==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-APR-08 3CXO . COMPND 2 MOLECULE: PUTATIVE GALACTONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.F.RAKUS,B.K.HUBBARD,J.A.GERLT, . 804 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 555 69.0 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 . 62 7.7 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 . 115 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 26.6 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 5 0 0 2 4 0 4 2 2 0 2 0 0 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 . 6 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 . 2 2 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 0 220 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.3 -1.4 54.5 59.9 2 5 A M - 0 0 110 1,-0.0 2,-0.4 2,-0.0 147,-0.0 -0.623 360.0-133.6 -83.0 136.0 1.8 54.2 61.9 3 6 A T - 0 0 127 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.760 19.8-157.0 -91.1 131.6 5.1 54.6 60.0 4 7 A L - 0 0 50 -2,-0.4 2,-0.1 145,-0.0 141,-0.0 -0.915 7.7-134.9-114.4 135.3 7.8 52.0 60.8 5 8 A P - 0 0 22 0, 0.0 101,-1.8 0, 0.0 102,-0.2 -0.327 23.0-112.7 -79.7 164.2 11.5 52.4 60.3 6 9 A K B -A 105 0A 103 99,-0.2 68,-2.5 100,-0.1 2,-0.5 -0.524 36.0 -96.6 -91.8 164.4 13.8 49.8 58.8 7 10 A I E +B 73 0B 1 97,-3.5 96,-2.7 94,-0.3 66,-0.3 -0.712 41.4 177.0 -83.0 127.4 16.5 48.0 60.7 8 11 A K E + 0 0 46 64,-3.0 2,-0.3 -2,-0.5 65,-0.2 0.890 57.8 9.7 -96.6 -53.3 19.9 49.7 60.2 9 12 A H E -B 72 0B 75 63,-1.8 63,-3.4 93,-0.1 2,-0.4 -0.932 47.9-164.6-133.0 155.6 22.4 47.9 62.4 10 13 A V E -B 71 0B 0 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.996 19.5-178.7-135.2 129.9 22.7 44.7 64.5 11 14 A R E -B 70 0B 43 59,-2.8 59,-2.8 -2,-0.4 2,-0.4 -0.974 12.1-153.8-133.7 148.8 25.5 44.4 66.9 12 15 A A E +B 69 0B 0 -2,-0.3 388,-0.4 388,-0.3 2,-0.3 -0.969 14.8 170.6-126.9 139.4 26.7 41.7 69.3 13 16 A W E -B 68 0B 31 55,-2.6 55,-3.0 -2,-0.4 2,-0.3 -0.820 12.1-156.5-133.1 172.0 28.7 41.9 72.6 14 17 A F E -BC 67 397B 2 383,-1.5 383,-2.2 -2,-0.3 2,-0.3 -0.984 7.2-169.4-151.5 155.8 29.5 39.5 75.3 15 18 A I E +B 66 0B 11 51,-1.4 51,-2.6 -2,-0.3 381,-0.1 -0.947 61.8 11.1-140.2 155.9 30.5 39.5 79.0 16 19 A G S S+ 0 0 2 -2,-0.3 3,-0.3 49,-0.2 6,-0.2 -0.192 75.7 109.4 68.5-166.3 31.8 36.7 81.1 17 20 A G S > S- 0 0 5 45,-0.4 3,-1.7 4,-0.2 47,-0.2 -0.109 89.5 -55.1 85.9 171.9 32.8 33.4 79.5 18 21 A A T 3 S+ 0 0 40 45,-2.8 -1,-0.2 1,-0.3 46,-0.1 0.652 136.4 48.5 -62.2 -18.4 36.2 31.8 79.0 19 22 A T T 3 S+ 0 0 30 -3,-0.3 -1,-0.3 44,-0.3 2,-0.2 0.152 118.7 29.1-110.1 19.1 37.5 34.9 77.2 20 23 A A S < S- 0 0 34 -3,-1.7 2,-0.6 -5,-0.1 -3,-0.1 -0.591 109.5 -27.0-146.7-151.1 36.4 37.5 79.7 21 24 A E > - 0 0 116 -2,-0.2 3,-0.9 374,-0.2 -4,-0.2 -0.651 58.9-131.2 -82.5 116.3 35.6 37.9 83.4 22 25 A K T 3 S+ 0 0 110 -2,-0.6 -6,-0.1 1,-0.2 9,-0.1 -0.352 90.9 27.2 -63.5 137.9 34.6 34.7 85.2 23 26 A G T 3 S+ 0 0 27 39,-0.2 -1,-0.2 9,-0.2 10,-0.2 0.717 72.6 143.7 82.3 22.3 31.5 35.0 87.3 24 27 A A < - 0 0 26 -3,-0.9 2,-0.2 1,-0.2 8,-0.2 0.683 34.7-169.3 -67.3 -18.5 30.0 37.8 85.2 25 28 A G > + 0 0 0 6,-2.7 3,-1.1 3,-0.2 -1,-0.2 -0.439 39.6 109.8 65.6-131.1 26.5 36.4 85.8 26 29 A G T 3 S+ 0 0 2 336,-3.0 336,-0.1 1,-0.2 -1,-0.1 -0.405 93.4 0.1 66.2-130.4 24.0 38.2 83.5 27 30 A G T 3 S+ 0 0 1 56,-0.2 2,-1.2 -2,-0.2 -1,-0.2 0.832 122.1 71.6 -63.4 -36.0 22.6 36.1 80.7 28 31 A D X - 0 0 1 -3,-1.1 3,-2.5 55,-0.2 -3,-0.2 -0.722 69.0-163.4 -87.7 96.9 24.6 33.0 81.6 29 32 A Y T 3 S+ 0 0 3 -2,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.775 87.6 49.9 -46.9 -35.6 22.9 31.7 84.8 30 33 A H T 3 S+ 0 0 11 31,-0.2 2,-1.9 1,-0.2 -1,-0.3 0.407 78.0 99.2 -90.8 2.4 25.8 29.5 85.6 31 34 A D < + 0 0 0 -3,-2.5 -6,-2.7 -6,-0.1 2,-0.2 -0.458 61.4 133.4 -87.4 66.6 28.6 32.1 85.1 32 35 A Q - 0 0 7 -2,-1.9 -8,-0.2 1,-0.2 -9,-0.2 -0.478 53.8-111.1-107.8 178.7 28.7 32.7 88.9 33 36 A G - 0 0 31 1,-0.2 3,-0.4 -10,-0.2 -1,-0.2 0.066 53.0 -55.0 -91.6-154.4 31.5 33.0 91.5 34 37 A G S S+ 0 0 60 1,-0.2 -1,-0.2 -11,-0.0 3,-0.1 -0.279 110.7 28.5 -84.0 171.7 32.4 30.6 94.3 35 38 A N S S+ 0 0 169 1,-0.2 2,-0.4 4,-0.1 -1,-0.2 0.845 81.2 149.3 45.9 44.5 30.3 29.2 97.1 36 39 A H > - 0 0 8 -3,-0.4 3,-2.1 1,-0.1 -1,-0.2 -0.890 53.0-135.7-107.7 135.3 27.1 29.5 95.0 37 40 A W G > S+ 0 0 19 315,-2.3 3,-1.8 -2,-0.4 -1,-0.1 0.844 103.3 67.2 -56.8 -32.5 24.3 27.0 95.6 38 41 A I G 3 S+ 0 0 6 1,-0.3 -1,-0.3 311,-0.1 18,-0.1 0.505 108.1 37.5 -69.5 -1.7 24.0 26.6 91.8 39 42 A D G < S+ 0 0 22 -3,-2.1 2,-1.2 16,-0.1 -1,-0.3 0.123 85.3 121.2-131.6 17.1 27.4 25.0 91.7 40 43 A D S < S- 0 0 82 -3,-1.8 15,-0.2 1,-0.2 14,-0.1 -0.646 99.2 -54.9 -91.8 86.5 27.2 23.0 94.9 41 44 A H S S+ 0 0 24 13,-2.6 2,-0.4 -2,-1.2 -1,-0.2 0.900 78.8 179.6 50.7 48.1 27.6 19.3 94.0 42 45 A I - 0 0 5 12,-0.3 148,-0.3 1,-0.1 -1,-0.2 -0.656 31.8-113.2 -81.6 132.1 24.8 19.4 91.5 43 46 A A + 0 0 0 146,-2.6 184,-0.2 -2,-0.4 146,-0.2 -0.445 51.0 155.2 -67.1 134.9 24.2 16.0 89.7 44 47 A T > - 0 0 3 183,-0.2 3,-0.7 -2,-0.1 4,-0.3 -0.884 61.8 -89.4-148.4 177.3 25.0 16.1 86.0 45 48 A P T 3 S+ 0 0 24 0, 0.0 3,-0.2 0, 0.0 476,-0.1 0.688 129.2 46.1 -68.3 -12.1 26.1 13.8 83.2 46 49 A M T > S+ 0 0 0 475,-0.2 3,-2.1 1,-0.1 6,-0.3 0.554 83.9 88.4-104.3 -11.7 29.6 14.5 84.3 47 50 A S T < S+ 0 0 1 -3,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.587 72.5 75.8 -67.8 -6.7 29.3 14.1 88.1 48 51 A K T 3 S+ 0 0 106 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.673 83.6 81.0 -73.6 -16.0 30.1 10.4 87.8 49 52 A Y S X S- 0 0 45 -3,-2.1 3,-1.9 1,-0.1 4,-0.4 -0.816 82.3-139.8 -92.9 123.5 33.7 11.6 87.3 50 53 A R G > S+ 0 0 207 -2,-0.5 3,-0.8 1,-0.3 4,-0.5 0.837 101.5 53.4 -51.4 -39.0 35.5 12.4 90.5 51 54 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.662 118.5 35.9 -72.1 -14.7 37.2 15.5 89.1 52 55 A Y G < S+ 0 0 23 -3,-1.9 -1,-0.2 -6,-0.3 -2,-0.2 0.174 92.4 91.1-123.9 17.0 33.8 16.9 88.0 53 56 A E S < S+ 0 0 51 -3,-0.8 -2,-0.1 -4,-0.4 -6,-0.1 0.905 87.9 42.5 -79.7 -44.2 31.5 15.8 90.8 54 57 A Q S S+ 0 0 107 -4,-0.5 -13,-2.6 1,-0.2 2,-0.4 0.857 118.9 33.8 -73.2 -36.2 31.7 18.8 93.1 55 58 A S > - 0 0 25 -15,-0.2 4,-0.5 -4,-0.2 -1,-0.2 -0.974 47.9-164.6-130.7 133.0 31.5 21.6 90.6 56 59 A R T >4>S+ 0 0 13 -2,-0.4 5,-1.7 1,-0.2 3,-0.8 0.809 98.7 62.1 -78.2 -30.0 29.8 22.1 87.3 57 60 A Q G >45S+ 0 0 22 1,-0.2 3,-1.4 3,-0.2 5,-0.3 0.875 93.5 65.5 -60.8 -34.3 32.1 25.0 86.7 58 61 A S G 345S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.826 103.8 43.4 -59.6 -32.8 34.9 22.6 86.8 59 62 A F G <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.480 129.6 -95.4 -91.8 -0.0 33.7 20.8 83.6 60 63 A G T X 5 + 0 0 0 -3,-1.4 3,-1.3 -4,-0.5 4,-0.2 0.795 69.8 149.2 97.9 32.3 33.0 24.1 82.0 61 64 A I T 3 -B 7 0B 0 4,-3.1 3,-2.0 -2,-0.5 -66,-0.2 -0.395 32.1-104.1 -85.6 166.2 16.4 51.1 63.6 74 77 A E T 3 S+ 0 0 102 -68,-2.5 -67,-0.1 1,-0.3 -1,-0.1 0.781 122.5 59.4 -59.7 -27.8 17.0 53.9 61.1 75 78 A N T 3 S- 0 0 70 -69,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.249 120.9-109.8 -86.7 13.3 15.4 56.3 63.5 76 79 A R S < S+ 0 0 186 -3,-2.0 2,-0.1 1,-0.3 -2,-0.1 0.392 74.1 138.1 75.5 -2.4 18.1 55.5 66.1 77 80 A Q - 0 0 68 -5,-0.1 -4,-3.1 1,-0.0 2,-0.3 -0.494 37.8-154.9 -72.5 145.4 15.7 53.6 68.4 78 81 A T E -D 72 0B 40 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.883 18.9-172.1-126.8 157.8 17.2 50.4 69.7 79 82 A G E +D 71 0B 0 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.3 -0.956 16.0 173.1-139.0 152.8 16.1 47.0 71.1 80 83 A F E -D 70 0B 2 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.960 13.7-173.4-155.6 172.5 18.2 44.3 72.7 81 84 A A E -D 69 0B 0 -12,-1.6 -12,-2.4 -2,-0.3 2,-0.3 -0.961 14.8-137.8-162.1 165.4 18.2 41.0 74.5 82 85 A V E +D 68 0B 2 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.916 26.4 150.1-132.1 158.3 20.6 38.7 76.3 83 86 A S E -D 67 0B 4 -16,-1.8 -16,-2.8 -2,-0.3 2,-0.7 -0.899 51.0 -69.6-164.3-170.3 21.2 34.9 76.3 84 87 A T E S+D 66 0B 4 -2,-0.3 -18,-0.2 217,-0.3 48,-0.1 -0.890 89.6 84.6-104.5 113.4 23.9 32.3 76.8 85 88 A A >> - 0 0 1 -20,-1.2 4,-1.0 -2,-0.7 3,-0.7 0.215 54.4-177.8-173.7 -31.2 26.4 32.2 73.9 86 89 A G H 3> - 0 0 0 -21,-0.4 4,-1.7 -3,-0.4 3,-0.2 -0.168 65.4 -2.3 56.4-138.7 29.1 34.8 74.5 87 90 A E H 3> S+ 0 0 22 -23,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.879 134.8 50.4 -55.4 -46.7 31.9 35.3 71.9 88 91 A M H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.871 107.0 56.7 -63.1 -33.9 30.9 32.5 69.5 89 92 A G H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.909 104.4 53.2 -62.1 -39.3 27.4 34.0 69.6 90 93 A C H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.895 105.4 53.7 -62.1 -40.3 28.9 37.3 68.5 91 94 A F H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.957 109.1 48.8 -58.6 -50.5 30.6 35.5 65.5 92 95 A I H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.9 0.885 116.7 41.4 -57.7 -42.3 27.2 34.0 64.4 93 96 A V H <>S+ 0 0 0 -4,-2.1 5,-1.7 3,-0.2 -2,-0.2 0.949 122.4 37.4 -72.1 -50.4 25.4 37.4 64.6 94 97 A E H <5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.781 125.9 35.8 -74.1 -29.8 28.1 39.6 63.1 95 98 A K H <5S+ 0 0 51 -4,-2.8 -1,-0.2 -5,-0.4 -3,-0.2 0.478 134.7 5.8-105.7 -3.0 29.4 37.2 60.4 96 99 A H T ><5S+ 0 0 0 -4,-0.9 3,-1.1 -5,-0.3 4,-0.2 0.512 121.1 46.6-139.7 -64.3 26.3 35.4 59.3 97 100 A L T >>< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.3 -94,-0.3 0.943 92.5 75.7 -88.3 -60.0 18.4 41.3 59.8 102 105 A E T 3< S+ 0 0 51 -4,-2.0 -94,-0.2 1,-0.2 3,-0.1 -0.324 100.0 25.6 -62.0 132.2 19.7 44.6 58.4 103 106 A G T 3 S+ 0 0 57 -96,-2.7 -1,-0.2 1,-0.4 -95,-0.1 0.185 96.0 116.7 100.9 -16.6 17.5 46.3 55.8 104 107 A K S < S- 0 0 32 -3,-1.7 -97,-3.5 1,-0.1 -1,-0.4 -0.330 74.2-100.4 -80.4 164.3 14.3 44.6 57.1 105 108 A C B > -A 6 0A 14 -99,-0.3 3,-2.2 1,-0.1 -99,-0.2 -0.584 32.7-116.8 -80.3 149.3 11.3 46.4 58.5 106 109 A V T 3 S+ 0 0 2 -101,-1.8 39,-0.2 1,-0.3 3,-0.2 0.708 117.6 57.0 -60.7 -16.3 11.2 46.3 62.3 107 110 A S T 3 S+ 0 0 56 -102,-0.2 2,-1.0 1,-0.2 3,-0.5 0.511 77.8 93.2 -91.4 -5.5 8.0 44.4 61.9 108 111 A D <> + 0 0 52 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.073 47.8 130.0 -79.4 39.9 9.6 41.6 59.8 109 112 A I H > + 0 0 5 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.929 69.2 43.7 -61.2 -50.8 10.2 39.5 62.9 110 113 A K H > S+ 0 0 153 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.836 113.7 52.7 -66.8 -30.7 8.8 36.2 61.7 111 114 A L H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 111.0 45.6 -67.2 -50.1 10.4 36.5 58.3 112 115 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.874 111.7 54.4 -60.5 -37.9 13.9 37.1 59.9 113 116 A H H X S+ 0 0 8 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.935 108.6 46.7 -63.9 -45.6 13.2 34.2 62.3 114 117 A D H X S+ 0 0 57 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.867 112.7 50.4 -65.1 -36.2 12.5 31.8 59.5 115 118 A Q H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.877 108.4 52.0 -70.6 -36.3 15.5 32.9 57.5 116 119 A M H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.932 113.0 45.3 -64.9 -42.7 17.8 32.5 60.5 117 120 A L H X S+ 0 0 42 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.927 115.8 46.0 -65.9 -44.8 16.5 28.9 61.0 118 121 A G H < S+ 0 0 6 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.905 113.5 48.2 -65.6 -41.1 16.8 28.1 57.4 119 122 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.724 118.5 38.9 -73.3 -23.4 20.3 29.5 56.9 120 123 A T H >X S+ 0 0 0 -4,-1.4 3,-2.3 -5,-0.2 4,-1.9 0.407 82.5 104.0-106.4 0.3 21.8 27.9 60.0 121 124 A M T 3< S+ 0 0 30 -4,-0.8 4,-0.5 -3,-0.4 -1,-0.1 0.820 74.5 62.0 -52.5 -33.7 20.0 24.5 59.7 122 125 A Y T 34 S+ 0 0 19 -4,-0.3 -1,-0.3 1,-0.2 409,-0.1 0.635 124.2 14.7 -71.5 -11.8 23.2 22.9 58.4 123 126 A Y T <4 S+ 0 0 1 -3,-2.3 409,-2.7 408,-0.1 410,-0.3 0.378 100.6 89.9-141.4 4.6 25.1 23.6 61.6 124 127 A S S >< S- 0 0 8 -4,-1.9 3,-1.4 407,-0.2 7,-0.4 0.753 71.5-146.0 -77.7 -24.3 22.6 24.6 64.3 125 128 A G T 3 - 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0 0 6 -3,-1.4 20,-0.3 -152,-0.1 2,-0.3 -0.502 52.5-166.9 -84.6 155.8 22.3 14.1 62.7 683 283 B G + 0 0 1 -154,-0.5 4,-0.4 -2,-0.2 24,-0.2 -0.989 41.1 34.8-144.6 153.1 24.6 13.8 65.7 684 284 B T S > S- 0 0 7 22,-2.3 4,-1.4 -2,-0.3 3,-0.4 0.427 79.1 -99.1 79.3 142.7 25.0 11.6 68.8 685 285 B L H > S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.880 121.1 58.6 -59.3 -39.6 24.2 7.9 69.0 686 286 B Q H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 102.0 53.0 -61.0 -38.6 20.8 8.6 70.6 687 287 B S H > S+ 0 0 10 -3,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.905 108.6 50.8 -63.2 -39.4 19.6 10.7 67.6 688 288 B F H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.780 103.9 58.0 -69.5 -24.7 20.6 7.9 65.3 689 289 B R H X S+ 0 0 101 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.954 110.8 43.3 -66.9 -46.7 18.6 5.4 67.4 690 290 B T H < S+ 0 0 11 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.919 114.9 49.8 -64.0 -42.8 15.5 7.6 66.8 691 291 B L H ><>S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 5,-0.6 0.937 108.6 52.2 -61.6 -46.3 16.4 8.0 63.1 692 292 B A H ><5S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.881 103.0 59.3 -58.4 -39.3 16.8 4.3 62.6 693 293 B E T 3<5S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.572 87.7 73.5 -69.7 -6.6 13.4 3.6 64.1 694 294 B T T < 5S- 0 0 5 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.645 110.4-119.6 -78.4 -13.9 11.7 5.7 61.5 695 295 B G T < 5 + 0 0 29 -3,-1.8 -19,-0.1 -4,-0.3 -2,-0.1 0.477 55.7 157.6 91.9 1.6 12.5 2.8 59.1 696 296 B I < - 0 0 0 -5,-0.6 -1,-0.2 1,-0.1 -19,-0.2 -0.253 43.1-129.8 -60.3 151.5 14.7 4.6 56.6 697 297 B D S S+ 0 0 42 -21,-1.6 28,-1.6 1,-0.2 2,-0.4 0.841 82.2 24.9 -73.0 -39.0 17.0 2.3 54.7 698 298 B I E -bc 677 725K 0 -22,-1.0 -20,-1.6 26,-0.2 2,-0.4 -0.987 60.6-153.5-137.6 130.0 20.3 4.0 55.1 699 299 B M E -bc 678 726K 0 26,-1.7 28,-1.6 -2,-0.4 -20,-0.3 -0.839 10.9-164.8 -99.1 136.7 21.7 6.3 57.7 700 300 B Q + 0 0 2 -22,-2.5 29,-0.2 -2,-0.4 -21,-0.1 -0.442 11.8 175.4-122.6 61.9 24.5 8.6 56.4 701 301 B P - 0 0 0 0, 0.0 28,-1.9 0, 0.0 2,-0.5 -0.267 30.6-128.3 -64.4 151.7 26.4 10.2 59.3 702 302 B D >> - 0 0 2 -22,-0.5 4,-3.2 -23,-0.4 3,-2.0 -0.898 15.2-138.4 -97.6 128.0 29.4 12.4 58.4 703 303 B V T 34>S+ 0 0 0 -2,-0.5 5,-0.8 26,-0.4 4,-0.4 0.851 103.8 48.1 -56.7 -34.0 32.3 11.1 60.5 704 304 B G T 345S+ 0 0 3 1,-0.1 -165,-0.3 2,-0.1 -1,-0.3 0.441 122.0 33.6 -87.3 1.4 33.4 14.7 61.2 705 305 B W T <45S+ 0 0 18 -3,-2.0 -174,-0.2 -167,-0.1 -2,-0.2 0.635 104.9 64.7-123.4 -29.5 29.9 15.8 62.2 706 306 B C T <5S- 0 0 0 -4,-3.2 -22,-2.3 -23,-0.1 -3,-0.1 0.609 127.3 -73.6 -75.5 -14.6 28.1 12.9 63.9 707 307 B G T 5S- 0 0 0 -4,-0.4 3,-0.2 -5,-0.3 4,-0.2 0.265 79.9 -84.6 136.5 -5.2 30.5 12.8 66.9 708 308 B G >< - 0 0 0 -5,-0.8 4,-2.5 -6,-0.4 5,-0.1 -0.525 64.1 -48.7 107.2-176.1 33.6 11.2 65.3 709 309 B L H > S+ 0 0 0 -171,-0.3 4,-2.5 1,-0.2 5,-0.2 0.893 131.2 60.7 -63.9 -40.1 34.9 7.8 64.6 710 310 B T H > S+ 0 0 11 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.911 112.0 38.7 -54.2 -43.8 34.0 6.6 68.1 711 311 B T H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.888 110.8 58.9 -75.0 -40.8 30.3 7.4 67.4 712 312 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 102.9 53.2 -55.8 -42.8 30.4 6.2 63.8 713 313 B V H X S+ 0 0 52 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.854 110.3 48.2 -62.9 -34.1 31.4 2.7 64.9 714 314 B E H X S+ 0 0 82 -4,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.906 109.4 51.9 -72.0 -41.1 28.4 2.7 67.3 715 315 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.882 107.1 54.4 -62.0 -37.2 26.0 3.9 64.6 716 316 B A H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.917 108.9 47.2 -62.7 -42.8 27.3 1.0 62.4 717 317 B A H X S+ 0 0 58 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.898 110.6 52.9 -64.7 -41.3 26.5 -1.5 65.0 718 318 B L H X S+ 0 0 34 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.963 113.3 42.7 -57.7 -53.0 23.1 0.0 65.5 719 319 B A H >X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-1.1 0.925 113.3 52.4 -60.3 -46.5 22.3 -0.2 61.8 720 320 B K H ><5S+ 0 0 122 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.871 102.4 58.7 -59.7 -37.4 23.8 -3.7 61.5 721 321 B S H 3<5S+ 0 0 93 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.767 114.2 39.0 -64.2 -22.2 21.6 -5.0 64.4 722 322 B R H <<5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.415 116.3-109.8-106.3 -2.4 18.6 -3.9 62.4 723 323 B G T <<5S+ 0 0 67 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.2 0.643 75.1 135.8 81.7 13.3 19.8 -5.0 59.0 724 324 B Q < - 0 0 19 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.510 51.1-124.0 -90.1 162.9 20.2 -1.4 57.9 725 325 B L E -c 698 0K 52 -28,-1.6 -26,-1.7 -2,-0.2 2,-0.5 -0.759 10.4-148.5-106.4 154.7 23.2 -0.1 56.0 726 326 B V E +c 699 0K 0 18,-2.0 -26,-0.2 -2,-0.3 16,-0.1 -0.981 18.3 173.0-125.2 117.7 25.5 2.8 57.0 727 327 B V - 0 0 0 -28,-1.6 21,-0.1 -2,-0.5 18,-0.1 -0.849 27.6-138.8-126.6 93.1 27.0 4.8 54.2 728 328 B P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 21,-0.4 0.013 19.1-106.9 -50.2 153.9 28.8 7.8 55.6 729 329 B H - 0 0 6 -28,-1.9 -26,-0.4 -29,-0.2 21,-0.0 -0.766 66.6 -63.7 -86.8 118.8 28.7 11.3 54.1 730 330 B G S S+ 0 0 0 -2,-0.6 19,-0.2 1,-0.2 5,-0.1 -0.113 72.3 147.2 43.2-120.9 32.0 12.1 52.4 731 331 B S >> - 0 0 2 -301,-0.1 3,-1.7 4,-0.1 4,-0.6 0.333 42.2-146.7 76.1 -4.3 34.7 12.3 55.1 732 332 B S H >> S- 0 0 3 1,-0.3 4,-2.5 17,-0.2 3,-1.7 -0.080 75.6 -0.7 46.3-136.2 37.6 11.0 53.0 733 333 B V H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.758 127.9 66.2 -54.8 -29.1 40.1 8.9 55.0 734 334 B Y H <4 S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.814 112.8 33.6 -64.9 -28.7 38.1 9.4 58.2 735 335 B S H XX S+ 0 0 0 -3,-1.7 4,-3.0 -4,-0.6 3,-1.2 0.879 112.8 61.7 -89.6 -46.0 35.4 7.3 56.6 736 336 B H H 3X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.3 -2,-0.2 0.877 102.8 49.1 -46.7 -52.2 37.6 5.0 54.6 737 337 B H H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 2,-0.2 -177,-0.1 0.762 119.1 40.1 -63.3 -25.3 39.4 3.5 57.6 738 338 B A H X4 S+ 0 0 0 -3,-1.2 3,-1.7 -4,-0.2 4,-0.2 0.935 115.3 45.8 -87.5 -55.1 36.1 2.9 59.3 739 339 B V H >< S+ 0 0 2 -4,-3.0 3,-1.5 1,-0.3 6,-0.3 0.767 100.5 66.7 -62.1 -28.9 33.8 1.7 56.5 740 340 B I T 3< S+ 0 0 0 -4,-1.9 -176,-3.0 -5,-0.4 -175,-0.5 0.708 106.0 46.7 -66.3 -15.4 36.4 -0.7 55.1 741 341 B T T < S+ 0 0 22 -3,-1.7 2,-0.6 -178,-0.3 -1,-0.3 0.442 93.9 95.0-102.5 -2.0 35.9 -2.6 58.3 742 342 B F X - 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