==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-DEC-97 1A05 . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR K.IMADA,K.INAGAKI,H.MATSUNAMI,H.KAWAGUCHI,H.TANAKA,N.TANAKA, . 714 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 8.1 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 . 4 0.6 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 . 39 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 2 0 0 1 1 2 4 1 1 5 0 1 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 3 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 PARALLEL BRIDGES PER LADDER . 1 0 3 0 3 0 2 0 1 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 1 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 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 0 125 0, 0.0 2,-0.4 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 128.1 4.4 22.0 74.1 2 2 A K - 0 0 73 31,-0.4 34,-2.9 32,-0.2 2,-0.5 -0.858 360.0-144.1-105.0 134.6 5.1 22.2 70.3 3 3 A K E -a 36 0A 69 -2,-0.4 63,-2.9 32,-0.2 64,-1.7 -0.852 12.7-167.0 -98.8 129.6 8.2 20.8 68.7 4 4 A I E -ab 37 67A 0 32,-3.0 34,-2.8 -2,-0.5 2,-0.5 -0.975 7.0-154.2-119.4 120.9 9.7 22.7 65.8 5 5 A A E -ab 38 68A 0 62,-2.2 64,-2.6 -2,-0.5 2,-0.5 -0.847 12.8-154.4 -94.8 131.8 12.4 21.0 63.6 6 6 A I E +ab 39 69A 1 32,-3.5 34,-3.7 -2,-0.5 2,-0.3 -0.939 20.8 174.2-115.1 128.8 14.7 23.4 61.9 7 7 A F E + b 0 70A 0 62,-2.9 64,-1.8 -2,-0.5 65,-0.2 -0.737 2.1 177.1-131.1 80.6 16.7 22.7 58.7 8 8 A A E + 0 0 21 -2,-0.3 64,-2.3 32,-0.3 2,-0.3 0.899 25.8 179.4 -51.1 -48.9 18.4 25.9 57.7 9 9 A G E - b 0 72A 11 31,-0.3 64,-0.2 62,-0.2 2,-0.2 -0.591 27.4 -13.3 90.7-142.2 20.1 24.3 54.7 10 10 A D S > S- 0 0 5 62,-2.5 3,-2.2 -2,-0.3 2,-0.2 -0.577 98.6 -9.5-106.3 164.2 22.5 25.7 52.1 11 11 A G T 3 S- 0 0 25 1,-0.3 4,-0.4 -2,-0.2 275,-0.2 -0.338 133.2 -1.6 58.9-120.9 23.6 29.2 51.0 12 12 A I T 3> S+ 0 0 6 268,-1.9 4,-2.3 -2,-0.2 5,-0.3 0.396 111.5 97.4 -81.6 0.3 21.6 32.0 52.5 13 13 A G H <> S+ 0 0 0 -3,-2.2 4,-1.5 267,-0.2 -1,-0.2 0.934 80.6 47.7 -54.3 -55.4 19.5 29.4 54.2 14 14 A P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.899 115.5 43.5 -54.7 -46.8 21.4 29.6 57.6 15 15 A E H > S+ 0 0 34 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.846 112.4 49.6 -72.6 -36.5 21.4 33.4 57.8 16 16 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.789 112.7 50.0 -72.3 -26.9 17.7 34.0 56.8 17 17 A V H X S+ 0 0 6 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.885 108.0 52.3 -76.2 -39.5 16.7 31.4 59.3 18 18 A A H X S+ 0 0 56 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.949 111.2 47.8 -60.1 -48.0 18.7 33.0 62.1 19 19 A A H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 3,-0.2 0.907 114.8 44.9 -59.4 -44.6 17.0 36.3 61.3 20 20 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.774 107.2 59.8 -71.0 -28.1 13.6 34.7 61.3 21 21 A R H X S+ 0 0 63 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.829 98.1 59.4 -69.4 -31.2 14.4 32.8 64.5 22 22 A Q H X S+ 0 0 47 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.973 110.4 41.9 -57.6 -53.4 15.0 36.2 66.2 23 23 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.878 115.3 50.4 -59.5 -43.5 11.4 37.0 65.4 24 24 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 110.4 48.5 -62.0 -50.2 10.1 33.5 66.3 25 25 A D H X S+ 0 0 63 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.840 111.1 53.5 -59.4 -33.7 11.9 33.5 69.7 26 26 A A H X S+ 0 0 14 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.916 110.1 44.2 -67.7 -47.2 10.4 37.0 70.3 27 27 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.879 111.9 55.7 -65.9 -37.2 6.8 35.9 69.7 28 28 A D H X>S+ 0 0 26 -4,-2.5 4,-1.7 2,-0.2 5,-1.1 0.909 110.5 43.7 -60.3 -47.2 7.5 32.8 71.8 29 29 A Q H <5S+ 0 0 137 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.926 117.9 44.1 -64.6 -49.1 8.6 34.8 74.8 30 30 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.940 124.6 33.3 -61.8 -50.7 5.8 37.3 74.5 31 31 A A H <5S- 0 0 26 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.647 100.4-132.7 -81.3 -19.6 3.0 34.8 73.8 32 32 A H T <5 + 0 0 152 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.974 43.6 161.4 62.5 56.7 4.5 32.0 76.0 33 33 A L < - 0 0 47 -5,-1.1 -31,-0.4 -6,-0.1 -4,-0.1 0.740 39.2-141.4 -78.3 -25.9 4.1 29.3 73.4 34 34 A G + 0 0 47 -6,-0.4 -32,-0.2 1,-0.2 -5,-0.1 0.823 34.4 177.0 66.6 31.8 6.6 27.0 75.1 35 35 A L - 0 0 22 -34,-0.2 2,-0.5 -32,-0.1 -32,-0.2 -0.345 22.3-150.1 -68.3 145.9 8.0 25.9 71.8 36 36 A R E -a 3 0A 144 -34,-2.9 -32,-3.0 -2,-0.1 2,-0.4 -0.993 14.8-162.7-119.4 120.2 10.9 23.5 71.7 37 37 A C E -a 4 0A 32 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.899 7.9-175.0-109.7 139.1 13.1 23.9 68.6 38 38 A T E -a 5 0A 49 -34,-2.8 -32,-3.5 -2,-0.4 2,-0.4 -0.970 16.7-135.9-130.0 143.3 15.6 21.4 67.3 39 39 A E E +a 6 0A 140 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.865 23.2 174.5-105.9 135.4 18.1 21.7 64.4 40 40 A G - 0 0 15 -34,-3.7 2,-0.3 -2,-0.4 -31,-0.3 -0.918 30.4-108.6-133.3 158.2 18.8 19.1 61.8 41 41 A L + 0 0 83 -2,-0.3 2,-0.3 -34,-0.1 17,-0.1 -0.661 38.2 167.5 -90.8 142.2 20.8 19.0 58.6 42 42 A V >> - 0 0 0 -2,-0.3 3,-1.1 12,-0.1 4,-0.6 -0.968 45.6 -1.6-147.1 158.4 19.3 18.9 55.1 43 43 A G H 3> S- 0 0 0 10,-2.2 4,-1.4 44,-0.3 9,-0.2 -0.353 125.9 -9.2 65.4-133.2 20.4 19.4 51.5 44 44 A G H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.748 134.0 59.1 -71.5 -28.0 24.1 20.2 50.9 45 45 A A H <> S+ 0 0 23 -3,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.865 108.7 47.5 -67.3 -34.8 24.8 20.8 54.6 46 46 A A H X S+ 0 0 0 -4,-0.6 4,-3.3 2,-0.2 6,-0.7 0.822 110.0 51.2 -73.0 -36.7 23.7 17.2 55.1 47 47 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 4,-0.3 -2,-0.2 0.896 107.5 54.7 -66.0 -41.0 25.8 15.9 52.2 48 48 A D H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 122.7 26.8 -61.4 -33.4 28.8 17.7 53.7 49 49 A A H < S+ 0 0 66 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.769 141.6 14.8-101.7 -31.4 28.4 15.9 57.0 50 50 A S H < S- 0 0 68 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.356 88.3-121.7-128.6 4.8 26.6 12.7 56.1 51 51 A D S < S+ 0 0 80 -4,-2.0 -4,-0.3 -5,-0.4 -3,-0.1 0.866 86.7 95.1 53.2 36.5 27.0 12.2 52.3 52 52 A D S S- 0 0 46 -6,-0.7 -2,-0.2 -9,-0.2 -3,-0.2 -0.927 73.6-139.0-156.5 130.3 23.2 12.1 52.2 53 53 A P S S+ 0 0 0 0, 0.0 -10,-2.2 0, 0.0 -7,-0.2 0.571 101.4 18.6 -68.3 -11.1 20.7 15.0 51.5 54 54 A L S S- 0 0 3 -12,-0.2 -12,-0.1 -8,-0.1 5,-0.1 -0.497 83.5-155.9-159.9 77.7 18.2 13.8 54.2 55 55 A P > - 0 0 17 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.119 30.7-109.7 -55.6 155.6 19.8 11.5 56.7 56 56 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 120.6 53.6 -55.2 -37.6 17.5 9.1 58.7 57 57 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 108.1 49.2 -66.1 -40.0 18.1 11.1 61.8 58 58 A S H > S+ 0 0 10 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.903 111.9 50.2 -66.0 -40.0 17.1 14.3 60.1 59 59 A L H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 110.3 47.3 -66.2 -43.5 13.9 12.6 58.8 60 60 A Q H X S+ 0 0 131 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.861 108.7 56.4 -68.1 -32.0 12.9 11.2 62.2 61 61 A L H X S+ 0 0 42 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.959 110.7 43.8 -61.1 -48.8 13.5 14.6 63.7 62 62 A A H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.855 112.6 52.2 -63.5 -39.9 11.0 16.1 61.2 63 63 A M H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.9 51.0 -64.4 -37.7 8.6 13.2 61.7 64 64 A A H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.600 99.8 87.4 -76.8 -11.6 8.6 13.8 65.5 65 65 A A << - 0 0 7 -4,-0.7 -61,-0.2 -3,-0.6 3,-0.1 -0.378 66.9-145.9 -90.8 163.6 7.9 17.6 65.1 66 66 A D S S+ 0 0 44 -63,-2.9 2,-0.3 1,-0.3 206,-0.2 0.823 89.4 18.4 -91.4 -39.9 4.7 19.6 64.9 67 67 A A E -b 4 0A 0 -64,-1.7 -62,-2.2 204,-0.2 2,-0.4 -0.980 68.8-151.7-134.9 143.3 6.1 22.2 62.5 68 68 A V E -bc 5 273A 1 204,-2.5 206,-3.4 -2,-0.3 2,-0.5 -0.950 4.8-163.4-118.7 134.1 9.1 22.2 60.2 69 69 A I E -bc 6 274A 10 -64,-2.6 -62,-2.9 -2,-0.4 2,-0.4 -0.974 9.2-176.5-117.1 128.6 11.1 25.3 59.1 70 70 A L E -b 7 0A 0 204,-2.7 -62,-0.2 -2,-0.5 3,-0.1 -0.987 13.8-168.4-127.6 134.6 13.4 25.1 56.2 71 71 A G E - 0 0 1 -64,-1.8 2,-0.3 -2,-0.4 -62,-0.2 0.936 59.0 -49.5 -81.0 -76.2 15.7 27.8 54.9 72 72 A A E -b 9 0A 5 -64,-2.3 -62,-2.5 -65,-0.2 2,-0.3 -0.991 40.5-153.4-162.5 156.1 17.0 26.7 51.5 73 73 A V + 0 0 22 -2,-0.3 207,-0.5 -64,-0.2 2,-0.1 -0.986 48.1 62.4-135.0 143.7 18.6 23.8 49.7 74 74 A G + 0 0 7 -2,-0.3 -30,-0.1 205,-0.1 3,-0.0 -0.342 31.8 153.9 124.8 156.8 20.8 23.8 46.6 75 75 A G > - 0 0 20 -2,-0.1 3,-1.7 -65,-0.1 -1,-0.1 -0.576 51.6-105.1 153.6 143.7 24.1 24.9 45.2 76 76 A P G > S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.581 104.4 84.2 -64.1 -10.8 26.7 24.0 42.5 77 77 A R G 3 S+ 0 0 179 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.740 94.3 45.6 -63.2 -21.8 29.0 22.7 45.2 78 78 A W G X S+ 0 0 19 -3,-1.7 3,-1.2 1,-0.2 -1,-0.3 0.190 77.2 101.8-110.5 18.4 27.1 19.4 45.0 79 79 A D T < S+ 0 0 93 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.804 73.4 67.9 -69.4 -28.2 26.8 18.9 41.3 80 80 A A T 3 S+ 0 0 102 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.560 87.6 94.4 -67.6 -8.3 29.6 16.3 41.5 81 81 A Y S < S- 0 0 53 -3,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.540 89.3 -96.7 -87.2 150.9 27.1 14.2 43.4 82 82 A P > - 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.291 39.1-108.8 -62.1 150.9 24.8 11.5 41.9 83 83 A P G > S+ 0 0 52 0, 0.0 3,-1.2 0, 0.0 6,-0.1 0.830 118.6 56.5 -51.1 -38.3 21.3 12.7 41.0 84 84 A A G 3 S+ 0 0 73 1,-0.2 -3,-0.0 5,-0.0 0, 0.0 0.668 109.2 47.9 -70.9 -15.2 19.7 10.6 43.8 85 85 A K G < S+ 0 0 67 -3,-1.9 -1,-0.2 -33,-0.1 5,-0.1 0.293 81.2 127.9-108.1 8.8 22.0 12.4 46.3 86 86 A R S X> S- 0 0 59 -3,-1.2 3,-2.1 -4,-0.3 4,-0.6 -0.329 71.8-109.2 -67.8 147.3 21.4 16.0 45.1 87 87 A P H >> S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.812 115.4 55.9 -43.4 -45.8 20.3 18.6 47.7 88 88 A E H 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.645 91.9 72.4 -69.0 -12.6 16.7 19.0 46.5 89 89 A Q H <> S+ 0 0 51 -3,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.863 94.8 53.9 -67.4 -34.6 16.2 15.3 46.9 90 90 A G H S+ 0 0 12 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.943 120.8 39.9 -53.7 -53.6 7.6 16.6 51.6 96 96 A K H <5S+ 0 0 85 -4,-2.5 3,-0.4 3,-0.2 -1,-0.2 0.900 116.0 50.2 -65.9 -44.4 6.9 13.0 50.7 97 97 A G H <5S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.0 38.2 -63.5 -38.8 7.9 11.5 54.0 98 98 A L H <5S- 0 0 6 -4,-2.8 -1,-0.2 -5,-0.2 171,-0.2 0.476 107.7-129.1 -89.6 -3.1 5.7 13.9 56.0 99 99 A D T <5 + 0 0 58 -4,-0.5 2,-1.8 -3,-0.4 170,-0.4 0.882 39.9 173.5 52.9 47.3 3.0 13.7 53.3 100 100 A L < + 0 0 0 -5,-2.3 168,-0.3 -6,-0.2 -1,-0.2 -0.599 7.9 160.8 -85.6 79.0 2.8 17.5 53.1 101 101 A Y + 0 0 24 -2,-1.8 34,-1.9 34,-0.2 2,-0.8 0.566 49.2 75.0 -78.8 -16.7 0.4 17.5 50.1 102 102 A A E -DE 134 267A 0 165,-2.7 165,-3.3 32,-0.2 2,-0.6 -0.804 59.2-175.3-106.7 95.2 -1.0 21.0 50.4 103 103 A N E -DE 133 266A 0 30,-2.4 30,-2.2 -2,-0.8 2,-0.6 -0.777 6.9-163.9 -90.5 121.1 1.5 23.6 49.2 104 104 A L E +DE 132 265A 13 161,-4.1 161,-2.0 -2,-0.6 28,-0.2 -0.928 13.1 173.6-110.1 115.3 0.2 27.2 49.8 105 105 A R E -D 131 0A 18 26,-2.7 26,-2.4 -2,-0.6 2,-0.3 -0.854 14.3-160.8-124.9 94.4 2.0 30.0 48.0 106 106 A P E -D 130 0A 38 0, 0.0 2,-0.5 0, 0.0 24,-0.3 -0.563 3.8-160.7 -74.8 133.2 0.2 33.4 48.4 107 107 A A E +D 129 0A 2 22,-4.3 22,-3.1 -2,-0.3 2,-0.3 -0.942 30.1 132.7-123.6 107.9 1.1 36.0 45.8 108 108 A Q E -D 128 0A 69 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.952 46.4-119.4-145.8 158.0 0.5 39.7 46.6 109 109 A I - 0 0 10 18,-0.7 5,-0.1 -2,-0.3 148,-0.1 -0.879 20.4-124.9-106.4 137.3 2.5 42.9 46.3 110 110 A F > - 0 0 37 -2,-0.4 3,-2.7 146,-0.2 4,-0.3 -0.684 25.5-127.2 -77.8 128.9 3.5 45.1 49.2 111 111 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.646 110.3 50.9 -49.7 -23.3 2.3 48.7 48.3 112 112 A Q T 3 S+ 0 0 53 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.503 111.9 48.0 -94.5 -5.8 5.8 50.1 48.9 113 113 A L S X S+ 0 0 10 -3,-2.7 3,-1.8 1,-0.1 4,-0.2 0.227 74.8 112.1-116.2 11.1 7.3 47.5 46.7 114 114 A L G > + 0 0 48 -4,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.803 66.9 66.3 -56.5 -34.0 5.0 47.8 43.7 115 115 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.650 87.6 69.5 -65.3 -15.9 7.7 49.3 41.4 116 116 A A G < S+ 0 0 45 -3,-1.8 -1,-0.3 140,-0.2 -2,-0.2 0.616 76.3 107.9 -76.8 -13.6 9.5 46.0 41.5 117 117 A S < - 0 0 3 -3,-1.8 138,-0.1 -4,-0.2 139,-0.1 -0.477 64.7-147.3 -71.2 133.6 6.8 44.4 39.4 118 118 A P S S+ 0 0 3 0, 0.0 360,-2.8 0, 0.0 363,-0.2 0.644 77.5 80.0 -71.0 -20.7 7.6 43.6 35.7 119 119 A L B S-J 477 0B 1 136,-0.3 358,-0.3 358,-0.3 -2,-0.1 -0.435 100.6 -81.9 -87.7 163.7 4.0 44.3 34.7 120 120 A R >> - 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V 0 625D 1 -2,-0.3 -204,-3.2 -5,-0.2 2,-0.4 -0.937 13.8-160.1-166.9 140.7 5.1 21.2 7.2 631 273 B M E -pV 426 624D 0 -7,-2.0 -7,-2.8 -2,-0.3 2,-0.4 -0.977 9.8-158.1-126.8 139.5 1.9 22.7 8.7 632 274 B Y E +pV 427 623D 1 -206,-3.0 -204,-2.9 -2,-0.4 -9,-0.2 -0.980 21.5 154.7-123.8 127.8 1.2 26.3 9.3 633 275 B E - 0 0 13 -11,-0.7 -11,-0.4 -2,-0.4 -204,-0.2 -0.975 40.2-115.1-147.7 153.2 -1.4 27.6 11.8 634 276 B P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -16,-0.1 -0.286 24.7-133.7 -78.0 177.9 -1.9 30.7 13.9 635 277 B I S S+ 0 0 17 -15,-1.1 -17,-0.1 -18,-0.4 -205,-0.1 0.053 79.3 90.6-126.4 33.3 -1.8 30.3 17.7 636 278 B H S S- 0 0 34 1,-0.2 3,-0.4 -16,-0.1 -1,-0.1 0.533 82.7-127.1-103.9 -9.0 -4.9 32.2 18.9 637 279 B G - 0 0 40 -208,-0.2 -1,-0.2 1,-0.2 -205,-0.1 -0.181 39.6 -60.8 87.0 177.8 -7.5 29.5 18.8 638 280 B S - 0 0 9 -207,-0.4 -268,-1.6 -269,-0.1 -267,-0.2 0.420 51.6-149.2 -81.6 -2.3 -10.9 29.4 17.2 639 281 B A > - 0 0 26 -3,-0.4 3,-1.2 -270,-0.2 4,-0.4 0.821 16.3-172.0 29.8 64.3 -12.5 32.4 19.0 640 282 B P G > S+ 0 0 60 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.782 73.4 65.1 -50.7 -36.9 -16.0 30.9 18.8 641 283 B D G 3 S+ 0 0 126 1,-0.2 -2,-0.1 3,-0.0 -272,-0.0 0.804 112.7 31.0 -60.2 -35.3 -17.7 34.0 20.2 642 284 B I G X >S+ 0 0 45 -3,-1.2 3,-1.7 -4,-0.1 5,-0.6 0.269 88.9 141.0-106.6 8.3 -16.7 36.2 17.2 643 285 B A T < 5S+ 0 0 36 -3,-0.8 -273,-0.2 -4,-0.4 -274,-0.1 -0.293 73.6 6.9 -56.9 126.2 -16.8 33.3 14.7 644 286 B G T 3 5S+ 0 0 61 -275,-0.2 -1,-0.3 1,-0.1 -274,-0.1 0.682 97.3 107.0 75.1 20.9 -18.3 34.4 11.4 645 287 B Q T < 5S- 0 0 93 -3,-1.7 -2,-0.1 0, 0.0 -1,-0.1 0.335 87.3-120.1-108.7 3.2 -18.5 38.1 12.2 646 288 B D T 5S+ 0 0 54 -4,-0.2 55,-1.8 54,-0.1 57,-0.2 0.813 86.9 110.6 61.1 32.3 -15.6 39.2 9.9 647 289 B K < + 0 0 105 -5,-0.6 42,-0.4 53,-0.2 43,-0.4 0.740 39.8 110.1-104.1 -32.8 -14.0 40.5 13.1 648 290 B A S S- 0 0 3 -6,-0.4 41,-0.0 1,-0.1 -9,-0.0 -0.083 74.0-115.3 -50.6 138.8 -11.1 38.1 13.5 649 291 B N - 0 0 8 1,-0.1 3,-0.4 39,-0.1 4,-0.3 -0.669 27.0-171.8 -76.6 116.5 -7.5 39.3 12.9 650 292 B P > + 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.500 62.1 95.0 -90.0 1.0 -6.2 37.3 9.9 651 293 B L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -32,-0.2 0.765 76.8 55.3 -61.9 -34.7 -2.7 38.6 10.3 652 294 B A H > S+ 0 0 0 -34,-1.2 4,-0.8 -3,-0.4 -30,-0.2 0.894 112.5 44.3 -66.1 -40.4 -1.3 35.7 12.4 653 295 B T H > S+ 0 0 1 -3,-0.3 4,-1.7 -4,-0.3 -2,-0.2 0.864 111.7 53.1 -70.3 -39.2 -2.4 33.3 9.6 654 296 B I H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.938 110.4 47.4 -61.9 -45.0 -1.1 35.6 6.9 655 297 B L H X S+ 0 0 13 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.727 108.1 56.5 -68.5 -20.8 2.3 35.7 8.7 656 298 B S H X S+ 0 0 2 -4,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.813 104.7 51.3 -76.8 -33.4 2.0 31.9 8.9 657 299 B V H X S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.871 106.7 55.0 -68.2 -35.7 1.7 31.8 5.1 658 300 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.877 105.6 51.4 -63.9 -37.4 4.8 33.9 5.1 659 301 B M H X S+ 0 0 14 -4,-1.3 4,-3.1 1,-0.2 -1,-0.2 0.844 108.9 52.2 -67.1 -33.7 6.6 31.2 7.2 660 302 B M H X>S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-2.4 0.874 104.2 54.7 -69.0 -40.0 5.4 28.7 4.6 661 303 B L H <5S+ 0 0 0 -4,-2.2 6,-3.9 3,-0.2 7,-0.2 0.934 117.9 37.5 -59.8 -40.9 6.8 30.7 1.7 662 304 B R H <5S+ 0 0 62 -4,-1.7 6,-0.2 4,-0.2 -2,-0.2 0.915 126.1 33.8 -75.9 -48.4 10.2 30.6 3.5 663 305 B H H <5S+ 0 0 78 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.675 134.8 13.0 -86.4 -21.6 10.1 27.0 5.0 664 306 B S T <5S+ 0 0 22 -4,-2.6 -3,-0.2 -5,-0.2 -4,-0.1 0.716 125.9 43.5-121.3 -47.9 8.3 25.0 2.4 665 307 B L S + 0 0 4 -6,-3.9 4,-2.2 -7,-0.2 3,-0.5 -0.382 15.0 153.6-124.3 53.0 10.1 31.7 -1.6 668 310 B E H > S+ 0 0 67 1,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.876 74.0 50.5 -47.9 -51.8 12.1 33.7 1.0 669 311 B P H > S+ 0 0 73 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.880 115.6 44.0 -59.1 -35.8 12.0 37.0 -1.0 670 312 B W H > S+ 0 0 53 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.749 108.9 57.0 -78.6 -23.8 8.2 36.6 -1.3 671 313 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.931 109.4 47.0 -69.7 -41.2 8.1 35.5 2.4 672 314 B Q H X S+ 0 0 104 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.853 108.4 54.6 -65.8 -39.4 9.7 38.9 3.2 673 315 B R H X S+ 0 0 132 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.841 108.2 48.3 -64.7 -36.7 7.3 40.8 1.0 674 316 B V H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.935 115.1 46.1 -67.9 -43.3 4.3 39.4 2.7 675 317 B E H X S+ 0 0 60 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.878 112.7 50.0 -65.6 -38.0 5.9 40.3 6.0 676 318 B A H X S+ 0 0 57 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.829 108.5 53.5 -69.2 -32.6 6.8 43.8 4.7 677 319 B A H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.809 105.4 53.0 -71.1 -33.8 3.2 44.2 3.5 678 320 B V H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.851 110.4 47.8 -69.4 -36.6 1.8 43.4 7.0 679 321 B Q H X S+ 0 0 58 -4,-1.4 4,-2.2 2,-0.2 3,-0.2 0.936 110.4 52.1 -68.8 -46.0 4.1 46.1 8.5 680 322 B R H X S+ 0 0 140 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.913 106.2 54.0 -55.3 -46.3 3.0 48.5 5.8 681 323 B V H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 -1,-0.2 0.877 109.6 48.0 -57.5 -39.4 -0.7 47.9 6.7 682 324 B L H ><5S+ 0 0 1 -4,-1.4 3,-1.3 -3,-0.2 -1,-0.2 0.870 108.8 52.6 -70.3 -38.6 0.0 48.7 10.3 683 325 B D H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 103.1 59.4 -64.5 -33.2 1.9 51.9 9.4 684 326 B Q T 3<5S- 0 0 112 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.570 120.1-114.9 -71.0 -9.5 -1.1 52.9 7.4 685 327 B G T < 5 + 0 0 34 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.758 59.9 156.7 81.4 24.8 -3.1 52.6 10.7 686 328 B L < + 0 0 44 -5,-2.1 2,-0.4 12,-0.1 -1,-0.3 -0.744 16.0 176.0 -85.6 127.8 -5.3 49.7 9.6 687 329 B R - 0 0 32 -2,-0.5 12,-2.6 10,-0.2 2,-0.2 -0.991 26.0-149.2-140.6 132.6 -6.5 47.9 12.7 688 330 B T > - 0 0 0 -2,-0.4 3,-1.4 10,-0.2 4,-0.5 -0.531 49.2 -90.7 -87.3 163.9 -8.9 44.9 13.3 689 331 B A G > S+ 0 0 55 10,-0.4 3,-1.2 -42,-0.4 -41,-0.1 0.830 123.3 55.8 -42.3 -48.5 -10.8 45.0 16.6 690 332 B D G 3 S+ 0 0 78 -43,-0.4 -1,-0.3 1,-0.3 -73,-0.1 0.765 117.2 33.1 -60.1 -33.5 -8.2 43.1 18.6 691 333 B I G < S+ 0 0 14 -3,-1.4 2,-0.4 -73,-0.1 -1,-0.3 0.199 96.4 109.0-109.8 15.4 -5.3 45.5 17.8 692 334 B A < - 0 0 24 -3,-1.2 3,-0.1 -4,-0.5 6,-0.1 -0.777 65.8-130.1 -98.0 134.5 -7.4 48.7 17.7 693 335 B A > - 0 0 53 -2,-0.4 3,-1.9 4,-0.1 -2,-0.1 -0.457 46.4 -82.8 -74.3 150.3 -7.1 51.3 20.4 694 336 B P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.361 119.5 17.0 -58.1 131.5 -10.5 52.5 21.7 695 337 B G T 3 S+ 0 0 93 1,-0.3 -2,-0.1 -3,-0.1 3,-0.0 0.590 101.1 124.2 81.2 10.9 -12.0 55.1 19.5 696 338 B T S < S- 0 0 55 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.1 -0.689 73.5 -89.5-101.1 151.2 -9.7 54.1 16.6 697 339 B P - 0 0 99 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.392 44.5-159.0 -61.1 139.6 -10.9 53.0 13.2 698 340 B V - 0 0 80 -12,-0.1 2,-0.3 -6,-0.1 -10,-0.2 -0.987 6.6-165.2-127.8 132.3 -11.5 49.3 12.9 699 341 B I - 0 0 41 -12,-2.6 -10,-0.4 -2,-0.4 -13,-0.0 -0.785 21.1-111.3-113.3 158.0 -11.6 47.1 9.8 700 342 B G > - 0 0 20 -2,-0.3 4,-2.0 -12,-0.1 -53,-0.2 -0.114 31.9 -98.2 -79.4 179.9 -12.9 43.6 9.2 701 343 B T H > S+ 0 0 1 -55,-1.8 4,-1.7 2,-0.2 5,-0.1 0.951 120.9 45.8 -61.3 -55.0 -11.1 40.3 8.5 702 344 B K H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 113.9 48.1 -57.2 -48.5 -11.8 40.4 4.7 703 345 B A H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 108.7 54.1 -61.7 -41.6 -10.7 44.0 4.3 704 346 B M H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.865 108.8 50.0 -62.4 -34.8 -7.5 43.4 6.4 705 347 B G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.883 111.5 47.1 -69.8 -38.8 -6.7 40.6 4.0 706 348 B A H X S+ 0 0 28 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.855 107.5 58.0 -69.1 -36.9 -7.2 42.8 0.9 707 349 B A H X S+ 0 0 14 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.904 106.8 47.7 -60.5 -42.5 -5.2 45.6 2.5 708 350 B V H < S+ 0 0 0 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.936 111.9 49.2 -65.6 -45.3 -2.2 43.3 2.8 709 351 B V H >< S+ 0 0 26 -4,-1.9 3,-0.9 1,-0.2 5,-0.4 0.902 115.5 44.4 -59.8 -43.1 -2.6 42.1 -0.8 710 352 B N H >< S+ 0 0 113 -4,-2.8 3,-2.4 1,-0.2 4,-0.2 0.939 107.7 58.0 -66.9 -43.3 -2.8 45.8 -1.9 711 353 B A T 3< S+ 0 0 7 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.499 87.6 78.5 -65.2 -3.8 0.1 46.7 0.4 712 354 B L T < S- 0 0 11 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.625 94.5-142.3 -76.9 -16.3 2.1 44.1 -1.6 713 355 B N < + 0 0 130 -3,-2.4 -2,-0.1 -4,-0.2 -3,-0.1 0.901 42.8 154.4 52.9 52.7 2.4 46.8 -4.3 714 356 B L 0 0 68 -5,-0.4 -1,-0.1 -4,-0.2 -330,-0.0 0.067 360.0 360.0 -88.8-160.8 2.1 44.5 -7.2 715 357 B K 0 0 262 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.461 360.0 360.0-175.8 360.0 0.8 45.1 -10.8