==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-MAR-04 1SO4 . COMPND 2 MOLECULE: 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.L.WISE,W.S.YEW,J.A.GERLT,I.RAYMENT . 428 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 18.7 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 . 37 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 2 0 3 3 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 8 4 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 3 A L 0 0 150 0, 0.0 209,-0.1 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 145.5 77.4 10.4 34.1 2 4 A P - 0 0 8 0, 0.0 183,-0.3 0, 0.0 182,-0.2 -0.352 360.0-126.0 -53.4 136.3 74.2 12.0 32.7 3 5 A M E -a 185 0A 43 181,-2.7 183,-2.7 180,-0.0 2,-0.5 -0.444 13.8-123.4 -81.9 163.3 74.5 12.0 28.9 4 6 A L E -a 186 0A 0 181,-0.2 24,-2.5 -2,-0.1 25,-1.7 -0.953 25.6-170.9-113.5 127.6 74.2 15.1 26.7 5 7 A Q E -ab 187 29A 0 181,-2.5 183,-2.5 -2,-0.5 2,-0.5 -0.952 12.2-147.8-119.0 131.2 71.5 15.1 23.9 6 8 A V E -ab 188 30A 0 23,-2.5 25,-2.8 -2,-0.4 2,-0.7 -0.875 12.9-141.9 -98.7 131.5 71.3 17.8 21.3 7 9 A A E - b 0 31A 4 181,-1.7 2,-1.3 -2,-0.5 186,-0.2 -0.814 4.0-155.7 -92.5 119.1 67.7 18.6 20.1 8 10 A L E + b 0 32A 0 23,-2.4 25,-1.8 -2,-0.7 2,-1.4 -0.694 22.3 168.5 -92.6 81.8 67.5 19.3 16.3 9 11 A D + 0 0 32 -2,-1.3 2,-0.3 23,-0.1 -1,-0.1 -0.579 30.7 134.3 -91.8 68.2 64.4 21.4 16.4 10 12 A N - 0 0 13 -2,-1.4 29,-0.3 23,-0.1 -2,-0.1 -0.845 58.3-138.9-118.8 152.7 65.0 22.4 12.8 11 13 A Q S S+ 0 0 90 -2,-0.3 2,-0.3 28,-0.1 -1,-0.1 0.741 86.1 30.9 -86.8 -20.1 62.5 22.6 9.9 12 14 A T S > S- 0 0 53 1,-0.1 4,-1.9 28,-0.1 5,-0.1 -0.928 77.9-119.2-135.7 156.7 64.9 21.2 7.2 13 15 A M H > S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.906 112.8 56.5 -62.8 -42.7 67.8 18.7 7.1 14 16 A D H > S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 106.5 49.6 -60.8 -35.5 70.2 21.4 5.9 15 17 A S H >> S+ 0 0 34 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.934 111.2 49.9 -63.7 -43.0 69.4 23.6 8.8 16 18 A A H >X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 3,-1.2 0.918 105.6 57.4 -60.5 -40.6 70.0 20.6 11.2 17 19 A Y H 3X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.774 92.5 68.1 -65.5 -26.4 73.3 19.9 9.5 18 20 A E H << S+ 0 0 97 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.858 111.9 34.8 -55.7 -35.7 74.5 23.5 10.3 19 21 A T H XX S+ 0 0 10 -3,-1.2 4,-1.9 -4,-0.8 3,-1.6 0.907 115.9 51.3 -82.4 -49.9 74.5 22.2 13.9 20 22 A T H 3X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.3 5,-0.3 0.870 101.9 61.3 -65.6 -31.7 75.5 18.6 13.5 21 23 A R H 3< S+ 0 0 187 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.719 113.8 38.6 -63.5 -20.8 78.6 19.5 11.4 22 24 A L H <4 S+ 0 0 81 -3,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.822 133.3 14.7 -88.5 -44.3 79.8 21.5 14.5 23 25 A I H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.1 4,-0.4 0.364 81.4 108.8-124.6 5.0 78.8 19.3 17.5 24 26 A A G >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.3 -3,-0.1 0.881 90.7 46.1 -56.5 -37.2 77.9 15.8 16.5 25 27 A E G 3 S+ 0 0 117 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.598 105.4 62.6 -80.2 -6.9 81.1 14.5 18.1 26 28 A E G < S+ 0 0 42 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 0.368 100.6 55.5 -99.2 -1.2 80.5 16.6 21.2 27 29 A V < - 0 0 0 -3,-0.8 -22,-0.2 -4,-0.4 3,-0.1 -0.838 66.3-141.5-126.3 168.5 77.3 14.9 22.3 28 30 A D S S+ 0 0 43 -24,-2.5 28,-1.7 -2,-0.3 2,-0.4 0.742 86.0 36.6 -97.5 -30.7 76.0 11.4 23.1 29 31 A I E -bc 5 56A 0 -25,-1.7 -23,-2.5 26,-0.2 2,-0.6 -0.992 62.3-155.3-131.3 132.8 72.5 11.6 21.6 30 32 A I E -bc 6 57A 0 26,-2.8 28,-2.0 -2,-0.4 2,-0.5 -0.952 17.7-155.2-107.7 119.8 71.2 13.3 18.5 31 33 A E E -bc 7 58A 6 -25,-2.8 -23,-2.4 -2,-0.6 2,-1.0 -0.833 14.3-146.9 -98.4 128.6 67.6 14.1 18.6 32 34 A V E -bc 8 59A 0 26,-3.0 28,-2.9 -2,-0.5 -23,-0.1 -0.826 37.0-136.9 -82.2 101.6 65.4 14.5 15.6 33 35 A G >> - 0 0 0 -25,-1.8 4,-2.6 -2,-1.0 3,-0.6 -0.202 16.2-110.1 -62.5 161.0 63.1 17.1 17.1 34 36 A T H 3> S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 121.8 57.5 -56.5 -38.1 59.4 17.0 16.7 35 37 A I H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 109.8 44.0 -59.5 -37.0 59.8 20.1 14.5 36 38 A L H <>>S+ 0 0 0 -3,-0.6 4,-2.8 -28,-0.4 5,-0.9 0.865 109.8 55.5 -77.5 -38.6 62.2 18.1 12.2 37 39 A C H X5S+ 0 0 6 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.912 115.4 39.3 -58.2 -40.0 59.9 15.0 12.2 38 40 A V H <5S+ 0 0 9 -4,-2.5 219,-1.8 -5,-0.2 -2,-0.2 0.859 118.2 49.1 -81.9 -34.0 57.1 17.2 11.0 39 41 A G H <5S+ 0 0 13 -4,-1.9 219,-0.4 -29,-0.3 -2,-0.2 0.892 133.9 6.2 -68.8 -46.1 59.2 19.2 8.6 40 42 A E H <5S- 0 0 52 -4,-2.8 3,-0.5 1,-0.2 -3,-0.2 0.579 96.0-138.4-116.3 -20.5 61.1 16.4 6.8 41 43 A G ><< - 0 0 1 -4,-0.9 3,-2.4 -5,-0.9 4,-0.3 -0.308 56.0 -33.5 79.4-172.3 59.5 13.2 8.1 42 44 A V T >> S+ 0 0 15 211,-2.2 4,-1.8 1,-0.3 3,-0.9 0.674 120.2 82.1 -66.5 -13.4 61.1 10.0 9.0 43 45 A R H 3> S+ 0 0 120 -3,-0.5 4,-2.8 211,-0.4 -1,-0.3 0.842 84.4 64.2 -54.1 -30.0 63.8 10.5 6.3 44 46 A A H <> S+ 0 0 0 -3,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 102.2 46.2 -62.4 -38.8 65.4 12.8 9.0 45 47 A V H <> S+ 0 0 1 -3,-0.9 4,-2.5 -4,-0.3 5,-0.3 0.932 114.1 48.4 -64.8 -48.6 66.0 9.8 11.3 46 48 A R H X S+ 0 0 111 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.917 114.6 44.8 -59.7 -46.4 67.3 7.6 8.4 47 49 A D H X S+ 0 0 39 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.921 113.7 47.8 -68.8 -41.1 69.7 10.3 7.2 48 50 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.905 111.4 49.8 -71.0 -41.3 71.0 11.3 10.6 49 51 A K H < S+ 0 0 33 -4,-2.5 -1,-0.2 28,-0.2 -2,-0.2 0.890 110.2 52.4 -63.6 -36.1 71.7 7.7 11.8 50 52 A A H < S+ 0 0 79 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.885 114.2 42.8 -64.2 -40.6 73.5 7.1 8.5 51 53 A L H < S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.868 130.9 23.6 -68.5 -39.8 75.7 10.1 9.2 52 54 A Y >< + 0 0 31 -4,-2.3 3,-1.9 -5,-0.1 -1,-0.2 -0.529 67.9 156.5-130.6 58.4 76.2 9.4 12.9 53 55 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.756 73.4 60.0 -66.9 -19.9 75.7 5.6 13.3 54 56 A H T 3 S+ 0 0 112 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.388 95.8 78.1 -84.6 -3.2 77.9 5.6 16.5 55 57 A K S < S- 0 0 28 -3,-1.9 2,-0.4 -6,-0.2 -26,-0.2 -0.790 90.2-107.8-103.8 150.4 75.5 8.0 18.2 56 58 A I E -c 29 0A 48 -28,-1.7 -26,-2.8 -2,-0.3 2,-0.5 -0.694 34.3-152.6 -69.4 129.6 72.2 7.3 19.8 57 59 A V E -c 30 0A 0 -2,-0.4 23,-2.7 -28,-0.2 24,-1.9 -0.949 8.6-166.2-111.3 120.3 69.4 8.7 17.6 58 60 A L E -cd 31 81A 1 -28,-2.0 -26,-3.0 -2,-0.5 2,-0.8 -0.921 10.8-150.9-106.2 125.5 66.1 9.7 19.3 59 61 A A E -cd 32 82A 0 22,-2.6 2,-2.0 -2,-0.5 24,-1.6 -0.889 6.9-155.3 -94.1 111.0 63.1 10.4 17.1 60 62 A D E + 0 0 8 -28,-2.9 -23,-0.2 -2,-0.8 22,-0.1 -0.433 41.0 144.6 -85.6 68.1 61.0 12.9 19.1 61 63 A A E - 0 0 15 -2,-2.0 -1,-0.2 22,-0.1 3,-0.2 0.700 46.7-147.1 -83.2 -21.5 57.8 11.9 17.4 62 64 A A E - 0 0 7 -3,-0.3 22,-0.3 1,-0.2 -2,-0.1 0.929 21.3-147.4 54.4 48.9 55.6 12.4 20.5 63 65 A I E + d 0 84A 1 20,-2.2 22,-1.6 1,-0.1 25,-0.2 -0.266 27.4 176.9 -56.0 123.0 53.4 9.5 19.4 64 66 A A - 0 0 10 1,-0.3 25,-0.6 -3,-0.2 2,-0.3 0.596 65.8 -12.5-103.7 -19.9 49.8 10.1 20.5 65 67 A D S S+ 0 0 36 23,-0.1 -1,-0.3 1,-0.1 5,-0.2 -0.942 108.8 57.7-169.1 171.3 48.2 7.0 18.9 66 68 A A > + 0 0 6 -2,-0.3 4,-2.7 -3,-0.1 5,-0.4 0.920 61.5 175.3 59.4 49.8 48.9 4.3 16.5 67 69 A G H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.841 71.3 46.3 -56.4 -40.1 51.9 3.3 18.6 68 70 A K H > S+ 0 0 107 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.905 115.4 45.7 -72.9 -38.9 52.9 0.2 16.7 69 71 A I H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.963 117.2 41.1 -68.9 -55.1 52.6 1.9 13.3 70 72 A L H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.910 116.2 49.4 -64.6 -36.5 54.5 5.1 14.1 71 73 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.4 5,-0.3 0.943 108.9 52.4 -72.8 -39.3 57.2 3.4 16.1 72 74 A R H X S+ 0 0 80 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.912 107.3 53.0 -58.9 -39.4 57.8 0.9 13.4 73 75 A M H X S+ 0 0 7 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.926 112.7 44.8 -61.3 -44.0 58.3 3.7 10.9 74 76 A C H <>S+ 0 0 2 -4,-1.9 5,-2.2 2,-0.2 3,-0.3 0.917 115.4 46.3 -65.5 -43.4 60.9 5.3 13.2 75 77 A F H ><5S+ 0 0 2 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.885 107.4 55.8 -72.7 -33.3 62.6 2.0 13.9 76 78 A E H 3<5S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 104.7 56.1 -63.7 -26.3 62.7 1.0 10.2 77 79 A A T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -28,-0.2 0.279 129.3-102.3 -87.6 10.4 64.5 4.4 9.7 78 80 A N T < 5 + 0 0 90 -3,-1.8 -3,-0.2 1,-0.2 -21,-0.2 0.638 62.2 163.7 78.1 20.3 67.1 3.2 12.3 79 81 A A < - 0 0 7 -5,-2.2 -1,-0.2 1,-0.1 -21,-0.2 -0.316 28.2-159.3 -56.1 144.7 66.0 5.1 15.4 80 82 A D S S+ 0 0 45 -23,-2.7 26,-1.8 1,-0.3 2,-0.3 0.783 76.8 14.8 -86.9 -43.7 67.4 3.9 18.7 81 83 A W E -de 58 106A 28 -24,-1.9 -22,-2.6 24,-0.2 2,-0.3 -0.934 63.8-165.8-132.9 154.9 64.7 5.5 20.8 82 84 A V E -de 59 107A 0 24,-1.7 26,-2.5 -2,-0.3 2,-0.3 -0.974 17.3-127.3-139.1 149.7 61.3 7.1 20.2 83 85 A T E - e 0 108A 0 -24,-1.6 -20,-2.2 -2,-0.3 2,-0.4 -0.802 12.6-165.3 -98.4 144.9 59.0 9.3 22.3 84 86 A V E -de 63 109A 0 24,-2.3 26,-2.9 -2,-0.3 -20,-0.2 -0.997 30.4-115.7-124.3 129.5 55.3 8.7 23.2 85 87 A I E > - e 0 110A 2 -22,-1.6 3,-2.0 -2,-0.4 26,-0.2 -0.336 24.6-120.0 -68.7 143.9 53.3 11.6 24.6 86 88 A C T 3 S+ 0 0 0 24,-2.0 -1,-0.1 1,-0.3 25,-0.1 0.791 108.4 56.1 -61.6 -32.6 52.1 11.1 28.2 87 89 A a T 3 S+ 0 0 4 23,-0.2 -1,-0.3 241,-0.1 243,-0.1 0.478 79.8 120.3 -81.9 1.1 48.4 11.4 27.4 88 90 A A S < S- 0 0 5 -3,-2.0 -23,-0.1 -25,-0.2 5,-0.1 -0.293 81.2 -91.2 -51.8 145.5 48.5 8.6 24.8 89 91 A D >> - 0 0 43 -25,-0.6 3,-1.5 1,-0.1 4,-1.5 -0.268 37.5-115.8 -50.8 143.2 46.3 5.6 25.6 90 92 A I H 3> S+ 0 0 28 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.833 117.3 59.5 -56.1 -31.3 48.3 3.0 27.6 91 93 A N H 3> S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.768 99.8 57.1 -69.6 -26.3 47.9 0.6 24.7 92 94 A T H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.939 109.2 44.7 -66.7 -48.9 49.8 3.1 22.5 93 95 A A H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.894 114.8 48.9 -60.0 -41.1 52.8 3.1 24.9 94 96 A K H X S+ 0 0 103 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.902 111.1 50.4 -65.8 -40.4 52.6 -0.7 25.1 95 97 A G H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 110.5 48.2 -63.0 -45.6 52.4 -1.0 21.3 96 98 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.915 111.9 51.2 -63.2 -42.7 55.4 1.3 20.7 97 99 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 105.7 54.3 -61.3 -43.6 57.4 -0.6 23.3 98 100 A D H X S+ 0 0 85 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.932 112.6 43.6 -57.2 -44.8 56.6 -4.0 21.8 99 101 A V H >X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 3,-0.6 0.942 108.5 58.5 -65.8 -44.1 57.9 -2.8 18.4 100 102 A A H ><>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-1.0 0.908 102.2 55.7 -52.5 -39.5 61.0 -1.1 20.1 101 103 A K H ><5S+ 0 0 133 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.869 99.3 59.5 -65.3 -34.3 61.9 -4.5 21.5 102 104 A E H <<5S+ 0 0 109 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.783 114.2 37.5 -56.5 -31.9 62.0 -6.1 18.0 103 105 A F T <<5S- 0 0 76 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.224 113.7-114.1-105.5 10.8 64.6 -3.5 17.0 104 106 A N T < 5S+ 0 0 157 -3,-1.3 -3,-0.2 -4,-0.2 2,-0.1 0.816 79.3 124.6 52.0 35.9 66.5 -3.5 20.4 105 107 A G < - 0 0 18 -5,-3.0 2,-0.3 -6,-0.2 -24,-0.2 -0.237 51.3-128.3-103.0-163.8 65.4 0.0 20.8 106 108 A D E -e 81 0A 40 -26,-1.8 -24,-1.7 -2,-0.1 2,-0.4 -0.956 2.6-132.2-150.3 161.3 63.5 1.8 23.5 107 109 A V E -e 82 0A 0 -2,-0.3 23,-0.5 -26,-0.2 2,-0.4 -0.949 13.5-162.1-117.3 139.5 60.6 4.1 24.2 108 110 A Q E -ef 83 130A 1 -26,-2.5 -24,-2.3 -2,-0.4 2,-0.5 -0.965 17.3-133.6-115.9 135.8 60.5 7.2 26.4 109 111 A I E -ef 84 131A 0 21,-2.1 23,-2.8 -2,-0.4 2,-0.7 -0.782 20.9-138.3 -85.8 125.7 57.3 8.7 27.8 110 112 A E E -ef 85 132A 7 -26,-2.9 -24,-2.0 -2,-0.5 2,-1.1 -0.787 10.6-159.4 -88.4 116.4 57.3 12.5 27.2 111 113 A L E + f 0 133A 1 21,-2.9 23,-2.1 -2,-0.7 2,-0.4 -0.822 34.9 144.2-100.6 91.8 56.0 14.3 30.2 112 114 A T - 0 0 2 -2,-1.1 2,-0.2 2,-0.2 -26,-0.1 -0.992 63.4 -20.2-134.6 122.8 54.9 17.6 28.8 113 115 A G S S+ 0 0 31 -2,-0.4 2,-0.3 21,-0.4 190,-0.2 -0.502 116.5 15.2 75.7-145.3 51.9 19.3 30.2 114 116 A Y + 0 0 90 188,-1.3 2,-0.3 -2,-0.2 -2,-0.2 -0.452 68.6 132.9 -78.4 128.3 49.2 17.3 32.1 115 117 A W - 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0 0 90 0, 0.0 -18,-0.4 0, 0.0 -3,-0.1 -0.279 39.1-177.1 -78.4 65.3 24.8 17.3 16.5 398 185 B I - 0 0 3 -2,-2.6 -18,-0.2 -5,-0.3 3,-0.1 -0.295 17.8-155.5 -64.5 135.2 28.1 15.7 15.5 399 186 B H - 0 0 34 -20,-2.6 -181,-2.5 1,-0.3 2,-0.3 0.932 69.9 -0.5 -79.0 -42.8 30.2 18.1 13.4 400 187 B V E -ip 218 380B 0 -21,-0.9 -19,-2.4 -183,-0.3 2,-0.5 -0.995 53.3-152.3-150.3 136.4 32.3 15.5 11.5 401 188 B F E -ip 219 381B 0 -183,-2.6 -181,-2.6 -2,-0.3 2,-0.4 -0.979 20.4-150.6-105.9 132.7 32.8 11.8 11.4 402 189 B I E -i 220 0B 4 -21,-2.1 -19,-0.4 -2,-0.5 2,-0.4 -0.866 13.8-177.1-100.6 135.9 36.3 10.6 10.3 403 190 B A E +i 221 0B 1 -183,-2.7 -181,-1.7 -2,-0.4 -17,-0.1 -0.992 15.5 153.5-128.5 127.9 36.8 7.4 8.6 404 191 B G S >> S+ 0 0 13 -2,-0.4 4,-2.8 -183,-0.2 3,-1.4 0.684 77.5 23.6-108.0 -87.2 40.3 6.1 7.7 405 192 B R H 3> S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.837 116.9 62.4 -50.9 -41.9 40.5 2.4 7.4 406 193 B S H 34 S+ 0 0 37 -21,-0.3 -1,-0.3 1,-0.2 -19,-0.1 0.731 118.4 28.4 -65.1 -23.0 36.8 1.9 6.6 407 194 B I H X4 S+ 0 0 0 -3,-1.4 3,-1.0 -185,-0.1 -2,-0.2 0.822 122.6 46.2 -93.3 -53.2 37.2 3.9 3.5 408 195 B R H 3< S+ 0 0 31 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.857 118.7 41.0 -62.8 -37.7 40.8 3.4 2.4 409 196 B D T 3< S+ 0 0 115 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.380 88.0 115.7 -95.1 2.7 40.8 -0.4 2.9 410 197 B A S < S- 0 0 30 -3,-1.0 4,-0.1 -5,-0.2 -3,-0.1 -0.296 78.1-117.8 -68.4 153.0 37.4 -1.1 1.5 411 198 B A S S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.919 114.8 23.0 -54.6 -40.6 37.0 -3.2 -1.7 412 199 B S S > S- 0 0 56 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.869 70.1-172.6-124.6 97.9 35.5 -0.1 -3.2 413 200 B P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 87.5 56.4 -54.6 -38.6 36.5 3.2 -1.4 414 201 B V H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.954 110.5 42.2 -61.9 -48.7 34.1 5.1 -3.5 415 202 B E H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 111.6 55.6 -69.2 -30.4 31.1 3.0 -2.4 416 203 B A H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.951 110.5 45.4 -62.1 -47.7 32.3 2.9 1.2 417 204 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 113.2 50.7 -61.9 -44.5 32.4 6.7 1.3 418 205 B R H X S+ 0 0 103 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.875 108.0 52.9 -60.6 -41.8 28.9 6.8 -0.4 419 206 B Q H X S+ 0 0 82 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.919 108.6 49.6 -58.1 -45.7 27.5 4.4 2.2 420 207 B F H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 112.4 48.5 -58.2 -46.4 28.7 6.6 5.0 421 208 B K H X S+ 0 0 69 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 112.1 48.5 -63.1 -43.1 27.1 9.6 3.3 422 209 B R H X S+ 0 0 133 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.887 112.4 48.3 -62.5 -44.6 23.8 7.8 2.7 423 210 B S H X S+ 0 0 32 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.931 111.7 49.4 -64.0 -43.4 23.7 6.6 6.3 424 211 B I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.906 108.8 53.1 -58.4 -44.5 24.4 10.0 7.7 425 212 B A H < S+ 0 0 46 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.834 114.0 42.9 -65.7 -31.1 21.7 11.6 5.5 426 213 B E H < S+ 0 0 162 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.933 115.9 46.1 -77.5 -46.5 19.2 9.1 6.9 427 214 B L H < S+ 0 0 28 -4,-2.8 -32,-0.3 1,-0.2 -2,-0.2 0.794 125.9 29.6 -69.6 -28.7 20.2 9.3 10.5 428 215 B W < 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.285 360.0 360.0-113.1 5.7 20.4 13.1 10.7 429 216 B G 0 0 96 -4,-0.4 -1,-0.1 -3,-0.3 -2,-0.1 0.453 360.0 360.0 -78.7 360.0 17.8 13.8 8.1