==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-MAY-10 3N73 . COMPND 2 MOLECULE: PUTATIVE 4-HYDROXY-2-OXOGLUTARATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.CABELLO,M.CHRUSZCZ,X.XU,M.D.ZIMMERMAN,H.CUI,A.SAVCHENKO,A. . 499 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 31.5 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 2 0 0 3 0 0 5 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 5 0 8 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 PARALLEL BRIDGES PER LADDER . 6 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 1 3 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 2 A T >> 0 0 112 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 136.8 55.1 49.9 -23.8 2 3 A N G >4 + 0 0 74 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.869 360.0 54.8 -61.9 -39.9 54.2 51.7 -20.6 3 4 A I G >4 S+ 0 0 5 87,-0.2 3,-2.4 1,-0.2 4,-0.3 0.752 88.6 78.7 -67.2 -23.5 57.7 52.0 -19.3 4 5 A Q G X4 S+ 0 0 65 -3,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.892 86.9 57.7 -57.8 -40.8 59.1 53.7 -22.4 5 6 A K G << S+ 0 0 106 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.622 95.0 70.0 -65.7 -4.8 57.7 57.1 -21.4 6 7 A R G < S+ 0 0 7 -3,-2.4 2,-0.7 -4,-0.2 8,-0.3 0.597 78.7 89.8 -86.1 -11.6 59.7 56.8 -18.1 7 8 A F S X S- 0 0 5 -3,-1.7 3,-2.1 -4,-0.3 6,-0.3 -0.777 82.6-125.3 -88.6 114.5 63.1 57.3 -19.9 8 9 A Y B >> S-A 12 0A 19 4,-2.9 3,-2.6 -2,-0.7 4,-1.1 -0.446 96.0 -11.5 -54.8 121.9 64.3 60.9 -20.1 9 10 A K T 34 S- 0 0 127 1,-0.3 -1,-0.3 -2,-0.3 -4,-0.1 0.783 126.2 -67.2 47.9 32.6 64.9 61.4 -23.9 10 11 A G T <4 S+ 0 0 16 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.547 128.9 81.9 72.5 12.3 64.6 57.7 -24.2 11 12 A R T <4 S+ 0 0 36 -3,-2.6 203,-2.4 1,-0.2 2,-0.4 0.829 82.9 31.7-115.5 -49.9 67.8 57.1 -22.2 12 13 A V B < +Ab 8 214A 2 -4,-1.1 -4,-2.9 201,-0.2 2,-0.4 -0.974 48.0 179.6-130.0 120.1 67.5 57.2 -18.3 13 14 A A - 0 0 0 201,-1.9 22,-0.2 -2,-0.4 2,-0.2 -0.979 26.2-132.6-111.4 129.4 64.6 56.3 -16.0 14 15 A L E -g 35 0B 2 20,-2.0 22,-2.2 -2,-0.4 2,-0.4 -0.532 12.0-159.5 -71.3 145.3 65.0 56.7 -12.2 15 16 A N E +gh 36 217B 0 201,-2.0 203,-2.1 20,-0.2 2,-0.3 -0.941 26.7 154.0-124.9 110.9 64.0 53.9 -9.9 16 17 A V E -g 37 0B 0 20,-1.4 22,-2.8 -2,-0.4 2,-0.2 -0.874 40.6-106.4-129.5 160.5 63.4 55.2 -6.3 17 18 A L E -g 38 0B 27 201,-0.5 2,-0.4 -2,-0.3 213,-0.2 -0.562 21.7-145.8 -86.9 151.3 61.3 53.8 -3.4 18 19 A A - 0 0 12 20,-2.4 3,-0.1 -2,-0.2 211,-0.1 -0.981 5.1-160.7-114.6 140.3 58.0 55.3 -2.2 19 20 A N S S- 0 0 71 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.717 75.8 -13.8 -82.8 -33.3 57.0 55.2 1.5 20 21 A N S > S- 0 0 62 1,-0.1 4,-2.3 37,-0.0 -1,-0.2 -0.932 81.7 -84.5-162.5 178.2 53.3 55.8 1.0 21 22 A I H > S+ 0 0 57 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.867 125.3 52.5 -70.6 -37.1 51.0 57.0 -1.8 22 23 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.906 110.0 49.3 -60.5 -39.8 51.5 60.7 -1.1 23 24 A N H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.916 110.0 52.3 -66.7 -41.4 55.3 60.2 -1.3 24 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 110.6 47.4 -59.1 -44.7 54.8 58.3 -4.6 25 26 A K H X S+ 0 0 73 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 113.2 47.5 -63.0 -47.0 52.8 61.2 -6.0 26 27 A D H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.892 113.9 47.8 -62.3 -40.3 55.4 63.8 -4.9 27 28 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 6,-0.2 0.920 110.2 51.7 -62.5 -48.7 58.2 61.7 -6.3 28 29 A F H <>S+ 0 0 29 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.908 112.9 46.0 -58.8 -42.2 56.4 61.2 -9.6 29 30 A E H ><5S+ 0 0 150 -4,-2.6 3,-1.4 3,-0.2 -1,-0.2 0.930 112.4 50.2 -64.3 -46.2 55.9 65.0 -9.8 30 31 A A H 3<5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.865 112.0 47.6 -63.1 -32.9 59.5 65.8 -8.9 31 32 A A T ><5S- 0 0 0 -4,-2.4 3,-2.3 -5,-0.1 -1,-0.3 0.377 109.1-123.9 -89.0 4.7 60.9 63.4 -11.5 32 33 A E T < 5S- 0 0 111 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.830 71.2 -57.7 52.3 35.0 58.6 64.8 -14.2 33 34 A G T 3 - i 0 68B 34 -2,-0.4 3,-1.2 27,-0.2 29,-0.2 -0.719 11.1-152.4 -94.9 130.7 58.2 46.3 -1.8 41 42 A S G > S+ 0 0 2 27,-2.2 3,-2.1 -2,-0.4 -1,-0.2 0.888 96.7 66.1 -60.7 -36.2 56.5 43.0 -1.6 42 43 A K G 3 S+ 0 0 97 27,-0.9 -1,-0.3 1,-0.3 28,-0.1 0.734 87.6 69.3 -58.7 -25.1 58.3 42.3 1.7 43 44 A D G < S+ 0 0 110 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.494 95.2 62.1 -75.1 -0.7 56.3 45.1 3.3 44 45 A Y S < S- 0 0 51 -3,-2.1 6,-0.1 -4,-0.1 4,-0.0 -0.948 74.1-139.0-129.7 137.5 53.1 43.1 3.1 45 46 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.781 84.7 25.7 -66.8 -25.8 52.2 39.7 4.8 46 47 A T S > S- 0 0 65 1,-0.1 4,-2.0 -5,-0.0 5,-0.1 -0.907 76.2-114.0-137.3 163.2 50.4 38.3 1.7 47 48 A V H > S+ 0 0 39 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.918 116.0 55.0 -60.0 -43.8 50.2 38.5 -2.1 48 49 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 108.2 46.8 -59.8 -46.9 46.6 39.9 -1.8 49 50 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 113.1 50.3 -62.2 -40.1 47.7 42.8 0.5 50 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.924 110.6 48.3 -61.9 -49.6 50.6 43.6 -1.8 51 52 A V H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.962 111.0 50.7 -56.1 -51.4 48.5 43.6 -4.9 52 53 A T H X S+ 0 0 88 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.932 114.4 44.9 -53.8 -47.6 45.8 45.9 -3.3 53 54 A A H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.922 111.6 50.8 -63.2 -47.7 48.5 48.3 -2.2 54 55 A X H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.3 -1,-0.2 0.886 109.7 50.1 -64.7 -38.2 50.4 48.4 -5.5 55 56 A K H X S+ 0 0 108 -4,-2.7 4,-2.2 2,-0.2 -1,-0.3 0.846 110.6 51.2 -62.9 -37.2 47.2 49.1 -7.4 56 57 A A H X S+ 0 0 41 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.871 113.0 44.0 -71.1 -37.1 46.4 51.9 -5.0 57 58 A Y H >X S+ 0 0 19 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.961 114.7 52.1 -65.7 -48.3 49.9 53.4 -5.5 58 59 A G H ><>S+ 0 0 0 -4,-3.1 5,-2.9 1,-0.2 3,-0.9 0.817 96.1 66.6 -55.8 -39.7 49.5 52.8 -9.3 59 60 A K H ><5S+ 0 0 172 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.861 105.9 43.9 -49.9 -39.1 46.2 54.6 -9.6 60 61 A E H <<5S+ 0 0 87 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.664 117.5 40.2 -84.6 -21.4 47.8 57.9 -8.8 61 62 A I T X<5S- 0 0 0 -3,-0.9 3,-2.3 -4,-0.6 -1,-0.2 -0.255 115.7 -93.0-130.4 43.9 51.0 57.7 -10.9 62 63 A E T < 5S- 0 0 112 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.807 78.6 -67.5 52.4 35.0 49.9 56.2 -14.2 63 64 A D T 3 S- 0 0 4 -29,-0.1 3,-1.1 -28,-0.1 6,-0.1 0.393 89.6 -22.0 125.4 83.5 63.1 44.0 -0.9 71 72 A A T 3 S- 0 0 69 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.867 122.9 -59.8 51.1 44.0 66.7 44.9 -1.4 72 73 A G T 3 S+ 0 0 14 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.686 83.2 172.9 60.4 21.3 67.0 41.9 -3.9 73 74 A D X - 0 0 22 -3,-1.1 3,-1.9 1,-0.2 -1,-0.2 -0.479 24.4-151.0 -66.2 113.8 66.0 39.5 -1.1 74 75 A N G > S+ 0 0 42 -2,-0.5 3,-1.4 1,-0.3 4,-0.4 0.627 87.8 71.5 -71.9 -17.3 65.6 36.1 -3.0 75 76 A R G 3 S+ 0 0 172 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.750 94.7 57.3 -63.8 -26.9 63.0 34.7 -0.6 76 77 A Q G <> S+ 0 0 35 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.477 81.0 91.8 -82.5 -0.9 60.6 37.3 -2.1 77 78 A A H <> S+ 0 0 2 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.923 87.3 45.0 -64.4 -47.7 61.2 35.9 -5.7 78 79 A A H > S+ 0 0 71 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.861 112.4 53.7 -60.8 -37.6 58.2 33.5 -5.6 79 80 A V H > S+ 0 0 39 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.935 109.4 47.0 -63.0 -46.5 56.0 36.2 -4.0 80 81 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 108.8 55.3 -62.2 -41.9 56.8 38.6 -6.8 81 82 A A H < S+ 0 0 8 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.876 111.4 45.2 -57.3 -37.5 56.2 35.9 -9.5 82 83 A E H >< S+ 0 0 75 -4,-1.6 3,-1.9 1,-0.2 4,-0.4 0.906 106.3 57.2 -75.1 -42.2 52.7 35.4 -8.0 83 84 A I H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 3,-2.2 0.873 96.9 68.2 -53.6 -38.3 51.9 39.2 -7.7 84 85 A A T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.678 88.6 62.5 -57.4 -25.8 52.5 39.3 -11.5 85 86 A K T <4 S+ 0 0 101 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.727 118.5 26.7 -65.4 -26.4 49.4 37.2 -12.1 86 87 A H T <4 S+ 0 0 98 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.1 0.588 130.3 24.8-118.4 -17.1 47.3 40.0 -10.6 87 88 A Y < - 0 0 10 -4,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.878 48.5-175.8-155.4 117.0 49.3 43.3 -11.1 88 89 A P - 0 0 24 0, 0.0 -21,-0.2 0, 0.0 24,-0.2 0.720 20.2-174.9 -82.7 -22.3 51.9 44.0 -13.8 89 90 A G - 0 0 8 1,-0.2 -23,-0.2 -23,-0.1 -25,-0.1 -0.253 48.3 -84.2 51.2-152.2 52.9 47.5 -12.7 90 91 A S S S+ 0 0 2 -25,-2.7 22,-0.8 1,-0.3 2,-0.3 0.487 109.2 27.6-112.3 -17.9 55.4 49.0 -15.2 91 92 A H E -jk 66 112B 0 -26,-1.7 -24,-2.8 20,-0.2 2,-0.4 -0.997 63.6-161.9-151.9 137.1 58.6 47.5 -13.9 92 93 A I E -jk 67 113B 0 20,-2.6 22,-2.6 -2,-0.3 2,-0.5 -0.988 10.5-147.5-134.1 125.1 59.4 44.3 -12.0 93 94 A N + 0 0 3 -26,-2.6 2,-0.3 -2,-0.4 22,-0.1 -0.773 33.4 164.2 -84.9 127.0 62.5 43.4 -10.0 94 95 A Q - 0 0 0 -2,-0.5 22,-2.0 20,-0.2 2,-0.2 -0.980 38.3-112.7-147.1 155.6 63.3 39.7 -10.2 95 96 A V B > -c 116 0A 0 -2,-0.3 3,-2.1 20,-0.2 4,-0.5 -0.611 43.4-103.4 -85.9 149.1 66.0 37.2 -9.5 96 97 A F G > S+ 0 0 22 20,-1.0 3,-1.3 1,-0.3 4,-0.4 0.826 115.9 45.2 -42.3 -51.8 67.6 35.4 -12.6 97 98 A P G 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.558 111.8 52.7 -80.2 -4.5 65.9 32.0 -12.3 98 99 A S G <> S+ 0 0 22 -3,-2.1 4,-1.6 2,-0.1 -2,-0.2 0.283 81.2 91.9-102.7 3.8 62.4 33.4 -11.6 99 100 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.5 5,-0.2 0.928 86.5 50.5 -59.8 -43.7 62.3 35.7 -14.7 100 101 A G H > S+ 0 0 23 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.898 110.4 47.3 -63.6 -45.3 60.6 33.0 -16.8 101 102 A A H > S+ 0 0 48 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.840 112.0 51.6 -61.1 -39.6 57.9 32.3 -14.3 102 103 A T H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.927 110.1 47.2 -70.8 -41.1 57.2 36.0 -13.9 103 104 A R H ><>S+ 0 0 64 -4,-2.4 3,-0.6 52,-0.3 5,-0.5 0.952 113.9 48.4 -64.7 -48.0 56.9 36.6 -17.6 104 105 A A H ><5S+ 0 0 71 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.924 109.0 54.2 -55.5 -49.0 54.6 33.6 -18.0 105 106 A N H 3<5S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.774 91.4 71.6 -60.5 -28.3 52.5 34.8 -15.1 106 107 A L T X<5S- 0 0 6 -4,-1.5 3,-1.7 -3,-0.6 -1,-0.3 0.728 92.7-148.3 -58.3 -20.5 51.9 38.2 -16.6 107 108 A G T < 5 - 0 0 70 -3,-2.0 -3,-0.1 -4,-0.4 -2,-0.1 0.787 68.2 -45.1 55.7 33.0 49.7 36.3 -19.1 108 109 A G T 3 S- 0 0 113 3,-0.4 3,-2.1 51,-0.0 2,-0.2 -0.944 74.5-131.0-127.7 107.2 86.1 38.7 -12.4 123 124 A V T 3 S+ 0 0 79 -2,-0.5 50,-0.1 1,-0.3 3,-0.1 -0.405 95.0 24.0 -63.9 124.2 85.8 41.3 -15.0 124 125 A G T 3 S+ 0 0 23 49,-0.3 21,-1.9 1,-0.2 2,-0.4 0.272 107.5 93.6 102.8 -4.3 83.5 40.0 -17.9 125 126 A Y E < - M 0 144C 78 -3,-2.1 -5,-0.4 19,-0.2 -3,-0.4 -0.957 50.5-166.8-129.7 137.7 81.6 37.5 -15.6 126 127 A V E - M 0 143C 0 17,-2.7 17,-2.5 -2,-0.4 2,-0.6 -0.900 24.5-121.8-121.7 149.4 78.4 37.7 -13.6 127 128 A N E +LM 118 142C 20 -9,-2.4 -9,-1.8 -2,-0.3 15,-0.2 -0.807 26.4 176.0 -89.3 115.4 76.9 35.4 -11.0 128 129 A I + 0 0 18 13,-2.2 2,-2.4 -2,-0.6 3,-0.2 0.442 54.5 101.3 -95.9 -4.9 73.4 34.2 -12.1 129 130 A S + 0 0 14 12,-0.6 -1,-0.1 1,-0.2 8,-0.1 -0.360 43.8 127.9 -76.6 62.7 72.9 31.9 -9.1 130 131 A T + 0 0 11 -2,-2.4 -1,-0.2 -14,-0.2 -14,-0.1 0.313 37.0 92.7-110.6 9.0 70.6 34.5 -7.4 131 132 A G S > S- 0 0 1 -3,-0.2 4,-3.0 -36,-0.1 5,-0.2 -0.431 91.9 -94.9 -88.3 177.3 67.5 32.5 -6.5 132 133 A P H > S+ 0 0 63 0, 0.0 4,-0.7 0, 0.0 -57,-0.1 0.882 121.4 37.5 -65.6 -46.3 67.2 30.9 -3.1 133 134 A I H 4 S+ 0 0 161 2,-0.2 3,-0.4 1,-0.1 4,-0.4 0.926 120.4 47.0 -71.3 -43.8 68.4 27.4 -3.8 134 135 A S H >4 S+ 0 0 42 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.922 110.0 52.3 -65.7 -41.6 71.1 28.6 -6.3 135 136 A A H 3< S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.768 106.9 55.1 -65.5 -20.0 72.4 31.4 -3.9 136 137 A A T 3< S+ 0 0 83 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.530 87.4 106.8 -93.6 -2.3 72.8 28.8 -1.1 137 138 A G S < S- 0 0 35 -3,-1.4 -3,-0.0 -4,-0.4 -8,-0.0 -0.255 78.7-117.7 -75.5 163.4 75.0 26.4 -3.1 138 139 A E S S+ 0 0 194 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.919 100.1 31.3 -66.4 -48.2 78.8 25.9 -2.6 139 140 A E S S- 0 0 179 -5,-0.0 2,-0.3 3,-0.0 -2,-0.1 -0.820 79.4-140.2-105.4 154.5 79.7 27.2 -6.1 140 141 A K - 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0 0 0 201,-2.3 22,-0.2 -2,-0.5 2,-0.2 -0.969 25.6-131.6-110.6 132.1 20.9 78.7 16.2 265 15 B L E -u 286 0F 2 20,-2.0 22,-2.1 -2,-0.5 2,-0.4 -0.527 13.0-160.4 -72.2 145.5 21.2 79.1 19.9 266 16 B N E +uv 287 468F 0 201,-1.9 203,-2.4 20,-0.2 2,-0.3 -0.939 26.6 152.2-125.9 111.7 20.5 76.2 22.2 267 17 B V E -uv 288 469F 0 20,-1.3 22,-3.8 -2,-0.4 2,-0.2 -0.885 41.2-106.4-130.2 163.1 19.7 77.2 25.8 268 18 B L E -u 289 0F 28 201,-0.5 2,-0.4 -2,-0.3 22,-0.2 -0.618 21.6-147.2 -92.2 149.4 17.6 75.7 28.6 269 19 B A - 0 0 13 20,-2.4 3,-0.1 -2,-0.2 211,-0.1 -0.969 3.9-158.3-116.1 137.3 14.2 76.8 29.9 270 20 B N S S- 0 0 70 -2,-0.4 2,-0.3 1,-0.2 210,-0.1 0.579 74.6 -17.0 -85.7 -16.6 13.1 76.5 33.5 271 21 B N S > S- 0 0 63 1,-0.1 4,-2.5 37,-0.0 -1,-0.2 -0.929 83.6 -80.0 177.0 167.5 9.3 76.6 32.9 272 22 B I H > S+ 0 0 60 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.855 125.7 52.3 -64.3 -35.9 7.0 77.7 30.2 273 23 B E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 111.4 47.5 -65.0 -42.7 7.1 81.4 30.9 274 24 B N H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.918 110.9 53.1 -59.6 -46.5 11.0 81.3 30.8 275 25 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 110.7 46.1 -53.9 -49.0 10.6 79.3 27.5 276 26 B K H X S+ 0 0 65 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.911 113.8 48.5 -61.2 -44.2 8.4 82.1 26.1 277 27 B D H X S+ 0 0 66 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.881 111.8 49.1 -65.7 -39.4 10.7 84.8 27.2 278 28 B I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 6,-0.2 0.938 109.7 51.6 -61.5 -48.8 13.8 83.1 25.8 279 29 B F H <>S+ 0 0 28 -4,-2.3 5,-2.3 1,-0.2 6,-0.2 0.889 113.1 45.8 -59.3 -41.5 12.0 82.6 22.5 280 30 B E H ><5S+ 0 0 150 -4,-2.2 3,-1.9 3,-0.2 -1,-0.2 0.952 111.7 50.9 -64.5 -49.5 11.2 86.3 22.4 281 31 B A H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 113.0 46.0 -62.4 -30.7 14.7 87.4 23.4 282 32 B A T ><5S- 0 0 0 -4,-2.5 3,-2.5 -5,-0.1 -1,-0.3 0.339 107.6-125.8 -88.3 3.2 16.3 85.2 20.7 283 33 B E T < 5S- 0 0 116 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.833 71.4 -58.0 50.2 34.7 13.8 86.4 18.1 284 34 B G T 3 - w 0 319F 36 -2,-0.4 3,-1.7 27,-0.2 29,-0.2 -0.743 11.2-152.5-100.0 126.7 15.4 67.8 30.1 292 42 B S G > S+ 0 0 1 27,-2.7 3,-1.7 -2,-0.5 -1,-0.1 0.805 95.9 67.9 -56.4 -31.3 14.1 64.2 30.1 293 43 B K G 3 S+ 0 0 91 27,-0.8 -1,-0.3 1,-0.3 28,-0.1 0.736 87.6 66.4 -64.9 -22.9 15.8 63.8 33.5 294 44 B D G < S+ 0 0 111 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.519 96.4 63.6 -78.0 -1.0 13.4 66.2 35.2 295 45 B Y S < S- 0 0 53 -3,-1.7 6,-0.1 -4,-0.2 -1,-0.0 -0.971 71.7-143.5-127.9 137.9 10.4 63.9 34.6 296 46 B P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.726 83.3 30.7 -73.2 -19.6 9.9 60.4 36.2 297 47 B T S > S- 0 0 62 1,-0.1 4,-1.9 -5,-0.0 5,-0.1 -0.897 76.9-117.9-134.5 159.1 8.2 58.9 33.1 298 48 B V H > S+ 0 0 39 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.910 115.9 55.3 -56.9 -43.3 8.2 59.3 29.3 299 49 B E H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 108.0 46.1 -61.4 -46.5 4.5 60.3 29.5 300 50 B E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 114.5 48.7 -63.9 -39.0 5.2 63.2 31.9 301 51 B A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.948 112.2 48.1 -62.1 -50.6 8.1 64.4 29.9 302 52 B V H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.919 111.3 51.8 -55.1 -47.2 6.1 64.2 26.6 303 53 B T H X S+ 0 0 77 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.944 114.1 40.9 -57.6 -53.1 3.2 66.1 28.3 304 54 B A H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.910 114.3 52.7 -66.7 -43.1 5.4 69.0 29.5 305 55 B X H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.912 109.9 48.4 -58.5 -42.8 7.5 69.1 26.3 306 56 B K H X S+ 0 0 108 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.850 110.6 53.0 -64.4 -34.5 4.3 69.4 24.2 307 57 B A H X S+ 0 0 40 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.900 110.7 45.5 -66.1 -45.6 3.1 72.2 26.6 308 58 B Y H >X S+ 0 0 19 -4,-2.5 3,-1.3 1,-0.2 4,-0.8 0.973 113.0 51.4 -60.0 -53.7 6.3 74.2 26.1 309 59 B G H ><>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.3 3,-0.7 0.829 98.1 65.2 -54.5 -38.1 6.2 73.6 22.3 310 60 B K H 3<5S+ 0 0 169 -4,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.871 108.0 42.1 -52.2 -38.0 2.6 74.9 22.1 311 61 B E H <<5S+ 0 0 82 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.626 120.9 38.7 -87.0 -16.1 3.8 78.3 23.2 312 62 B I T X<5S- 0 0 2 -4,-0.8 3,-2.1 -3,-0.7 -1,-0.2 -0.178 115.7 -93.2-132.3 44.2 7.1 78.5 21.1 313 63 B E T 3 5S- 0 0 121 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.828 77.2 -68.9 54.8 34.8 6.3 77.0 17.7 314 64 B D T 3 S+ 0 0 5 -29,-0.1 3,-0.9 -28,-0.1 6,-0.2 0.609 88.3 7.6 100.7 97.0 20.4 66.3 31.2 322 72 B A T 3 S- 0 0 75 1,-0.3 3,-0.1 3,-0.1 -3,-0.0 0.275 117.1 -83.4 90.5 -5.3 24.2 66.4 31.8 323 73 B G T 3 S+ 0 0 15 1,-0.2 -1,-0.3 21,-0.0 2,-0.2 0.510 81.7 175.9 62.6 11.9 24.7 64.6 28.5 324 74 B D X - 0 0 18 -3,-0.9 3,-1.8 1,-0.2 -1,-0.2 -0.292 26.9-147.6 -55.3 111.4 24.0 61.9 31.2 325 75 B N T > S+ 0 0 41 1,-0.3 3,-1.3 -2,-0.2 4,-0.3 0.594 87.5 72.9 -72.4 -12.5 23.9 58.7 29.2 326 76 B R T 3> S+ 0 0 176 1,-0.2 4,-0.5 2,-0.1 3,-0.5 0.769 92.6 60.8 -67.3 -21.9 21.2 56.8 31.2 327 77 B Q H <> S+ 0 0 28 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.551 80.0 87.8 -80.1 -6.8 18.8 59.3 29.7 328 78 B A H <> S+ 0 0 1 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.887 89.9 44.6 -61.2 -43.1 19.6 58.0 26.1 329 79 B A H > S+ 0 0 66 -3,-0.5 4,-1.4 -4,-0.3 -1,-0.2 0.844 113.7 53.0 -68.8 -33.3 17.0 55.2 26.2 330 80 B V H X S+ 0 0 42 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.927 109.3 46.7 -65.7 -45.6 14.5 57.6 27.7 331 81 B V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.886 108.5 55.7 -66.9 -38.5 15.0 60.2 24.9 332 82 B A H < S+ 0 0 6 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.870 111.0 45.8 -57.8 -36.8 14.7 57.4 22.2 333 83 B E H >X S+ 0 0 81 -4,-1.4 3,-1.7 1,-0.2 4,-0.5 0.908 106.7 56.8 -76.2 -40.3 11.3 56.5 23.7 334 84 B I H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 3,-1.9 0.874 97.5 66.2 -53.6 -36.2 10.2 60.2 23.9 335 85 B A H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.694 89.8 61.7 -66.0 -21.6 10.9 60.4 20.2 336 86 B K H <4 S+ 0 0 122 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.719 118.6 30.1 -69.8 -22.2 8.0 57.9 19.4 337 87 B H H << S+ 0 0 93 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.700 130.3 19.0-105.6 -30.7 5.7 60.5 21.0 338 88 B Y < - 0 0 14 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.0 -0.949 47.4-171.9-154.2 117.6 7.2 63.9 20.4 339 89 B P - 0 0 31 0, 0.0 24,-0.2 0, 0.0 -21,-0.2 0.681 21.7-172.1 -85.3 -18.7 9.8 65.0 17.8 340 90 B G - 0 0 5 1,-0.2 -23,-0.2 -23,-0.1 -25,-0.1 -0.234 48.0 -84.0 54.0-151.6 10.4 68.6 19.1 341 91 B S S S+ 0 0 5 -25,-2.6 22,-0.5 1,-0.4 2,-0.3 0.504 110.6 27.3-111.5 -12.4 12.6 70.5 16.7 342 92 B H E -xy 317 363F 0 -26,-1.5 -24,-2.8 20,-0.2 2,-0.4 -0.991 64.0-160.8-156.7 134.8 15.9 69.2 18.1 343 93 B I E -xy 318 364F 0 20,-2.6 22,-2.5 -2,-0.3 2,-0.4 -0.987 9.6-147.5-133.4 125.7 17.0 66.1 19.9 344 94 B N + 0 0 4 -26,-2.7 2,-0.3 -2,-0.4 22,-0.1 -0.731 32.7 160.4 -86.7 133.9 20.1 65.5 22.0 345 95 B Q - 0 0 0 -2,-0.4 22,-2.3 20,-0.1 2,-0.2 -0.991 38.7-111.9-156.3 156.4 21.5 62.0 21.8 346 96 B V B > -q 367 0E 0 -2,-0.3 3,-2.0 20,-0.2 4,-0.4 -0.624 43.6-102.5 -88.4 153.2 24.5 59.8 22.5 347 97 B F G > S+ 0 0 21 20,-1.0 3,-1.6 1,-0.3 4,-0.4 0.847 116.3 44.7 -46.9 -58.5 26.3 58.2 19.5 348 98 B P G 3 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.551 111.9 54.3 -70.5 -6.6 25.1 54.6 19.8 349 99 B S G <> S+ 0 0 23 -3,-2.0 4,-1.9 2,-0.1 -2,-0.2 0.304 80.1 92.1-103.1 3.7 21.4 55.7 20.3 350 100 B V H <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.925 86.1 49.6 -62.4 -44.9 21.1 57.9 17.3 351 101 B G H > S+ 0 0 24 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.891 110.6 47.5 -64.9 -45.3 19.8 55.1 15.1 352 102 B A H > S+ 0 0 51 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 112.4 51.7 -56.2 -44.6 17.1 54.0 17.6 353 103 B T H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.943 110.9 46.6 -66.3 -45.9 16.0 57.6 18.0 354 104 B R H ><>S+ 0 0 68 -4,-2.6 5,-0.6 52,-0.3 3,-0.5 0.926 113.9 47.6 -61.3 -45.5 15.7 58.2 14.2 355 105 B A H ><5S+ 0 0 71 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.940 108.4 56.1 -59.4 -47.2 13.7 54.9 13.7 356 106 B N H 3<5S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.734 91.8 69.5 -59.6 -26.0 11.5 55.8 16.6 357 107 B L T X<5S- 0 0 4 -4,-1.3 3,-1.8 -3,-0.5 -1,-0.3 0.707 95.0-148.1 -61.6 -19.5 10.5 59.1 15.0 358 108 B G T < 5 - 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