==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-SEP-06 2DZW . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR K.OGASAHARA,Y.YAMAGATA,K.YUTANI,RIKEN STRUCTURAL . 489 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.3 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 . 1 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 . 1 0.2 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 . 27 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 0 0 2 0 2 6 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 10 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 1 1 0 0 0 1 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 1 A M 0 0 24 0, 0.0 2,-0.3 0, 0.0 435,-0.1 0.000 360.0 360.0 360.0 -13.2 43.0 26.7 68.2 2 2 A F - 0 0 0 433,-0.3 32,-0.1 79,-0.1 3,-0.1 -0.864 360.0 -91.6-131.9 163.3 45.8 24.9 70.0 3 3 A K > - 0 0 73 -2,-0.3 3,-1.4 30,-0.2 432,-0.2 -0.350 53.9 -95.7 -68.4 150.1 49.5 24.6 69.9 4 4 A D T 3 S+ 0 0 40 430,-0.5 209,-0.2 1,-0.3 208,-0.1 -0.436 113.6 32.1 -66.4 143.1 51.0 21.8 67.8 5 5 A G T 3 S+ 0 0 43 207,-2.5 -1,-0.3 206,-0.3 208,-0.2 0.558 88.4 156.5 85.6 8.6 51.6 18.7 69.8 6 6 A S E < -a 213 0A 11 -3,-1.4 208,-2.8 206,-1.1 2,-0.5 -0.407 40.0-142.7 -73.0 142.7 48.7 19.5 72.1 7 7 A L E -ab 214 32A 4 24,-0.5 26,-2.0 206,-0.2 27,-0.7 -0.915 18.9-158.6-101.2 125.6 46.9 16.8 74.1 8 8 A I E -a 215 0A 1 206,-4.1 208,-1.8 -2,-0.5 27,-0.2 -0.855 4.2-149.5-115.3 98.4 43.2 17.7 74.2 9 9 A P E -a 216 0A 1 0, 0.0 27,-2.8 0, 0.0 2,-0.5 -0.332 6.1-155.0 -64.6 140.3 41.2 16.1 77.0 10 10 A Y E +f 36 0B 3 206,-2.1 2,-0.3 25,-0.2 27,-0.2 -0.982 17.5 174.1-117.8 129.9 37.5 15.3 76.4 11 11 A L E -f 37 0B 0 25,-2.3 27,-3.2 -2,-0.5 2,-0.5 -0.955 31.2-121.9-133.5 151.6 35.1 15.1 79.3 12 12 A T E > -f 38 0B 2 -2,-0.3 3,-1.4 25,-0.2 2,-0.2 -0.831 33.2-119.6 -94.4 126.9 31.4 14.7 79.6 13 13 A A T 3 S+ 0 0 0 25,-3.2 5,-0.1 -2,-0.5 55,-0.1 -0.487 97.2 18.3 -66.1 128.2 29.7 17.6 81.4 14 14 A G T 3 S+ 0 0 2 3,-0.3 4,-0.3 -2,-0.2 -1,-0.2 0.619 81.3 162.3 87.9 15.9 27.9 16.3 84.5 15 15 A D S < S- 0 0 2 -3,-1.4 -1,-0.2 2,-0.3 -3,-0.2 -0.883 90.7 -19.1-113.3 101.6 29.8 12.9 84.8 16 16 A P S S- 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.981 143.1 -24.1 -82.1 -22.2 29.1 12.2 87.7 17 17 A D > - 0 0 43 1,-0.0 4,-2.1 211,-0.0 -3,-0.3 -0.980 59.9-106.3-149.2 158.6 28.2 15.8 88.6 18 18 A K H > S+ 0 0 65 -2,-0.3 4,-1.7 -4,-0.3 5,-0.1 0.777 117.8 54.6 -59.5 -27.1 29.0 19.3 87.3 19 19 A Q H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 107.6 48.3 -73.0 -44.0 31.3 20.0 90.3 20 20 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.888 108.4 55.4 -61.3 -39.3 33.4 16.9 89.7 21 21 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.940 107.8 48.8 -58.6 -46.3 33.7 17.8 86.0 22 22 A L H X S+ 0 0 8 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.867 110.9 51.4 -60.9 -36.7 35.0 21.2 87.0 23 23 A N H X S+ 0 0 58 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.887 110.0 48.2 -67.7 -40.6 37.5 19.5 89.4 24 24 A F H X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.938 110.1 52.7 -66.0 -45.2 38.7 17.2 86.6 25 25 A L H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 3,-0.3 0.918 111.1 45.6 -55.6 -48.0 39.2 20.1 84.2 26 26 A L H X S+ 0 0 60 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.880 110.6 53.2 -65.3 -38.0 41.3 22.0 86.7 27 27 A A H < S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.773 118.5 37.1 -68.5 -24.5 43.4 19.0 87.5 28 28 A L H >X S+ 0 0 2 -4,-1.5 3,-2.3 -3,-0.3 4,-1.0 0.569 88.3 93.8-103.4 -12.0 44.1 18.5 83.8 29 29 A D H >< S+ 0 0 35 -4,-1.5 3,-0.9 1,-0.3 -2,-0.1 0.858 78.7 62.5 -49.1 -42.0 44.4 22.1 82.6 30 30 A E T 3< S+ 0 0 142 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.647 110.0 39.5 -62.0 -15.7 48.2 22.0 83.1 31 31 A Y T <4 S+ 0 0 24 -3,-2.3 -24,-0.5 -25,-0.0 -1,-0.2 0.530 99.1 97.9-108.0 -11.1 48.6 19.3 80.5 32 32 A A B << -b 7 0A 16 -4,-1.0 -24,-0.2 -3,-0.9 3,-0.1 -0.538 44.8-174.3 -88.2 144.3 46.0 20.5 78.0 33 33 A G S S- 0 0 12 -26,-2.0 2,-0.3 1,-0.5 -30,-0.2 0.580 86.6 -14.6-101.3 -16.7 46.4 22.5 74.8 34 34 A A S S- 0 0 0 -27,-0.7 -1,-0.5 47,-0.1 2,-0.4 -0.936 70.3-130.7-172.6 165.9 42.7 22.7 74.5 35 35 A I E - g 0 83B 2 47,-2.2 49,-3.3 -2,-0.3 2,-0.5 -0.994 1.9-149.5-138.6 141.4 39.6 21.0 76.0 36 36 A E E -fg 10 84B 0 -27,-2.8 -25,-2.3 -2,-0.4 2,-0.6 -0.937 11.8-164.5-108.3 123.7 36.4 19.4 74.7 37 37 A L E -fg 11 85B 1 47,-3.0 49,-2.9 -2,-0.5 2,-0.4 -0.935 12.4-148.9-110.5 115.8 33.4 19.6 76.9 38 38 A G E -fg 12 86B 1 -27,-3.2 -25,-3.2 -2,-0.6 49,-0.2 -0.696 4.8-143.0 -90.5 133.5 30.7 17.2 75.9 39 39 A I - 0 0 4 47,-2.9 49,-0.3 -2,-0.4 -25,-0.1 -0.823 30.1-120.9 -92.3 112.8 27.0 17.9 76.4 40 40 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 48,-0.1 -0.185 32.5-170.2 -55.8 143.3 25.2 14.6 77.3 41 41 A F - 0 0 28 11,-0.1 18,-0.1 1,-0.1 17,-0.1 -0.980 32.5-123.2-138.1 148.1 22.4 13.5 75.0 42 42 A S S S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 14,-0.0 0.827 109.2 31.5 -59.5 -33.5 19.8 10.8 75.2 43 43 A D + 0 0 93 12,-0.0 2,-2.4 -3,-0.0 -1,-0.3 -0.569 64.3 170.0-128.6 70.7 20.9 9.2 71.9 44 44 A P > + 0 0 1 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.333 15.3 158.8 -78.2 61.3 24.6 9.7 71.4 45 45 A I T 3 + 0 0 138 -2,-2.4 7,-0.0 1,-0.3 -2,-0.0 0.508 64.0 60.3 -65.1 -6.7 24.7 7.3 68.5 46 46 A A T 3 S+ 0 0 52 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.591 93.1 81.5 -97.5 -10.2 27.9 8.7 67.0 47 47 A D S < S- 0 0 17 -3,-1.7 2,-0.1 1,-0.1 118,-0.0 -0.478 81.2-105.7 -95.5 165.0 30.0 7.9 70.1 48 48 A G > - 0 0 30 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.310 43.4 -92.1 -79.7 169.4 31.7 4.7 71.2 49 49 A K H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.878 122.3 53.1 -48.1 -49.3 30.5 2.5 74.1 50 50 A T H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.938 113.6 40.0 -56.4 -52.7 32.6 4.3 76.7 51 51 A I H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.816 110.5 58.9 -71.0 -29.0 31.4 7.8 76.0 52 52 A Q H X S+ 0 0 49 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.916 105.2 50.7 -64.9 -40.5 27.8 6.7 75.4 53 53 A E H X S+ 0 0 74 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.825 106.0 54.8 -65.4 -33.2 27.7 5.4 79.0 54 54 A S H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.849 106.7 51.9 -69.4 -32.5 29.1 8.6 80.4 55 55 A H H X S+ 0 0 4 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.909 110.9 47.9 -66.7 -41.1 26.2 10.4 78.6 56 56 A Y H X S+ 0 0 98 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.913 112.0 48.9 -65.8 -43.5 23.8 8.0 80.3 57 57 A R H X S+ 0 0 61 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.962 111.6 49.6 -59.7 -51.9 25.4 8.5 83.7 58 58 A A H <>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 -2,-0.2 0.930 114.1 43.9 -52.4 -53.5 25.3 12.3 83.3 59 59 A L H ><5S+ 0 0 60 -4,-2.4 3,-1.8 3,-0.2 -1,-0.2 0.909 111.9 52.4 -61.0 -45.8 21.7 12.4 82.4 60 60 A K H 3<5S+ 0 0 178 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.947 105.7 55.2 -54.9 -50.3 20.6 9.9 85.0 61 61 A N T 3<5S- 0 0 102 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.381 129.7 -97.7 -65.9 4.5 22.3 12.0 87.7 62 62 A G T < 5 - 0 0 32 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.847 53.4-178.7 85.2 36.8 20.2 14.9 86.5 63 63 A F < - 0 0 17 -5,-1.6 2,-0.4 -6,-0.1 -1,-0.2 -0.465 9.5-158.5 -70.0 140.0 22.4 16.9 84.2 64 64 A K > - 0 0 135 -2,-0.1 3,-2.7 1,-0.1 4,-0.4 -0.964 24.7-114.6-122.4 137.6 20.8 20.1 82.8 65 65 A L T > S+ 0 0 38 -2,-0.4 3,-2.1 1,-0.3 4,-0.3 0.810 111.5 46.4 -31.8 -66.6 21.9 21.9 79.6 66 66 A R T 3> S+ 0 0 123 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.477 90.0 82.8 -65.7 -1.7 23.1 25.2 81.0 67 67 A E H <> S+ 0 0 52 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.727 86.1 62.0 -71.2 -19.2 25.0 23.4 83.7 68 68 A A H <> S+ 0 0 0 -3,-2.1 4,-2.2 -4,-0.4 -1,-0.2 0.896 100.7 49.5 -70.3 -40.4 27.6 23.1 81.0 69 69 A F H > S+ 0 0 14 -4,-0.3 4,-3.2 2,-0.2 5,-0.2 0.854 107.7 55.6 -66.4 -33.5 27.8 26.9 80.8 70 70 A W H X S+ 0 0 75 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.972 107.5 48.3 -61.6 -52.4 28.3 26.9 84.6 71 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 115.6 44.5 -54.3 -44.3 31.3 24.5 84.2 72 72 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.958 113.1 49.7 -66.6 -51.3 32.8 26.7 81.5 73 73 A K H X S+ 0 0 101 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.923 114.9 44.1 -54.5 -48.7 32.2 30.0 83.3 74 74 A E H >< S+ 0 0 49 -4,-3.0 3,-1.0 -5,-0.2 4,-0.5 0.898 112.3 52.2 -64.3 -42.1 33.7 28.7 86.6 75 75 A F H >X S+ 0 0 0 -4,-2.1 3,-2.0 -5,-0.3 4,-1.5 0.923 102.2 61.5 -58.8 -44.3 36.6 27.1 84.7 76 76 A R H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.690 88.9 69.6 -56.3 -23.7 37.3 30.4 83.0 77 77 A R T << S+ 0 0 152 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.803 115.7 25.3 -66.0 -27.0 37.9 32.1 86.3 78 78 A H T <4 S+ 0 0 129 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.579 124.3 40.9-112.2 -15.9 41.1 30.1 86.6 79 79 A S < - 0 0 13 -4,-1.5 -1,-0.2 1,-0.1 -53,-0.0 -0.980 39.7-166.7-142.7 152.2 42.1 29.3 83.0 80 80 A S + 0 0 88 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.299 48.5 138.5-110.3 3.5 42.3 30.7 79.5 81 81 A T - 0 0 14 1,-0.1 -47,-0.1 -47,-0.1 -2,-0.1 -0.240 66.2 -96.9 -53.1 130.6 42.8 27.3 77.9 82 82 A P - 0 0 7 0, 0.0 -47,-2.2 0, 0.0 2,-0.5 -0.200 41.2-155.1 -52.4 134.9 40.7 27.0 74.7 83 83 A I E -g 35 0B 2 25,-0.3 27,-2.2 -49,-0.2 28,-2.0 -0.964 10.5-167.2-123.6 126.3 37.3 25.3 75.2 84 84 A V E -gh 36 111B 1 -49,-3.3 -47,-3.0 -2,-0.5 2,-0.6 -0.931 15.4-144.2-109.7 125.9 35.3 23.5 72.5 85 85 A L E -gh 37 112B 0 26,-2.6 28,-2.6 -2,-0.5 2,-0.6 -0.813 14.8-159.2 -90.8 118.6 31.7 22.6 73.4 86 86 A M E +gh 38 113B 14 -49,-2.9 -47,-2.9 -2,-0.6 2,-0.3 -0.885 26.7 147.8-102.3 121.2 30.8 19.2 71.8 87 87 A T E - h 0 114B 1 26,-2.8 28,-2.0 -2,-0.6 29,-0.3 -0.935 47.3-108.3-146.9 168.1 27.1 18.5 71.3 88 88 A Y > - 0 0 3 -49,-0.3 4,-0.8 -2,-0.3 25,-0.0 -0.651 39.4-115.5 -91.9 156.8 24.4 16.9 69.3 89 89 A Y H > S+ 0 0 14 -2,-0.3 4,-2.9 1,-0.2 3,-0.5 0.897 102.3 75.3 -60.9 -45.4 22.2 19.2 67.2 90 90 A N H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.828 96.3 46.6 -34.8 -59.0 19.0 18.5 69.0 91 91 A P H > S+ 0 0 16 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.923 116.7 43.5 -55.8 -48.0 19.8 20.5 72.2 92 92 A I H >X S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.5 3,-0.8 0.972 116.4 47.7 -59.7 -56.2 21.0 23.6 70.2 93 93 A Y H 3< S+ 0 0 143 -4,-2.9 3,-0.5 1,-0.3 4,-0.2 0.890 111.4 49.9 -51.9 -47.4 18.1 23.3 67.8 94 94 A R H 3< S+ 0 0 178 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.727 116.5 42.5 -67.5 -22.4 15.5 23.0 70.5 95 95 A A H << S- 0 0 29 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.546 125.3 -91.8-101.0 -9.3 17.0 26.0 72.4 96 96 A G X - 0 0 23 -4,-1.4 4,-2.9 -3,-0.5 5,-0.2 0.556 28.9-118.7 97.8 111.3 17.5 28.3 69.4 97 97 A V H > S+ 0 0 17 1,-0.2 4,-2.9 -4,-0.2 5,-0.3 0.921 111.3 39.4 -43.8 -67.1 20.8 28.3 67.5 98 98 A R H > S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.875 115.0 54.7 -56.0 -39.7 21.8 31.9 68.0 99 99 A N H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 111.9 44.4 -58.7 -47.0 20.5 31.8 71.6 100 100 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 -8,-0.2 -2,-0.2 0.942 116.7 43.9 -63.1 -51.2 22.7 28.8 72.3 101 101 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.885 113.8 50.7 -62.9 -40.5 25.8 30.2 70.6 102 102 A A H X S+ 0 0 38 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.924 114.4 45.0 -62.5 -43.2 25.4 33.6 72.2 103 103 A E H X S+ 0 0 62 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.891 112.1 51.6 -67.6 -40.3 25.0 32.0 75.6 104 104 A A H X>S+ 0 0 1 -4,-2.9 5,-2.2 2,-0.2 4,-1.1 0.933 109.7 49.6 -62.5 -47.0 28.0 29.7 74.9 105 105 A K H ><5S+ 0 0 93 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.936 107.2 54.5 -57.3 -49.2 30.2 32.6 74.0 106 106 A A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.3 52.4 -55.8 -34.4 29.2 34.6 77.1 107 107 A S H 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.3 -31,-0.2 0.745 129.1 -92.3 -76.1 -23.8 30.3 31.7 79.3 108 108 A G T <<5S+ 0 0 16 -4,-1.1 -25,-0.3 -3,-1.0 -3,-0.2 0.451 70.8 151.0 126.3 4.2 33.7 31.4 77.8 109 109 A V < - 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0 0 0 -60,-0.4 32,-0.1 79,-0.1 3,-0.1 -0.853 360.0 -92.3-130.7 162.8 47.9 26.7 54.5 249 3 B K > - 0 0 72 -2,-0.3 3,-1.3 30,-0.2 -61,-0.2 -0.362 53.8 -95.5 -68.9 150.7 48.5 23.0 54.7 250 4 B D T 3 S+ 0 0 36 -63,-0.5 210,-0.2 -66,-0.3 209,-0.1 -0.435 113.5 31.9 -66.2 142.7 51.3 21.8 57.0 251 5 B G T 3 S+ 0 0 44 208,-2.3 -1,-0.3 207,-0.3 209,-0.2 0.549 88.4 156.6 85.7 8.0 54.5 21.3 55.0 252 6 B S E < -j 460 0C 11 -3,-1.3 209,-3.0 207,-1.0 2,-0.5 -0.393 39.9-142.7 -72.7 143.0 53.6 24.1 52.6 253 7 B L E -jk 461 278C 6 24,-0.5 26,-2.0 207,-0.2 27,-0.7 -0.914 19.1-158.6-101.5 126.0 56.2 25.9 50.6 254 8 B I E -j 462 0C 1 207,-2.8 209,-1.8 -2,-0.5 27,-0.2 -0.854 4.1-149.3-116.1 99.4 55.1 29.6 50.4 255 9 B P E -j 463 0C 1 0, 0.0 27,-2.8 0, 0.0 2,-0.4 -0.316 6.0-155.4 -64.8 141.8 56.6 31.6 47.5 256 10 B Y E +l 282 0C 2 207,-2.3 2,-0.3 25,-0.2 212,-0.2 -0.987 17.1 173.9-119.6 130.2 57.2 35.3 48.0 257 11 B L E -l 283 0C 1 25,-2.3 27,-3.2 -2,-0.4 2,-0.5 -0.965 31.3-121.7-134.8 150.9 57.3 37.6 45.0 258 12 B T E > -l 284 0C 1 -2,-0.3 3,-1.5 25,-0.2 2,-0.2 -0.819 33.7-119.2 -93.2 126.0 57.5 41.4 44.6 259 13 B A T 3 S+ 0 0 0 25,-3.1 5,-0.1 -2,-0.5 55,-0.1 -0.461 97.2 18.8 -65.8 128.7 54.6 42.8 42.7 260 14 B G T 3 S+ 0 0 2 3,-0.3 4,-0.3 -2,-0.2 -1,-0.2 0.626 81.4 162.5 88.2 15.1 55.9 44.5 39.5 261 15 B D S < S- 0 0 1 -3,-1.5 -1,-0.2 2,-0.3 -3,-0.2 -0.873 90.2 -19.2-112.3 101.4 59.3 42.9 39.4 262 16 B P S S- 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 142.9 -24.5 -82.5 -21.5 60.1 43.4 36.5 263 17 B D > - 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0 0 31 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.845 53.3-178.2 86.2 37.3 56.9 52.2 37.2 309 63 B F < - 0 0 18 -5,-1.6 2,-0.4 -6,-0.1 -1,-0.2 -0.458 9.0-158.6 -70.2 139.4 54.9 50.0 39.6 310 64 B K > - 0 0 135 -2,-0.2 3,-2.7 1,-0.1 4,-0.4 -0.960 24.5-115.5-121.7 138.8 51.7 51.5 40.9 311 65 B L T > S+ 0 0 39 -2,-0.4 3,-2.2 1,-0.3 4,-0.4 0.828 111.3 47.4 -33.9 -65.8 49.9 50.4 44.1 312 66 B R T 3> S+ 0 0 123 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.493 89.9 82.0 -65.0 -2.7 46.7 49.0 42.5 313 67 B E H <> S+ 0 0 52 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.714 86.4 61.9 -71.4 -18.8 48.6 47.0 40.0 314 68 B A H <> S+ 0 0 1 -3,-2.2 4,-2.3 -4,-0.4 -1,-0.2 0.910 100.9 49.7 -70.3 -42.7 49.0 44.6 42.9 315 69 B F H > S+ 0 0 14 -4,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.837 107.9 55.4 -64.3 -32.9 45.2 44.2 43.0 316 70 B W H X S+ 0 0 75 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.968 107.6 48.1 -62.8 -52.2 45.3 43.6 39.2 317 71 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 115.6 44.7 -55.0 -44.3 47.9 40.7 39.7 318 72 B V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.956 113.1 49.5 -66.1 -51.0 45.7 39.2 42.5 319 73 B K H X S+ 0 0 103 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.920 114.8 44.3 -54.7 -48.8 42.4 39.6 40.6 320 74 B E H >< S+ 0 0 50 -4,-3.0 3,-1.0 1,-0.2 4,-0.5 0.901 112.2 52.3 -64.0 -42.2 43.9 38.0 37.4 321 75 B F H >X S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.3 4,-1.5 0.917 102.1 61.5 -58.8 -44.4 45.6 35.2 39.4 322 76 B R H 3< S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 89.1 69.4 -56.1 -24.2 42.3 34.4 41.0 323 77 B R T << S+ 0 0 153 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.794 115.6 25.7 -66.1 -26.3 40.7 33.6 37.7 324 78 B H T <4 S+ 0 0 127 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.585 124.3 40.1-112.2 -15.7 42.9 30.5 37.6 325 79 B S < - 0 0 12 -4,-1.5 -1,-0.2 2,-0.1 -53,-0.0 -0.982 39.7-166.4-143.1 153.0 43.6 29.7 41.3 326 80 B S + 0 0 86 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.280 48.7 138.2-111.1 3.3 42.2 29.6 44.7 327 81 B T - 0 0 14 1,-0.1 -47,-0.1 -47,-0.1 -2,-0.1 -0.267 66.3 -96.7 -53.3 130.6 45.6 29.3 46.4 328 82 B P - 0 0 8 0, 0.0 -47,-2.1 0, 0.0 2,-0.5 -0.188 41.3-155.2 -52.3 136.3 45.7 31.5 49.5 329 83 B I E -m 281 0C 2 25,-0.3 27,-2.3 -49,-0.2 28,-2.0 -0.969 10.5-167.1-125.2 126.7 47.2 35.0 49.0 330 84 B V E -mn 282 357C 1 -49,-3.4 -47,-3.0 -2,-0.5 2,-0.6 -0.937 15.3-144.0-110.3 126.7 48.8 37.2 51.6 331 85 B L E -mn 283 358C 0 26,-2.6 28,-2.6 -2,-0.5 2,-0.6 -0.810 14.7-159.0 -91.2 118.5 49.5 40.8 50.6 332 86 B M E +mn 284 359C 13 -49,-2.8 -47,-3.1 -2,-0.6 2,-0.3 -0.883 26.7 148.3-102.3 121.1 52.8 41.9 52.2 333 87 B T E - n 0 360C 1 26,-2.8 28,-2.1 -2,-0.6 29,-0.3 -0.931 46.9-109.2-146.2 168.2 53.2 45.7 52.6 334 88 B Y > - 0 0 4 -49,-0.3 4,-0.8 -2,-0.3 25,-0.0 -0.644 39.5-115.5 -92.0 157.2 54.7 48.5 54.6 335 89 B Y H > S+ 0 0 16 -2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.902 102.3 75.5 -61.9 -44.9 52.2 50.7 56.5 336 90 B N H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.821 96.4 46.4 -34.5 -58.4 52.8 53.9 54.6 337 91 B P H > S+ 0 0 14 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.925 116.6 43.9 -56.4 -47.9 50.9 52.8 51.5 338 92 B I H >X S+ 0 0 0 -4,-0.8 4,-1.3 -3,-0.5 3,-0.9 0.969 116.4 47.6 -59.9 -55.3 47.9 51.5 53.4 339 93 B Y H 3< S+ 0 0 142 -4,-2.9 3,-0.4 1,-0.3 4,-0.2 0.886 111.2 50.0 -52.8 -46.9 47.9 54.5 55.7 340 94 B R H 3< S+ 0 0 179 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.720 116.3 42.6 -68.3 -21.3 48.1 57.0 52.9 341 95 B A H << S- 0 0 29 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.534 125.2 -92.0-102.1 -8.2 45.2 55.3 51.0 342 96 B G X - 0 0 23 -4,-1.3 4,-2.9 -3,-0.4 5,-0.2 0.575 29.1-118.1 96.4 111.1 43.0 54.8 54.0 343 97 B V H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.905 111.7 39.4 -42.9 -66.1 43.1 51.5 56.0 344 98 B R H > S+ 0 0 98 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.873 115.1 54.8 -57.5 -38.7 39.5 50.3 55.4 345 99 B N H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 111.7 44.6 -59.6 -46.0 39.7 51.5 51.8 346 100 B F H X S+ 0 0 0 -4,-2.9 4,-2.7 -8,-0.2 -2,-0.2 0.941 116.8 43.5 -64.0 -49.9 42.8 49.5 51.2 347 101 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.889 113.8 51.1 -64.3 -40.5 41.6 46.3 53.0 348 102 B A H X S+ 0 0 37 -4,-3.1 4,-2.0 -5,-0.3 -1,-0.2 0.922 114.3 44.8 -61.8 -43.9 38.1 46.6 51.3 349 103 B E H X S+ 0 0 60 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.881 112.1 52.0 -67.6 -39.8 39.8 46.9 48.0 350 104 B A H X>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 4,-1.1 0.939 109.4 49.6 -62.3 -47.9 42.3 44.1 48.8 351 105 B K H ><5S+ 0 0 93 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.922 107.1 54.9 -56.8 -47.9 39.5 41.7 49.7 352 106 B A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.2 52.0 -56.8 -35.0 37.5 42.4 46.6 353 107 B S H 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.4 -31,-0.2 0.747 128.9 -92.2 -76.2 -24.6 40.5 41.5 44.4 354 108 B G T <<5S+ 0 0 14 -4,-1.1 -25,-0.3 -3,-0.8 -3,-0.2 0.463 70.8 150.5 127.1 3.6 41.0 38.2 46.1 355 109 B V < - 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