==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-AUG-11 3THA . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR J.OSIPIUK,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 497 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.7 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 . 2 0.4 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 3 3 2 4 5 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 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 0 A A 0 0 112 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 155.2 4.8 53.0 73.0 2 1 A X - 0 0 62 1,-0.1 138,-0.1 138,-0.1 137,-0.1 -0.489 360.0 -98.6 -64.2 125.8 2.1 51.5 70.9 3 2 A V - 0 0 24 136,-0.5 2,-0.6 113,-0.3 161,-0.5 -0.116 25.6-161.1 -42.6 125.5 1.8 53.2 67.5 4 3 A D > - 0 0 92 1,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.900 5.9-167.7-108.4 100.7 -0.8 56.0 66.7 5 4 A F G > S+ 0 0 0 -2,-0.6 3,-1.5 159,-0.4 4,-0.3 0.681 80.4 74.0 -64.6 -18.9 -0.9 56.1 62.8 6 5 A R G 3 S+ 0 0 107 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.686 88.9 65.0 -66.0 -15.1 -2.9 59.3 62.8 7 6 A K G < S+ 0 0 156 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.643 91.9 61.6 -77.7 -17.7 0.5 60.9 63.8 8 7 A F S < S+ 0 0 43 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.464 109.8 25.5 -96.2 -2.1 2.2 59.9 60.5 9 8 A Y - 0 0 20 -3,-0.5 4,-0.1 -4,-0.3 212,-0.0 -0.967 57.3-149.0-152.6 165.1 -0.0 62.0 58.1 10 9 A K S S+ 0 0 201 -2,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.836 87.8 1.3 -99.9 -78.1 -2.2 65.1 58.1 11 10 A E S S- 0 0 187 1,-0.3 2,-0.3 0, 0.0 -2,-0.1 0.945 133.6 -10.0 -85.0 -51.0 -5.1 64.8 55.6 12 11 A N S S- 0 0 21 210,-0.0 2,-0.4 189,-0.0 -1,-0.3 -0.975 74.5-111.4-154.6 136.5 -4.7 61.4 54.1 13 12 A A E -a 221 0A 0 207,-2.7 209,-2.9 -2,-0.3 2,-0.7 -0.559 14.5-145.0 -81.6 126.1 -1.9 58.9 54.3 14 13 A N E -a 222 0A 16 -2,-0.4 27,-2.4 25,-0.3 28,-2.1 -0.813 26.3-174.3 -80.3 112.7 0.3 58.0 51.4 15 14 A V E -ab 223 42A 0 207,-2.6 209,-2.6 -2,-0.7 2,-0.3 -0.949 4.3-179.3-115.1 132.2 1.1 54.3 51.8 16 15 A A E -ab 224 43A 0 26,-2.5 28,-3.3 -2,-0.5 2,-0.4 -0.905 14.8-149.6-128.6 157.6 3.5 52.4 49.6 17 16 A Y E + b 0 44A 22 207,-1.5 2,-0.3 -2,-0.3 28,-0.2 -0.968 17.1 175.1-125.4 137.0 4.8 48.9 49.4 18 17 A T E - b 0 45A 1 26,-2.0 28,-3.1 -2,-0.4 2,-0.7 -0.988 31.8-122.7-137.4 154.1 8.1 47.7 48.2 19 18 A V E > - b 0 46A 1 -2,-0.3 3,-2.1 26,-0.2 28,-0.2 -0.855 33.8-130.7 -90.6 116.6 10.0 44.4 48.0 20 19 A L T 3 S+ 0 0 2 26,-2.3 28,-0.4 -2,-0.7 5,-0.1 -0.363 93.1 29.0 -68.3 138.7 13.3 44.7 49.9 21 20 A G T 3 S+ 0 0 0 3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.314 87.8 159.4 92.9 -8.6 16.1 43.5 47.9 22 21 A Y S < S- 0 0 25 -3,-2.1 -1,-0.2 1,-0.3 -3,-0.1 -0.833 82.4 -13.8-100.6 123.3 14.5 44.4 44.5 23 22 A P S S- 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.985 144.9 -23.2 -86.3 -0.3 16.5 44.7 42.3 24 23 A N > - 0 0 54 1,-0.1 4,-1.9 45,-0.0 -3,-0.4 -0.956 55.3-112.0-165.7 161.3 19.2 44.8 45.0 25 24 A L H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.3 -4,-0.1 0.791 115.6 57.8 -67.3 -34.6 19.6 45.5 48.6 26 25 A Q H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.852 104.6 52.1 -70.9 -30.1 21.7 48.6 47.9 27 26 A T H > S+ 0 0 31 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.964 111.0 47.4 -65.6 -49.9 18.8 50.0 45.9 28 27 A S H X S+ 0 0 1 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.908 111.6 52.7 -51.7 -46.4 16.4 49.4 48.9 29 28 A E H X S+ 0 0 44 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.967 112.0 42.5 -55.2 -59.7 19.1 51.0 51.1 30 29 A A H X S+ 0 0 40 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.868 114.0 53.4 -56.7 -39.6 19.3 54.1 49.0 31 30 A F H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 4,-0.4 0.973 109.5 47.2 -59.3 -51.3 15.6 54.2 48.7 32 31 A L H >< S+ 0 0 0 -4,-3.3 3,-0.9 1,-0.3 4,-0.4 0.815 106.7 59.0 -61.7 -29.1 15.1 54.0 52.5 33 32 A Q H 3< S+ 0 0 101 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.671 110.6 41.7 -73.9 -15.8 17.7 56.7 52.9 34 33 A R T X< S+ 0 0 79 -3,-1.8 3,-1.1 -4,-0.7 4,-0.3 0.297 82.8 101.6-111.4 4.0 15.5 59.1 50.8 35 34 A L G X S+ 0 0 0 -3,-0.9 3,-2.3 -4,-0.4 5,-0.2 0.925 74.2 63.5 -55.9 -46.8 12.2 58.0 52.3 36 35 A D G 3 S+ 0 0 66 -4,-0.4 -1,-0.3 48,-0.3 -2,-0.1 0.778 107.3 42.9 -43.5 -37.3 12.3 61.2 54.4 37 36 A Q G < S+ 0 0 153 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.273 99.5 88.3-100.8 11.3 12.1 63.3 51.1 38 37 A S S < S- 0 0 8 -3,-2.3 204,-0.0 -4,-0.3 203,-0.0 -0.622 85.9-118.5 -91.9 167.4 9.5 61.2 49.4 39 38 A P S S+ 0 0 27 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 0.400 78.0 117.3 -84.2 2.2 5.7 61.8 49.8 40 39 A I - 0 0 0 -5,-0.2 -2,-0.2 1,-0.2 -25,-0.2 -0.591 39.6-179.4 -73.4 127.6 5.3 58.3 51.3 41 40 A D S S+ 0 0 30 -27,-2.4 47,-2.0 -2,-0.4 2,-0.4 0.757 73.3 26.8 -92.7 -35.1 4.1 58.5 54.9 42 41 A I E -bc 15 88A 0 -28,-2.1 -26,-2.5 45,-0.2 2,-0.5 -0.999 68.7-161.8-135.6 134.1 4.0 54.8 55.6 43 42 A L E -bc 16 89A 0 45,-2.5 47,-2.2 -2,-0.4 2,-0.6 -0.977 8.3-151.6-121.6 120.5 6.2 52.1 53.9 44 43 A E E -bc 17 90A 2 -28,-3.3 -26,-2.0 -2,-0.5 2,-0.8 -0.835 16.6-145.6 -86.1 122.7 5.3 48.5 54.0 45 44 A L E -bc 18 91A 0 45,-3.6 47,-2.8 -2,-0.6 2,-0.5 -0.822 8.6-151.4 -93.7 109.6 8.5 46.5 53.8 46 45 A G E -bc 19 92A 1 -28,-3.1 -26,-2.3 -2,-0.8 2,-0.6 -0.716 11.6-164.8 -78.1 122.0 7.9 43.3 51.8 47 46 A V - 0 0 12 45,-1.6 47,-0.4 -2,-0.5 2,-0.2 -0.895 9.3-143.6-114.6 113.4 10.3 40.6 52.9 48 47 A A + 0 0 16 -2,-0.6 25,-0.2 -28,-0.4 3,-0.1 -0.452 33.6 152.3 -68.1 133.6 10.8 37.6 50.7 49 48 A Y + 0 0 93 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.635 67.6 22.8-122.8 -51.2 11.3 34.1 52.4 50 49 A S S S- 0 0 39 323,-0.0 -1,-0.5 321,-0.0 44,-0.1 -0.826 86.8 -99.9-110.4 159.7 10.0 31.4 50.0 51 50 A D - 0 0 20 -2,-0.3 320,-0.2 -3,-0.1 10,-0.1 -0.561 44.2-108.8 -71.5 141.2 9.5 31.6 46.1 52 51 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.246 31.6-142.5 -65.4 165.0 5.8 32.2 44.9 53 52 A I + 0 0 12 1,-0.1 421,-0.1 365,-0.1 399,-0.0 0.945 66.7 11.7-109.0 -86.2 3.8 29.5 43.3 54 53 A A S S+ 0 0 8 399,-0.1 421,-1.2 398,-0.1 399,-0.2 0.108 106.8 89.8 -90.4 26.4 1.2 29.3 40.4 55 54 A D - 0 0 33 419,-0.2 399,-1.8 397,-0.1 420,-0.3 0.637 50.9-170.2-104.5-133.9 2.1 32.9 39.2 56 55 A G + 0 0 23 397,-0.2 -1,-0.0 398,-0.1 400,-0.0 0.245 52.6 133.1 151.8 -1.3 4.3 35.0 36.9 57 56 A E > - 0 0 42 4,-0.0 4,-3.0 3,-0.0 5,-0.3 0.079 66.8 -89.9 -93.7 179.1 3.4 38.6 38.2 58 57 A I H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.927 120.1 32.9 -51.0 -62.8 4.8 42.0 39.3 59 58 A I H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 118.0 55.9 -66.0 -38.8 5.3 41.4 43.1 60 59 A A H > S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 106.5 48.0 -61.9 -45.0 6.1 37.8 42.7 61 60 A D H X S+ 0 0 33 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.880 109.1 52.7 -64.6 -36.8 9.1 38.3 40.3 62 61 A A H X S+ 0 0 1 -4,-1.5 4,-3.3 -5,-0.3 -1,-0.2 0.918 106.6 55.7 -60.8 -42.0 10.7 41.0 42.4 63 62 A A H X S+ 0 0 13 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.876 107.7 46.4 -61.8 -39.1 10.6 38.7 45.3 64 63 A K H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.840 113.3 49.6 -69.9 -38.7 12.5 35.8 43.5 65 64 A I H X S+ 0 0 41 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.959 107.5 54.0 -64.9 -47.8 15.1 38.2 42.3 66 65 A A H <>S+ 0 0 1 -4,-3.3 5,-1.5 1,-0.2 -1,-0.2 0.853 107.2 53.9 -54.9 -29.4 15.4 39.5 45.8 67 66 A L H ><5S+ 0 0 31 -4,-1.0 3,-2.1 1,-0.2 -1,-0.2 0.954 104.6 50.9 -74.0 -42.7 16.0 35.9 46.9 68 67 A D H 3<5S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.850 96.9 68.6 -62.1 -35.2 18.8 35.3 44.5 69 68 A Q T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.467 121.7-109.2 -59.7 -1.5 20.6 38.4 45.6 70 69 A G T < 5 + 0 0 51 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.729 66.6 159.3 74.0 22.8 21.0 36.4 48.9 71 70 A V < + 0 0 13 -5,-1.5 2,-0.3 -4,-0.2 -1,-0.3 -0.593 4.9 145.4 -83.5 136.7 18.5 38.7 50.5 72 71 A D > - 0 0 62 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 -0.935 63.4 -78.5-157.7 179.0 16.8 37.5 53.6 73 72 A I H > S+ 0 0 7 -2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.833 123.7 55.0 -56.2 -40.9 15.4 38.6 56.9 74 73 A H H > S+ 0 0 95 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.950 109.6 45.0 -62.5 -51.2 18.8 38.9 58.5 75 74 A S H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 114.5 52.7 -60.1 -30.9 20.3 41.2 55.8 76 75 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 3,-0.3 0.983 109.6 45.7 -67.7 -58.0 17.0 43.1 56.1 77 76 A F H X S+ 0 0 1 -4,-3.7 4,-1.5 1,-0.2 -2,-0.2 0.916 112.2 52.7 -42.0 -51.7 17.4 43.5 59.9 78 77 A E H X S+ 0 0 113 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.871 110.8 47.6 -56.8 -38.7 21.0 44.4 59.3 79 78 A L H >X S+ 0 0 1 -4,-2.0 3,-1.4 -3,-0.3 4,-0.9 0.899 102.9 60.9 -71.4 -43.3 19.9 47.1 56.8 80 79 A L H >< S+ 0 0 8 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.851 98.8 58.8 -54.7 -32.2 17.3 48.5 59.1 81 80 A A H 3< S+ 0 0 59 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.832 106.2 49.0 -62.0 -29.6 20.1 49.3 61.6 82 81 A R H << S+ 0 0 116 -3,-1.4 -1,-0.2 -4,-0.6 2,-0.2 0.619 96.9 88.9 -88.4 -11.4 21.8 51.5 59.1 83 82 A I << - 0 0 10 -4,-0.9 2,-0.4 -3,-0.7 -50,-0.1 -0.530 54.0-161.5 -91.9 144.4 18.7 53.5 58.1 84 83 A K + 0 0 144 -2,-0.2 2,-0.3 -52,-0.1 -48,-0.3 -0.969 25.7 149.1-124.9 122.5 17.3 56.7 59.5 85 84 A T - 0 0 30 -2,-0.4 4,-0.1 2,-0.1 -52,-0.1 -0.994 40.2-157.0-143.4 143.7 13.7 57.6 58.8 86 85 A K S S+ 0 0 175 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.537 71.9 99.1 -84.0 -10.3 10.9 59.5 60.5 87 86 A K S S- 0 0 40 1,-0.1 2,-0.2 -47,-0.0 -45,-0.2 -0.299 86.5 -95.8 -79.4 162.2 8.3 57.6 58.4 88 87 A A E -c 42 0A 3 -47,-2.0 -45,-2.5 -80,-0.1 2,-0.4 -0.591 36.4-154.2 -78.8 142.3 6.4 54.7 59.7 89 88 A L E -cd 43 115A 9 25,-0.5 27,-2.4 -2,-0.2 28,-0.6 -0.960 12.6-177.3-118.6 135.6 7.8 51.3 58.8 90 89 A V E -cd 44 117A 0 -47,-2.2 -45,-3.6 -2,-0.4 2,-0.3 -0.993 20.1-133.7-137.9 123.7 5.6 48.3 58.6 91 90 A F E -cd 45 118A 0 26,-2.0 28,-2.3 -2,-0.4 2,-0.5 -0.553 13.2-167.8 -72.1 139.8 6.7 44.7 57.8 92 91 A X E +cd 46 119A 26 -47,-2.8 -45,-1.6 -2,-0.3 2,-0.3 -0.882 31.0 142.9-127.0 103.4 4.7 42.7 55.4 93 92 A V - 0 0 2 26,-1.6 -45,-0.1 -2,-0.5 2,-0.1 -0.969 50.2-105.7-139.1 148.9 5.8 39.1 55.6 94 93 A Y >> - 0 0 72 -47,-0.4 3,-1.1 -2,-0.3 4,-0.8 -0.376 35.9-114.5 -70.8 157.6 4.3 35.6 55.5 95 94 A Y H >> S+ 0 0 43 26,-0.4 4,-2.9 1,-0.3 3,-0.6 0.800 110.5 69.3 -65.1 -30.4 3.9 33.7 58.7 96 95 A N H 3> S+ 0 0 4 275,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.785 97.0 51.6 -58.2 -30.8 6.4 31.1 57.6 97 96 A L H <> S+ 0 0 1 -3,-1.1 4,-0.9 2,-0.2 -1,-0.3 0.813 113.2 45.0 -80.4 -28.6 9.2 33.6 57.8 98 97 A I H S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 111.2 38.4 -63.8 -53.4 7.9 34.5 67.1 104 103 A E H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 117.8 50.4 -60.4 -51.5 9.1 36.4 70.2 105 104 A K H > S+ 0 0 156 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.950 113.1 47.4 -50.2 -52.1 12.6 36.9 68.7 106 105 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 -8,-0.2 -1,-0.2 0.925 112.9 46.4 -59.1 -46.2 11.1 38.3 65.5 107 106 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.917 113.4 51.8 -65.4 -35.1 8.7 40.6 67.2 108 107 A K H X S+ 0 0 123 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 111.8 44.1 -68.1 -47.4 11.6 41.7 69.5 109 108 A K H X S+ 0 0 81 -4,-2.9 4,-1.8 2,-0.2 6,-0.2 0.909 112.3 53.7 -61.0 -39.3 14.0 42.5 66.6 110 109 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.3 3,-0.5 0.962 112.4 43.3 -63.7 -51.1 11.3 44.2 64.6 111 110 A K H ><5S+ 0 0 63 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.918 110.8 54.5 -52.8 -53.3 10.5 46.5 67.5 112 111 A S H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.0 51.9 -55.9 -28.4 14.1 47.1 68.3 113 112 A L T <<5S- 0 0 35 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.134 124.7 -93.2 -99.2 18.9 14.6 48.2 64.7 114 113 A G T < 5S+ 0 0 49 -3,-1.9 -25,-0.5 1,-0.3 2,-0.2 0.445 74.3 144.2 87.5 0.1 11.8 50.8 64.3 115 114 A I E < -d 89 0A 2 -5,-2.4 -1,-0.3 -6,-0.2 -25,-0.2 -0.539 24.3-177.1 -74.9 136.5 9.1 48.6 62.9 116 115 A C E + 0 0 16 -27,-2.4 25,-1.8 1,-0.2 2,-0.3 0.503 59.2 14.1-112.8 -6.9 5.8 49.7 64.3 117 116 A A E -de 90 141A 0 -28,-0.6 -26,-2.0 23,-0.2 2,-0.4 -0.996 56.3-139.8-163.6 162.3 3.5 47.1 62.8 118 117 A L E -de 91 142A 0 23,-3.1 25,-3.2 -2,-0.3 2,-0.5 -0.982 4.7-167.6-126.5 138.9 3.1 43.8 61.0 119 118 A I E -d 92 0A 4 -28,-2.3 -26,-1.6 -2,-0.4 25,-0.1 -0.999 9.0-170.0-119.3 131.9 0.8 42.7 58.2 120 119 A V > - 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0 0 75 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.367 24.2-106.7 -64.8 146.8 -19.9 40.5 55.9 152 151 A K H 3> S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -2,-0.0 0.834 114.3 51.0 -38.7 -54.3 -20.9 43.1 58.6 153 152 A E H 3> S+ 0 0 156 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 109.9 50.1 -66.3 -28.0 -20.8 40.9 61.7 154 153 A R H <> S+ 0 0 54 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.881 105.1 58.0 -74.7 -35.8 -17.4 39.6 60.9 155 154 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.956 107.6 48.9 -49.3 -50.6 -16.2 43.2 60.4 156 155 A K H X S+ 0 0 107 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.913 110.4 48.2 -59.9 -52.8 -17.3 43.8 64.1 157 156 A K H < S+ 0 0 91 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.898 115.2 47.4 -50.6 -43.8 -15.6 40.8 65.5 158 157 A L H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.776 115.9 39.0 -76.0 -30.1 -12.4 41.7 63.7 159 158 A V H >< S+ 0 0 0 -4,-1.8 3,-1.8 -3,-0.3 -1,-0.2 0.661 88.6 89.8 -98.9 -15.1 -12.1 45.5 64.5 160 159 A K T 3< S+ 0 0 135 -4,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.872 107.4 19.8 -49.2 -49.1 -13.2 45.5 68.1 161 160 A H T 3 S+ 0 0 144 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.003 94.3 136.8-110.8 24.7 -9.7 44.9 69.4 162 161 A A < - 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