 189 217H 0 -34,-2.9 -34,-3.1 -2,-0.3 2,-0.6 -0.978 6.6-155.1-124.8 126.2 40.5 16.9 18.5 224 224 A V E -PQ 188 216H 41 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.5 -0.873 16.2-175.5-103.2 117.2 39.6 19.3 15.7 225 225 A V E -P 187 0H 0 -38,-3.2 -38,-2.4 -2,-0.6 2,-0.4 -0.943 18.9-141.6-116.9 129.0 42.5 20.9 14.0 226 226 A K - 0 0 148 -2,-0.5 3,-0.3 -12,-0.3 -43,-0.1 -0.712 24.8-138.2 -86.4 135.3 42.4 23.5 11.3 227 227 A G S S+ 0 0 16 -2,-0.4 -41,-0.2 1,-0.2 -45,-0.2 -0.223 74.9 52.0 -82.9 178.7 45.0 23.1 8.6 228 228 A G S S+ 0 0 62 -45,-2.7 -46,-0.2 -48,-0.2 -1,-0.2 0.670 77.1 139.6 69.4 21.1 47.2 25.7 6.9 229 229 A Q - 0 0 50 -48,-2.9 2,-0.3 -3,-0.3 -1,-0.2 -0.303 39.6-145.8 -89.7 174.3 48.4 27.3 10.2 230 230 A S - 0 0 55 -18,-0.2 2,-0.3 -2,-0.1 -195,-0.1 -0.994 13.3-126.3-140.1 142.5 51.8 28.5 11.1 231 231 A Y - 0 0 1 -2,-0.3 -195,-1.8 -197,-0.3 2,-0.4 -0.693 26.2-155.4 -88.2 146.7 53.7 28.5 14.4 232 232 A Q B -h 36 0E 93 -21,-2.3 -195,-0.2 -2,-0.3 -197,-0.1 -0.975 22.7-105.3-125.4 137.0 55.0 31.9 15.5 233 233 A S - 0 0 30 -197,-3.0 -195,-0.1 -2,-0.4 3,-0.1 -0.332 18.3-150.9 -57.5 134.4 57.9 32.6 17.9 234 234 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.377 36.5-127.5 -87.3 2.9 56.7 33.8 21.4 235 235 A G S S+ 0 0 30 -197,-0.3 -195,-2.9 2,-0.1 2,-0.4 -0.773 79.4 14.6 89.2-114.3 59.9 35.8 21.7 236 236 A T E S-j 40 0F 113 -2,-0.7 2,-0.4 -197,-0.2 -195,-0.2 -0.805 74.1-171.2 -95.4 137.7 61.5 34.8 25.0 237 237 A Y E -j 41 0F 23 -197,-3.1 -195,-2.3 -2,-0.4 2,-0.6 -0.991 14.8-146.6-134.4 128.3 60.2 31.6 26.6 238 238 A L E -j 42 0F 119 -2,-0.4 2,-0.3 -197,-0.2 -195,-0.2 -0.837 16.4-141.4 -97.6 117.2 61.1 30.3 30.1 239 239 A V - 0 0 0 -197,-2.9 3,-0.1 -2,-0.6 -2,-0.0 -0.608 24.6-116.5 -77.3 129.1 61.2 26.5 30.3 240 240 A E - 0 0 34 -2,-0.3 -219,-2.9 1,-0.1 25,-0.2 -0.267 32.3-100.6 -60.6 151.3 59.7 25.3 33.6 241 241 A G B -G 20 0D 0 23,-2.7 2,-0.7 -221,-0.3 -221,-0.3 -0.383 53.1 -88.2 -64.7 159.2 62.0 23.4 36.0 242 242 A D > - 0 0 2 -223,-3.1 4,-1.7 1,-0.2 -1,-0.1 -0.576 34.9-167.9 -82.7 113.7 61.5 19.6 35.7 243 243 A A H > S+ 0 0 3 -2,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.739 89.7 53.5 -70.2 -22.9 58.7 18.4 38.0 244 244 A S H >> S+ 0 0 4 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.909 108.6 48.6 -77.4 -44.3 59.8 14.7 37.5 245 245 A S H >> S+ 0 0 0 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.852 107.4 59.7 -61.0 -30.3 63.4 15.5 38.5 246 246 A A H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-0.6 0.811 85.7 77.0 -68.4 -26.2 61.9 17.3 41.5 247 247 A S H - 0 0 3 -2,-0.3 3,-1.8 26,-0.2 25,-0.2 -0.834 60.6 -53.8-160.4-163.6 55.0 26.0 41.6 267 267 A R T 3 S+ 0 0 131 23,-2.2 24,-0.1 26,-0.3 25,-0.1 0.705 128.5 51.6 -63.1 -20.1 51.3 25.8 41.8 268 268 A N T 3 S+ 0 0 108 23,-0.4 -1,-0.3 22,-0.2 23,-0.1 0.380 80.2 130.4 -97.3 1.5 50.7 27.2 38.3 269 269 A S < - 0 0 19 -3,-1.8 -4,-0.1 1,-0.1 5,-0.1 -0.221 54.8-143.4 -58.4 145.4 53.0 24.7 36.5 270 270 A M + 0 0 33 -67,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.626 68.6 105.6 -83.5 -14.4 51.7 22.9 33.5 271 271 A Q > - 0 0 7 1,-0.2 3,-1.7 -68,-0.1 4,-0.2 -0.524 64.5-146.8 -74.0 126.8 53.5 19.6 34.3 272 272 A G G > S+ 0 0 10 -2,-0.3 3,-2.3 1,-0.3 -1,-0.2 0.788 90.9 75.4 -61.9 -25.6 51.3 16.9 35.6 273 273 A D G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.599 72.4 79.0 -68.6 -5.3 54.1 15.6 37.8 274 274 A I G X S+ 0 0 6 -3,-1.7 3,-1.5 1,-0.3 4,-0.4 0.782 81.4 71.4 -69.2 -17.0 53.7 18.4 40.3 275 275 A R G <> S+ 0 0 95 -3,-2.3 4,-1.0 1,-0.3 3,-0.4 0.580 74.2 82.8 -71.3 -9.2 50.8 16.2 41.5 276 276 A F H <> S+ 0 0 1 -3,-1.7 4,-1.8 1,-0.2 3,-0.5 0.861 83.3 61.5 -58.8 -34.5 53.4 13.9 42.9 277 277 A A H <> S+ 0 0 1 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.870 95.9 59.0 -61.7 -35.2 53.5 16.3 45.8 278 278 A D H > S+ 0 0 44 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.3 0.857 103.4 52.8 -60.1 -37.8 49.8 15.4 46.5 279 279 A V H X S+ 0 0 1 -4,-1.0 4,-1.6 -3,-0.5 -1,-0.2 0.935 107.0 49.9 -67.4 -43.8 50.8 11.8 46.9 280 280 A L H X>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 4,-0.6 0.897 110.1 52.5 -61.1 -36.3 53.5 12.6 49.5 281 281 A E H ><5S+ 0 0 98 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.920 106.7 52.1 -64.9 -40.2 50.8 14.7 51.3 282 282 A K H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.5 54.5 -65.1 -27.4 48.5 11.7 51.3 283 283 A M H 3<5S- 0 0 0 -4,-1.6 19,-2.6 -5,-0.1 -1,-0.3 0.588 131.2 -90.0 -82.1 -13.0 51.4 9.6 52.7 284 284 A G T <<5S+ 0 0 23 -3,-1.2 16,-1.6 -4,-0.6 -3,-0.2 0.431 83.1 127.8 121.4 -2.5 51.8 12.0 55.7 285 285 A A < - 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