==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-98 1NBE . COMPND 2 MOLECULE: ASPARTATE TRANSCARBAMOYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.WILLIAMS,B.STEC,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 651 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 80 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 4 1 1 5 1 3 0 1 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 6 2 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 . 3 0 4 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 4 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 97 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 152.2 37.6 46.6 -8.8 2 2 A N > - 0 0 20 304,-2.3 3,-1.3 303,-0.3 305,-0.0 -0.234 360.0-101.7 -60.5 159.9 36.2 43.7 -6.7 3 3 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.720 120.3 45.8 -61.2 -20.5 34.0 44.7 -3.7 4 4 A L T > S+ 0 0 0 302,-0.1 3,-2.7 298,-0.1 302,-0.0 0.462 75.5 138.5-102.9 -0.3 36.9 44.1 -1.2 5 5 A Y T < S- 0 0 80 -3,-1.3 298,-0.2 1,-0.3 299,-0.1 -0.210 87.8 -14.2 -50.2 116.7 39.6 45.8 -3.1 6 6 A Q T 3 S+ 0 0 74 297,-2.0 -1,-0.3 1,-0.2 2,-0.2 0.559 102.6 137.4 66.8 8.3 41.6 47.8 -0.5 7 7 A K < - 0 0 73 -3,-2.7 2,-0.3 116,-0.1 -1,-0.2 -0.558 57.6-113.2 -85.4 154.4 38.9 47.4 2.1 8 8 A H - 0 0 47 -2,-0.2 2,-0.8 115,-0.1 117,-0.2 -0.688 18.1-147.0 -87.2 137.0 39.7 46.6 5.7 9 9 A I B +a 125 0A 1 115,-1.5 117,-2.5 -2,-0.3 3,-0.1 -0.903 47.6 129.9-105.4 109.4 38.7 43.2 7.0 10 10 A I + 0 0 2 -2,-0.8 2,-0.3 1,-0.4 -1,-0.2 0.711 61.2 22.6-124.6 -52.6 37.9 43.7 10.7 11 11 A S - 0 0 0 123,-0.1 -1,-0.4 1,-0.1 3,-0.3 -0.854 60.7-132.4-122.7 158.6 34.5 42.2 11.8 12 12 A I S > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.789 107.6 62.9 -82.3 -19.9 32.3 39.6 10.4 13 13 A N T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -3,-0.0 158,-0.0 0.737 93.3 64.7 -74.5 -20.7 29.3 41.9 10.7 14 14 A D T 3 S+ 0 0 64 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.587 94.4 70.3 -74.9 -15.1 31.0 44.2 8.3 15 15 A L S < S- 0 0 2 -3,-1.2 2,-0.2 -4,-0.2 -6,-0.0 -0.878 75.0-145.3-105.9 144.0 30.8 41.6 5.5 16 16 A S >> - 0 0 53 -2,-0.4 4,-2.0 1,-0.1 3,-1.7 -0.539 35.1 -93.3 -99.2 172.9 27.5 40.7 3.9 17 17 A R H 3> S+ 0 0 86 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.828 128.0 52.3 -52.4 -36.9 26.2 37.4 2.6 18 18 A D H 3> S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.726 107.5 51.5 -75.3 -22.9 27.5 38.4 -0.8 19 19 A D H <> S+ 0 0 21 -3,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.845 109.1 49.6 -81.1 -34.6 31.0 39.2 0.5 20 20 A L H X S+ 0 0 0 -4,-2.0 4,-3.6 1,-0.2 5,-0.2 0.966 110.9 50.3 -67.2 -48.7 31.3 35.9 2.2 21 21 A N H X S+ 0 0 51 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.798 109.7 51.0 -60.6 -31.8 30.3 34.1 -1.0 22 22 A L H X S+ 0 0 39 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.943 112.1 45.9 -69.2 -51.8 32.8 36.1 -3.0 23 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.973 116.4 46.2 -56.2 -49.9 35.5 35.2 -0.6 24 24 A L H X S+ 0 0 1 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.928 109.4 54.2 -59.3 -44.6 34.3 31.6 -0.7 25 25 A A H X S+ 0 0 41 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.943 113.2 43.1 -54.3 -48.7 34.1 31.6 -4.5 26 26 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.937 110.7 53.3 -62.3 -53.2 37.7 32.7 -4.7 27 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.941 109.1 50.3 -47.2 -49.5 39.1 30.4 -2.1 28 28 A A H X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.908 114.1 45.4 -58.0 -42.7 37.6 27.5 -3.8 29 29 A K H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.670 111.8 49.6 -74.5 -27.3 39.2 28.8 -7.2 30 30 A L H < S+ 0 0 3 -4,-2.4 -1,-0.2 -3,-0.4 -2,-0.2 0.767 107.4 55.8 -82.2 -28.8 42.7 29.4 -5.7 31 31 A K H < S+ 0 0 82 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.1 0.963 113.2 43.7 -63.2 -44.7 42.6 26.0 -4.1 32 32 A A H < S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.900 129.7 17.8 -64.1 -55.7 42.0 24.6 -7.7 33 33 A N S < S- 0 0 102 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.1 -0.869 84.8-142.8-129.9 97.1 44.4 26.7 -9.7 34 34 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.188 8.6-158.6 -58.6 140.8 47.2 28.3 -7.6 35 35 A Q > + 0 0 86 30,-0.2 3,-1.5 -5,-0.1 4,-0.3 -0.660 16.1 175.2-125.5 74.5 48.5 31.8 -8.4 36 36 A P T 3 S+ 0 0 74 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.329 78.3 39.3 -60.8 -1.3 51.9 31.7 -6.7 37 37 A E T > S+ 0 0 120 30,-0.1 3,-1.9 3,-0.1 29,-0.1 0.298 76.8 109.1-134.1 8.6 53.0 35.1 -8.0 38 38 A L T < S+ 0 0 45 -3,-1.5 29,-0.2 1,-0.3 28,-0.1 0.830 92.0 35.6 -51.1 -40.3 49.8 37.1 -7.8 39 39 A L T > S+ 0 0 1 27,-3.8 3,-2.2 -4,-0.3 -1,-0.3 0.149 84.5 148.8-104.0 19.2 51.3 39.1 -4.8 40 40 A K T < + 0 0 99 -3,-1.9 28,-0.2 26,-0.3 3,-0.1 -0.241 68.4 20.4 -55.9 134.3 54.8 39.2 -6.1 41 41 A H T 3 S+ 0 0 155 26,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.287 95.6 118.0 86.5 -7.3 56.6 42.4 -5.0 42 42 A K < - 0 0 71 -3,-2.2 27,-2.0 58,-0.0 2,-0.4 -0.551 52.4-150.6 -86.1 155.7 54.2 43.1 -2.2 43 43 A V E -b 69 0A 48 25,-0.2 57,-2.5 -2,-0.2 58,-0.7 -1.000 13.4-162.7-128.3 123.7 55.6 43.2 1.4 44 44 A I E -bc 70 101A 0 25,-1.8 27,-2.4 -2,-0.4 2,-0.5 -0.908 13.4-133.2-115.7 140.2 53.2 42.2 4.2 45 45 A A E -bc 71 102A 2 56,-2.1 58,-2.8 -2,-0.4 2,-0.9 -0.759 9.2-162.7 -92.2 126.3 53.5 42.9 7.9 46 46 A S E +bc 72 103A 0 25,-2.4 27,-1.6 -2,-0.5 2,-1.3 -0.773 16.0 178.3-105.0 82.3 52.8 40.0 10.3 47 47 A C E +bc 73 104A 1 56,-2.6 58,-2.4 -2,-0.9 2,-1.6 -0.672 8.6 174.9 -91.9 85.6 52.2 41.8 13.6 48 48 A F E +bc 74 105A 0 25,-2.7 27,-1.0 -2,-1.3 58,-0.1 -0.660 6.0 168.3 -87.7 78.8 51.4 39.2 16.2 49 49 A F S S+ 0 0 11 -2,-1.6 27,-1.1 56,-1.6 2,-0.4 0.687 80.6 41.3 -58.9 -23.9 51.2 41.6 19.1 50 50 A E S S- 0 0 69 55,-0.5 -1,-0.2 -3,-0.2 55,-0.0 -0.999 107.2-113.9-123.0 120.1 49.7 38.5 20.9 51 51 A A + 0 0 52 -2,-0.4 2,-0.1 23,-0.1 -2,-0.1 -0.205 44.9 157.9 -59.6 149.1 51.5 35.3 20.0 52 52 A S > - 0 0 4 -4,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.468 17.1-176.7-174.3 95.1 49.7 32.6 18.0 53 53 A T H > S+ 0 0 78 2,-0.2 4,-3.6 3,-0.2 5,-0.5 0.927 85.6 54.5 -62.5 -51.6 51.7 30.0 16.0 54 54 A R H > S+ 0 0 146 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 120.1 34.4 -45.6 -59.7 48.6 28.2 14.4 55 55 A T H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.817 120.8 46.8 -68.4 -38.6 47.4 31.6 13.1 56 56 A R H X S+ 0 0 60 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.965 114.1 48.0 -69.8 -50.2 50.7 33.2 12.3 57 57 A L H X S+ 0 0 89 -4,-3.6 4,-1.6 -5,-0.3 -2,-0.2 0.868 114.0 48.9 -55.7 -39.8 52.0 30.1 10.6 58 58 A S H X S+ 0 0 20 -4,-1.8 4,-2.4 -5,-0.5 3,-0.2 0.974 111.9 45.9 -67.0 -54.1 48.8 29.9 8.6 59 59 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.939 113.1 50.3 -52.6 -49.2 48.7 33.5 7.5 60 60 A Q H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.807 108.1 51.4 -61.5 -36.9 52.4 33.5 6.5 61 61 A T H X S+ 0 0 52 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.3 0.897 107.8 54.8 -67.0 -37.0 52.1 30.3 4.5 62 62 A S H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.879 109.5 47.3 -60.9 -38.4 49.2 32.1 2.8 63 63 A M H ><>S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 5,-1.3 0.945 110.5 51.0 -70.0 -44.8 51.5 35.0 2.0 64 64 A H H 3<5S+ 0 0 115 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.717 104.5 56.6 -66.9 -20.5 54.3 32.7 0.7 65 65 A R T 3<5S+ 0 0 153 -4,-1.6 -1,-0.3 1,-0.2 -27,-0.2 0.471 107.6 49.5 -89.6 -0.7 52.0 30.9 -1.7 66 66 A L T < 5S- 0 0 0 -3,-1.5 -27,-3.8 -4,-0.2 -26,-0.3 0.307 119.0-105.5-116.0 5.5 51.0 34.1 -3.4 67 67 A G T 5S+ 0 0 27 -3,-0.4 -26,-0.6 -4,-0.3 -3,-0.2 0.252 73.5 138.5 89.9 -8.8 54.5 35.4 -3.9 68 68 A A < - 0 0 3 -5,-1.3 -1,-0.3 -28,-0.2 2,-0.2 -0.210 47.0-131.1 -70.6 155.4 54.4 38.1 -1.2 69 69 A S E -b 43 0A 59 -27,-2.0 -25,-1.8 -30,-0.3 2,-0.4 -0.553 20.6-146.6 -98.3 172.1 57.2 38.8 1.2 70 70 A V E +b 44 0A 37 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -1.000 21.9 170.5-148.8 136.9 56.7 39.1 4.9 71 71 A V E +b 45 0A 76 -27,-2.4 -25,-2.4 -2,-0.4 2,-0.3 -0.854 33.2 107.9-130.6 161.7 58.2 41.1 7.7 72 72 A G E -b 46 0A 48 -2,-0.3 2,-0.2 -27,-0.3 -25,-0.2 -0.867 44.7-121.1 154.9-177.8 56.7 41.1 11.2 73 73 A F E -b 47 0A 58 -27,-1.6 -25,-2.7 -2,-0.3 2,-0.3 -0.837 11.1-141.1-149.8 176.3 57.0 40.0 14.7 74 74 A S E +b 48 0A 54 1,-0.3 3,-0.3 -2,-0.2 -25,-0.2 -0.988 61.4 23.7-148.2 155.9 55.4 38.0 17.6 75 75 A D - 0 0 100 -27,-1.0 2,-1.3 -2,-0.3 -1,-0.3 0.854 63.5-132.6 55.8 109.8 54.8 38.1 21.4 76 76 A S + 0 0 26 -27,-1.1 -1,-0.2 1,-0.2 -27,-0.1 -0.374 44.0 159.9 -87.0 58.3 55.0 41.7 22.7 77 77 A A S S- 0 0 74 -2,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.908 83.2 -32.1 -44.1 -58.0 57.2 40.6 25.6 78 78 A N S S- 0 0 86 -3,-0.3 6,-0.7 3,-0.0 5,-0.2 0.568 72.8-178.3-131.5 -40.3 58.5 44.1 26.2 79 79 A T >> - 0 0 37 1,-0.2 5,-1.9 -4,-0.2 4,-1.8 0.812 23.6-150.4 18.7 86.2 58.5 45.7 22.8 80 80 A S T 45S+ 0 0 87 3,-0.2 2,-0.5 4,-0.2 6,-0.3 0.585 90.4 80.8 -50.6 -6.6 59.9 48.9 24.0 81 81 A L T 45S- 0 0 62 3,-0.1 2,-1.5 4,-0.1 7,-0.1 -0.909 116.4 -15.8-103.8 115.6 57.7 49.5 21.0 82 82 A G T 45S+ 0 0 28 -2,-0.5 6,-0.2 1,-0.2 -2,-0.1 -0.197 140.5 52.8 86.8 -55.4 53.9 49.6 21.8 83 83 A K T <5S+ 0 0 129 -4,-1.8 -3,-0.2 -2,-1.5 -1,-0.2 0.934 104.4 48.5 -75.1 -56.8 54.4 48.0 25.2 84 84 A K S > - 0 0 42 -2,-0.2 4,-1.6 1,-0.1 3,-1.0 -0.743 15.6-120.5 -79.8 134.0 50.8 54.0 21.5 88 88 A L H 3> S+ 0 0 5 -2,-0.4 4,-2.7 1,-0.3 5,-0.3 0.847 113.4 62.6 -36.1 -48.0 49.5 51.5 18.9 89 89 A A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.932 106.0 43.9 -46.8 -51.8 48.3 54.4 16.8 90 90 A D H <> S+ 0 0 86 -3,-1.0 4,-1.0 1,-0.2 -1,-0.3 0.837 111.0 55.4 -65.0 -34.4 51.9 55.6 16.4 91 91 A T H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.910 111.8 41.9 -67.5 -42.8 53.1 52.0 15.7 92 92 A I H X S+ 0 0 1 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.984 108.7 60.4 -66.5 -53.7 50.7 51.5 12.8 93 93 A S H < S+ 0 0 43 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.700 112.4 39.4 -42.6 -33.4 51.4 55.1 11.6 94 94 A V H >< S+ 0 0 63 -4,-1.0 3,-2.1 -3,-0.2 -1,-0.2 0.916 115.5 49.5 -86.4 -48.3 55.0 54.1 11.2 95 95 A I H >X S+ 0 0 20 -4,-2.5 3,-2.7 1,-0.3 4,-1.7 0.871 99.6 66.4 -58.6 -36.3 54.5 50.6 9.9 96 96 A S T 3< S+ 0 0 21 -4,-3.5 -1,-0.3 1,-0.3 26,-0.2 0.571 94.7 60.6 -63.5 -8.0 52.0 51.8 7.2 97 97 A T T <4 S+ 0 0 107 -3,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.387 110.6 39.8 -95.5 -1.5 54.9 53.6 5.6 98 98 A Y T <4 S+ 0 0 159 -3,-2.7 -2,-0.2 -4,-0.1 -3,-0.1 0.758 112.1 40.8-107.7 -58.1 56.8 50.3 5.0 99 99 A V < - 0 0 7 -4,-1.7 -55,-0.2 1,-0.1 3,-0.1 -0.315 64.0-133.4 -92.4 178.6 54.4 47.6 4.0 100 100 A D S S+ 0 0 56 -57,-2.5 2,-0.3 1,-0.3 -56,-0.2 0.557 88.8 13.1-106.9 -18.6 51.3 47.3 1.7 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.1 21,-0.2 2,-0.4 -0.985 65.8-142.1-155.2 156.6 49.1 45.5 4.0 102 102 A I E -cd 45 124A 1 21,-2.7 23,-3.2 -2,-0.3 2,-0.5 -0.976 8.6-172.9-131.6 125.1 49.0 44.6 7.7 103 103 A V E +cd 46 125A 0 -58,-2.8 -56,-2.6 -2,-0.4 2,-0.3 -0.923 26.1 173.4-106.1 135.4 47.8 41.4 9.4 104 104 A M E -cd 47 126A 1 21,-2.1 23,-2.8 -2,-0.5 2,-0.4 -0.998 28.4-160.7-149.6 151.7 47.7 41.8 13.1 105 105 A R E +c 48 0A 18 -58,-2.4 -56,-1.6 -2,-0.3 -55,-0.5 -0.995 21.0 177.4-128.2 132.0 46.6 40.1 16.3 106 106 A H E - d 0 129A 19 22,-2.8 24,-2.2 -2,-0.4 -56,-0.1 -0.970 35.8-131.9-138.0 154.1 46.2 42.1 19.5 107 107 A P S S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.648 87.1 74.5 -77.2 -18.0 45.0 41.3 23.1 108 108 A Q S > S- 0 0 60 22,-0.2 3,-1.5 317,-0.1 4,-0.3 -0.827 85.0-115.9-105.8 139.7 42.6 44.2 23.2 109 109 A E B 3 S+f 425 0B 8 315,-0.9 317,-2.2 -2,-0.4 343,-0.3 -0.311 100.2 25.6 -63.2 147.7 39.2 44.5 21.5 110 110 A G T 3> S+ 0 0 0 341,-0.5 4,-2.7 19,-0.3 -1,-0.2 0.458 83.8 119.8 78.1 0.1 39.1 47.3 18.9 111 111 A A H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.978 76.4 45.6 -60.6 -58.0 42.8 47.2 18.2 112 112 A A H > S+ 0 0 0 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.887 114.1 52.2 -53.6 -37.5 42.5 46.3 14.5 113 113 A R H > S+ 0 0 52 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.955 109.3 46.7 -64.6 -52.7 39.7 49.0 14.2 114 114 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 4,-0.4 0.915 108.0 58.3 -55.0 -44.4 41.8 51.7 15.7 115 115 A A H >X S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.3 4,-0.7 0.847 96.1 62.9 -51.8 -45.3 44.7 50.7 13.4 116 116 A T H >< S+ 0 0 31 -4,-1.5 3,-0.9 -3,-0.4 -1,-0.3 0.882 98.1 57.5 -46.9 -42.8 42.5 51.3 10.5 117 117 A E T << S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.576 111.9 39.1 -69.0 -12.6 42.3 55.0 11.6 118 118 A F T <4 S+ 0 0 58 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.333 97.8 76.9-120.3 10.6 46.1 55.4 11.4 119 119 A S S X< S- 0 0 4 -3,-0.9 3,-1.9 -4,-0.7 -2,-0.1 0.328 70.3-158.7-102.5 4.7 47.1 53.4 8.3 120 120 A G T 3 S- 0 0 65 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.0 -0.274 77.6 -10.7 54.2-118.4 46.0 55.7 5.5 121 121 A N T 3 S+ 0 0 125 -25,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.815 106.2 112.1 -85.6 -20.9 45.6 53.5 2.5 122 122 A V < - 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