==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-11 3R7D . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.E.PULEO,K.M.HARRIS,G.M.COCKRELL,E.R.KANTROWITZ . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 15.6 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 62 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 5 4 0 4 3 0 1 2 3 3 0 5 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 2 4 6 6 3 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 3 0 3 3 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 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 0 109 0, 0.0 2,-0.5 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 110.9 -34.0 39.1 -2.3 2 2 A K - 0 0 95 286,-0.9 288,-0.1 285,-0.2 287,-0.0 -0.955 360.0-152.5-123.9 114.7 -36.4 41.2 -0.3 3 3 A H - 0 0 35 -2,-0.5 2,-0.4 113,-0.1 115,-0.2 -0.240 5.9-145.1 -68.4 165.0 -37.0 40.6 3.4 4 4 A L B +a 118 0A 1 113,-2.6 115,-2.9 1,-0.1 125,-0.1 -0.917 40.6 139.7-133.0 111.6 -40.3 41.5 5.0 5 5 A T - 0 0 17 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.766 65.7 -3.1-115.3 -55.0 -39.8 42.7 8.6 6 6 A T > - 0 0 8 121,-0.1 3,-0.9 1,-0.1 -1,-0.4 -0.966 58.4-119.3-141.6 156.4 -42.0 45.7 9.4 7 7 A M G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.2 8,-0.1 0.861 110.2 63.4 -61.1 -36.3 -44.5 47.9 7.6 8 8 A S G 3 S+ 0 0 64 1,-0.3 -1,-0.2 -3,-0.0 156,-0.0 0.739 94.5 61.9 -66.0 -19.9 -42.4 51.0 8.2 9 9 A E G < S+ 0 0 140 -3,-0.9 2,-0.4 2,-0.1 -1,-0.3 0.480 93.8 80.2 -84.0 -3.5 -39.6 49.5 6.1 10 10 A L S < S- 0 0 6 -3,-2.1 2,-0.2 -4,-0.1 -6,-0.0 -0.844 78.4-129.2-104.5 143.6 -41.9 49.5 3.1 11 11 A S > - 0 0 50 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.517 28.7-111.7 -82.7 157.4 -42.7 52.5 0.9 12 12 A T H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.823 121.9 55.2 -60.0 -28.0 -46.3 53.4 0.2 13 13 A E H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 107.1 46.8 -69.9 -43.1 -45.5 52.4 -3.4 14 14 A E H > S+ 0 0 52 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.950 112.3 51.5 -62.0 -48.8 -44.2 48.9 -2.4 15 15 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.926 110.8 48.6 -49.5 -49.2 -47.3 48.4 -0.2 16 16 A K H X S+ 0 0 87 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.825 109.0 51.4 -68.2 -34.0 -49.5 49.3 -3.1 17 17 A D H X S+ 0 0 81 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.898 108.8 52.2 -67.1 -39.7 -47.7 47.0 -5.5 18 18 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 109.9 48.7 -61.2 -43.8 -48.1 44.1 -3.0 19 19 A L H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 113.1 47.4 -60.9 -45.7 -51.9 44.8 -2.7 20 20 A Q H X S+ 0 0 110 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.907 112.0 48.9 -64.5 -44.6 -52.2 44.9 -6.5 21 21 A T H X S+ 0 0 31 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.939 111.1 51.5 -59.5 -44.4 -50.2 41.7 -7.0 22 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.897 108.9 49.7 -60.1 -41.8 -52.4 40.0 -4.3 23 23 A Q H X S+ 0 0 68 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.917 111.0 50.7 -65.4 -40.6 -55.6 41.0 -6.0 24 24 A E H X>S+ 0 0 66 -4,-2.4 5,-1.7 2,-0.2 4,-0.5 0.927 111.2 46.8 -59.3 -47.5 -54.2 39.7 -9.3 25 25 A L H ><5S+ 0 0 7 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.882 110.9 53.8 -62.4 -36.5 -53.3 36.3 -7.7 26 26 A K H 3<5S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 101.3 59.2 -66.8 -33.5 -56.8 36.3 -6.1 27 27 A S H 3<5S- 0 0 96 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.597 131.5 -92.9 -70.0 -13.2 -58.3 36.8 -9.6 28 28 A G T <<5S+ 0 0 52 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.236 72.3 151.9 122.3 -12.0 -56.6 33.6 -10.6 29 29 A K < + 0 0 90 -5,-1.7 2,-0.3 1,-0.0 -1,-0.3 -0.276 19.4 167.7 -53.0 124.2 -53.3 34.7 -12.1 30 30 A T + 0 0 112 -2,-0.0 2,-0.3 31,-0.0 31,-0.1 -0.976 14.3 176.6-138.9 152.4 -50.7 31.9 -11.7 31 31 A D - 0 0 48 -2,-0.3 3,-0.3 30,-0.0 4,-0.0 -0.938 33.2-124.5-146.7 174.7 -47.2 31.1 -13.0 32 32 A N S > S+ 0 0 132 -2,-0.3 3,-0.8 1,-0.2 29,-0.0 0.174 71.5 112.2-108.8 18.1 -44.5 28.4 -12.5 33 33 A Q T 3 S+ 0 0 141 1,-0.2 -1,-0.2 3,-0.0 29,-0.1 0.760 87.1 36.6 -62.3 -28.0 -41.6 30.6 -11.5 34 34 A L T > S+ 0 0 9 27,-0.3 3,-2.2 -3,-0.3 -1,-0.2 0.439 83.5 133.4-106.6 -0.2 -41.4 29.3 -8.0 35 35 A T T < S+ 0 0 74 -3,-0.8 28,-0.2 1,-0.3 27,-0.1 -0.237 78.4 10.7 -53.4 129.5 -42.4 25.7 -8.7 36 36 A G T 3 S+ 0 0 38 26,-2.7 -1,-0.3 1,-0.3 27,-0.2 0.250 96.7 128.8 85.1 -15.3 -40.0 23.3 -6.9 37 37 A K < - 0 0 79 -3,-2.2 27,-3.4 25,-0.1 2,-0.5 -0.262 57.1-116.4 -68.9 163.9 -38.5 26.0 -4.8 38 38 A F E -b 64 0A 7 54,-0.3 56,-2.1 25,-0.2 57,-1.3 -0.895 26.2-176.8-112.6 131.6 -38.3 25.5 -1.0 39 39 A A E -bc 65 95A 0 25,-2.7 27,-2.5 -2,-0.5 2,-0.5 -0.962 12.4-153.3-117.6 141.2 -39.9 27.5 1.8 40 40 A A E -bc 66 96A 0 55,-2.2 57,-3.3 -2,-0.4 2,-0.8 -0.970 2.7-154.7-113.9 125.3 -39.3 26.8 5.5 41 41 A N E -bc 67 97A 0 25,-2.9 27,-2.5 -2,-0.5 2,-1.1 -0.866 12.2-173.4 -97.4 103.5 -41.9 27.7 8.0 42 42 A L E +bc 68 98A 1 55,-3.6 57,-2.3 -2,-0.8 2,-1.4 -0.714 9.4 171.9-101.0 83.1 -40.1 28.2 11.3 43 43 A F E +bc 69 99A 1 25,-1.9 27,-2.4 -2,-1.1 57,-0.1 -0.575 9.0 161.0 -93.4 72.4 -42.8 28.7 13.8 44 44 A F S S+ 0 0 19 -2,-1.4 56,-0.2 55,-0.9 -1,-0.2 0.923 79.4 43.8 -55.0 -46.8 -40.7 28.6 17.0 45 45 A E S S- 0 0 81 54,-2.2 -1,-0.1 -3,-0.3 2,-0.1 -0.911 108.9-116.1 -97.3 127.8 -43.7 30.4 18.7 46 46 A P + 0 0 64 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.366 44.8 157.7 -76.7 137.5 -46.8 28.6 17.5 47 47 A S > - 0 0 12 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.629 13.2-175.3-151.4 92.7 -49.6 30.1 15.4 48 48 A T H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 83.0 49.4 -56.1 -45.4 -51.6 27.5 13.5 49 49 A R H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 114.8 44.5 -65.7 -40.3 -53.8 29.9 11.5 50 50 A T H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 115.1 48.0 -69.3 -44.0 -50.8 32.0 10.3 51 51 A R H X S+ 0 0 15 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.930 111.4 50.9 -62.5 -45.4 -48.7 29.0 9.5 52 52 A F H X S+ 0 0 6 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.916 110.4 49.7 -57.2 -44.0 -51.6 27.4 7.6 53 53 A S H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.923 113.3 44.8 -64.8 -45.8 -52.1 30.6 5.6 54 54 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.878 113.2 52.6 -61.6 -38.6 -48.4 30.8 4.7 55 55 A E H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.931 108.2 48.9 -68.0 -44.7 -48.4 27.1 3.8 56 56 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.936 112.7 49.9 -56.1 -44.4 -51.4 27.4 1.5 57 57 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.930 111.2 47.8 -61.6 -46.6 -49.7 30.4 -0.2 58 58 A E H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.3 0.935 114.7 45.8 -60.6 -45.7 -46.4 28.5 -0.6 59 59 A K H ><5S+ 0 0 38 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.854 107.2 56.1 -70.8 -34.0 -48.1 25.4 -2.0 60 60 A K H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.1 54.0 -64.8 -25.2 -50.3 27.4 -4.4 61 61 A L T 3<5S- 0 0 8 -4,-1.3 -27,-0.3 -3,-0.3 -1,-0.3 0.453 122.6-112.9 -83.5 -0.7 -47.0 28.8 -5.7 62 62 A G T < 5 + 0 0 30 -3,-1.6 -26,-2.7 1,-0.2 -3,-0.2 0.672 65.6 150.3 78.1 19.5 -45.9 25.2 -6.3 63 63 A M < - 0 0 8 -5,-2.5 2,-0.3 -28,-0.2 -1,-0.2 -0.496 49.8-119.8 -85.3 151.6 -43.2 25.3 -3.6 64 64 A N E -b 38 0A 45 -27,-3.4 -25,-2.7 -2,-0.2 2,-0.4 -0.699 35.3-148.8 -78.6 144.4 -41.9 22.5 -1.4 65 65 A V E -b 39 0A 4 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.964 17.4-165.2-126.8 128.9 -42.4 23.2 2.2 66 66 A L E -b 40 0A 0 -27,-2.5 -25,-2.9 -2,-0.4 2,-0.4 -0.954 19.1-156.0-106.1 128.5 -40.5 22.3 5.4 67 67 A N E -b 41 0A 38 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.892 14.2-173.1-110.7 135.4 -42.4 22.8 8.6 68 68 A L E -b 42 0A 8 -27,-2.5 -25,-1.9 -2,-0.4 2,-0.7 -0.989 10.0-163.0-122.7 118.8 -41.0 23.3 12.1 69 69 A D E -b 43 0A 97 -2,-0.5 -25,-0.2 2,-0.2 2,-0.1 -0.906 52.0 -51.8-107.0 111.1 -43.6 23.4 14.8 70 70 A G S S+ 0 0 14 -27,-2.4 -25,-0.1 -2,-0.7 2,-0.1 -0.369 113.2 38.8 71.4-135.1 -42.5 24.9 18.1 71 71 A T - 0 0 91 -2,-0.1 2,-0.4 1,-0.1 -2,-0.2 -0.267 66.6-152.0 -57.2 123.3 -39.3 23.7 19.8 72 72 A S > - 0 0 4 1,-0.1 4,-2.0 -4,-0.1 5,-0.1 -0.835 12.3-140.8 -92.5 135.8 -36.4 23.0 17.4 73 73 A T H > S+ 0 0 13 -2,-0.4 4,-1.5 2,-0.2 -1,-0.1 0.860 103.1 55.3 -63.1 -37.2 -33.9 20.3 18.7 74 74 A S H 4>S+ 0 0 4 2,-0.2 5,-1.3 1,-0.2 3,-0.4 0.953 108.0 47.7 -59.1 -50.9 -31.0 22.4 17.3 75 75 A V H >45S+ 0 0 58 1,-0.3 3,-2.1 3,-0.2 -2,-0.2 0.887 107.8 55.6 -58.4 -42.8 -32.1 25.5 19.3 76 76 A Q H 3<5S+ 0 0 142 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.834 103.8 54.4 -58.7 -34.3 -32.5 23.3 22.4 77 77 A K T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.363 134.6 -96.0 -80.4 5.0 -28.9 22.3 21.9 78 78 A G T < 5 + 0 0 46 -3,-2.1 2,-0.3 1,-0.2 760,-0.3 0.803 64.4 166.4 89.0 34.2 -28.1 26.0 21.9 79 79 A E < - 0 0 14 -5,-1.3 -1,-0.2 -6,-0.1 2,-0.1 -0.643 34.7-123.6 -82.4 134.6 -28.1 26.9 18.1 80 80 A T > - 0 0 61 -2,-0.3 4,-2.4 756,-0.3 5,-0.1 -0.415 18.4-120.0 -72.1 152.6 -28.2 30.6 17.3 81 81 A L H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 116.2 57.5 -60.3 -38.2 -31.0 31.7 15.0 82 82 A Y H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 106.6 47.6 -57.1 -45.4 -28.3 32.9 12.6 83 83 A D H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.923 108.8 55.1 -63.3 -42.6 -26.9 29.4 12.4 84 84 A T H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 111.1 44.2 -52.6 -48.4 -30.4 28.0 11.9 85 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 112.9 49.9 -68.0 -41.6 -30.9 30.2 8.9 86 86 A R H X S+ 0 0 36 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 109.2 53.7 -64.1 -38.2 -27.5 29.6 7.4 87 87 A T H X S+ 0 0 9 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.953 108.1 50.1 -56.4 -51.2 -28.2 25.8 7.8 88 88 A L H <>S+ 0 0 5 -4,-2.3 5,-2.9 1,-0.2 4,-0.4 0.883 109.7 50.3 -56.2 -44.4 -31.4 26.3 5.9 89 89 A E H ><5S+ 0 0 31 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.912 109.4 52.5 -57.1 -45.6 -29.5 28.1 3.1 90 90 A S H 3<5S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 107.5 49.8 -61.5 -40.9 -27.0 25.3 3.0 91 91 A I T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.503 127.0 -99.8 -81.0 -1.0 -29.6 22.6 2.6 92 92 A G T < 5 + 0 0 22 -3,-1.1 -54,-0.3 -4,-0.4 2,-0.3 0.648 64.2 157.3 98.8 17.4 -31.2 24.7 -0.2 93 93 A V < - 0 0 3 -5,-2.9 -1,-0.3 -6,-0.2 -54,-0.2 -0.580 24.8-162.0 -70.8 135.8 -34.1 26.5 1.3 94 94 A D + 0 0 47 -56,-2.1 2,-0.3 1,-0.3 -55,-0.2 0.729 68.1 12.7 -94.1 -26.1 -35.0 29.6 -0.7 95 95 A V E -c 39 0A 0 -57,-1.3 -55,-2.2 20,-0.1 2,-0.4 -0.988 64.1-147.3-153.2 144.0 -37.1 31.6 1.7 96 96 A C E -cd 40 117A 0 20,-2.2 22,-2.9 -2,-0.3 2,-0.5 -0.950 0.1-159.0-118.2 133.6 -37.8 31.4 5.5 97 97 A V E -cd 41 118A 0 -57,-3.3 -55,-3.6 -2,-0.4 2,-0.4 -0.951 23.8-167.3-108.1 122.6 -41.0 32.3 7.3 98 98 A I E +cd 42 119A 0 20,-2.5 22,-3.4 -2,-0.5 23,-0.6 -0.945 27.1 177.0-125.0 129.7 -40.2 33.0 11.0 99 99 A R E +cd 43 121A 68 -57,-2.3 -54,-2.2 -2,-0.4 -55,-0.9 -0.971 29.0 165.4-123.8 114.2 -42.3 33.4 14.1 100 100 A H - 0 0 29 21,-2.3 5,-0.2 -2,-0.5 -2,-0.0 -0.952 44.5-131.5-140.0 145.5 -39.9 33.9 17.1 101 101 A S S S+ 0 0 71 -2,-0.3 2,-0.3 21,-0.1 21,-0.1 0.635 75.4 102.2 -75.0 -15.2 -40.1 35.1 20.7 102 102 A E S > S- 0 0 98 1,-0.1 21,-1.9 21,-0.1 3,-1.7 -0.538 81.2-108.8 -81.4 133.5 -37.2 37.4 20.5 103 103 A D T 3 S- 0 0 102 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.350 97.4 -15.1 -57.6 126.8 -37.7 41.2 20.2 104 104 A E T >> S+ 0 0 90 1,-0.1 3,-1.5 -2,-0.1 4,-0.5 0.838 79.5 167.7 43.2 43.1 -36.8 42.3 16.7 105 105 A Y H <> S+ 0 0 4 -3,-1.7 4,-1.1 1,-0.3 3,-0.4 0.859 71.1 62.1 -48.9 -34.0 -34.9 39.0 16.1 106 106 A Y H 3> S+ 0 0 9 -4,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.770 81.9 77.3 -67.0 -30.5 -34.9 40.1 12.5 107 107 A E H <> S+ 0 0 117 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.891 103.9 34.2 -54.4 -50.2 -32.8 43.3 12.9 108 108 A E H >X S+ 0 0 126 -4,-0.5 3,-0.9 -3,-0.4 4,-0.8 0.949 117.3 56.7 -65.8 -50.3 -29.5 41.5 13.2 109 109 A L H >X S+ 0 0 4 -4,-1.1 4,-2.6 1,-0.2 3,-1.3 0.850 95.5 61.3 -48.5 -50.5 -30.4 38.7 10.8 110 110 A V H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.804 107.8 44.2 -60.1 -30.3 -31.3 40.8 7.8 111 111 A S H << S+ 0 0 103 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.702 120.0 44.0 -79.9 -18.8 -27.8 42.2 7.5 112 112 A Q H << S+ 0 0 63 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.793 99.9 68.4 -97.3 -36.4 -26.2 38.7 8.1 113 113 A V < - 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