==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-DEC-07 3BOX . COMPND 2 MOLECULE: L-RHAMNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,J.A.GERLT, . 804 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 46 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 6 0 1 1 4 0 4 2 0 0 2 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 2 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 . 5 2 2 0 0 0 2 2 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 . 3 1 2 0 0 0 2 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 4 A I 0 0 217 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.9 54.4 -4.5 76.0 2 5 A M - 0 0 108 1,-0.1 2,-0.5 147,-0.0 147,-0.0 -0.403 360.0-136.9 -67.3 135.5 54.3 -1.3 74.0 3 6 A T - 0 0 126 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.808 17.6-155.7 -95.7 131.3 54.7 1.9 76.0 4 7 A L - 0 0 46 -2,-0.5 2,-0.1 145,-0.0 141,-0.0 -0.896 8.4-132.8-112.2 138.3 52.4 4.8 75.2 5 8 A P - 0 0 23 0, 0.0 101,-1.7 0, 0.0 102,-0.2 -0.383 23.4-112.4 -81.7 162.0 53.0 8.5 75.8 6 9 A K B -A 105 0A 104 99,-0.2 68,-2.7 100,-0.1 2,-0.4 -0.494 37.5 -96.0 -88.1 163.6 50.5 10.9 77.3 7 10 A I E +B 73 0B 1 97,-3.7 96,-2.6 94,-0.3 66,-0.3 -0.684 40.4 178.8 -81.8 129.5 48.9 13.7 75.3 8 11 A K E + 0 0 48 64,-2.8 2,-0.3 -2,-0.4 65,-0.2 0.860 57.7 6.4 -98.9 -45.8 50.8 17.0 75.8 9 12 A H E -B 72 0B 70 63,-2.0 63,-3.4 93,-0.1 2,-0.4 -0.981 47.3-162.3-142.8 153.3 49.0 19.6 73.7 10 13 A V E -B 71 0B 0 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.997 19.6-179.5-132.5 133.6 46.0 20.1 71.5 11 14 A R E -B 70 0B 51 59,-2.4 59,-2.7 -2,-0.4 2,-0.4 -0.972 12.3-153.0-135.8 151.2 45.8 23.0 69.1 12 15 A A E +B 69 0B 0 -2,-0.3 388,-0.3 388,-0.3 2,-0.3 -0.978 14.0 172.8-129.3 139.7 43.2 24.3 66.6 13 16 A W E -B 68 0B 32 55,-2.5 55,-2.8 -2,-0.4 2,-0.3 -0.824 11.3-156.5-132.2 170.8 43.6 26.3 63.4 14 17 A F E -BC 67 397B 5 383,-1.4 383,-2.0 -2,-0.3 2,-0.3 -0.992 7.7-170.5-151.8 152.8 41.2 27.3 60.7 15 18 A I E +B 66 0B 10 51,-1.3 51,-2.8 -2,-0.3 381,-0.1 -0.947 59.9 11.2-137.9 156.1 41.3 28.3 57.0 16 19 A G S S+ 0 0 2 -2,-0.3 3,-0.3 49,-0.2 6,-0.2 -0.174 76.1 104.7 69.4-167.9 38.5 29.7 54.9 17 20 A G S > S- 0 0 6 45,-0.3 3,-1.6 4,-0.2 47,-0.2 -0.137 90.6 -50.9 85.5 175.5 35.2 30.9 56.4 18 21 A A T 3 S+ 0 0 41 45,-2.9 -1,-0.2 1,-0.3 46,-0.1 0.681 136.3 47.1 -61.8 -21.6 33.9 34.4 57.0 19 22 A T T 3 S+ 0 0 39 44,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.206 119.2 29.7-107.7 16.0 37.1 35.5 58.8 20 23 A A S < S- 0 0 32 -3,-1.6 2,-0.6 -5,-0.1 -3,-0.1 -0.581 109.3 -29.3-144.3-152.6 39.6 34.2 56.3 21 24 A E > - 0 0 118 -2,-0.2 3,-0.9 374,-0.2 -4,-0.2 -0.647 59.8-128.8 -81.6 115.7 39.9 33.5 52.5 22 25 A K T 3 S+ 0 0 106 -2,-0.6 -6,-0.1 1,-0.2 9,-0.1 -0.310 90.9 26.5 -60.4 138.6 36.6 32.6 50.8 23 26 A G T 3 S+ 0 0 26 39,-0.2 -1,-0.2 9,-0.1 10,-0.2 0.740 70.4 144.0 80.1 25.3 36.8 29.4 48.8 24 27 A A < - 0 0 26 -3,-0.9 2,-0.2 1,-0.2 8,-0.1 0.649 36.4-166.2 -70.2 -15.1 39.6 27.7 50.8 25 28 A G > + 0 0 0 6,-2.4 3,-1.0 3,-0.1 -1,-0.2 -0.457 40.5 113.0 65.9-129.4 38.0 24.3 50.3 26 29 A G T 3 S- 0 0 3 336,-2.6 336,-0.1 1,-0.2 -1,-0.1 -0.414 92.2 -2.8 67.5-133.9 39.6 21.8 52.6 27 30 A G T 3 S+ 0 0 1 56,-0.2 2,-1.1 -2,-0.2 -1,-0.2 0.834 121.4 74.5 -62.4 -37.0 37.3 20.4 55.3 28 31 A D X - 0 0 0 -3,-1.0 3,-1.9 55,-0.2 -1,-0.1 -0.710 67.3-164.3 -83.5 102.3 34.3 22.6 54.4 29 32 A Y T 3 S+ 0 0 3 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.1 0.780 87.3 50.8 -55.0 -31.2 33.0 21.0 51.2 30 33 A H T 3 S+ 0 0 9 31,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.359 77.9 98.1 -93.3 5.0 31.0 24.1 50.5 31 34 A D < + 0 0 0 -3,-1.9 -6,-2.4 -6,-0.1 2,-0.2 -0.503 61.6 134.3 -90.6 66.8 33.8 26.7 50.8 32 35 A Q - 0 0 9 -2,-1.6 -8,-0.2 1,-0.2 -9,-0.1 -0.475 54.1-111.3-107.5 179.0 34.3 26.8 47.1 33 36 A G - 0 0 32 1,-0.2 3,-0.4 -10,-0.2 -1,-0.2 0.117 54.4 -55.8 -90.2-151.0 34.8 29.5 44.5 34 37 A G S S+ 0 0 55 1,-0.2 -1,-0.2 -11,-0.0 3,-0.1 -0.375 111.2 29.3 -89.2 170.3 32.5 30.5 41.7 35 38 A N S S+ 0 0 169 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.853 80.4 149.4 50.1 42.6 30.9 28.4 38.9 36 39 A H > - 0 0 6 -3,-0.4 3,-2.0 1,-0.1 -1,-0.2 -0.877 52.7-135.7-106.3 137.0 31.0 25.3 41.1 37 40 A W G > S+ 0 0 19 315,-2.2 3,-1.7 -2,-0.4 -1,-0.1 0.846 103.4 68.2 -58.0 -33.5 28.3 22.6 40.6 38 41 A I G 3 S+ 0 0 7 1,-0.3 -1,-0.3 311,-0.1 18,-0.1 0.533 109.0 35.5 -66.0 -4.4 28.0 22.4 44.3 39 42 A D G < S+ 0 0 22 -3,-2.0 2,-1.2 16,-0.1 -1,-0.3 0.173 84.6 119.6-132.5 16.0 26.5 25.9 44.3 40 43 A D S < S- 0 0 86 -3,-1.7 15,-0.2 1,-0.2 14,-0.1 -0.662 100.6 -53.5 -91.6 87.7 24.5 25.9 41.1 41 44 A H S S+ 0 0 24 13,-2.5 2,-0.4 -2,-1.2 -1,-0.2 0.891 79.1 179.6 50.5 49.0 20.9 26.5 42.0 42 45 A I - 0 0 5 12,-0.3 148,-0.3 -4,-0.1 -1,-0.2 -0.662 32.0-112.3 -82.5 132.5 20.8 23.7 44.5 43 46 A A + 0 0 0 146,-2.5 184,-0.2 -2,-0.4 146,-0.2 -0.426 51.0 155.9 -65.7 135.2 17.4 23.2 46.3 44 47 A T > - 0 0 4 183,-0.2 3,-0.6 -2,-0.1 4,-0.3 -0.900 61.4 -90.3-149.6 174.3 17.5 24.1 50.0 45 48 A P T 3 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 476,-0.1 0.638 129.6 45.8 -67.1 -9.7 15.3 25.2 52.8 46 49 A M T > S+ 0 0 0 475,-0.2 3,-2.4 6,-0.1 6,-0.3 0.591 82.9 89.8-106.2 -15.8 16.2 28.7 51.7 47 50 A S T < S+ 0 0 2 -3,-0.6 6,-0.1 1,-0.3 -1,-0.1 0.575 72.7 76.4 -62.5 -5.1 15.8 28.5 47.9 48 51 A K T 3 S+ 0 0 105 -4,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.684 82.3 79.1 -76.6 -16.5 12.2 29.5 48.3 49 52 A Y S X S- 0 0 45 -3,-2.4 3,-1.9 1,-0.1 4,-0.5 -0.817 82.5-138.5 -93.4 125.6 13.5 33.1 48.8 50 53 A R G > S+ 0 0 210 -2,-0.5 3,-0.8 1,-0.3 4,-0.5 0.836 102.1 54.5 -52.6 -37.9 14.4 34.8 45.5 51 54 A D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.663 117.9 35.6 -72.4 -14.6 17.6 36.3 46.9 52 55 A Y G < S+ 0 0 23 -3,-1.9 -1,-0.2 -6,-0.3 -2,-0.2 0.212 92.3 91.2-123.8 16.1 18.8 32.9 48.1 53 56 A E S < S+ 0 0 49 -3,-0.8 -2,-0.1 -4,-0.5 -6,-0.1 0.897 87.2 43.4 -78.8 -42.8 17.6 30.6 45.3 54 57 A Q S S+ 0 0 103 -4,-0.5 -13,-2.5 1,-0.2 2,-0.4 0.865 118.1 33.6 -74.5 -36.5 20.6 30.6 42.9 55 58 A S > - 0 0 26 -15,-0.2 4,-0.5 -4,-0.2 -1,-0.2 -0.970 47.2-164.1-130.4 134.8 23.4 30.3 45.4 56 59 A R H >>>S+ 0 0 15 -2,-0.4 5,-1.7 1,-0.2 3,-0.9 0.820 98.9 63.4 -77.8 -29.8 23.8 28.5 48.8 57 60 A Q H >45S+ 0 0 27 1,-0.2 3,-0.9 3,-0.2 5,-0.3 0.868 93.0 65.1 -60.1 -33.0 26.9 30.6 49.3 58 61 A S H 345S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.827 103.9 42.8 -61.7 -32.8 24.5 33.6 49.3 59 62 A F H <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.540 128.8 -94.2 -91.1 -3.8 22.7 32.5 52.4 60 63 A G T X<5S+ 0 0 0 -3,-0.9 3,-1.4 -4,-0.7 4,-0.2 0.751 71.3 146.7 103.9 28.3 26.0 31.6 54.1 61 64 A I T 3 -B 7 0B 0 4,-3.0 3,-2.1 -2,-0.5 -66,-0.2 -0.372 31.8-104.3 -83.4 164.2 52.0 13.5 72.4 74 77 A E T 3 S+ 0 0 104 -68,-2.7 -67,-0.1 1,-0.3 -1,-0.1 0.748 122.3 59.5 -59.6 -23.8 54.8 13.9 75.0 75 78 A N T 3 S- 0 0 74 -69,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.245 120.5-109.9 -90.3 13.8 57.1 12.1 72.6 76 79 A R S < S+ 0 0 184 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.339 74.6 136.5 76.4 -5.2 56.5 14.9 70.0 77 80 A Q - 0 0 74 -5,-0.1 -4,-3.0 1,-0.0 2,-0.3 -0.444 38.4-155.1 -71.2 149.6 54.4 12.6 67.7 78 81 A T E -D 72 0B 43 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.911 19.0-171.6-130.7 157.1 51.3 14.2 66.3 79 82 A G E +D 71 0B 0 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.3 -0.960 16.0 175.6-138.7 151.9 47.9 13.3 64.9 80 83 A F E -D 70 0B 5 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.951 12.9-172.8-152.8 172.1 45.3 15.6 63.3 81 84 A A E -D 69 0B 0 -12,-1.6 -12,-2.3 -2,-0.3 2,-0.3 -0.971 14.2-138.5-162.0 161.3 42.0 15.8 61.5 82 85 A V E +D 68 0B 2 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.890 26.6 148.5-127.4 159.4 39.8 18.4 59.7 83 86 A S E -D 67 0B 3 -16,-1.8 -16,-2.5 -2,-0.3 2,-0.6 -0.899 51.5 -69.8-165.5-169.8 36.1 19.2 59.7 84 87 A T E S+D 66 0B 3 217,-0.3 -18,-0.2 -2,-0.3 48,-0.1 -0.897 89.0 85.2-105.7 113.1 33.7 22.1 59.2 85 88 A A >> - 0 0 1 -20,-1.3 4,-1.1 -2,-0.6 3,-0.6 0.227 54.1-177.5-173.5 -29.7 33.7 24.6 62.1 86 89 A G H 3> - 0 0 0 -21,-0.4 4,-1.6 -3,-0.4 3,-0.2 -0.133 65.0 -2.9 54.9-139.6 36.5 27.1 61.5 87 90 A E H 3> S+ 0 0 22 -23,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.881 134.3 50.8 -54.5 -48.4 37.1 29.9 64.0 88 91 A M H <> S+ 0 0 0 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.883 106.5 57.2 -60.9 -36.0 34.3 29.0 66.4 89 92 A G H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.914 103.3 53.7 -59.4 -41.2 35.5 25.4 66.4 90 93 A C H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.872 105.1 54.5 -61.1 -36.4 38.9 26.7 67.6 91 94 A F H X S+ 0 0 2 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.966 108.9 47.8 -60.6 -52.1 37.3 28.5 70.5 92 95 A I H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-1.1 0.902 116.8 42.6 -56.1 -45.7 35.6 25.3 71.6 93 96 A V H <>S+ 0 0 0 -4,-2.3 5,-1.6 3,-0.2 -2,-0.2 0.953 122.0 36.8 -67.3 -51.3 38.8 23.3 71.4 94 97 A E H <5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.762 126.2 35.8 -75.6 -27.5 41.2 25.8 72.9 95 98 A K H <5S+ 0 0 51 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.476 135.1 5.0-107.5 -3.8 38.9 27.3 75.6 96 99 A H T ><5S+ 0 0 0 -4,-1.1 3,-1.3 -5,-0.3 4,-0.3 0.480 121.1 47.6-139.0 -66.6 36.9 24.2 76.7 97 100 A L T >>< S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.2 -94,-0.3 0.951 91.9 76.4 -83.4 -58.1 42.3 16.0 76.2 102 105 A E T 3< S+ 0 0 52 -4,-2.2 -94,-0.2 1,-0.2 3,-0.1 -0.315 98.9 23.4 -64.6 134.6 45.6 17.1 77.7 103 106 A G T 3 S+ 0 0 55 -96,-2.6 -1,-0.2 1,-0.4 2,-0.1 0.304 96.3 117.3 96.0 -9.8 47.2 14.8 80.2 104 107 A K S < S- 0 0 33 -3,-1.6 -97,-3.7 1,-0.1 -1,-0.4 -0.434 74.0 -99.0 -86.2 163.9 45.4 11.7 79.0 105 108 A C B > -A 6 0A 19 -99,-0.3 3,-1.8 1,-0.1 -99,-0.2 -0.534 31.5-118.1 -78.0 149.1 47.0 8.6 77.5 106 109 A V T 3 S+ 0 0 1 -101,-1.7 39,-0.2 1,-0.3 3,-0.1 0.757 117.4 57.5 -60.4 -20.1 46.9 8.6 73.7 107 110 A S T 3 S+ 0 0 54 -102,-0.2 2,-1.8 1,-0.2 3,-0.5 0.609 78.0 92.7 -84.9 -12.3 44.7 5.4 74.1 108 111 A D <> + 0 0 53 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 -0.117 48.2 130.9 -74.6 43.8 42.1 7.2 76.2 109 112 A I H > + 0 0 4 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.943 69.0 42.9 -65.3 -50.8 40.0 7.9 73.1 110 113 A K H > S+ 0 0 154 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.827 113.5 53.9 -66.9 -29.7 36.6 6.7 74.3 111 114 A L H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 110.3 45.0 -67.8 -49.0 37.0 8.4 77.7 112 115 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.896 111.6 55.4 -61.3 -38.8 37.8 11.8 76.2 113 116 A H H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 108.1 46.5 -61.1 -45.7 34.9 11.3 73.8 114 117 A D H X S+ 0 0 57 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.899 112.6 50.9 -64.6 -40.5 32.4 10.7 76.6 115 118 A Q H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 108.6 50.6 -66.1 -38.8 33.7 13.7 78.5 116 119 A M H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.932 113.9 46.0 -64.4 -42.6 33.4 16.0 75.5 117 120 A L H X S+ 0 0 42 -4,-2.2 4,-0.6 -5,-0.2 3,-0.3 0.942 115.9 44.6 -64.6 -47.3 29.8 14.8 75.0 118 121 A G H >< S+ 0 0 6 -4,-2.9 3,-0.6 1,-0.2 4,-0.3 0.893 113.4 49.5 -65.2 -39.7 28.9 15.2 78.6 119 122 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.711 118.0 38.7 -74.2 -21.5 30.6 18.6 79.1 120 123 A T H >X S+ 0 0 0 -4,-1.3 3,-2.1 -3,-0.3 4,-1.9 0.322 81.1 106.0-109.1 4.1 29.0 20.2 76.1 121 124 A M H < S- 0 0 6 -4,-1.9 3,-1.5 407,-0.2 7,-0.4 0.728 71.5-147.1 -82.4 -22.0 25.8 21.2 71.6 125 128 A G T 3< - 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0 0 112 -3,-2.5 -24,-0.4 1,-0.2 2,-0.3 0.928 35.2-164.4 52.3 53.0 14.8 3.1 38.7 245 248 A L < - 0 0 1 -5,-0.9 -24,-0.2 -8,-0.2 -1,-0.2 -0.539 11.8-146.0 -65.1 127.9 16.1 5.8 40.9 246 249 A K - 0 0 55 -26,-2.6 26,-2.4 -2,-0.3 2,-0.3 0.918 67.3 -17.4 -66.5 -44.7 18.0 3.8 43.6 247 250 A W E -jk 221 272E 0 -27,-0.5 -25,-1.9 24,-0.2 2,-0.5 -0.993 50.8-131.7-159.4 160.3 17.3 6.2 46.5 248 251 A I E -jk 222 273E 1 24,-2.1 26,-2.0 -2,-0.3 2,-0.3 -0.985 35.4-142.7-118.8 124.4 16.1 9.7 47.4 249 252 A E E -jk 223 274E 0 -27,-3.4 -25,-2.6 -2,-0.5 26,-0.2 -0.727 54.4 -22.2-103.1 142.1 18.3 11.4 50.0 250 253 A E + 0 0 0 24,-1.6 -24,-3.1 -2,-0.3 -23,-0.4 0.821 64.1 165.7 34.2 58.2 17.7 13.8 52.9 251 254 A C + 0 0 0 23,-0.5 -23,-2.5 -3,-0.3 -1,-0.1 0.818 59.3 45.0 -67.3 -29.2 14.4 15.1 51.7 252 255 A L S S- 0 0 0 -25,-0.2 -26,-0.2 1,-0.1 -25,-0.2 -0.795 94.0 -90.3-121.7 158.4 13.6 16.6 55.1 253 256 A P > - 0 0 12 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.255 51.8-105.7 -56.4 151.0 15.2 18.7 57.9 254 257 A P T 3 S+ 0 0 11 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.749 114.4 58.3 -54.0 -32.8 16.8 16.4 60.5 255 258 A Q T 3 S+ 0 0 15 1,-0.2 2,-2.0 2,-0.1 3,-0.4 0.656 79.8 93.9 -76.0 -12.6 14.3 16.8 63.3 256 259 A Q <> + 0 0 50 -3,-1.6 4,-2.1 1,-0.2 3,-0.2 -0.235 39.5 145.7 -80.4 55.6 11.4 15.5 61.1 257 260 A Y H > S+ 0 0 19 -2,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.898 72.8 51.8 -54.2 -46.5 11.7 11.9 62.2 258 261 A E H > S+ 0 0 30 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.860 108.2 52.6 -61.8 -36.1 7.9 11.4 61.9 259 262 A G H > S+ 0 0 10 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 107.1 51.7 -67.4 -39.1 8.0 12.8 58.4 260 263 A Y H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.896 106.8 54.1 -64.5 -38.9 10.8 10.4 57.4 261 264 A R H X S+ 0 0 75 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.933 112.3 43.6 -60.5 -45.1 8.7 7.5 58.7 262 265 A E H X S+ 0 0 94 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.906 113.1 51.5 -67.2 -42.0 5.7 8.6 56.5 263 266 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.933 108.2 51.3 -61.5 -46.5 7.9 9.2 53.5 264 267 A K H < S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 110.8 49.3 -58.6 -37.2 9.5 5.8 53.7 265 268 A R H < S+ 0 0 183 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.811 112.9 47.3 -72.2 -27.6 6.1 4.3 53.8 266 269 A N H < S+ 0 0 65 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.621 87.9 116.6 -86.0 -16.2 5.0 6.3 50.8 267 270 A A S < S- 0 0 19 -4,-1.5 3,-0.1 -3,-0.2 -33,-0.1 -0.148 76.7 -96.2 -57.5 145.5 8.1 5.4 48.7 268 271 A P > - 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0 0 0 -5,-0.6 -1,-0.2 1,-0.1 -19,-0.2 -0.251 43.3-128.1 -62.5 155.3 14.7 4.5 56.4 294 297 A D S S+ 0 0 39 -21,-1.8 28,-1.8 1,-0.2 2,-0.4 0.866 82.7 24.1 -74.9 -41.1 17.0 2.3 54.4 295 298 A I E -lm 274 322E 0 -22,-1.0 -20,-1.7 26,-0.2 2,-0.5 -0.991 59.6-153.9-135.7 131.9 20.4 4.0 54.8 296 299 A M E -lm 275 323E 0 26,-2.2 28,-1.8 -2,-0.4 -20,-0.3 -0.870 12.5-166.4-100.7 134.1 21.8 6.3 57.4 297 300 A Q + 0 0 3 -22,-2.2 29,-0.2 -2,-0.5 -21,-0.1 -0.504 10.6 175.2-123.3 65.7 24.5 8.6 56.2 298 301 A P - 0 0 0 0, 0.0 28,-1.8 0, 0.0 2,-0.6 -0.322 31.9-126.7 -67.7 152.6 26.4 10.3 59.0 299 302 A D >> - 0 0 4 -22,-0.5 4,-2.9 -23,-0.3 3,-2.2 -0.898 17.2-137.6 -96.2 126.4 29.4 12.5 58.0 300 303 A V T 34>S+ 0 0 0 -2,-0.6 5,-0.6 26,-0.4 4,-0.4 0.837 103.5 50.0 -55.3 -33.0 32.3 11.1 60.2 301 304 A G T 345S+ 0 0 3 1,-0.1 -165,-0.3 2,-0.1 -1,-0.3 0.442 120.7 33.5 -86.3 0.9 33.4 14.7 60.9 302 305 A W T <45S+ 0 0 16 -3,-2.2 -2,-0.2 -167,-0.1 -174,-0.2 0.647 103.9 66.4-123.0 -29.2 29.9 15.9 61.9 303 306 A C T <5S- 0 0 0 -4,-2.9 -22,-2.3 -23,-0.1 -3,-0.1 0.606 125.9 -74.7 -73.3 -15.7 28.2 12.9 63.6 304 307 A G T 5S- 0 0 0 -4,-0.4 3,-0.2 -5,-0.3 4,-0.2 0.232 79.9 -86.5 136.1 -7.8 30.5 12.8 66.6 305 308 A G >< - 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