==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-AUG-03 1Q6R . 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 . 429 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 18.4 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 . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 7 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 2 A S 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.4 78.4 6.4 34.6 2 3 A L - 0 0 90 1,-0.1 2,-0.1 212,-0.1 209,-0.1 -0.451 360.0 -89.6 -71.6 152.9 78.3 10.2 34.1 3 4 A P - 0 0 9 0, 0.0 183,-0.3 0, 0.0 182,-0.2 -0.443 49.1-126.1 -53.8 135.8 75.2 11.9 32.7 4 5 A M E -a 186 0A 42 181,-2.7 183,-2.7 -2,-0.1 2,-0.5 -0.381 12.1-124.2 -85.2 161.8 75.3 12.0 28.9 5 6 A L E -a 187 0A 0 181,-0.2 24,-2.3 -2,-0.1 25,-1.5 -0.940 25.1-171.8-112.8 126.8 74.9 15.0 26.8 6 7 A Q E -ab 188 30A 0 181,-2.4 183,-2.4 -2,-0.5 2,-0.4 -0.965 11.4-149.4-117.2 136.4 72.2 15.1 24.0 7 8 A V E -ab 189 31A 0 23,-2.3 25,-2.7 -2,-0.4 2,-0.6 -0.902 11.5-142.2-106.2 135.0 71.9 17.8 21.4 8 9 A A E - b 0 32A 2 181,-1.6 2,-1.2 -2,-0.4 186,-0.2 -0.868 3.2-154.3 -98.5 118.4 68.4 18.5 20.1 9 10 A L E + b 0 33A 0 23,-2.7 25,-1.5 -2,-0.6 2,-1.0 -0.735 22.8 168.8 -90.7 85.2 68.2 19.3 16.4 10 11 A D + 0 0 37 -2,-1.2 2,-0.3 23,-0.1 -1,-0.1 -0.471 30.6 129.7 -94.8 65.6 65.1 21.4 16.4 11 12 A N - 0 0 14 -2,-1.0 29,-0.2 23,-0.1 -2,-0.1 -0.760 60.6-134.1-116.4 159.2 65.6 22.6 12.9 12 13 A Q S S+ 0 0 91 -2,-0.3 2,-0.3 28,-0.1 -1,-0.1 0.689 85.9 32.7 -90.9 -18.7 63.1 22.6 10.0 13 14 A T S > S- 0 0 51 1,-0.1 4,-2.0 28,-0.1 3,-0.2 -0.952 77.3-119.3-135.4 158.2 65.4 21.2 7.3 14 15 A M H > S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.885 112.6 56.4 -61.9 -44.8 68.3 18.8 7.2 15 16 A D H > S+ 0 0 106 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.886 107.5 48.7 -60.2 -34.4 70.7 21.4 5.8 16 17 A S H >> S+ 0 0 33 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.906 110.8 51.0 -66.7 -43.0 70.0 23.6 8.8 17 18 A A H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.2 0.898 105.2 56.9 -59.1 -43.4 70.5 20.6 11.2 18 19 A Y H 3X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.770 92.2 68.7 -63.4 -24.7 73.9 19.9 9.5 19 20 A E H << S+ 0 0 100 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.844 111.7 34.8 -58.7 -32.3 75.1 23.4 10.3 20 21 A T H XX S+ 0 0 10 -3,-1.2 4,-2.2 -4,-0.7 3,-1.7 0.897 116.2 51.6 -87.0 -51.5 75.0 22.2 13.9 21 22 A T H 3X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 5,-0.3 0.847 101.6 61.4 -60.7 -34.0 76.1 18.6 13.5 22 23 A R H 3< S+ 0 0 183 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.679 114.2 37.6 -64.5 -20.7 79.1 19.5 11.4 23 24 A L H <4 S+ 0 0 84 -3,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.796 132.8 17.0 -90.3 -42.1 80.4 21.4 14.5 24 25 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.1 4,-0.3 0.359 81.6 106.7-123.4 6.5 79.3 19.3 17.4 25 26 A A G >< S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.3 -1,-0.1 0.867 91.3 45.2 -58.6 -33.9 78.5 15.7 16.4 26 27 A E G 3 S+ 0 0 114 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.515 106.1 63.0 -87.5 -3.4 81.7 14.4 18.0 27 28 A E G < S+ 0 0 42 -3,-1.7 2,-0.3 180,-0.0 -1,-0.2 0.316 101.3 53.0-100.1 -0.7 81.2 16.5 21.1 28 29 A V < - 0 0 0 -3,-0.8 -22,-0.2 -4,-0.3 3,-0.1 -0.869 66.1-140.7-131.6 167.2 78.0 14.8 22.3 29 30 A D S S+ 0 0 44 -24,-2.3 28,-1.7 -2,-0.3 2,-0.4 0.718 85.9 37.3 -97.0 -30.5 76.7 11.4 23.0 30 31 A I E -bc 6 57A 0 -25,-1.5 -23,-2.3 26,-0.2 2,-0.6 -0.993 62.6-156.0-131.3 127.9 73.1 11.5 21.7 31 32 A I E -bc 7 58A 0 26,-2.9 28,-2.2 -2,-0.4 2,-0.5 -0.950 17.4-154.6-105.1 118.8 71.9 13.2 18.6 32 33 A E E -bc 8 59A 6 -25,-2.7 -23,-2.7 -2,-0.6 2,-1.0 -0.859 13.6-147.2 -98.9 126.9 68.2 14.0 18.7 33 34 A V E -bc 9 60A 0 26,-3.0 28,-2.7 -2,-0.5 -23,-0.1 -0.826 36.9-137.3 -82.1 105.4 66.0 14.5 15.7 34 35 A G >> - 0 0 0 -25,-1.5 4,-2.5 -2,-1.0 3,-0.6 -0.142 16.1-108.8 -66.6 162.0 63.7 17.0 17.2 35 36 A T H 3> S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.901 121.0 55.8 -56.6 -42.1 60.0 17.1 16.8 36 37 A I H 3> S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.849 109.8 45.0 -59.3 -38.5 60.3 20.1 14.6 37 38 A L H <>>S+ 0 0 0 -3,-0.6 4,-2.8 -28,-0.4 5,-0.6 0.862 109.5 54.6 -76.5 -37.2 62.7 18.2 12.3 38 39 A C H X5S+ 0 0 8 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.908 114.8 41.6 -59.5 -40.8 60.5 15.1 12.2 39 40 A V H <5S+ 0 0 20 -4,-2.5 219,-2.0 -5,-0.2 -2,-0.2 0.842 117.2 48.3 -76.2 -32.7 57.6 17.3 11.1 40 41 A G H <5S+ 0 0 15 -4,-1.6 219,-0.4 217,-0.2 -2,-0.2 0.912 134.4 6.7 -72.4 -45.8 59.7 19.3 8.7 41 42 A E H <5S- 0 0 52 -4,-2.8 3,-0.5 1,-0.2 -3,-0.2 0.589 94.0-138.0-117.6 -18.6 61.5 16.4 6.9 42 43 A G ><< - 0 0 1 -4,-1.5 3,-2.5 -5,-0.6 4,-0.3 -0.231 56.5 -34.0 74.5-171.5 59.9 13.2 8.1 43 44 A V T >> S+ 0 0 16 211,-2.3 4,-1.9 1,-0.3 3,-0.8 0.651 119.4 81.9 -65.1 -13.6 61.6 10.0 9.1 44 45 A R H 3> S+ 0 0 124 -3,-0.5 4,-2.8 211,-0.3 -1,-0.3 0.809 83.9 65.8 -58.2 -25.8 64.3 10.4 6.4 45 46 A A H <> S+ 0 0 0 -3,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 102.2 45.9 -63.6 -37.3 65.9 12.7 9.0 46 47 A V H <> S+ 0 0 1 -3,-0.8 4,-2.4 -4,-0.3 5,-0.2 0.934 113.8 48.0 -68.3 -47.0 66.5 9.8 11.3 47 48 A R H X S+ 0 0 108 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.923 114.0 46.5 -60.5 -45.9 67.8 7.6 8.5 48 49 A D H X S+ 0 0 40 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.927 113.1 47.7 -64.1 -46.9 70.2 10.3 7.2 49 50 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.906 111.0 50.6 -69.2 -36.0 71.6 11.2 10.7 50 51 A K H < S+ 0 0 35 -4,-2.4 -1,-0.2 28,-0.2 -2,-0.2 0.877 109.4 52.2 -68.3 -33.8 72.2 7.6 11.7 51 52 A A H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.895 114.5 42.7 -63.9 -42.5 74.0 7.0 8.4 52 53 A L H < S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.858 130.5 23.7 -66.7 -38.7 76.2 10.0 9.1 53 54 A Y >< + 0 0 32 -4,-2.3 3,-1.8 -5,-0.1 -1,-0.2 -0.599 67.8 156.5-131.8 58.2 76.8 9.3 12.9 54 55 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.734 72.7 60.5 -69.9 -15.7 76.3 5.5 13.3 55 56 A H T 3 S+ 0 0 114 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.358 96.1 78.2 -85.8 -4.7 78.4 5.4 16.4 56 57 A K S < S- 0 0 28 -3,-1.8 2,-0.4 -6,-0.2 -26,-0.2 -0.797 90.3-107.2-104.8 151.6 76.1 7.9 18.2 57 58 A I E -c 30 0A 48 -28,-1.7 -26,-2.9 -2,-0.3 2,-0.5 -0.677 34.7-154.8 -70.5 125.3 72.8 7.2 19.8 58 59 A V E -c 31 0A 0 -2,-0.4 23,-3.0 -28,-0.2 24,-1.9 -0.944 7.4-165.4-107.7 124.2 70.0 8.7 17.6 59 60 A L E -cd 32 82A 1 -28,-2.2 -26,-3.0 -2,-0.5 2,-0.8 -0.929 11.7-149.6-110.5 127.2 66.8 9.6 19.3 60 61 A A E -cd 33 83A 0 22,-2.8 2,-1.8 -2,-0.5 24,-1.6 -0.893 8.5-156.3 -95.9 109.1 63.6 10.3 17.2 61 62 A D E + 0 0 6 -28,-2.7 -23,-0.1 -2,-0.8 22,-0.1 -0.443 40.4 143.9 -85.6 64.8 61.7 12.9 19.3 62 63 A A E - 0 0 19 -2,-1.8 -1,-0.2 22,-0.1 3,-0.2 0.644 47.9-145.5 -80.4 -18.5 58.4 11.9 17.7 63 64 A K E - 0 0 25 -3,-0.3 22,-0.3 1,-0.2 -2,-0.1 0.931 22.4-146.8 49.6 52.3 56.3 12.4 20.8 64 65 A I E + d 0 85A 3 20,-2.4 22,-2.0 1,-0.1 25,-0.2 -0.301 25.8 178.8 -55.6 126.2 54.0 9.5 19.8 65 66 A A - 0 0 7 1,-0.3 25,-0.5 20,-0.2 2,-0.3 0.639 64.4 -16.6-101.9 -24.2 50.4 10.1 20.9 66 67 A D S S+ 0 0 12 23,-0.1 -1,-0.3 1,-0.1 5,-0.2 -0.937 107.7 62.1-171.0 173.1 48.7 7.0 19.4 67 68 A A > + 0 0 10 -2,-0.3 4,-2.5 -3,-0.1 5,-0.4 0.939 62.0 175.6 56.3 48.6 49.4 4.3 16.9 68 69 A G H > + 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.883 69.9 44.9 -54.1 -46.9 52.4 3.2 19.0 69 70 A K H > S+ 0 0 130 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.918 115.4 47.1 -71.1 -36.3 53.3 0.2 17.0 70 71 A I H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.960 117.3 39.9 -68.5 -52.7 53.0 1.8 13.6 71 72 A L H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.891 115.3 51.4 -65.5 -40.6 54.9 5.0 14.4 72 73 A S H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 5,-0.3 0.944 108.6 52.6 -63.2 -42.1 57.6 3.4 16.4 73 74 A R H X S+ 0 0 77 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.887 105.8 53.3 -63.6 -39.4 58.2 0.9 13.7 74 75 A M H X S+ 0 0 6 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.931 112.8 44.9 -57.5 -46.0 58.7 3.7 11.1 75 76 A C H <>S+ 0 0 2 -4,-1.8 5,-2.0 2,-0.2 -2,-0.2 0.912 115.4 45.4 -65.1 -45.2 61.3 5.3 13.3 76 77 A F H ><5S+ 0 0 2 -4,-2.7 3,-1.9 3,-0.2 -2,-0.2 0.875 108.5 56.3 -69.2 -32.1 63.1 2.0 14.1 77 78 A E H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.9 55.8 -66.5 -25.9 63.0 1.0 10.4 78 79 A A T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -5,-0.2 -28,-0.2 0.225 129.8-101.9 -86.3 9.6 64.8 4.3 9.8 79 80 A N T < 5 + 0 0 93 -3,-1.9 -3,-0.2 1,-0.2 -21,-0.2 0.619 63.1 162.6 83.0 18.3 67.5 3.1 12.3 80 81 A A < - 0 0 7 -5,-2.0 -1,-0.2 1,-0.1 -21,-0.2 -0.310 27.9-159.4 -57.2 143.1 66.5 5.2 15.4 81 82 A D S S+ 0 0 44 -23,-3.0 26,-1.9 1,-0.3 2,-0.3 0.771 76.6 18.6 -87.5 -42.4 67.9 3.9 18.7 82 83 A W E -de 59 107A 27 -24,-1.9 -22,-2.8 24,-0.2 -1,-0.3 -0.927 65.0-165.9-131.2 151.5 65.4 5.6 20.9 83 84 A V E -de 60 108A 0 24,-1.7 26,-2.9 -2,-0.3 2,-0.4 -0.976 16.3-130.1-133.2 151.2 61.9 7.0 20.4 84 85 A T E - e 0 109A 1 -24,-1.6 -20,-2.4 -2,-0.3 2,-0.4 -0.822 13.3-168.0-103.9 142.1 59.7 9.2 22.5 85 86 A V E -de 64 110A 0 24,-2.5 26,-3.0 -2,-0.4 -20,-0.2 -0.987 31.1-114.1-122.6 134.1 56.0 8.6 23.4 86 87 A I E > - e 0 111A 2 -22,-2.0 3,-1.6 -2,-0.4 26,-0.2 -0.352 22.1-118.8 -75.1 149.0 54.1 11.5 25.0 87 88 A C T 3 S+ 0 0 0 24,-2.1 243,-0.1 1,-0.3 -1,-0.1 0.795 108.2 57.4 -63.4 -29.9 52.9 11.2 28.6 88 89 A a T 3 S+ 0 0 2 25,-0.2 242,-1.2 23,-0.2 -1,-0.3 0.598 78.9 118.8 -79.6 -6.1 49.2 11.4 27.8 89 90 A A S < S- 0 0 7 -3,-1.6 -23,-0.1 -25,-0.2 5,-0.1 -0.250 79.1 -94.7 -55.8 141.3 49.2 8.5 25.4 90 91 A D >> - 0 0 43 -25,-0.5 3,-1.8 1,-0.1 4,-1.2 -0.238 37.8-113.8 -46.8 139.6 47.0 5.5 26.3 91 92 A I H 3> S+ 0 0 29 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.796 117.6 61.9 -54.7 -27.7 49.1 2.9 28.2 92 93 A N H 3> S+ 0 0 49 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.772 97.9 58.1 -72.5 -21.5 48.6 0.5 25.2 93 94 A T H <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.2 5,-0.2 0.961 108.0 44.5 -65.8 -53.2 50.4 3.1 23.0 94 95 A A H X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.902 114.5 50.6 -54.4 -45.5 53.5 2.9 25.3 95 96 A K H X S+ 0 0 109 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 109.8 49.0 -63.1 -40.9 53.3 -0.9 25.4 96 97 A G H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 112.0 48.7 -65.8 -42.5 53.0 -1.2 21.6 97 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.879 111.0 50.8 -63.8 -40.6 56.0 1.1 21.0 98 99 A L H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.905 106.2 54.9 -65.5 -40.5 58.1 -0.8 23.6 99 100 A D H X S+ 0 0 108 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.946 112.0 43.6 -57.4 -44.6 57.2 -4.2 21.9 100 101 A V H >X S+ 0 0 2 -4,-1.9 4,-1.0 2,-0.2 3,-0.6 0.950 109.0 58.1 -66.3 -44.7 58.5 -2.9 18.6 101 102 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.3 3,-1.1 0.914 102.4 54.6 -52.5 -45.1 61.6 -1.3 20.2 102 103 A K H ><5S+ 0 0 133 -4,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.894 101.5 58.7 -58.4 -35.2 62.6 -4.7 21.6 103 104 A E H <<5S+ 0 0 113 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.797 115.3 35.6 -60.5 -30.0 62.5 -6.2 18.1 104 105 A F T <<5S- 0 0 77 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.203 113.8-113.8-107.6 10.5 65.1 -3.6 17.0 105 106 A N T < 5S+ 0 0 158 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.813 78.3 124.0 52.5 35.8 67.1 -3.6 20.3 106 107 A G < - 0 0 19 -5,-2.8 2,-0.3 -6,-0.2 -24,-0.2 -0.236 51.2-127.5-101.7-161.1 66.0 -0.0 20.9 107 108 A D E -e 82 0A 43 -26,-1.9 -24,-1.7 -2,-0.1 2,-0.4 -0.959 3.9-133.0-152.0 162.4 64.2 1.8 23.6 108 109 A V E -e 83 0A 0 -2,-0.3 23,-0.5 -26,-0.2 22,-0.4 -0.937 13.5-159.6-120.2 136.8 61.3 4.0 24.4 109 110 A Q E -ef 84 131A 1 -26,-2.9 -24,-2.5 -2,-0.4 2,-0.5 -0.977 16.8-132.9-111.8 140.6 61.2 7.2 26.5 110 111 A I E -ef 85 132A 0 21,-2.2 23,-2.8 -2,-0.4 2,-0.7 -0.760 20.7-142.7 -88.4 125.7 58.1 8.7 28.0 111 112 A E E -ef 86 133A 3 -26,-3.0 -24,-2.1 -2,-0.5 2,-1.5 -0.763 6.1-156.2 -95.5 112.5 58.1 12.4 27.3 112 113 A L E + f 0 134A 5 21,-2.5 23,-1.0 -2,-0.7 2,-0.5 -0.537 41.2 138.4 -93.1 68.6 56.7 14.3 30.4 113 114 A T - 0 0 1 -2,-1.5 -25,-0.2 2,-0.1 -26,-0.2 -0.979 65.0 -7.8-112.4 123.2 55.6 17.5 28.6 114 115 A G S S- 0 0 29 -2,-0.5 2,-0.3 21,-0.3 190,-0.2 -0.548 113.7 -0.3 89.6-157.3 52.2 18.7 29.8 115 116 A Y + 0 0 105 188,-1.9 2,-0.3 -2,-0.2 -2,-0.1 -0.523 66.4 141.3 -82.2 130.9 49.8 17.0 32.2 116 117 A W - 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0 0 91 0, 0.0 -18,-0.4 0, 0.0 2,-0.1 -0.320 39.9-177.0 -76.6 65.1 25.0 17.4 16.6 399 185 B I - 0 0 5 -2,-2.5 -18,-0.2 -5,-0.3 3,-0.1 -0.351 16.9-157.7 -62.6 134.8 28.3 15.8 15.5 400 186 B H + 0 0 39 -20,-2.8 -181,-2.5 1,-0.3 2,-0.3 0.918 69.3 0.4 -79.8 -46.1 30.3 18.1 13.4 401 187 B V E -ip 219 381B 0 -21,-1.0 -19,-2.3 -183,-0.3 2,-0.4 -0.996 54.4-152.3-145.0 140.2 32.6 15.6 11.5 402 188 B F E -ip 220 382B 0 -183,-2.7 -181,-2.8 -2,-0.3 2,-0.5 -0.964 20.2-150.4-110.3 131.3 33.0 11.8 11.4 403 189 B I E -i 221 0B 7 -21,-2.3 -19,-0.4 -2,-0.4 2,-0.4 -0.889 13.7-176.3-101.7 131.5 36.5 10.7 10.5 404 190 B A E +i 222 0B 1 -183,-2.7 -181,-1.6 -2,-0.5 -17,-0.1 -0.986 15.7 153.7-124.1 131.0 37.1 7.4 8.7 405 191 B G S >> S+ 0 0 14 -2,-0.4 4,-2.7 -183,-0.2 3,-1.2 0.658 76.3 22.4-109.6 -87.0 40.5 6.1 7.9 406 192 B R H 3> S+ 0 0 73 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.845 117.2 61.6 -54.6 -42.5 40.8 2.3 7.6 407 193 B S H 34 S+ 0 0 38 -21,-0.3 -1,-0.3 1,-0.2 -19,-0.1 0.750 118.5 29.6 -66.3 -21.3 37.0 1.7 6.8 408 194 B I H X4 S+ 0 0 0 -3,-1.2 3,-1.1 -185,-0.1 -2,-0.2 0.852 122.3 45.4 -92.7 -54.5 37.4 3.8 3.7 409 195 B R H 3< S+ 0 0 33 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.819 119.2 41.6 -62.2 -35.5 41.1 3.3 2.6 410 196 B D T 3< S+ 0 0 117 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.378 88.4 114.8 -98.1 -0.3 41.0 -0.4 3.1 411 197 B A S < S- 0 0 31 -3,-1.1 4,-0.1 -5,-0.2 -3,-0.1 -0.275 79.4-115.6 -64.7 155.9 37.6 -1.1 1.6 412 198 B A S S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.912 115.2 21.2 -58.8 -39.2 37.2 -3.2 -1.6 413 199 B S S > S- 0 0 53 1,-0.1 4,-2.6 2,-0.0 -1,-0.3 -0.900 70.3-170.3-129.7 99.4 35.8 0.0 -3.1 414 200 B P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 90.5 55.4 -53.3 -38.0 36.9 3.2 -1.2 415 201 B V H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 109.4 44.8 -61.2 -48.3 34.4 5.2 -3.3 416 202 B E H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.8 52.8 -65.8 -34.8 31.5 2.9 -2.4 417 203 B A H X S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.936 110.7 47.7 -64.2 -45.8 32.5 2.9 1.3 418 204 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.942 112.0 49.2 -61.8 -44.6 32.6 6.7 1.4 419 205 B R H X S+ 0 0 101 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.879 108.8 54.1 -61.2 -40.5 29.2 6.9 -0.4 420 206 B Q H X S+ 0 0 84 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.919 108.3 48.4 -57.9 -46.2 27.8 4.4 2.1 421 207 B F H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.952 112.9 49.2 -58.2 -48.9 28.9 6.6 5.0 422 208 B K H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 111.5 48.0 -61.2 -41.9 27.4 9.6 3.3 423 209 B R H X S+ 0 0 133 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.911 112.5 49.0 -64.2 -42.4 24.1 7.8 2.7 424 210 B S H X S+ 0 0 32 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.916 111.6 48.9 -61.3 -47.0 23.9 6.6 6.3 425 211 B I H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.921 108.7 52.9 -58.9 -45.6 24.6 10.0 7.7 426 212 B A H X S+ 0 0 48 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.848 114.2 44.4 -61.9 -33.4 22.0 11.6 5.5 427 213 B E H < S+ 0 0 162 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.935 115.8 44.6 -73.2 -47.1 19.4 9.1 6.8 428 214 B L H < S+ 0 0 26 -4,-3.0 -32,-0.3 1,-0.2 -2,-0.2 0.753 128.0 25.9 -71.7 -29.9 20.4 9.3 10.5 429 215 B W H < 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.324 360.0 360.0-113.7 2.7 20.6 13.2 10.7 430 216 B G < 0 0 91 -4,-0.6 -3,-0.1 -5,-0.3 -4,-0.0 -0.158 360.0 360.0 -86.0 360.0 18.3 14.2 7.9