==== 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 2DZV . 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) . 21323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 15.1 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 39.7 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 1 1 0 2 4 7 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 0 0 0 0 1 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 22 0, 0.0 2,-0.3 0, 0.0 435,-0.1 0.000 360.0 360.0 360.0 -10.6 42.8 26.6 68.1 2 2 A F - 0 0 0 433,-0.3 32,-0.1 432,-0.1 3,-0.1 -0.883 360.0 -83.7-138.4 166.7 45.6 25.0 70.0 3 3 A K > - 0 0 76 -2,-0.3 3,-1.4 30,-0.2 432,-0.2 -0.325 52.7 -96.6 -69.6 154.1 49.4 24.5 69.8 4 4 A D T 3 S+ 0 0 38 430,-0.5 209,-0.2 1,-0.2 208,-0.1 -0.432 113.4 33.8 -68.0 146.4 50.9 21.7 67.7 5 5 A G T 3 S+ 0 0 44 207,-2.1 -1,-0.2 206,-0.3 208,-0.2 0.488 89.6 158.3 84.9 2.7 51.6 18.7 69.8 6 6 A S E < -a 213 0A 10 -3,-1.4 208,-3.1 206,-1.1 2,-0.5 -0.216 38.8-145.7 -63.9 146.4 48.6 19.4 72.0 7 7 A L E -a 214 0A 6 24,-0.5 26,-2.2 206,-0.2 27,-0.8 -0.949 19.3-157.7-108.6 130.0 46.9 16.8 74.1 8 8 A I E -a 215 0A 1 206,-3.6 208,-2.5 -2,-0.5 27,-0.2 -0.838 2.5-149.7-119.3 97.9 43.2 17.6 74.2 9 9 A P E -a 216 0A 1 0, 0.0 27,-3.3 0, 0.0 2,-0.4 -0.297 7.3-160.0 -63.9 145.4 41.1 16.2 77.1 10 10 A Y E +b 36 0A 3 206,-1.9 2,-0.3 25,-0.2 27,-0.2 -0.999 14.8 173.6-125.5 127.2 37.4 15.4 76.5 11 11 A L E -b 37 0A 1 25,-2.2 27,-3.4 -2,-0.4 2,-0.5 -0.964 30.6-123.1-133.1 149.8 35.1 15.2 79.4 12 12 A T E > -b 38 0A 2 -2,-0.3 3,-1.1 25,-0.2 27,-0.2 -0.798 34.3-116.1 -92.5 132.9 31.3 14.8 79.6 13 13 A A T 3 S+ 0 0 0 25,-3.4 5,-0.1 -2,-0.5 55,-0.1 -0.459 96.9 17.8 -67.9 136.3 29.6 17.5 81.6 14 14 A G T 3 S+ 0 0 3 3,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.724 81.5 159.4 77.3 21.0 27.8 16.3 84.7 15 15 A D S < S- 0 0 2 -3,-1.1 -1,-0.2 2,-0.3 -3,-0.2 -0.878 94.1 -17.7-118.8 97.9 29.7 13.0 84.9 16 16 A P S S- 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 143.1 -31.9 -81.9 -17.7 29.3 12.4 87.8 17 17 A D > - 0 0 41 1,-0.0 4,-2.4 46,-0.0 3,-0.4 -0.982 55.9-103.0-160.1 157.8 28.3 16.1 88.5 18 18 A K H > S+ 0 0 61 -2,-0.3 4,-1.7 -4,-0.2 5,-0.1 0.724 119.1 56.2 -57.3 -23.6 29.1 19.6 87.3 19 19 A Q H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 108.5 44.1 -75.3 -45.3 31.3 20.1 90.3 20 20 A S H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.872 109.9 57.9 -66.4 -35.4 33.5 17.1 89.7 21 21 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.949 106.7 47.9 -59.6 -47.3 33.7 18.1 86.0 22 22 A L H X S+ 0 0 11 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.937 110.9 51.4 -58.0 -47.6 35.1 21.5 87.0 23 23 A N H X S+ 0 0 67 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.906 109.8 49.3 -56.0 -45.1 37.6 19.8 89.3 24 24 A F H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.935 110.9 50.0 -61.4 -46.4 38.8 17.4 86.6 25 25 A L H X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 3,-0.2 0.933 111.6 47.4 -57.3 -49.9 39.2 20.3 84.1 26 26 A L H < S+ 0 0 62 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.798 112.7 51.1 -62.8 -29.2 41.3 22.4 86.6 27 27 A A H < S+ 0 0 13 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.811 116.8 37.5 -78.9 -30.2 43.4 19.3 87.4 28 28 A L H >X S+ 0 0 0 -4,-2.0 3,-2.0 -3,-0.2 4,-1.0 0.527 89.6 94.4 -98.6 -8.2 44.1 18.5 83.7 29 29 A D G >< S+ 0 0 36 -4,-1.5 3,-1.0 1,-0.3 -1,-0.1 0.874 76.4 61.8 -51.0 -44.9 44.5 22.1 82.5 30 30 A E G 34 S+ 0 0 138 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.591 111.3 39.8 -61.4 -12.0 48.3 22.1 83.0 31 31 A Y G <4 S+ 0 0 26 -3,-2.0 -24,-0.5 -25,-0.0 2,-0.3 0.534 99.8 97.9-110.2 -13.4 48.6 19.3 80.4 32 32 A A << - 0 0 17 -4,-1.0 -24,-0.2 -3,-1.0 3,-0.1 -0.561 44.4-175.4 -88.0 139.5 46.0 20.5 78.0 33 33 A G S S- 0 0 8 -26,-2.2 2,-0.3 1,-0.4 -30,-0.2 0.667 86.3 -13.3 -94.9 -23.4 46.4 22.5 74.8 34 34 A A - 0 0 1 -27,-0.8 -1,-0.4 47,-0.1 2,-0.4 -0.957 69.5-129.0-165.2 168.2 42.7 22.7 74.5 35 35 A I E - c 0 83A 1 47,-1.8 49,-3.3 -2,-0.3 2,-0.5 -0.995 2.9-152.7-138.6 135.8 39.6 21.1 76.1 36 36 A E E -bc 10 84A 0 -27,-3.3 -25,-2.2 -2,-0.4 2,-0.6 -0.925 13.2-166.1-104.2 122.8 36.5 19.4 74.7 37 37 A L E -bc 11 85A 2 47,-3.0 49,-2.6 -2,-0.5 2,-0.3 -0.943 11.2-148.9-113.1 116.3 33.4 19.5 77.0 38 38 A G E -bc 12 86A 1 -27,-3.4 -25,-3.4 -2,-0.6 49,-0.2 -0.663 4.9-143.2 -91.9 138.6 30.6 17.2 76.0 39 39 A I - 0 0 3 47,-2.4 49,-0.2 -2,-0.3 16,-0.1 -0.856 29.2-120.6 -96.2 116.2 26.9 17.9 76.6 40 40 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 25,-0.1 -0.270 33.3-171.9 -58.9 142.5 25.1 14.7 77.5 41 41 A F - 0 0 21 11,-0.1 18,-0.1 1,-0.1 14,-0.0 -0.980 31.9-125.1-136.3 147.6 22.3 13.7 75.2 42 42 A S S S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.3 14,-0.0 0.883 107.6 37.8 -60.2 -39.7 19.6 11.0 75.3 43 43 A D + 0 0 102 1,-0.1 2,-1.9 -3,-0.1 -1,-0.3 -0.606 64.4 167.5-116.5 72.8 20.6 9.5 72.0 44 44 A P > + 0 0 3 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.273 15.1 155.1 -79.8 54.1 24.4 9.6 71.6 45 45 A I T 3 + 0 0 137 -2,-1.9 7,-0.0 1,-0.3 -2,-0.0 0.592 64.8 58.4 -59.2 -14.1 24.4 7.3 68.6 46 46 A A T 3 S+ 0 0 55 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.678 92.1 86.1 -91.7 -16.0 27.6 8.7 67.2 47 47 A D S < S- 0 0 17 -3,-1.7 2,-0.1 1,-0.1 118,-0.0 -0.474 77.9-112.5 -89.4 155.5 29.7 7.9 70.3 48 48 A G > - 0 0 34 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.318 44.0 -89.6 -76.9 165.6 31.5 4.7 71.3 49 49 A K H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.806 122.6 51.5 -43.4 -48.4 30.4 2.6 74.3 50 50 A T H > S+ 0 0 41 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.946 114.9 40.2 -60.4 -51.3 32.5 4.4 76.9 51 51 A I H > S+ 0 0 20 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.857 110.0 60.5 -69.2 -32.2 31.4 7.9 76.1 52 52 A Q H X S+ 0 0 49 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.922 104.6 49.2 -59.7 -43.4 27.8 6.7 75.6 53 53 A E H X S+ 0 0 73 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.796 105.2 56.6 -67.4 -29.9 27.7 5.5 79.2 54 54 A S H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.864 105.8 53.0 -69.3 -33.3 29.0 8.8 80.5 55 55 A H H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.912 110.2 46.9 -64.5 -43.1 26.1 10.5 78.8 56 56 A Y H X S+ 0 0 98 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.945 113.3 48.5 -64.3 -48.7 23.7 8.1 80.5 57 57 A R H X S+ 0 0 64 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.964 111.3 49.0 -54.9 -57.8 25.4 8.7 83.9 58 58 A A H <>S+ 0 0 0 -4,-2.7 5,-1.2 1,-0.2 -1,-0.2 0.926 115.5 44.3 -48.6 -52.8 25.4 12.5 83.6 59 59 A L H ><5S+ 0 0 58 -4,-2.3 3,-2.9 3,-0.2 -1,-0.2 0.949 109.8 54.7 -60.7 -49.7 21.7 12.5 82.6 60 60 A K H 3<5S+ 0 0 179 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.924 104.2 54.8 -49.8 -48.8 20.7 10.0 85.3 61 61 A N T 3<5S- 0 0 107 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.397 129.5-103.5 -67.7 7.6 22.3 12.3 87.9 62 62 A G T < 5 - 0 0 37 -3,-2.9 -3,-0.2 -5,-0.2 2,-0.2 0.923 51.9-177.4 73.9 48.8 20.0 14.9 86.4 63 63 A F < - 0 0 9 -5,-1.2 2,-0.4 -4,-0.2 -1,-0.2 -0.529 8.7-156.3 -78.1 146.9 22.2 17.1 84.3 64 64 A K > - 0 0 144 -2,-0.2 3,-3.7 1,-0.1 4,-0.3 -0.990 24.8-112.1-130.6 131.1 20.7 20.0 82.5 65 65 A L T > S+ 0 0 37 -2,-0.4 3,-2.3 1,-0.3 4,-0.2 0.694 112.3 47.4 -19.0 -72.2 21.9 21.8 79.4 66 66 A R T >> S+ 0 0 133 1,-0.3 4,-1.0 2,-0.2 3,-0.8 0.543 88.7 84.6 -61.0 -5.8 22.9 25.2 80.8 67 67 A E H <> S+ 0 0 56 -3,-3.7 4,-1.4 1,-0.2 -1,-0.3 0.692 83.8 64.8 -67.9 -13.5 24.8 23.4 83.6 68 68 A A H <> S+ 0 0 0 -3,-2.3 4,-1.9 -4,-0.3 -1,-0.2 0.793 95.8 52.5 -77.0 -31.5 27.6 23.3 81.0 69 69 A F H <> S+ 0 0 14 -3,-0.8 4,-2.8 -4,-0.2 5,-0.2 0.757 104.6 57.8 -75.3 -24.6 27.9 27.1 80.9 70 70 A W H X S+ 0 0 72 -4,-1.0 4,-2.6 2,-0.2 5,-0.3 0.950 106.3 48.5 -67.5 -49.1 28.4 27.0 84.6 71 71 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.932 116.0 43.5 -55.2 -50.5 31.3 24.7 84.3 72 72 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.963 112.8 50.3 -61.7 -55.1 32.9 26.9 81.6 73 73 A K H X S+ 0 0 106 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.906 115.0 44.1 -50.6 -48.7 32.3 30.2 83.3 74 74 A E H >X S+ 0 0 44 -4,-2.6 3,-0.9 1,-0.2 4,-0.7 0.934 112.7 51.7 -62.8 -47.0 33.8 28.9 86.6 75 75 A F H >X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 3,-1.6 0.902 103.8 59.7 -55.9 -42.7 36.7 27.3 84.7 76 76 A R H 3< S+ 0 0 53 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.799 90.4 68.2 -57.9 -31.4 37.3 30.7 83.0 77 77 A R H << S+ 0 0 155 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.853 117.7 24.7 -57.7 -31.3 37.9 32.4 86.3 78 78 A H H << S+ 0 0 129 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.848 125.2 33.7-101.4 -42.2 41.0 30.3 86.5 79 79 A S < - 0 0 12 -4,-2.9 -1,-0.2 2,-0.1 -53,-0.0 -0.831 41.0-162.7-123.8 158.2 42.1 29.4 82.9 80 80 A S + 0 0 89 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.088 46.5 141.7-116.9 16.5 42.0 30.8 79.4 81 81 A T - 0 0 11 1,-0.1 -47,-0.1 -47,-0.1 -2,-0.1 -0.400 65.5 -95.3 -61.9 130.4 42.6 27.4 77.7 82 82 A P - 0 0 10 0, 0.0 -47,-1.8 0, 0.0 2,-0.4 -0.172 43.4-155.7 -49.1 138.6 40.6 27.1 74.5 83 83 A I E -c 35 0A 1 25,-0.2 27,-2.1 -49,-0.2 28,-1.8 -0.985 10.0-166.9-125.9 126.5 37.3 25.3 75.2 84 84 A V E -cd 36 111A 2 -49,-3.3 -47,-3.0 -2,-0.4 2,-0.5 -0.954 13.2-145.9-113.0 127.1 35.3 23.5 72.5 85 85 A L E -cd 37 112A 1 26,-2.5 28,-2.9 -2,-0.5 2,-0.5 -0.816 12.4-159.4 -92.9 125.7 31.7 22.5 73.3 86 86 A M E +cd 38 113A 15 -49,-2.6 -47,-2.4 -2,-0.5 2,-0.3 -0.914 25.9 146.2-107.5 131.7 30.6 19.2 71.8 87 87 A T E - d 0 114A 2 26,-2.7 28,-1.9 -2,-0.5 29,-0.3 -0.966 46.7-104.8-155.2 170.0 26.9 18.5 71.4 88 88 A Y > - 0 0 3 -2,-0.3 4,-0.7 -49,-0.2 29,-0.0 -0.610 38.1-117.5 -93.5 161.1 24.1 16.9 69.3 89 89 A Y H >> S+ 0 0 18 -2,-0.2 4,-2.6 1,-0.2 3,-1.2 0.949 102.0 72.7 -65.9 -47.6 22.0 19.2 67.2 90 90 A N H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.808 95.7 49.1 -32.5 -61.7 18.7 18.4 69.0 91 91 A P H 3> S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.878 118.0 41.7 -50.7 -42.6 19.5 20.4 72.2 92 92 A I H << S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.7 8,-0.2 0.891 113.0 50.0 -74.8 -43.8 20.6 23.4 70.2 93 93 A Y H >< S+ 0 0 143 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.923 115.4 45.5 -61.9 -42.9 17.8 23.4 67.6 94 94 A R H 3< S+ 0 0 181 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.868 115.9 46.2 -67.1 -37.7 15.3 23.1 70.4 95 95 A A T 3< S- 0 0 29 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.211 124.9 -92.3 -92.8 16.0 17.0 25.9 72.4 96 96 A G <> - 0 0 27 -3,-1.0 4,-2.7 -4,-0.2 5,-0.2 0.825 29.3-126.8 75.0 107.7 17.4 28.3 69.6 97 97 A V H > S+ 0 0 21 -4,-0.2 4,-2.8 1,-0.2 3,-0.3 0.938 105.7 38.9 -47.7 -69.9 20.7 28.2 67.6 98 98 A R H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.882 116.3 54.2 -52.3 -42.9 21.9 31.8 67.8 99 99 A N H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 111.0 44.9 -59.4 -43.6 20.6 32.0 71.4 100 100 A F H X S+ 0 0 4 -4,-2.7 4,-2.9 -3,-0.3 5,-0.2 0.958 113.6 48.6 -65.8 -51.0 22.7 29.0 72.4 101 101 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.911 112.6 49.7 -55.7 -44.1 25.8 30.2 70.6 102 102 A A H X S+ 0 0 35 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.951 112.2 46.0 -60.2 -51.1 25.5 33.6 72.2 103 103 A E H X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 113.0 50.7 -58.7 -43.9 25.1 32.2 75.7 104 104 A A H X>S+ 0 0 3 -4,-2.9 5,-2.5 1,-0.2 4,-1.1 0.922 108.1 53.1 -59.5 -45.5 28.0 29.9 75.1 105 105 A K H <5S+ 0 0 94 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.896 110.0 48.1 -57.7 -41.2 30.1 32.8 73.9 106 106 A A H <5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 106.1 56.7 -69.0 -36.4 29.3 34.7 77.1 107 107 A S H <5S- 0 0 9 -4,-2.3 -31,-0.3 -5,-0.2 -1,-0.2 0.733 128.0 -98.6 -67.3 -19.5 30.2 31.6 79.3 108 108 A G T <5 + 0 0 17 -4,-1.1 -25,-0.2 -3,-0.4 -3,-0.2 0.541 68.9 153.0 114.4 9.9 33.6 31.7 77.6 109 109 A V < - 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0 0 30 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.384 44.2 -89.3 -83.0 168.3 67.4 41.3 53.1 295 49 B K H > S+ 0 0 155 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.839 121.8 49.7 -43.8 -50.0 69.7 42.4 50.2 296 50 B T H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.948 114.4 41.2 -60.6 -53.8 68.1 40.2 47.6 297 51 B I H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 112.2 56.9 -65.7 -34.8 64.5 41.1 48.2 298 52 B Q H X S+ 0 0 47 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.937 106.3 50.1 -59.8 -45.1 65.4 44.8 48.6 299 53 B E H X S+ 0 0 73 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.819 106.8 54.7 -63.4 -31.5 67.0 44.7 45.1 300 54 B S H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.866 105.9 51.9 -70.9 -34.0 63.9 43.2 43.6 301 55 B H H X S+ 0 0 4 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.907 109.4 52.2 -65.2 -38.1 61.9 46.0 45.1 302 56 B Y H X S+ 0 0 103 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.917 109.9 46.8 -62.7 -46.8 64.4 48.3 43.4 303 57 B R H X S+ 0 0 63 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.980 110.7 51.2 -60.0 -57.9 64.0 46.6 40.0 304 58 B A H <>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 -2,-0.2 0.898 115.4 42.2 -45.5 -52.4 60.1 46.6 40.0 305 59 B L H ><5S+ 0 0 64 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.920 113.3 51.0 -64.0 -46.7 60.0 50.3 40.9 306 60 B K H 3<5S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 109.0 54.5 -59.2 -34.9 62.7 51.4 38.4 307 61 B N T 3<5S- 0 0 107 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.419 129.7 -93.6 -80.5 0.6 60.8 49.4 35.8 308 62 B G T < 5 + 0 0 27 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.771 55.9 177.8 97.6 27.8 57.6 51.3 36.4 309 63 B F < - 0 0 15 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.2 -0.385 10.2-160.6 -67.2 141.3 55.6 49.3 39.0 310 64 B K >> - 0 0 126 1,-0.1 3,-2.9 -2,-0.1 4,-0.5 -0.986 25.0-117.9-126.6 132.9 52.3 50.8 40.1 311 65 B L H >> S+ 0 0 45 -2,-0.4 3,-1.5 1,-0.3 4,-0.5 0.751 110.1 49.6 -31.6 -56.2 50.4 49.8 43.3 312 66 B R H 3> S+ 0 0 138 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.570 91.9 76.9 -71.0 -7.7 47.2 48.5 41.7 313 67 B E H <> S+ 0 0 49 -3,-2.9 4,-2.3 1,-0.2 -1,-0.3 0.786 89.6 61.0 -68.9 -25.6 49.1 46.3 39.3 314 68 B A H < S+ 0 0 49 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.887 112.3 51.1 -61.7 -39.1 44.3 37.4 37.0 321 75 B F H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-1.7 0.881 100.8 63.0 -65.0 -38.9 45.8 34.6 39.1 322 76 B R H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.667 89.7 69.8 -60.3 -18.4 42.4 34.0 40.7 323 77 B R T << S+ 0 0 152 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.786 115.1 22.7 -71.7 -27.0 41.0 33.0 37.3 324 78 B H T <4 S+ 0 0 138 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.605 125.4 40.0-113.0 -19.0 43.1 29.8 37.2 325 79 B S < - 0 0 15 -4,-2.1 -1,-0.1 1,-0.1 -53,-0.0 -0.938 40.4-166.7-138.0 159.5 43.8 29.2 40.9 326 80 B S + 0 0 84 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.217 45.6 139.9-120.4 7.9 42.3 29.2 44.4 327 81 B T - 0 0 14 1,-0.1 -47,-0.1 -47,-0.1 -48,-0.1 -0.300 67.0 -94.9 -55.4 132.1 45.7 28.8 46.2 328 82 B P - 0 0 7 0, 0.0 -47,-2.0 0, 0.0 2,-0.4 -0.216 44.1-154.4 -52.3 133.1 45.7 31.1 49.3 329 83 B I E -l 281 0B 2 25,-0.3 27,-1.9 -49,-0.2 28,-1.8 -0.947 10.8-166.6-119.3 134.6 47.3 34.4 48.6 330 84 B V E -lm 282 357B 1 -49,-3.6 -47,-3.0 -2,-0.4 2,-0.6 -0.973 13.0-145.6-118.9 126.2 49.0 36.7 51.1 331 85 B L E -lm 283 358B 0 26,-2.2 28,-2.5 -2,-0.5 2,-0.5 -0.821 13.4-160.9 -93.5 119.2 49.8 40.3 50.2 332 86 B M E +lm 284 359B 15 -49,-2.1 -47,-2.6 -2,-0.6 2,-0.3 -0.856 26.0 146.3-101.0 132.6 53.0 41.5 51.8 333 87 B T E - m 0 360B 3 26,-2.1 28,-2.0 -2,-0.5 29,-0.3 -0.990 47.2-105.6-159.4 163.3 53.5 45.3 52.0 334 88 B Y > - 0 0 4 -49,-0.3 4,-0.7 -2,-0.3 25,-0.0 -0.617 39.1-115.8 -88.8 156.2 54.9 48.2 54.0 335 89 B Y H > S+ 0 0 20 -2,-0.2 4,-3.2 1,-0.2 3,-0.3 0.843 100.3 77.7 -62.8 -37.7 52.4 50.4 55.8 336 90 B N H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 95.7 45.9 -41.9 -53.5 53.0 53.6 53.9 337 91 B P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.914 116.1 45.1 -58.9 -45.5 51.0 52.6 50.8 338 92 B I H X S+ 0 0 0 -4,-0.7 4,-3.3 -3,-0.3 8,-0.3 0.928 113.6 51.7 -63.0 -45.4 48.0 51.3 52.9 339 93 B Y H < S+ 0 0 146 -4,-3.2 -1,-0.2 1,-0.2 4,-0.2 0.939 109.2 48.0 -56.9 -52.7 48.2 54.4 55.1 340 94 B R H < S+ 0 0 201 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.878 119.2 39.8 -57.9 -41.4 48.1 56.9 52.2 341 95 B A H < S- 0 0 36 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.888 122.1 -99.0 -76.7 -41.0 45.2 55.1 50.5 342 96 B G X - 0 0 19 -4,-3.3 4,-3.4 -5,-0.2 5,-0.2 0.086 21.8-111.4 120.6 124.1 43.2 54.3 53.7 343 97 B V H > S+ 0 0 19 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.934 115.2 40.4 -46.7 -65.4 43.2 51.0 55.6 344 98 B R H > S+ 0 0 101 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.888 117.0 50.9 -56.0 -41.1 39.6 50.0 54.9 345 99 B N H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.952 115.4 42.5 -60.9 -48.3 39.8 51.1 51.3 346 100 B F H X S+ 0 0 0 -4,-3.4 4,-2.8 -8,-0.3 -2,-0.2 0.953 118.0 44.3 -62.1 -53.4 43.1 49.2 50.8 347 101 B L H X S+ 0 0 0 -4,-3.6 4,-2.6 -5,-0.2 -2,-0.2 0.926 115.8 47.8 -58.7 -46.8 41.9 46.1 52.7 348 102 B A H X S+ 0 0 33 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.938 113.5 47.7 -59.6 -47.7 38.5 46.2 50.9 349 103 B E H X S+ 0 0 58 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.879 111.4 52.0 -61.0 -38.3 40.2 46.7 47.6 350 104 B A H X>S+ 0 0 1 -4,-2.8 5,-2.0 1,-0.2 4,-0.7 0.901 107.7 51.1 -64.7 -43.5 42.5 43.8 48.4 351 105 B K H ><5S+ 0 0 96 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.914 107.0 53.9 -60.9 -44.0 39.6 41.5 49.3 352 106 B A H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 102.9 57.7 -62.0 -29.1 37.9 42.2 46.0 353 107 B S H 3<5S- 0 0 10 -4,-1.1 -31,-0.3 -3,-0.3 -1,-0.3 0.678 127.4 -95.9 -77.6 -15.8 41.0 41.3 44.1 354 108 B G T <<5S+ 0 0 18 -3,-1.2 -25,-0.3 -4,-0.7 2,-0.3 0.546 71.4 151.3 113.4 11.1 41.0 37.8 45.6 355 109 B V < - 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