==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-12 4FYW . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.COCKRELL,E.R.KANTROWITZ . 908 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 618 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 1 3 2 4 2 2 2 0 1 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 5 4 2 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 4 0 8 2 1 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 2 2 2 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 A 0 0 96 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 169.4 37.4 46.3 -8.8 2 2 A N > - 0 0 7 304,-2.2 3,-1.8 303,-0.3 305,-0.0 -0.330 360.0-104.7 -68.1 157.8 36.0 43.4 -6.8 3 3 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.674 119.3 45.0 -59.5 -19.3 33.7 44.4 -3.9 4 4 A L T > S+ 0 0 0 302,-0.1 3,-2.3 298,-0.1 2,-0.1 0.388 77.9 134.9-106.5 3.0 36.4 43.7 -1.3 5 5 A Y T < S- 0 0 85 -3,-1.8 298,-0.2 1,-0.3 299,-0.2 -0.322 85.5 -5.9 -58.5 126.0 39.3 45.4 -3.1 6 6 A Q T 3 S+ 0 0 72 297,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.666 101.8 141.3 61.0 21.7 41.3 47.5 -0.6 7 7 A K < - 0 0 103 -3,-2.3 -1,-0.2 295,-0.1 2,-0.2 -0.708 54.6-118.6 -94.7 145.4 38.7 46.9 2.2 8 8 A H - 0 0 69 -2,-0.3 2,-0.6 115,-0.1 117,-0.2 -0.505 18.3-148.3 -69.1 144.8 39.5 46.3 5.8 9 9 A I B +a 125 0A 1 115,-2.8 117,-3.2 -2,-0.2 127,-0.1 -0.811 46.4 132.5-119.4 91.3 38.4 42.9 7.2 10 10 A I + 0 0 4 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.830 60.0 19.5-109.6 -47.2 37.5 43.6 10.8 11 11 A S > - 0 0 0 1,-0.1 3,-1.4 123,-0.1 -1,-0.3 -0.986 53.9-136.4-140.0 140.6 34.2 42.1 11.8 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.839 107.7 64.8 -61.8 -30.9 31.8 39.4 10.5 13 13 A N G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.704 97.7 54.7 -66.5 -17.7 29.0 41.9 11.2 14 14 A D G < S+ 0 0 84 -3,-1.4 2,-0.5 2,-0.1 -1,-0.3 0.419 94.7 85.1 -92.3 -0.8 30.4 44.2 8.5 15 15 A L < - 0 0 9 -3,-1.7 2,-0.1 -4,-0.2 -6,-0.0 -0.896 69.5-144.1-109.0 127.9 30.3 41.5 5.9 16 16 A S > - 0 0 52 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.314 30.9-105.3 -78.7 168.3 27.2 40.8 3.8 17 17 A R H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 124.8 54.7 -59.8 -36.0 26.1 37.3 2.7 18 18 A D H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 107.2 49.8 -64.6 -40.4 27.3 38.3 -0.8 19 19 A D H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.7 50.0 -59.8 -49.3 30.7 39.1 0.6 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.948 111.8 47.3 -53.7 -53.1 30.8 35.8 2.4 21 21 A N H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.823 110.2 53.9 -58.5 -35.8 29.9 33.9 -0.8 22 22 A L H X S+ 0 0 31 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.921 109.5 46.8 -67.1 -43.4 32.5 35.9 -2.7 23 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.948 114.6 47.5 -62.5 -46.7 35.3 34.9 -0.3 24 24 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.882 111.2 49.9 -63.2 -39.8 34.2 31.3 -0.3 25 25 A A H X S+ 0 0 47 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.902 111.8 48.6 -67.4 -39.0 34.0 31.2 -4.2 26 26 A T H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.903 109.3 53.9 -65.6 -37.1 37.4 32.7 -4.4 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.881 107.5 50.2 -63.7 -38.9 38.7 30.1 -1.9 28 28 A A H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.896 110.5 50.6 -66.3 -40.5 37.3 27.3 -4.0 29 29 A K H X S+ 0 0 85 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.895 111.8 45.0 -63.1 -45.6 39.0 28.7 -7.1 30 30 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.855 112.2 53.3 -70.4 -33.8 42.4 29.0 -5.5 31 31 A K H < S+ 0 0 74 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.939 115.4 40.0 -61.6 -46.8 42.1 25.6 -4.0 32 32 A A H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.832 133.6 20.2 -73.3 -36.2 41.3 24.1 -7.4 33 33 A N S < S- 0 0 112 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.735 81.5-144.9-139.0 92.6 43.9 26.2 -9.3 34 34 A P - 0 0 94 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.054 5.6-160.0 -51.8 148.2 46.8 27.8 -7.3 35 35 A Q > + 0 0 62 30,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.668 14.4 175.5-129.6 77.4 48.1 31.2 -8.3 36 36 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.503 78.0 42.1 -67.2 -7.0 51.6 31.3 -6.6 37 37 A E T > S+ 0 0 119 1,-0.1 3,-1.9 3,-0.1 29,-0.1 0.298 77.9 107.9-119.9 6.4 52.6 34.6 -8.1 38 38 A L T < S+ 0 0 36 -3,-1.7 29,-0.2 1,-0.3 28,-0.1 0.896 91.4 32.9 -51.8 -44.3 49.4 36.6 -7.6 39 39 A L T > S+ 0 0 1 27,-3.0 3,-1.9 -4,-0.3 -1,-0.3 -0.034 83.8 153.3-107.1 30.2 50.8 38.7 -4.8 40 40 A K T < S+ 0 0 107 -3,-1.9 28,-0.2 1,-0.3 3,-0.1 -0.361 70.2 18.5 -56.2 137.2 54.4 38.8 -6.1 41 41 A H T 3 S+ 0 0 157 26,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.482 94.6 123.6 74.5 4.7 56.2 42.0 -4.8 42 42 A K < - 0 0 70 -3,-1.9 27,-2.9 25,-0.1 2,-0.5 -0.769 49.5-152.0 -88.4 144.5 53.6 42.6 -2.0 43 43 A V E -b 69 0A 47 -2,-0.3 57,-3.1 25,-0.2 58,-0.8 -0.984 12.4-166.4-116.7 122.6 55.0 42.9 1.5 44 44 A I E -bc 70 101A 0 25,-2.7 27,-2.3 -2,-0.5 2,-0.5 -0.912 15.0-136.5-113.9 132.8 52.6 41.9 4.3 45 45 A A E -bc 71 102A 2 56,-2.5 58,-2.9 -2,-0.4 2,-0.8 -0.767 9.2-161.2 -85.1 127.5 53.0 42.6 8.0 46 46 A S E -bc 72 103A 0 25,-3.0 27,-2.0 -2,-0.5 2,-0.9 -0.870 17.5-177.8-107.6 95.0 52.2 39.7 10.2 47 47 A C E +bc 73 104A 2 56,-3.2 58,-2.2 -2,-0.8 2,-1.2 -0.774 12.5 175.8-107.2 93.1 51.7 41.5 13.6 48 48 A F E +bc 74 105A 0 25,-2.6 27,-2.7 -2,-0.9 58,-0.1 -0.635 10.1 164.3 -99.2 76.1 50.9 39.1 16.4 49 49 A F S S+ 0 0 7 56,-1.5 2,-0.5 -2,-1.2 57,-0.2 0.854 83.2 44.0 -56.8 -38.2 50.8 41.5 19.4 50 50 A E S S- 0 0 58 55,-1.3 -1,-0.1 -3,-0.2 26,-0.1 -0.963 106.4-118.4-103.2 128.6 49.1 38.5 21.1 51 51 A A + 0 0 37 24,-0.7 -2,-0.1 -2,-0.5 23,-0.1 -0.329 42.2 159.8 -68.6 146.7 50.9 35.3 20.2 52 52 A S > - 0 0 20 -4,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.408 14.0-175.0-167.4 84.8 49.1 32.6 18.3 53 53 A T H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.847 84.2 48.3 -53.4 -46.5 51.3 30.1 16.6 54 54 A R H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 115.9 42.9 -66.7 -42.5 48.6 28.1 14.8 55 55 A T H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.897 115.7 49.4 -69.9 -39.3 46.9 31.2 13.4 56 56 A R H X S+ 0 0 62 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.920 111.0 48.1 -66.3 -44.6 50.1 32.9 12.4 57 57 A L H X S+ 0 0 93 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.929 113.3 49.6 -60.7 -45.2 51.5 29.9 10.6 58 58 A S H X S+ 0 0 18 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.957 114.4 43.6 -58.1 -52.6 48.2 29.5 8.8 59 59 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.927 115.3 47.8 -61.0 -46.3 48.2 33.2 7.8 60 60 A E H X S+ 0 0 37 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.876 108.6 53.9 -66.5 -36.9 51.8 33.3 6.8 61 61 A T H X S+ 0 0 58 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.940 108.0 52.0 -59.7 -43.0 51.6 30.1 4.7 62 62 A S H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.884 107.2 52.2 -61.2 -40.5 48.7 31.7 2.8 63 63 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 3,-0.7 0.924 112.0 45.5 -59.4 -45.8 50.8 34.8 2.1 64 64 A H H ><5S+ 0 0 107 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.857 103.8 62.4 -67.8 -36.4 53.6 32.7 0.7 65 65 A R H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -30,-0.2 0.734 107.7 44.9 -63.4 -19.7 51.2 30.5 -1.4 66 66 A L T <<5S- 0 0 0 -4,-0.8 -27,-3.0 -3,-0.7 -1,-0.3 0.328 122.4-109.4-101.5 5.7 50.3 33.7 -3.2 67 67 A G T < 5 + 0 0 23 -3,-2.0 -26,-0.5 1,-0.2 -3,-0.2 0.537 68.5 144.0 82.6 7.5 54.0 34.7 -3.5 68 68 A A < - 0 0 3 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.2 -0.370 47.8-122.3 -75.1 157.3 53.9 37.7 -1.1 69 69 A S E -b 43 0A 70 -27,-2.9 -25,-2.7 -30,-0.3 2,-0.4 -0.670 26.5-145.8 -94.4 159.8 56.8 38.5 1.2 70 70 A V E +b 44 0A 35 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.983 21.6 172.7-135.5 131.0 56.3 38.6 5.0 71 71 A V E +b 45 0A 75 -27,-2.3 -25,-3.0 -2,-0.4 2,-0.3 -0.948 29.2 118.6-127.7 153.5 57.7 40.7 7.9 72 72 A G E -b 46 0A 52 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.991 39.4-127.8 178.3-170.0 56.4 40.5 11.4 73 73 A F E -b 47 0A 51 -27,-2.0 -25,-2.6 -2,-0.3 2,-0.4 -0.975 7.9-147.4-161.3 163.2 56.6 39.8 15.1 74 74 A S E -b 48 0A 50 -2,-0.3 2,-1.0 -27,-0.2 -25,-0.2 -0.989 18.9-135.3-142.5 132.1 55.0 37.9 17.9 75 75 A D + 0 0 20 -27,-2.7 2,-0.9 -2,-0.4 -24,-0.7 -0.744 28.2 165.7-101.4 95.4 54.8 39.0 21.5 76 76 A S S S- 0 0 94 -2,-1.0 2,-1.1 2,-0.2 -26,-0.1 -0.912 86.9 -40.2 -93.2 100.7 55.5 36.6 24.2 77 77 A A S S+ 0 0 103 -2,-0.9 2,-0.4 2,-0.0 -2,-0.1 -0.172 123.2 63.9 81.4 -39.5 55.9 39.0 27.1 78 78 A N + 0 0 108 -2,-1.1 2,-0.2 2,-0.0 -2,-0.2 -0.905 38.8 111.8-144.1 114.1 57.8 41.9 25.4 79 79 A T > - 0 0 38 -2,-0.4 5,-0.8 -4,-0.1 4,-0.1 -0.809 44.5-140.8-154.8 138.3 57.7 44.5 22.7 80 80 A S T 5S+ 0 0 80 -2,-0.2 6,-1.3 4,-0.1 2,-0.3 0.004 76.9 71.6 -91.6 31.0 57.6 48.2 23.5 81 81 A L T 5S+ 0 0 51 4,-0.2 3,-0.4 3,-0.1 7,-0.1 -0.982 92.3 19.6-139.8 155.5 55.0 49.2 20.8 82 82 A G T 5S+ 0 0 2 5,-0.6 6,-0.3 -2,-0.3 5,-0.1 0.350 139.5 15.3 72.0 -8.3 51.3 48.6 20.2 83 83 A K T 5S+ 0 0 90 3,-0.2 -1,-0.3 4,-0.2 -3,-0.1 0.185 116.1 49.5-148.6 -82.9 51.1 48.0 24.0 84 84 A K S - 0 0 34 1,-0.1 4,-2.1 -6,-0.1 -5,-0.6 -0.388 19.4-123.2 -65.3 150.9 50.3 53.7 21.4 88 88 A L H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.3 0.893 115.1 62.9 -56.4 -40.7 48.9 51.1 19.0 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.943 104.7 43.8 -48.2 -55.2 48.0 54.2 16.9 90 90 A D H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.1 54.1 -60.6 -44.2 51.7 55.2 16.6 91 91 A T H X S+ 0 0 1 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.936 113.3 42.8 -54.5 -48.8 52.8 51.6 15.8 92 92 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.918 109.0 57.6 -65.4 -43.7 50.2 51.4 13.0 93 93 A S H < S+ 0 0 46 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.886 115.1 39.4 -54.9 -38.7 51.1 54.9 11.7 94 94 A V H >< S+ 0 0 57 -4,-2.2 3,-2.1 -5,-0.2 4,-0.4 0.956 116.0 47.7 -73.3 -53.5 54.7 53.6 11.3 95 95 A I H >X S+ 0 0 17 -4,-3.1 3,-1.9 1,-0.3 4,-1.7 0.859 101.7 64.8 -62.5 -32.8 54.0 50.1 10.0 96 96 A S T 3< S+ 0 0 20 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.1 0.573 97.0 57.7 -71.6 -3.4 51.5 51.3 7.4 97 97 A T T <4 S+ 0 0 108 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.569 110.0 44.7 -91.4 -11.0 54.4 53.2 5.8 98 98 A Y T <4 S+ 0 0 160 -3,-1.9 -2,-0.2 -4,-0.4 2,-0.2 0.814 110.5 44.8 -94.0 -41.8 56.4 49.9 5.3 99 99 A V < - 0 0 6 -4,-1.7 -55,-0.2 1,-0.1 3,-0.1 -0.595 61.8-133.8-120.8 169.6 53.8 47.4 4.1 100 100 A D S S+ 0 0 63 -57,-3.1 2,-0.3 1,-0.3 -56,-0.2 0.622 92.9 6.2 -95.8 -18.9 51.0 46.7 1.7 101 101 A A E -c 44 0A 0 -58,-0.8 -56,-2.5 21,-0.2 2,-0.5 -0.973 64.1-138.5-159.7 154.5 48.7 45.1 4.2 102 102 A I E -cd 45 124A 0 21,-2.7 23,-3.4 -2,-0.3 2,-0.6 -0.969 9.4-171.0-121.1 121.0 48.5 44.4 7.9 103 103 A V E +cd 46 125A 0 -58,-2.9 -56,-3.2 -2,-0.5 2,-0.4 -0.957 25.0 179.6-103.0 121.3 47.4 41.2 9.5 104 104 A M E -cd 47 126A 1 21,-2.2 23,-3.2 -2,-0.6 24,-0.4 -0.976 27.1-171.3-134.0 139.6 47.1 41.7 13.2 105 105 A R E +c 48 0A 25 -58,-2.2 -56,-1.5 -2,-0.4 -55,-1.3 -0.981 21.5 172.1-120.5 138.1 46.1 39.8 16.4 106 106 A H E - d 0 129A 2 22,-2.5 24,-2.0 -2,-0.4 6,-0.1 -0.980 39.3-127.8-149.1 148.7 45.8 41.8 19.6 107 107 A P S S+ 0 0 33 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.691 87.1 75.3 -77.5 -18.3 44.6 41.1 23.2 108 108 A Q S > S- 0 0 27 22,-0.2 3,-1.5 23,-0.1 308,-0.2 -0.807 85.5-114.6-101.7 138.1 42.2 44.1 23.4 109 109 A E B 3 S+e 416 0B 10 306,-0.8 308,-2.8 -2,-0.4 334,-0.2 -0.373 100.6 26.1 -64.9 136.5 38.8 44.3 21.7 110 110 A G T 3> S+ 0 0 0 332,-0.3 4,-2.8 19,-0.3 -1,-0.2 0.323 82.2 124.3 95.1 -4.4 38.6 47.0 18.9 111 111 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 -2,-0.1 0.887 74.6 43.8 -59.3 -45.5 42.3 46.9 18.2 112 112 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 113.1 52.4 -68.6 -41.0 42.1 46.1 14.5 113 113 A R H > S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.911 109.4 49.7 -60.2 -43.0 39.3 48.7 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.5 0.902 104.8 59.8 -61.2 -39.7 41.5 51.3 15.7 115 115 A A H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 4,-1.0 0.894 96.1 60.9 -55.0 -40.8 44.3 50.3 13.4 116 116 A T H 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.752 96.6 60.3 -61.2 -23.6 42.2 51.2 10.3 117 117 A E T << S+ 0 0 77 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.642 116.7 31.2 -80.8 -11.0 42.0 54.8 11.6 118 118 A F T <4 S+ 0 0 57 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.390 99.2 81.1-122.1 1.1 45.8 55.1 11.4 119 119 A S S >< S- 0 0 1 -4,-1.0 3,-2.3 1,-0.3 -3,-0.1 0.457 72.6-159.1 -90.9 -0.1 46.7 52.8 8.5 120 120 A G T 3 S- 0 0 57 1,-0.3 -1,-0.3 -4,-0.2 -23,-0.0 -0.336 72.4 -14.1 56.6-127.3 45.9 55.2 5.7 121 121 A N T 3 S+ 0 0 152 -25,-0.1 -1,-0.3 -2,-0.1 -5,-0.0 0.396 111.2 109.4 -86.6 8.1 45.3 53.3 2.4 122 122 A V < - 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