==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIAMIN BIOSYNTHESIS 09-MAR-99 2TPS . COMPND 2 MOLECULE: PROTEIN (THIAMIN PHOSPHATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.-J.CHIU,J.J.REDDICK,T.P.BEGLEY,S.E.EALICK . 452 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 15.5 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 . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 5 3 0 2 2 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 6 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 . 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 10 A H 0 0 105 0, 0.0 3,-0.1 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 88.3 33.6 30.7 16.0 2 11 A G - 0 0 17 1,-0.2 2,-0.4 318,-0.0 317,-0.2 -0.075 360.0 -46.2 -94.0-165.9 36.8 32.3 14.6 3 12 A I - 0 0 33 315,-2.0 2,-0.3 314,-0.1 -1,-0.2 -0.547 65.6-131.3 -68.9 118.8 37.5 34.9 11.9 4 13 A R + 0 0 75 -2,-0.4 111,-0.4 1,-0.1 112,-0.1 -0.591 29.2 178.6 -79.8 140.1 35.4 34.0 8.9 5 14 A M S S+ 0 0 78 -2,-0.3 2,-0.3 110,-0.1 -1,-0.1 0.266 74.2 39.3-115.6 3.5 36.9 33.8 5.4 6 15 A T S S- 0 0 87 109,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.981 97.7 -88.4-144.0 154.2 33.6 32.8 3.7 7 16 A R - 0 0 104 -2,-0.3 109,-0.1 1,-0.1 -2,-0.1 -0.277 55.8 -96.9 -60.3 148.7 29.9 33.7 4.2 8 17 A I - 0 0 11 107,-0.3 -1,-0.1 108,-0.1 2,-0.1 -0.357 41.7-111.5 -63.0 141.3 28.1 31.6 6.8 9 18 A S > - 0 0 69 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.394 16.6-123.0 -75.2 152.5 26.2 28.7 5.4 10 19 A R H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 110.7 56.8 -60.8 -37.8 22.4 28.8 5.6 11 20 A E H > S+ 0 0 147 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 112.0 40.1 -57.9 -53.6 22.4 25.5 7.5 12 21 A M H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 113.3 55.6 -63.3 -40.5 24.6 26.8 10.3 13 22 A M H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.932 106.9 50.0 -56.9 -46.2 22.9 30.2 10.3 14 23 A K H < S+ 0 0 53 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.863 109.3 51.7 -69.0 -28.6 19.5 28.5 10.9 15 24 A E H >< S+ 0 0 113 -4,-1.4 3,-1.3 -5,-0.2 4,-0.2 0.936 107.7 52.3 -70.7 -39.4 20.9 26.4 13.8 16 25 A L H 3< S+ 0 0 18 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.797 101.2 61.5 -66.6 -29.8 22.3 29.5 15.5 17 26 A L T >< S+ 0 0 0 -4,-1.5 3,-0.5 1,-0.2 179,-0.3 0.621 74.5 99.7 -74.0 -10.6 19.0 31.3 15.4 18 27 A S T < S+ 0 0 16 -3,-1.3 178,-1.9 -4,-0.4 2,-0.4 0.828 100.9 8.2 -44.3 -63.0 17.2 28.7 17.5 19 28 A V E 3 S-a 196 0A 0 -3,-0.4 26,-2.1 -4,-0.2 27,-1.2 -0.865 79.0-177.4-125.8 93.6 17.3 30.6 20.9 20 29 A Y E < -ab 197 46A 2 176,-2.7 178,-1.6 -3,-0.5 2,-0.3 -0.823 7.4-163.1-104.8 98.6 18.6 34.1 20.1 21 30 A F E -ab 198 47A 2 25,-1.9 27,-2.1 -2,-0.8 2,-0.4 -0.634 4.9-170.7 -88.5 134.5 18.9 36.2 23.3 22 31 A I E + b 0 48A 5 176,-2.4 2,-0.3 -2,-0.3 181,-0.2 -0.970 16.7 159.0-121.2 133.9 19.2 40.0 23.0 23 32 A M E - b 0 49A 0 25,-2.3 27,-1.7 -2,-0.4 2,-0.3 -0.966 22.6-179.1-158.3 147.7 20.1 42.2 26.0 24 33 A G > - 0 0 0 -2,-0.3 3,-1.8 25,-0.2 4,-0.1 -0.825 48.9 -95.5-128.1 177.1 21.4 45.5 27.3 25 34 A S G > S+ 0 0 23 1,-0.3 3,-0.7 -2,-0.3 26,-0.1 0.747 120.3 57.3 -66.6 -25.7 22.0 46.8 30.9 26 35 A N G 3 S+ 0 0 54 1,-0.2 -1,-0.3 26,-0.1 29,-0.1 0.318 92.1 72.4 -87.4 5.5 18.7 48.6 31.0 27 36 A N G < S+ 0 0 12 -3,-1.8 2,-0.3 1,-0.0 -1,-0.2 0.378 98.8 41.0-102.1 3.4 16.7 45.4 30.3 28 37 A T < - 0 0 24 -3,-0.7 176,-0.1 -4,-0.1 175,-0.1 -0.990 59.5-145.5-147.1 151.0 17.2 43.7 33.7 29 38 A K S S+ 0 0 210 -2,-0.3 175,-0.1 174,-0.2 2,-0.1 0.447 85.3 76.2 -88.3 -10.2 17.2 44.6 37.4 30 39 A A S S- 0 0 53 173,-0.3 -2,-0.1 1,-0.1 3,-0.0 -0.210 108.2 -64.6 -86.5-175.3 20.0 42.0 38.0 31 40 A D > - 0 0 90 1,-0.1 4,-1.9 -2,-0.1 -1,-0.1 -0.624 50.2-140.3 -72.5 120.7 23.7 42.2 37.2 32 41 A P H > S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.899 97.0 45.4 -58.3 -49.7 23.8 42.4 33.3 33 42 A V H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 111.3 55.0 -63.5 -32.6 26.8 40.2 32.7 34 43 A T H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 106.7 50.7 -60.9 -42.0 25.5 37.6 35.2 35 44 A V H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 109.9 49.5 -62.5 -44.0 22.2 37.4 33.3 36 45 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.928 110.6 51.0 -61.3 -45.9 24.0 36.8 30.0 37 46 A Q H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 111.1 47.7 -57.3 -46.3 26.1 34.1 31.6 38 47 A K H X S+ 0 0 92 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.3 51.1 -66.7 -42.7 23.0 32.4 33.0 39 48 A A H X>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-1.5 0.899 111.9 48.0 -58.6 -44.4 21.2 32.5 29.6 40 49 A L H <5S+ 0 0 15 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.913 110.6 51.4 -64.4 -43.0 24.2 31.0 27.8 41 50 A K H <5S+ 0 0 139 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 109.2 50.9 -61.4 -38.5 24.5 28.2 30.5 42 51 A G H <5S- 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.795 132.0 -82.9 -70.7 -31.1 20.8 27.4 30.0 43 52 A G T <5 + 0 0 7 -4,-1.5 -3,-0.2 -5,-0.2 -24,-0.1 0.578 63.2 159.8 142.8 10.2 21.1 27.1 26.3 44 53 A A < - 0 0 2 -5,-2.3 -24,-0.2 1,-0.1 -1,-0.1 -0.371 24.3-158.7 -57.7 139.9 20.9 30.3 24.2 45 54 A T S S+ 0 0 14 -26,-2.1 2,-0.3 1,-0.2 -25,-0.2 0.578 71.3 18.0-100.2 -11.5 22.5 29.6 20.8 46 55 A L E -b 20 0A 0 -27,-1.2 -25,-1.9 32,-0.2 2,-0.4 -0.974 66.5-153.3-158.7 145.9 23.3 33.3 19.8 47 56 A Y E -bc 21 80A 0 32,-1.5 34,-2.7 -2,-0.3 2,-0.5 -0.998 0.6-159.4-131.9 136.2 23.6 36.5 21.7 48 57 A Q E -bc 22 81A 6 -27,-2.1 -25,-2.3 -2,-0.4 2,-0.7 -0.972 13.4-143.2-116.9 123.8 23.1 40.2 20.6 49 58 A F E +bc 23 82A 1 32,-3.0 34,-2.7 -2,-0.5 2,-0.4 -0.750 27.8 172.2 -82.2 111.2 24.7 43.1 22.6 50 59 A R + 0 0 29 -27,-1.7 2,-0.6 -2,-0.7 34,-0.1 -0.903 4.8 164.3-130.8 97.6 22.0 45.8 22.4 51 60 A E + 0 0 12 -2,-0.4 2,-0.3 32,-0.2 -2,-0.0 -0.897 26.7 120.0-125.2 93.8 22.9 48.9 24.6 52 61 A K - 0 0 61 -2,-0.6 3,-0.1 6,-0.0 -26,-0.1 -0.990 51.3 -2.1-158.2 153.7 20.8 51.9 23.6 53 62 A G S > S+ 0 0 63 -2,-0.3 3,-2.5 1,-0.2 -27,-0.0 -0.310 93.5 58.4 67.8-140.7 18.3 54.5 24.8 54 63 A G T 3 S- 0 0 78 1,-0.3 -1,-0.2 -2,-0.1 2,-0.0 0.373 128.8 -33.6 14.1-130.8 16.8 54.5 28.3 55 64 A D T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 -29,-0.1 -2,-0.1 -0.293 94.5 157.6-106.2 48.7 19.5 54.7 31.0 56 65 A A < - 0 0 18 -3,-2.5 -3,-0.1 1,-0.1 2,-0.1 -0.282 46.2 -99.8 -74.4 160.6 21.9 52.7 28.8 57 66 A L - 0 0 67 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.384 41.4-171.5 -70.3 153.3 25.7 52.9 29.3 58 67 A T >> + 0 0 109 -2,-0.1 4,-1.4 -6,-0.0 3,-0.8 -0.815 41.5 8.9-135.8 171.5 27.8 55.1 27.0 59 68 A G H 3> S- 0 0 52 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 -0.150 122.5 -13.8 63.8-151.5 31.4 55.7 26.4 60 69 A E H 3> S+ 0 0 157 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.787 134.2 60.3 -57.2 -40.7 34.1 53.6 27.8 61 70 A A H <> S+ 0 0 55 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.903 105.5 48.2 -57.9 -42.2 31.7 52.0 30.3 62 71 A R H X S+ 0 0 42 -4,-1.4 4,-2.6 -3,-0.4 -2,-0.2 0.926 111.9 49.6 -65.3 -40.4 29.6 50.7 27.4 63 72 A I H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 109.9 49.9 -63.7 -44.1 32.7 49.3 25.6 64 73 A K H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 110.3 51.0 -66.7 -36.7 34.0 47.6 28.7 65 74 A F H X S+ 0 0 14 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.952 108.6 51.7 -61.1 -49.4 30.5 46.0 29.2 66 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 107.2 53.2 -52.8 -43.5 30.6 44.7 25.6 67 76 A E H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.899 110.1 47.9 -61.7 -40.1 34.0 43.1 26.2 68 77 A K H X S+ 0 0 106 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 112.0 48.5 -67.8 -38.3 32.7 41.2 29.2 69 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.912 111.3 51.0 -66.6 -41.0 29.6 40.0 27.4 70 79 A Q H X S+ 0 0 24 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.883 108.6 51.2 -62.1 -38.4 31.8 38.9 24.5 71 80 A A H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.895 107.2 53.8 -67.9 -37.5 34.1 37.0 26.9 72 81 A A H X S+ 0 0 9 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.903 109.3 48.9 -59.1 -41.5 31.0 35.3 28.3 73 82 A C H X>S+ 0 0 1 -4,-2.1 5,-2.1 1,-0.2 4,-0.8 0.920 109.3 51.8 -69.0 -42.2 30.0 34.2 24.8 74 83 A R H ><5S+ 0 0 90 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.925 107.8 52.6 -58.9 -42.8 33.5 32.9 24.1 75 84 A E H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 114.1 42.7 -63.6 -32.0 33.4 30.8 27.3 76 85 A A H 3<5S- 0 0 49 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.508 111.2-118.5 -87.0 -10.9 30.1 29.2 26.2 77 86 A G T <<5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.733 70.3 131.2 77.3 26.7 31.1 28.7 22.6 78 87 A V < - 0 0 18 -5,-2.1 -1,-0.2 -6,-0.2 -32,-0.2 -0.840 60.1-108.3-112.9 141.1 28.3 31.0 21.2 79 88 A P - 0 0 1 0, 0.0 -32,-1.5 0, 0.0 2,-0.5 -0.375 25.7-135.6 -72.0 152.5 28.7 33.8 18.6 80 89 A F E -c 47 0A 1 -34,-0.1 15,-1.9 -2,-0.1 16,-1.2 -0.931 19.9-170.1-110.7 118.1 28.5 37.5 19.7 81 90 A I E -cd 48 96A 0 -34,-2.7 -32,-3.0 -2,-0.5 2,-0.5 -0.887 11.4-144.1-109.6 141.7 26.5 39.9 17.6 82 91 A V E -cd 49 97A 0 14,-2.5 16,-2.4 -2,-0.4 2,-0.4 -0.869 13.9-132.9-104.4 131.8 26.5 43.7 18.0 83 92 A N E S- d 0 98A 14 -34,-2.7 2,-2.1 -2,-0.5 -32,-0.2 -0.709 72.1 -28.4 -79.1 137.9 23.3 45.8 17.4 84 93 A D S S+ 0 0 44 14,-3.0 2,-1.1 -2,-0.4 20,-0.3 -0.194 105.6 100.9 69.7 -49.1 23.6 48.9 15.2 85 94 A D > + 0 0 48 -2,-2.1 4,-2.1 1,-0.2 5,-0.1 -0.653 39.7 176.6 -92.3 94.0 27.2 49.9 15.8 86 95 A V H > S+ 0 0 26 -2,-1.1 4,-2.3 1,-0.2 5,-0.2 0.899 81.6 53.8 -64.2 -41.4 29.4 48.9 12.9 87 96 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 108.7 49.0 -61.5 -41.4 32.6 50.4 14.4 88 97 A L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 109.6 52.5 -62.7 -44.7 32.1 48.6 17.7 89 98 A A H X>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 4,-0.6 0.894 113.3 43.4 -55.5 -44.8 31.6 45.3 15.9 90 99 A L H ><5S+ 0 0 19 -4,-2.3 141,-2.2 3,-0.2 3,-0.7 0.902 113.7 50.9 -68.7 -44.4 34.8 45.8 13.9 91 100 A N H 3<5S+ 0 0 59 -4,-2.6 -2,-0.2 139,-0.3 -1,-0.2 0.859 116.6 39.7 -65.1 -35.5 36.8 47.0 17.0 92 101 A L H 3<5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.504 107.1-122.7 -85.7 -10.5 35.8 44.0 19.1 93 102 A K T <<5 - 0 0 18 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.937 44.8-173.2 59.0 44.2 36.1 41.4 16.3 94 103 A A < - 0 0 2 -5,-2.8 -13,-0.2 -6,-0.2 -1,-0.1 -0.273 34.6-119.2 -58.7 159.8 32.5 40.5 16.9 95 104 A D S S- 0 0 24 -15,-1.9 22,-2.5 1,-0.1 2,-0.3 0.734 82.4 -28.3 -72.6 -21.0 31.0 37.6 15.0 96 105 A G E -de 81 117A 0 -16,-1.2 -14,-2.5 20,-0.2 2,-0.3 -0.983 53.6-112.6-177.9-179.0 28.4 39.8 13.4 97 106 A I E -de 82 118A 0 20,-2.4 22,-2.6 -2,-0.3 2,-0.4 -0.980 13.7-152.2-137.1 140.3 26.1 42.9 13.3 98 107 A H E +de 83 119A 13 -16,-2.4 -14,-3.0 -2,-0.3 2,-0.3 -0.980 21.7 175.4-115.4 133.9 22.4 43.4 13.4 99 108 A I E - e 0 120A 2 20,-2.6 22,-2.2 -2,-0.4 2,-0.2 -0.929 14.0-148.8-132.5 161.6 20.8 46.4 11.7 100 109 A G > - 0 0 15 -2,-0.3 3,-1.6 20,-0.2 22,-0.1 -0.605 41.4 -83.6-119.6-175.5 17.3 47.8 11.0 101 110 A Q T 3 S+ 0 0 88 1,-0.3 5,-0.0 -2,-0.2 21,-0.0 0.663 126.3 45.4 -64.0 -21.8 15.6 49.9 8.4 102 111 A E T 3 S+ 0 0 159 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.425 101.6 82.9-101.8 3.1 16.7 53.2 9.9 103 112 A D S < S- 0 0 44 -3,-1.6 3,-0.1 1,-0.3 -4,-0.1 -0.018 100.2 -45.5 -89.7-169.6 20.3 52.2 10.4 104 113 A A S S- 0 0 49 -20,-0.3 -1,-0.3 1,-0.1 -20,-0.1 -0.344 77.4 -89.2 -58.3 142.5 23.2 52.2 7.9 105 114 A N > - 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0 0 46 -2,-0.3 4,-0.9 1,-0.1 3,-0.8 -0.825 50.4 -98.4-123.4 172.0 69.2 43.0 26.5 410 191 B I G >4 S+ 0 0 47 -2,-0.3 3,-0.8 1,-0.3 4,-0.5 0.938 123.0 53.6 -58.6 -37.4 68.8 46.6 27.7 411 192 B D G 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.723 116.7 32.5 -73.6 -23.2 72.5 47.0 27.4 412 193 B N G <4 S+ 0 0 40 -3,-0.8 4,-0.4 1,-0.1 -1,-0.2 0.289 93.7 91.1-117.6 10.9 72.9 45.8 23.8 413 194 B A S XX S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.8 4,-1.3 0.875 71.0 68.7 -77.6 -41.8 69.6 47.0 22.3 414 195 B A H 3> S+ 0 0 7 -4,-0.5 4,-2.4 1,-0.3 3,-0.3 0.886 94.3 54.5 -51.2 -46.3 70.6 50.5 21.1 415 196 B P H 3> S+ 0 0 56 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.764 101.8 61.0 -62.3 -24.5 73.0 49.4 18.2 416 197 B V H <4>S+ 0 0 0 -3,-1.3 5,-1.8 -4,-0.4 4,-0.4 0.929 109.5 41.2 -62.5 -46.2 70.2 47.2 16.8 417 198 B I H ><5S+ 0 0 14 -4,-1.3 3,-1.3 -3,-0.3 -1,-0.2 0.891 112.0 55.5 -61.9 -44.7 68.1 50.4 16.3 418 199 B Q H 3<5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.861 101.6 58.8 -62.0 -30.9 71.2 52.4 15.1 419 200 B A T 3<5S- 0 0 14 -4,-1.7 -1,-0.3 -5,-0.2 -25,-0.2 0.655 133.5 -85.4 -68.0 -20.4 71.7 49.7 12.4 420 201 B G T < 5S+ 0 0 23 -3,-1.3 -3,-0.2 -4,-0.4 -18,-0.2 0.442 79.4 141.5 128.4 2.7 68.2 50.4 11.0 421 202 B A < - 0 0 5 -5,-1.8 -1,-0.3 -6,-0.1 -18,-0.2 -0.399 46.0-145.5 -75.4 151.3 65.8 48.2 13.0 422 203 B D S S- 0 0 24 -20,-2.7 2,-0.3 1,-0.2 -19,-0.2 0.512 76.6 -19.6 -93.5 0.8 62.3 49.5 13.9 423 204 B G E - p 0 403B 0 -21,-0.7 -19,-2.1 -7,-0.1 2,-0.3 -0.985 61.9-108.0 176.0 174.7 62.4 47.6 17.3 424 205 B V E -ip 247 404B 0 -178,-2.0 -176,-2.7 -179,-0.4 2,-0.4 -0.951 20.9-153.7-123.1 147.7 63.9 44.8 19.4 425 206 B S E +ip 248 405B 2 -21,-2.2 -19,-0.6 -2,-0.3 -17,-0.4 -0.929 19.6 172.7-118.8 144.7 62.2 41.6 20.5 426 207 B M E +i 249 0B 5 -178,-1.7 -176,-2.4 -2,-0.4 -17,-0.1 -0.994 26.8 178.4-151.6 152.4 63.1 39.6 23.6 427 208 B I S >> S+ 0 0 22 -2,-0.3 4,-2.7 -178,-0.2 3,-1.5 0.602 84.8 32.1-107.6 -80.6 62.3 36.6 25.8 428 209 B S H 3> S+ 0 0 46 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.780 105.4 67.7 -57.5 -45.1 64.7 36.1 28.7 429 210 B A H 34 S+ 0 0 26 -21,-0.4 -1,-0.3 1,-0.2 -19,-0.1 0.785 120.7 21.4 -54.0 -22.7 65.6 39.7 29.4 430 211 B I H X4 S+ 0 0 0 -3,-1.5 3,-1.4 2,-0.1 -2,-0.2 0.763 123.2 52.7-106.8 -46.5 62.1 40.4 30.6 431 212 B S H 3< S+ 0 0 2 -4,-2.7 -173,-0.3 1,-0.3 -174,-0.3 0.788 117.9 36.9 -69.3 -25.7 60.7 36.9 31.5 432 213 B Q T 3< S+ 0 0 145 -4,-2.2 -1,-0.3 -5,-0.2 -3,-0.1 0.271 91.6 117.2-106.1 10.9 63.6 36.0 33.8 433 214 B A S < S- 0 0 32 -3,-1.4 4,-0.1 -5,-0.2 -3,-0.1 -0.435 70.2-131.3 -78.2 154.0 64.0 39.5 35.3 434 215 B E S S+ 0 0 201 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.862 107.3 29.9 -77.9 -21.6 63.4 40.0 38.9 435 216 B D > + 0 0 84 1,-0.1 4,-2.3 2,-0.0 -1,-0.3 -0.759 68.9 178.1-131.9 88.0 61.3 42.9 38.0 436 217 B P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 81.6 55.0 -60.3 -35.6 59.6 42.4 34.5 437 218 B E H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.926 110.9 44.5 -59.0 -50.2 57.7 45.7 34.7 438 219 B S H > S+ 0 0 34 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 112.1 53.7 -62.3 -40.3 60.9 47.7 35.3 439 220 B A H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.937 109.5 46.7 -60.6 -45.0 62.7 45.8 32.6 440 221 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.890 112.6 50.9 -61.3 -39.5 60.0 46.5 30.0 441 222 B R H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 108.8 50.3 -72.8 -33.4 60.0 50.2 31.0 442 223 B K H X S+ 0 0 115 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.916 111.0 49.4 -69.4 -42.0 63.8 50.4 30.7 443 224 B F H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.954 110.6 50.8 -55.5 -47.7 63.6 48.9 27.2 444 225 B R H X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.917 111.5 47.0 -62.4 -42.2 60.8 51.3 26.2 445 226 B E H X S+ 0 0 118 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 113.8 47.3 -63.7 -46.1 62.8 54.3 27.3 446 227 B E H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.932 113.7 46.9 -61.2 -46.4 66.0 53.2 25.6 447 228 B I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.917 110.8 51.6 -68.6 -36.7 64.3 52.4 22.3 448 229 B Q H X S+ 0 0 87 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.947 107.3 54.2 -69.4 -31.4 62.4 55.6 22.2 449 230 B T H X S+ 0 0 92 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.955 114.1 40.1 -61.8 -45.2 65.6 57.6 22.8 450 231 B Y H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.7 54.5 -80.0 -23.4 67.3 56.0 19.8 451 232 B K H < S+ 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 101.3 60.1 -79.2 -24.3 64.2 56.0 17.5 452 233 B T H < 0 0 126 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.880 360.0 360.0 -65.1 -33.3 63.9 59.7 18.1 453 234 B G < 0 0 103 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.583 360.0 360.0 -95.9 360.0 67.3 60.2 16.6