==== 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 09-SEP-99 1D09 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.JIN,B.STEC,W.N.LIPSCOMB,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 9.9 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 . 2 0.2 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 . 84 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 21.4 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+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 1 2 1 4 2 2 0 2 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 6 6 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 . 1 1 5 2 5 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 . 1 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 84 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 92.8 37.8 46.7 -8.9 2 2 A N > - 0 0 16 304,-2.0 3,-1.9 303,-0.3 305,-0.0 -0.250 360.0 -95.9 -57.0 156.5 36.0 43.9 -7.1 3 3 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.849 121.9 42.5 -48.3 -43.9 33.8 44.7 -4.1 4 4 A L T > S+ 0 0 3 15,-0.1 3,-2.4 2,-0.1 -2,-0.0 0.523 80.0 134.7 -85.0 -4.1 36.5 43.9 -1.5 5 5 A Y T < S- 0 0 72 -3,-1.9 298,-0.2 1,-0.3 299,-0.2 -0.124 84.4 -7.0 -47.4 138.0 39.5 45.5 -3.2 6 6 A Q T 3 S+ 0 0 77 297,-3.5 -1,-0.3 296,-0.2 2,-0.2 0.672 103.8 141.1 48.2 19.9 41.7 47.6 -0.9 7 7 A K < - 0 0 108 -3,-2.4 2,-0.4 295,-0.1 -1,-0.2 -0.557 56.5-118.1 -90.3 152.7 39.0 47.0 1.8 8 8 A H - 0 0 58 -2,-0.2 2,-0.8 115,-0.1 3,-0.2 -0.749 16.4-152.6 -86.8 134.9 39.8 46.4 5.4 9 9 A I B +a 125 0A 1 115,-0.9 117,-2.6 -2,-0.4 127,-0.2 -0.757 45.2 134.5-110.7 77.5 38.6 42.9 6.7 10 10 A I + 0 0 2 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.832 65.2 9.9 -94.5 -43.0 38.1 43.7 10.5 11 11 A S > - 0 0 1 -3,-0.2 3,-2.0 123,-0.1 -1,-0.3 -0.998 58.0-130.1-144.3 145.6 34.8 42.2 11.4 12 12 A I T 3 S+ 0 0 0 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.492 105.7 71.3 -65.3 -2.9 32.2 39.8 9.9 13 13 A N T 3 S+ 0 0 76 1,-0.2 -1,-0.3 3,-0.0 158,-0.0 0.465 94.0 52.8 -93.1 -2.7 29.6 42.4 10.9 14 14 A D S < S+ 0 0 83 -3,-2.0 2,-0.2 2,-0.0 -1,-0.2 0.322 101.4 75.0-107.7 -7.8 30.9 44.8 8.1 15 15 A L - 0 0 12 -3,-0.3 2,-0.3 -4,-0.2 3,-0.0 -0.722 68.2-144.7-102.8 166.7 30.6 42.2 5.4 16 16 A S >> - 0 0 47 -2,-0.2 4,-2.3 1,-0.1 3,-0.9 -0.905 34.4 -97.2-133.8 160.3 27.6 40.7 3.6 17 17 A R H 3> S+ 0 0 82 -2,-0.3 4,-2.8 1,-0.3 5,-0.3 0.844 126.5 52.3 -39.9 -41.1 26.4 37.4 2.1 18 18 A D H 3> S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.917 108.3 48.5 -66.1 -44.7 27.6 38.7 -1.2 19 19 A D H <> S+ 0 0 29 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.920 115.0 46.5 -59.2 -45.3 31.1 39.6 0.1 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.808 111.2 49.4 -65.6 -44.9 31.3 36.2 1.7 21 21 A N H X S+ 0 0 58 -4,-2.8 4,-2.0 -5,-0.3 5,-0.3 0.858 107.9 58.4 -65.6 -26.3 30.1 34.3 -1.4 22 22 A L H X S+ 0 0 33 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.981 107.6 45.2 -65.9 -48.3 32.7 36.4 -3.2 23 23 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.939 112.1 49.3 -60.9 -47.1 35.5 35.0 -1.1 24 24 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.876 109.7 50.6 -67.1 -34.4 34.4 31.3 -1.2 25 25 A A H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.891 113.3 46.7 -67.8 -34.8 34.1 31.2 -5.0 26 26 A T H X S+ 0 0 1 -4,-1.8 4,-3.6 -5,-0.3 5,-0.3 0.965 108.5 55.8 -70.7 -39.3 37.5 32.7 -5.3 27 27 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.933 110.5 46.5 -53.9 -48.1 38.7 30.3 -2.7 28 28 A A H X S+ 0 0 49 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.862 112.6 46.5 -61.1 -46.6 37.4 27.6 -5.0 29 29 A K H X S+ 0 0 82 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.888 112.5 52.1 -68.0 -36.6 38.9 28.9 -8.2 30 30 A L H < S+ 0 0 4 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 106.3 53.0 -67.2 -35.9 42.2 29.4 -6.5 31 31 A K H < S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.857 114.8 42.0 -63.9 -39.9 42.2 25.8 -5.2 32 32 A A H < S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 130.2 22.2 -78.5 -37.8 41.7 24.5 -8.7 33 33 A N S < S- 0 0 77 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 -0.604 79.7-151.9-142.2 90.9 44.0 26.8 -10.5 34 34 A P - 0 0 88 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.032 4.9-148.9 -54.6 148.2 46.8 28.5 -8.5 35 35 A Q > - 0 0 44 1,-0.1 3,-2.9 30,-0.1 4,-0.2 -0.638 12.4-174.9-127.0 76.2 48.2 31.8 -9.4 36 36 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.469 86.0 32.7 -46.5 -13.2 52.0 31.9 -8.3 37 37 A E T > S+ 0 0 117 1,-0.1 3,-2.4 3,-0.1 29,-0.1 0.347 77.8 117.3-131.8 11.6 52.6 35.5 -9.2 38 38 A L T < S+ 0 0 23 -3,-2.9 29,-0.2 1,-0.3 28,-0.1 0.662 91.7 30.8 -55.8 -11.5 49.2 36.9 -8.5 39 39 A L T > S+ 0 0 1 27,-2.9 3,-2.2 -4,-0.2 -1,-0.3 0.022 83.8 163.0-138.7 32.1 50.9 39.1 -5.9 40 40 A K T < + 0 0 96 -3,-2.4 28,-0.2 1,-0.3 3,-0.1 -0.240 69.3 10.0 -55.7 128.8 54.3 39.5 -7.4 41 41 A H T 3 S+ 0 0 163 26,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.372 91.8 126.8 81.6 -5.3 56.1 42.4 -5.8 42 42 A K < - 0 0 65 -3,-2.2 27,-1.9 21,-0.1 2,-0.4 -0.510 45.6-154.8 -79.5 149.0 53.7 43.1 -2.9 43 43 A V E -b 69 0A 46 25,-0.2 57,-3.2 -2,-0.1 58,-0.7 -0.985 12.5-165.6-126.1 120.1 55.3 43.1 0.6 44 44 A I E -bc 70 101A 0 25,-2.1 27,-2.3 -2,-0.4 2,-0.4 -0.903 15.6-135.9-112.8 132.9 52.9 42.2 3.5 45 45 A A E -bc 71 102A 3 56,-2.9 58,-2.2 -2,-0.4 2,-0.6 -0.788 11.6-163.1 -86.8 132.4 53.5 42.7 7.3 46 46 A S E +bc 72 103A 0 25,-2.2 27,-2.0 -2,-0.4 2,-0.7 -0.966 17.3 179.3-113.0 104.9 52.4 39.7 9.4 47 47 A C E +bc 73 104A 1 56,-2.8 58,-2.0 -2,-0.6 2,-0.6 -0.789 6.1 176.2-116.0 95.8 52.2 41.2 12.9 48 48 A F E + c 0 105A 2 25,-2.1 58,-0.2 -2,-0.7 4,-0.1 -0.805 14.5 169.6-104.8 121.8 51.2 38.9 15.6 49 49 A F S S+ 0 0 19 56,-3.0 2,-0.3 -2,-0.6 57,-0.2 0.247 75.2 47.4-104.1 2.8 51.1 40.2 19.2 50 50 A E S S- 0 0 30 55,-0.2 55,-0.1 56,-0.1 2,-0.0 -0.870 104.4 -80.9-131.6 166.8 49.3 37.1 20.5 51 51 A A + 0 0 80 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.282 49.3 166.3 -75.3 167.4 50.3 33.4 19.7 52 52 A S + 0 0 29 22,-0.1 -4,-0.0 1,-0.1 53,-0.0 -0.966 27.9 172.4-177.7 139.8 49.5 31.5 16.6 53 53 A T S > S+ 0 0 92 -2,-0.3 4,-1.2 3,-0.1 5,-0.2 0.655 92.1 24.8-116.0 -50.4 50.4 28.3 14.7 54 54 A R H >>S+ 0 0 82 3,-0.2 4,-2.4 2,-0.2 5,-0.6 0.854 119.6 52.0 -84.7 -47.2 47.7 28.2 11.9 55 55 A T H >5S+ 0 0 5 3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.994 119.1 35.6 -55.7 -62.8 46.7 31.7 11.5 56 56 A R H >5S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.898 122.9 42.9 -55.6 -55.3 50.2 33.0 11.1 57 57 A L H X5S+ 0 0 83 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.896 116.0 45.7 -61.0 -45.4 51.6 30.1 9.2 58 58 A S H X5S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.966 114.4 53.4 -66.2 -36.3 48.7 29.5 6.7 59 59 A F H X<>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 3,-0.6 0.945 118.5 42.5 -51.4 -46.5 51.3 35.2 0.7 64 64 A H H ><5S+ 0 0 107 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.854 105.4 60.2 -67.7 -44.6 54.2 33.0 -0.6 65 65 A R H 3<5S+ 0 0 155 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.733 111.3 44.7 -58.0 -20.0 52.0 30.7 -2.6 66 66 A L T <<5S- 0 0 0 -4,-1.2 -27,-2.9 -3,-0.6 -1,-0.3 0.368 120.9-105.3-107.0 5.8 51.0 33.9 -4.4 67 67 A G T < 5S+ 0 0 27 -3,-1.7 -26,-0.6 1,-0.3 -3,-0.2 0.227 75.1 131.5 93.0 -8.8 54.4 35.4 -4.9 68 68 A A < - 0 0 5 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.2 -0.070 51.7-124.4 -70.6 171.5 54.3 38.1 -2.3 69 69 A S E -b 43 0A 58 -27,-1.9 -25,-2.1 -30,-0.2 2,-0.4 -0.719 19.8-138.1-114.3 167.7 57.0 38.7 0.2 70 70 A V E +b 44 0A 41 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.983 21.4 169.8-138.0 135.6 56.6 38.9 4.1 71 71 A V E +b 45 0A 70 -27,-2.3 -25,-2.2 -2,-0.4 2,-0.3 -0.922 34.6 87.0-130.9 147.0 58.0 41.0 6.9 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.998 55.9 -89.3 169.4-155.7 56.8 40.9 10.5 73 73 A F E -b 47 0A 44 -27,-2.0 -25,-2.1 -2,-0.3 3,-0.1 -0.972 1.7-157.0-151.5 163.2 57.0 39.5 14.0 74 74 A S S S+ 0 0 69 1,-0.4 2,-0.3 -2,-0.3 -22,-0.1 0.266 89.4 32.7-123.0 3.4 55.4 36.7 16.1 75 75 A D > - 0 0 98 -24,-0.1 3,-0.7 -26,-0.1 -1,-0.4 -0.917 65.2-147.4-158.3 129.2 56.1 38.3 19.4 76 76 A S G > S+ 0 0 23 -2,-0.3 3,-1.5 1,-0.2 6,-0.5 0.408 75.9 99.9 -83.6 12.9 56.1 42.0 20.3 77 77 A A G 3 S+ 0 0 33 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.725 89.6 36.6 -68.9 -27.1 58.8 41.5 23.0 78 78 A N G < S+ 0 0 144 -3,-0.7 -1,-0.3 4,-0.1 2,-0.2 0.120 97.6 100.3-111.1 18.3 61.5 42.6 20.8 79 79 A T S X> S- 0 0 25 -3,-1.5 4,-2.3 1,-0.1 3,-0.5 -0.669 86.1-113.0 -96.7 159.9 59.6 45.3 19.0 80 80 A S H 3> S+ 0 0 48 1,-0.3 4,-2.1 -2,-0.2 6,-1.1 0.790 122.2 59.3 -62.0 -25.7 60.0 49.0 20.0 81 81 A L H 34 S+ 0 0 39 4,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.877 110.4 42.0 -68.8 -42.0 56.5 48.7 21.1 82 82 A G H <4 S+ 0 0 40 -3,-0.5 -2,-0.2 -6,-0.5 -1,-0.2 0.846 129.5 21.5 -80.4 -30.8 57.6 45.9 23.5 83 83 A K H < S+ 0 0 140 -4,-2.3 -3,-0.2 -7,-0.1 -2,-0.2 0.527 128.5 40.3-112.8 -12.3 60.9 47.3 24.9 84 84 A K S < S- 0 0 161 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.281 104.7-109.1-121.3 10.9 60.6 51.1 24.3 85 85 A G + 0 0 68 -4,-0.5 -4,-0.2 1,-0.2 -3,-0.1 0.615 53.6 165.5 76.1 21.1 57.1 51.9 25.1 86 86 A E - 0 0 69 -6,-1.1 -1,-0.2 1,-0.1 2,-0.1 -0.290 35.4-117.5 -71.1 151.0 55.6 52.7 21.8 87 87 A T > - 0 0 42 1,-0.1 4,-2.1 -2,-0.1 -1,-0.1 -0.485 17.4-125.0 -81.8 157.3 51.9 53.0 21.2 88 88 A L H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.865 113.1 61.3 -68.7 -35.3 50.2 50.6 18.7 89 89 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 107.4 40.6 -58.2 -48.1 49.0 53.7 17.0 90 90 A D H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 112.4 58.5 -67.4 -39.4 52.5 54.9 16.2 91 91 A T H X S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.983 110.4 40.3 -52.4 -61.7 53.5 51.3 15.4 92 92 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.859 111.2 61.4 -58.5 -30.3 50.9 51.0 12.6 93 93 A S H < S+ 0 0 44 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.967 112.0 34.9 -63.8 -51.3 51.7 54.6 11.6 94 94 A V H >< S+ 0 0 63 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.934 117.9 53.3 -67.6 -43.5 55.3 53.7 10.8 95 95 A I H >X S+ 0 0 22 -4,-3.0 3,-2.1 1,-0.3 4,-1.0 0.912 98.6 62.4 -58.4 -45.1 54.5 50.2 9.5 96 96 A S T 3< S+ 0 0 19 -4,-2.3 -1,-0.3 1,-0.3 26,-0.2 0.481 94.2 66.2 -61.4 -3.3 51.9 51.4 7.0 97 97 A T T <4 S+ 0 0 100 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.130 106.5 38.1-100.3 17.7 54.7 53.3 5.3 98 98 A Y T <4 S+ 0 0 170 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.589 108.3 46.7-127.8 -37.6 56.5 50.1 4.2 99 99 A V < - 0 0 7 -4,-1.0 -1,-0.2 1,-0.1 -55,-0.2 -0.745 66.2-126.3-112.1 175.0 54.1 47.4 3.1 100 100 A D S S+ 0 0 61 -57,-3.2 2,-0.3 -2,-0.3 -56,-0.2 0.640 91.4 7.3 -96.6 -24.3 51.1 46.8 1.0 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.9 21,-0.2 2,-0.5 -0.980 59.4-140.9-157.1 155.5 49.0 45.2 3.8 102 102 A I E -cd 45 124A 0 21,-1.8 23,-2.8 -2,-0.3 2,-0.6 -0.988 10.7-171.2-122.1 119.2 49.0 44.5 7.5 103 103 A V E +cd 46 125A 0 -58,-2.2 -56,-2.8 -2,-0.5 2,-0.3 -0.984 25.0 177.9-105.9 120.7 47.7 41.2 8.8 104 104 A M E -cd 47 126A 3 21,-2.4 23,-2.6 -2,-0.6 2,-0.4 -0.906 28.8-167.4-136.0 150.4 47.6 41.4 12.6 105 105 A R E +c 48 0A 20 -58,-2.0 -56,-3.0 -2,-0.3 -55,-0.2 -0.992 21.8 178.8-126.3 137.2 46.6 39.5 15.7 106 106 A H E - d 0 129A 13 22,-1.9 24,-2.5 -2,-0.4 -56,-0.1 -0.974 37.5-129.8-144.0 149.9 46.4 41.3 19.0 107 107 A P S S+ 0 0 45 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.727 88.4 72.3 -69.5 -20.8 45.5 40.6 22.6 108 108 A Q S > S- 0 0 42 22,-0.2 3,-1.5 23,-0.1 4,-0.3 -0.794 86.7-111.6-104.1 142.9 43.1 43.5 23.0 109 109 A E B 3 S+e 425 0B 5 315,-1.1 317,-2.2 -2,-0.4 343,-0.2 -0.220 101.0 18.3 -64.7 138.2 39.6 43.9 21.4 110 110 A G T 3> S+ 0 0 0 341,-0.3 4,-2.9 19,-0.3 -1,-0.3 0.601 81.8 122.5 77.0 11.2 39.4 46.5 18.7 111 111 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 5,-0.1 0.881 76.6 51.0 -73.7 -37.1 43.0 46.7 18.1 112 112 A A H 4 S+ 0 0 2 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.931 111.0 49.7 -66.1 -34.5 42.4 45.8 14.4 113 113 A R H >> S+ 0 0 44 1,-0.2 3,-1.9 338,-0.2 4,-0.7 0.965 108.2 52.7 -63.7 -54.4 39.8 48.6 14.3 114 114 A L H >< S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.3 4,-0.4 0.929 103.0 57.8 -44.5 -54.9 42.2 51.1 15.8 115 115 A A T 3X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.3 3,-0.5 0.627 97.4 63.6 -54.8 -17.8 45.0 50.3 13.3 116 116 A T T <4 S+ 0 0 29 -3,-1.9 -1,-0.3 -4,-0.5 4,-0.2 0.798 94.6 58.2 -80.7 -22.2 42.6 51.2 10.5 117 117 A E T << S+ 0 0 68 -3,-2.2 -1,-0.2 -4,-0.7 -2,-0.2 0.519 118.2 31.8 -83.0 -1.7 42.4 54.7 11.7 118 118 A F T 4 S+ 0 0 57 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.442 95.9 82.3-130.8 -1.3 46.2 55.1 11.4 119 119 A S S >< S- 0 0 0 -4,-0.9 3,-1.8 1,-0.3 -2,-0.1 0.394 72.6-158.3 -86.5 3.6 47.2 52.8 8.4 120 120 A G T 3 S- 0 0 58 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.274 70.2 -10.9 59.7-127.2 46.4 55.4 5.8 121 121 A N T 3 S+ 0 0 141 -25,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.807 110.3 102.7 -76.0 -24.4 45.8 53.7 2.5 122 122 A V S < S- 0 0 7 -3,-1.8 -21,-0.2 -26,-0.2 -3,-0.1 -0.421 73.5-126.4 -67.7 123.1 47.2 50.2 3.6 123 123 A P - 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0 0 5 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.356 48.0-133.5 -82.9 164.4 59.2 42.5 82.2 534 69 C S E -a 508 0I 67 -27,-2.2 -25,-1.9 -30,-0.2 2,-0.3 -0.882 21.3-148.2-110.6 161.2 58.2 39.6 79.9 535 70 C V E +a 509 0I 37 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.935 19.6 173.1-134.6 144.2 58.1 40.3 76.2 536 71 C V E +a 510 0I 72 -27,-2.1 -25,-1.6 -2,-0.3 2,-0.3 -0.969 30.6 95.3-142.9 144.2 55.9 38.9 73.5 537 72 C G E -a 511 0I 53 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -1.000 57.7 -77.8 168.7-160.3 55.9 40.0 69.9 538 73 C F E -a 512 0I 39 -27,-1.1 -25,-1.8 -2,-0.3 3,-0.1 -0.995 7.8-164.5-140.9 137.5 57.1 39.7 66.2 539 74 C S S S+ 0 0 74 -2,-0.4 2,-0.3 1,-0.2 -22,-0.1 0.436 85.0 38.7 -97.1 1.2 60.2 40.7 64.4 540 75 C D > - 0 0 88 1,-0.1 3,-0.8 -24,-0.1 -1,-0.2 -0.945 63.7-148.6-149.5 134.3 58.6 40.4 60.9 541 76 C S G > S+ 0 0 33 -2,-0.3 3,-1.7 1,-0.2 6,-0.3 0.676 84.5 87.7 -79.0 -11.2 55.1 41.3 59.7 542 77 C A G 3 S+ 0 0 23 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.821 89.7 42.5 -58.8 -36.1 55.3 38.4 57.2 543 78 C N G < S+ 0 0 142 -3,-0.8 -1,-0.3 4,-0.1 2,-0.2 0.139 95.8 97.1-103.5 27.0 54.0 35.8 59.5 544 79 C T S <> S- 0 0 22 -3,-1.7 4,-2.2 1,-0.1 5,-0.3 -0.558 87.4-110.1 -98.9 170.7 51.2 37.9 61.1 545 80 C S H > S+ 0 0 46 2,-0.2 6,-1.6 1,-0.2 4,-1.4 0.667 123.3 56.5 -73.5 -20.2 47.6 37.9 60.1 546 81 C L H 4 S+ 0 0 39 4,-0.2 4,-0.3 3,-0.2 -1,-0.2 0.745 109.2 50.2 -79.4 -23.8 48.2 41.4 58.8 547 82 C G H 4 S+ 0 0 31 -6,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.925 129.7 11.4 -78.2 -48.0 50.9 39.8 56.7 548 83 C K H < S+ 0 0 139 -4,-2.2 -3,-0.2 -7,-0.1 -2,-0.2 0.577 129.2 48.1-110.3 -13.9 49.1 36.9 55.1 549 84 C K S < S- 0 0 165 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.482 101.9-113.6-107.8 -3.8 45.4 37.5 55.9 550 85 C G + 0 0 67 -4,-0.3 -4,-0.2 1,-0.2 -3,-0.1 0.658 52.7 165.9 87.0 15.5 44.9 41.1 54.9 551 86 C E - 0 0 65 -6,-1.6 -1,-0.2 1,-0.1 -2,-0.1 -0.361 36.0-117.8 -69.8 142.5 44.3 42.5 58.4 552 87 C T > - 0 0 43 1,-0.1 4,-1.1 -2,-0.1 -1,-0.1 -0.297 17.1-121.4 -70.0 166.8 44.4 46.3 58.8 553 88 C L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.747 112.8 62.4 -76.4 -34.0 47.0 47.8 61.1 554 89 C A H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.974 106.9 40.8 -56.5 -56.2 44.0 49.3 63.0 555 90 C D H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.769 111.0 58.6 -58.2 -34.3 42.6 45.9 64.0 556 91 C T H >X S+ 0 0 10 -4,-1.1 4,-1.9 2,-0.2 3,-0.6 0.977 110.6 41.9 -61.0 -54.2 46.1 44.5 64.7 557 92 C I H 3X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.864 109.6 60.7 -62.3 -31.2 46.7 47.2 67.3 558 93 C S H 3< S+ 0 0 41 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.842 111.4 35.7 -62.6 -40.4 43.1 46.8 68.7 559 94 C V H X< S+ 0 0 60 -4,-1.5 3,-2.2 -3,-0.6 4,-0.2 0.898 114.3 55.5 -84.8 -39.3 43.4 43.2 69.7 560 95 C I H >X S+ 0 0 25 -4,-1.9 3,-2.8 1,-0.3 4,-0.8 0.927 99.4 62.0 -63.7 -40.9 47.1 43.3 70.8 561 96 C S T 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.485 94.5 63.3 -65.4 -4.0 46.3 46.1 73.2 562 97 C T T <4 S+ 0 0 109 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.544 106.2 45.8 -94.6 3.5 43.9 43.7 75.0 563 98 C Y T <4 S+ 0 0 168 -3,-2.8 2,-0.3 -4,-0.2 -2,-0.2 0.671 109.6 35.7-111.1 -29.6 46.8 41.5 75.9 564 99 C V < - 0 0 10 -4,-0.8 -55,-0.2 1,-0.1 3,-0.1 -0.829 62.9-120.6-136.0 175.2 49.6 43.7 77.2 565 100 C D S S+ 0 0 64 -57,-2.6 2,-0.3 -2,-0.3 -56,-0.2 0.665 89.8 1.6 -90.8 -30.3 50.8 46.7 79.0 566 101 C A E -b 509 0I 0 -58,-0.6 -56,-2.0 21,-0.2 2,-0.4 -0.955 61.9-142.0-146.3 167.3 52.8 48.8 76.5 567 102 C I E -bc 510 589I 0 21,-1.2 23,-2.7 -2,-0.3 2,-0.5 -0.971 5.2-163.4-137.5 120.9 53.5 48.3 72.8 568 103 C V E +bc 511 590I 0 -58,-2.8 -56,-2.9 -2,-0.4 2,-0.4 -0.910 25.8 179.4-100.9 120.2 56.9 49.3 71.3 569 104 C M E -bc 512 591I 1 21,-2.5 23,-2.7 -2,-0.5 24,-0.4 -0.977 23.1-173.8-129.4 139.2 56.3 49.5 67.5 570 105 C R E +b 513 0I 21 -58,-1.8 -56,-3.5 -2,-0.4 -55,-0.3 -1.000 19.5 171.5-128.3 135.5 58.5 50.3 64.5 571 106 C H E - c 0 594I 20 22,-2.4 24,-2.2 -2,-0.4 -56,-0.1 -0.969 39.0-122.5-144.3 161.3 56.8 50.6 61.1 572 107 C P S S+ 0 0 40 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.537 85.7 75.1 -80.0 -13.3 57.6 51.7 57.5 573 108 C Q S > S- 0 0 48 22,-0.2 3,-2.1 23,-0.0 317,-0.2 -0.892 86.8-110.4-115.8 138.4 55.0 54.3 57.0 574 109 C E B 3 S+d 890 0J 7 315,-0.7 317,-2.1 -2,-0.5 343,-0.3 -0.239 104.2 21.4 -58.0 131.2 55.1 57.7 58.5 575 110 C G T 3> S+ 0 0 0 341,-0.3 4,-2.0 19,-0.3 -1,-0.3 0.438 77.5 126.6 91.3 -4.2 52.4 58.1 61.1 576 111 C A H <> S+ 0 0 0 -3,-2.1 4,-1.5 1,-0.2 -2,-0.1 0.902 77.4 48.7 -54.2 -36.1 52.0 54.3 61.9 577 112 C A H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 108.0 50.2 -71.1 -48.0 52.6 55.2 65.7 578 113 C R H >> S+ 0 0 42 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.954 111.0 51.6 -54.0 -48.7 50.1 58.1 66.0 579 114 C L H >X S+ 0 0 1 -4,-2.0 4,-1.1 1,-0.3 3,-0.8 0.893 101.1 62.6 -58.8 -40.1 47.4 55.8 64.4 580 115 C A H >X S+ 0 0 1 -4,-1.5 4,-0.8 -5,-0.3 3,-0.8 0.906 98.8 56.4 -53.4 -39.3 48.2 53.1 66.9 581 116 C T H << S+ 0 0 31 -4,-1.2 3,-0.5 -3,-0.8 4,-0.3 0.848 98.5 57.3 -64.0 -31.3 47.1 55.4 69.7 582 117 C E H << S+ 0 0 75 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.797 116.1 39.8 -73.2 -19.3 43.7 56.0 68.3 583 118 C F H << S+ 0 0 64 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.507 103.0 66.0-107.7 -0.4 43.3 52.2 68.5 584 119 C S S >< S- 0 0 3 -4,-0.8 3,-2.1 -3,-0.5 -1,-0.1 0.250 71.5-155.3-106.5 8.7 44.9 51.1 71.8 585 120 C G T 3 S- 0 0 60 -4,-0.3 -1,-0.2 1,-0.3 -23,-0.1 -0.205 76.9 -6.5 55.6-125.7 42.9 52.5 74.8 586 121 C N T 3 S+ 0 0 141 -25,-0.1 -1,-0.3 -2,-0.1 -5,-0.0 0.581 107.6 112.1 -79.0 -3.5 44.9 52.8 77.9 587 122 C V < - 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