==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CLASS II ALDOLASE 03-JAN-00 1DXE . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXY-GALACTARATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.IZARD,N.C.BLACKWELL . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 6 0 6 0 4 4 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 8 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 D 0 0 196 0, 0.0 131,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.6 51.8 63.8 19.8 2 5 A V + 0 0 35 1,-0.1 4,-0.2 3,-0.1 130,-0.0 0.946 360.0 77.7 -61.3 -49.7 53.3 61.3 22.2 3 6 A F + 0 0 31 2,-0.1 2,-0.1 130,-0.1 -1,-0.1 -0.885 68.8 46.8-116.9 148.3 52.1 63.2 25.3 4 7 A P S S- 0 0 99 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.518 85.9-127.6 -73.3 157.2 49.6 63.7 26.7 5 8 A N > - 0 0 15 1,-0.2 4,-1.7 -2,-0.1 5,-0.1 -0.632 22.6-168.4 -74.5 104.2 48.6 60.0 26.9 6 9 A K H > S+ 0 0 174 -2,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.849 83.8 53.6 -64.3 -37.0 45.0 60.1 25.6 7 10 A F H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 106.9 51.5 -63.1 -47.8 44.3 56.5 26.6 8 11 A K H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 113.4 45.7 -56.5 -41.3 45.3 57.2 30.2 9 12 A A H X S+ 0 0 60 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.909 109.3 53.6 -70.1 -43.3 43.0 60.3 30.3 10 13 A A H <>S+ 0 0 12 -4,-2.6 5,-2.2 1,-0.2 -2,-0.2 0.911 109.2 50.5 -57.9 -42.8 40.1 58.5 28.7 11 14 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.939 110.1 48.5 -60.0 -49.0 40.4 55.8 31.4 12 15 A A H 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.1 59.3 -60.8 -33.7 40.4 58.4 34.1 13 16 A A T 3<5S- 0 0 63 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.410 115.2-119.4 -76.0 2.6 37.4 60.1 32.6 14 17 A K T < 5 + 0 0 141 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.737 58.5 157.9 65.1 25.6 35.6 56.7 33.0 15 18 A Q < - 0 0 108 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.621 48.9-105.2 -83.6 139.5 35.0 56.4 29.3 16 19 A V - 0 0 74 -2,-0.3 2,-0.5 214,-0.1 214,-0.2 -0.417 34.7-164.8 -64.6 131.8 34.4 52.9 27.9 17 20 A Q E -a 230 0A 20 212,-3.0 214,-1.3 -2,-0.1 2,-0.5 -0.971 6.2-152.6-123.7 114.1 37.4 51.6 26.1 18 21 A I E -a 231 0A 6 -2,-0.5 21,-2.4 212,-0.2 22,-1.3 -0.764 23.4-176.4 -89.9 123.5 36.9 48.5 23.8 19 22 A G E -ab 232 40A 0 212,-2.5 214,-2.6 -2,-0.5 2,-0.4 -0.703 21.7-152.5-120.8 170.8 39.9 46.4 23.4 20 23 A C E - b 0 41A 1 20,-1.6 22,-2.2 -2,-0.2 215,-0.3 -0.998 21.4-126.4-141.3 134.9 41.3 43.3 21.6 21 24 A W E -ab 235 42A 11 213,-2.9 215,-2.5 -2,-0.4 2,-0.4 -0.447 20.0-151.0 -76.7 152.9 44.1 41.0 22.7 22 25 A S E + b 0 43A 0 20,-2.6 22,-2.3 213,-0.2 26,-0.1 -0.971 35.8 143.7-133.0 119.7 47.0 40.3 20.4 23 26 A A + 0 0 15 -2,-0.4 -1,-0.1 20,-0.1 20,-0.1 0.376 47.9 97.4-129.9 -3.4 48.9 37.0 20.4 24 27 A L S S- 0 0 0 24,-0.1 259,-0.3 2,-0.1 258,-0.2 0.622 72.3-152.7 -67.0 -10.5 49.7 36.5 16.7 25 28 A S + 0 0 11 1,-0.1 257,-0.1 257,-0.1 -1,-0.1 0.770 52.4 98.6 44.3 46.3 53.1 38.0 17.4 26 29 A N S > S- 0 0 10 1,-0.1 4,-1.3 254,-0.1 5,-0.1 -0.986 71.3-128.0-155.8 150.6 54.0 39.5 14.0 27 30 A P H > S+ 0 0 50 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.727 99.1 65.8 -72.8 -24.0 53.8 42.9 12.3 28 31 A I H > S+ 0 0 57 2,-0.2 4,-1.2 250,-0.2 3,-0.1 0.987 111.5 29.5 -65.1 -59.7 51.8 41.8 9.2 29 32 A S H > S+ 0 0 0 249,-0.3 4,-2.7 1,-0.2 5,-0.2 0.865 117.7 59.1 -69.8 -34.3 48.6 40.8 10.9 30 33 A T H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.871 100.4 55.9 -64.7 -32.2 49.0 43.3 13.6 31 34 A E H < S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.928 110.7 45.5 -63.3 -39.9 49.1 46.1 11.1 32 35 A V H >< S+ 0 0 19 -4,-1.2 3,-2.0 1,-0.2 4,-0.4 0.917 108.0 57.1 -66.5 -42.3 45.7 44.9 9.8 33 36 A L H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 5,-0.4 0.839 97.1 64.4 -57.3 -34.0 44.4 44.6 13.4 34 37 A G T 3< S+ 0 0 6 -4,-1.8 32,-0.5 1,-0.2 33,-0.4 0.592 93.6 61.4 -68.2 -9.3 45.2 48.3 13.9 35 38 A L T < S+ 0 0 107 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.594 81.4 83.5 -91.4 -12.2 42.6 49.2 11.3 36 39 A A S < S- 0 0 2 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.715 97.5-121.1 -65.0 -25.9 39.7 47.7 13.2 37 40 A G + 0 0 28 -3,-0.3 -19,-0.1 -4,-0.3 -3,-0.1 0.613 50.3 161.3 95.3 10.8 39.1 50.7 15.4 38 41 A F - 0 0 1 -5,-0.4 -1,-0.2 1,-0.1 -19,-0.2 -0.357 42.9-133.2 -63.1 148.6 39.6 49.1 18.8 39 42 A D S S+ 0 0 34 -21,-2.4 29,-2.4 1,-0.2 2,-0.3 0.816 87.1 10.2 -73.2 -30.7 40.3 51.7 21.5 40 43 A W E -bc 19 68A 0 -22,-1.3 -20,-1.6 27,-0.3 2,-0.4 -0.995 62.4-156.2-149.0 149.8 43.2 49.6 22.8 41 44 A L E -bc 20 69A 0 27,-2.3 29,-2.8 -2,-0.3 2,-0.8 -0.997 14.1-143.4-128.4 129.1 45.2 46.5 21.8 42 45 A V E -bc 21 70A 0 -22,-2.2 -20,-2.6 -2,-0.4 2,-1.1 -0.822 3.7-157.4 -98.5 108.2 47.1 44.3 24.2 43 46 A L E -bc 22 71A 0 27,-2.7 29,-1.9 -2,-0.8 2,-0.5 -0.741 26.2-140.3 -82.3 102.8 50.3 42.9 22.8 44 47 A D E + c 0 72A 5 -22,-2.3 6,-0.5 -2,-1.1 4,-0.2 -0.553 34.9 167.7 -74.1 117.2 50.6 39.9 25.1 45 48 A G S S+ 0 0 12 27,-2.5 -1,-0.1 -2,-0.5 28,-0.1 0.328 74.0 56.3-108.1 4.2 54.1 39.1 26.4 46 49 A E S S+ 0 0 42 26,-0.2 27,-0.1 27,-0.1 -1,-0.1 0.808 122.4 14.4-102.5 -40.3 53.0 36.6 29.0 47 50 A H S S+ 0 0 126 25,-0.1 -2,-0.1 2,-0.0 -24,-0.0 0.305 117.5 66.0-121.2 8.0 51.0 34.0 27.1 48 51 A A S S- 0 0 12 -4,-0.2 2,-2.6 2,-0.1 -24,-0.1 -0.906 94.2-100.7-126.4 155.2 51.9 34.7 23.5 49 52 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.196 76.2 132.4 -73.1 52.4 55.3 34.4 21.7 50 53 A N + 0 0 12 -2,-2.6 2,-0.3 -6,-0.5 -2,-0.1 -0.772 19.3 144.2-104.7 151.3 56.0 38.1 22.0 51 54 A D >> - 0 0 74 -2,-0.3 4,-3.1 -26,-0.0 3,-1.7 -0.926 66.8 -66.1-165.6 179.4 59.2 39.8 23.1 52 55 A I H 3> S+ 0 0 34 1,-0.3 4,-1.8 -2,-0.3 -1,-0.0 0.866 129.5 57.0 -46.6 -43.2 61.3 42.9 22.3 53 56 A S H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.783 117.4 32.6 -62.5 -28.6 62.1 41.5 18.9 54 57 A T H <> S+ 0 0 24 -3,-1.7 4,-1.6 2,-0.1 -2,-0.2 0.716 111.3 65.1 -98.1 -26.5 58.4 41.2 18.0 55 58 A F H X S+ 0 0 5 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.914 98.8 49.9 -64.0 -46.9 57.2 44.2 19.9 56 59 A I H X S+ 0 0 47 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.921 109.7 50.9 -62.1 -43.8 59.0 46.9 18.0 57 60 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.912 114.0 45.5 -60.2 -39.0 57.9 45.6 14.6 58 61 A Q H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.845 109.9 52.8 -73.3 -33.1 54.3 45.6 15.8 59 62 A L H < S+ 0 0 12 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.918 111.3 47.8 -67.6 -39.1 54.5 49.0 17.4 60 63 A M H >< S+ 0 0 102 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.902 108.4 54.8 -65.7 -38.4 55.8 50.3 14.0 61 64 A A H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 107.7 51.0 -62.1 -32.1 52.9 48.5 12.4 62 65 A L T >< S+ 0 0 9 -4,-1.6 3,-2.5 -5,-0.1 -1,-0.3 0.441 76.9 123.2 -87.2 -1.0 50.5 50.4 14.6 63 66 A K T < S+ 0 0 131 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.0 -0.447 82.1 20.9 -60.5 126.6 51.9 53.8 13.9 64 67 A G T 3 S+ 0 0 87 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.279 95.8 123.1 97.0 -14.0 49.0 55.8 12.6 65 68 A S < - 0 0 32 -3,-2.5 -1,-0.4 2,-0.1 -30,-0.1 -0.564 63.2-138.7 -80.4 148.5 46.4 53.5 14.2 66 69 A A S S+ 0 0 99 -32,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.607 74.5 107.0 -80.8 -10.8 43.9 55.1 16.6 67 70 A S S S- 0 0 5 -33,-0.4 -27,-0.3 -5,-0.1 -28,-0.2 -0.493 73.0-129.1 -73.0 131.9 44.3 52.1 18.9 68 71 A A E -c 40 0A 16 -29,-2.4 -27,-2.3 -2,-0.2 2,-0.3 -0.692 24.1-130.8 -81.4 121.6 46.4 52.6 22.1 69 72 A P E -c 41 0A 35 0, 0.0 21,-0.4 0, 0.0 2,-0.4 -0.556 26.8-175.3 -74.8 135.7 49.1 49.9 22.3 70 73 A V E -c 42 0A 0 -29,-2.8 -27,-2.7 -2,-0.3 2,-0.4 -0.997 12.8-148.8-132.9 128.5 49.2 48.1 25.7 71 74 A V E -cd 43 92A 0 20,-2.3 22,-2.7 -2,-0.4 2,-0.8 -0.829 3.3-151.7 -99.8 134.4 51.8 45.6 26.6 72 75 A R E -cd 44 93A 18 -29,-1.9 -27,-2.5 -2,-0.4 -26,-0.2 -0.912 27.7-138.4-102.2 106.2 50.9 42.8 29.0 73 76 A V - 0 0 0 20,-1.5 -27,-0.1 -2,-0.8 3,-0.1 -0.194 13.0-120.1 -64.0 155.8 54.3 42.0 30.6 74 77 A P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.812 90.4 -16.5 -66.4 -29.3 55.5 38.4 31.3 75 78 A T S S- 0 0 78 2,-0.1 2,-1.4 20,-0.0 6,-0.1 -0.970 77.6 -89.3-167.0 163.1 55.7 39.2 35.0 76 79 A N S S+ 0 0 30 -2,-0.3 30,-0.1 19,-0.2 18,-0.0 -0.657 71.9 126.4 -87.2 89.5 55.8 42.1 37.4 77 80 A E > - 0 0 56 -2,-1.4 4,-1.3 1,-0.1 3,-0.2 -0.995 62.7-123.4-143.9 144.7 59.5 42.8 37.7 78 81 A P H > S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.790 99.4 60.3 -59.5 -35.4 61.5 46.1 37.2 79 82 A V H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 106.9 40.2 -65.8 -53.0 64.0 45.0 34.5 80 83 A I H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 116.2 53.0 -66.5 -32.5 61.6 43.9 31.7 81 84 A I H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.925 106.4 53.1 -67.0 -42.3 59.4 46.9 32.4 82 85 A K H X S+ 0 0 87 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.952 113.3 44.0 -54.6 -50.5 62.5 49.2 32.1 83 86 A R H X S+ 0 0 126 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.868 111.6 51.6 -64.9 -39.8 63.2 47.7 28.7 84 87 A L H <>S+ 0 0 1 -4,-2.5 5,-1.7 1,-0.2 4,-0.3 0.831 105.7 57.1 -68.8 -31.1 59.6 47.8 27.5 85 88 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.958 106.8 47.2 -63.7 -50.4 59.3 51.5 28.4 86 89 A D H 3<5S+ 0 0 30 -4,-1.6 40,-1.9 1,-0.3 39,-0.5 0.802 103.3 61.9 -63.9 -29.6 62.3 52.5 26.3 87 90 A I T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 38,-0.2 -2,-0.2 0.518 129.5 -88.3 -74.4 -4.9 61.1 50.5 23.2 88 91 A G T < 5S+ 0 0 8 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.642 77.4 139.7 113.6 12.8 58.0 52.7 23.2 89 92 A F < + 0 0 2 -5,-1.7 -1,-0.3 -4,-0.2 -19,-0.1 -0.787 15.7 171.3 -91.7 133.0 55.2 51.3 25.4 90 93 A Y + 0 0 45 -2,-0.4 54,-2.6 -21,-0.4 2,-0.4 0.406 65.3 59.0-115.3 -4.6 53.2 53.9 27.4 91 94 A N E - e 0 144A 5 -22,-0.3 -20,-2.3 52,-0.2 2,-0.4 -0.997 66.6-168.1-130.8 130.3 50.5 51.6 28.7 92 95 A F E -de 71 145A 0 52,-3.1 54,-2.7 -2,-0.4 2,-0.5 -0.938 18.0-160.7-126.9 143.9 51.1 48.5 30.8 93 96 A L E -de 72 146A 0 -22,-2.7 -20,-1.5 -2,-0.4 54,-0.2 -0.985 20.4-157.4-117.3 116.5 49.0 45.5 32.0 94 97 A I E - e 0 147A 0 52,-3.1 54,-2.7 -2,-0.5 3,-0.3 -0.864 8.1-141.5-103.1 116.9 50.7 43.8 35.0 95 98 A P S S+ 0 0 3 0, 0.0 -19,-0.2 0, 0.0 54,-0.0 -0.315 73.5 10.4 -73.9 159.7 49.8 40.1 35.7 96 99 A F + 0 0 77 1,-0.2 2,-0.8 -21,-0.1 -20,-0.2 0.877 66.9 178.5 35.0 75.0 49.4 38.7 39.1 97 100 A V + 0 0 0 51,-2.4 -1,-0.2 -3,-0.3 54,-0.2 -0.913 12.0 160.3-100.3 104.0 49.3 41.9 41.3 98 101 A E + 0 0 51 -2,-0.8 2,-0.3 51,-0.1 59,-0.2 0.615 48.9 31.9-108.5 -17.2 48.7 40.4 44.7 99 102 A T S > S- 0 0 19 1,-0.1 4,-1.9 61,-0.1 5,-0.2 -0.917 74.5-111.7-140.1 166.8 49.8 43.0 47.2 100 103 A K H > S+ 0 0 90 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.914 119.1 54.2 -61.6 -43.5 50.0 46.7 47.9 101 104 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 107.8 48.7 -57.6 -45.4 53.8 46.5 47.7 102 105 A E H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 110.8 50.4 -65.1 -35.5 53.7 44.8 44.3 103 106 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 111.1 49.4 -67.9 -41.8 51.3 47.4 43.0 104 107 A E H X S+ 0 0 89 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.898 110.0 50.9 -63.2 -41.3 53.7 50.1 44.3 105 108 A L H X S+ 0 0 92 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.884 107.9 52.5 -64.6 -39.8 56.7 48.4 42.6 106 109 A A H < S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.940 112.6 44.6 -61.8 -47.2 54.8 48.2 39.3 107 110 A V H >< S+ 0 0 9 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.950 113.8 49.6 -61.7 -48.3 54.1 51.9 39.4 108 111 A A H >< S+ 0 0 20 -4,-2.7 9,-2.1 1,-0.3 3,-1.4 0.814 99.1 67.1 -60.8 -32.5 57.6 52.8 40.5 109 112 A S T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 10,-0.2 0.705 104.5 45.3 -62.7 -17.9 59.1 50.6 37.7 110 113 A T T < S+ 0 0 0 -3,-1.7 2,-0.4 -4,-0.5 -1,-0.3 0.401 101.8 76.7-106.9 1.6 57.6 53.2 35.2 111 114 A R S < S- 0 0 30 -3,-1.4 7,-2.5 -4,-0.3 29,-0.0 -0.940 75.1-125.0-120.7 136.2 58.7 56.4 36.9 112 115 A Y >> - 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0 0 35 -5,-3.1 3,-2.4 -6,-0.2 -4,-0.2 -0.339 50.1-174.1-133.4 53.3 36.5 45.9 -16.1 438 187 B L T 3 S+ 0 0 149 -5,-0.3 -8,-0.1 1,-0.3 -9,-0.1 -0.226 76.8 5.2 -50.7 128.2 39.1 46.6 -13.4 439 188 B G T 3 S+ 0 0 79 -10,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.647 114.0 90.7 69.5 16.5 37.6 45.9 -10.0 440 189 B N X + 0 0 71 -3,-2.4 3,-1.8 -11,-0.2 6,-0.2 -0.427 33.8 153.5-141.3 63.0 34.3 44.6 -11.4 441 190 B A T 3 S+ 0 0 27 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.680 71.4 69.8 -65.3 -16.3 34.6 40.8 -11.9 442 191 B S T 3 S+ 0 0 71 4,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.552 70.3 117.9 -79.0 -7.4 30.8 40.6 -11.6 443 192 B H S X> S- 0 0 55 -3,-1.8 4,-2.5 -6,-0.2 3,-0.8 -0.329 77.3-119.8 -59.9 141.1 30.3 42.4 -15.0 444 193 B P H 3> S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.861 112.0 59.8 -50.6 -41.0 28.5 40.1 -17.4 445 194 B D H 3> S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.903 111.6 40.3 -54.8 -43.4 31.5 40.2 -19.9 446 195 B V H <> S+ 0 0 0 -3,-0.8 4,-2.4 -6,-0.2 -1,-0.2 0.921 112.9 52.8 -73.0 -45.6 33.7 38.7 -17.2 447 196 B Q H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.899 109.4 51.6 -57.2 -40.6 31.1 36.2 -15.9 448 197 B K H X S+ 0 0 121 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.895 108.9 49.3 -63.9 -40.8 30.7 35.0 -19.4 449 198 B A H X S+ 0 0 14 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.888 109.5 53.1 -66.4 -38.6 34.4 34.4 -19.9 450 199 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.955 109.7 46.6 -61.7 -50.4 34.6 32.5 -16.6 451 200 B Q H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 112.5 51.7 -58.5 -42.4 31.8 30.2 -17.6 452 201 B H H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.1 49.6 -60.0 -45.4 33.5 29.7 -21.0 453 202 B I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.914 110.7 50.2 -60.4 -43.5 36.8 28.9 -19.3 454 203 B F H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.914 110.4 50.9 -60.8 -43.7 35.1 26.4 -17.1 455 204 B N H X S+ 0 0 84 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.910 110.5 47.4 -61.2 -44.7 33.5 24.8 -20.1 456 205 B R H X S+ 0 0 83 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.823 108.7 54.6 -69.3 -30.1 36.7 24.4 -22.0 457 206 B A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.2 3,-0.8 0.953 110.5 47.0 -65.4 -46.4 38.5 22.9 -19.0 458 207 B S H ><5S+ 0 0 92 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.868 104.8 60.5 -60.8 -39.3 35.8 20.3 -18.8 459 208 B A H 3<5S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.0 43.9 -60.7 -28.1 36.0 19.7 -22.6 460 209 B H T <<5S- 0 0 61 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.130 119.5-107.8-104.6 18.5 39.7 18.6 -22.1 461 210 B G T < 5S+ 0 0 45 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.707 77.9 128.3 65.4 22.9 39.1 16.6 -19.0 462 211 B K < - 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