==== 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 HYDROLASE/HYDROLASE REGULATOR 23-JUN-04 1TU0 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.STIEGLITZ,B.STEC,D.P.BAKER,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.2 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 . 5 0.5 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 . 1 0.1 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 . 79 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 1 3 1 1 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 3 4 6 1 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 0 3 2 7 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 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 0 122 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 96.8 37.1 46.8 -9.0 2 2 A N > - 0 0 11 304,-3.1 3,-1.7 303,-0.2 305,-0.0 -0.145 360.0-108.8 -52.1 149.7 36.3 43.7 -6.8 3 3 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.593 116.6 39.8 -60.9 -11.6 34.0 44.6 -3.9 4 4 A L T > S+ 0 0 1 298,-0.2 3,-1.9 301,-0.1 2,-0.2 0.273 76.0 133.8-125.1 9.7 36.9 44.1 -1.4 5 5 A Y T < S- 0 0 84 -3,-1.7 298,-0.2 1,-0.3 299,-0.2 -0.464 89.8 -2.4 -58.9 125.3 39.8 45.6 -3.2 6 6 A Q T 3 S+ 0 0 76 297,-3.8 -1,-0.3 1,-0.2 2,-0.2 0.511 104.0 137.2 73.3 3.8 41.6 47.9 -0.7 7 7 A K < - 0 0 105 -3,-1.9 -1,-0.2 295,-0.1 2,-0.2 -0.545 52.6-122.3 -84.1 151.6 39.0 47.1 1.9 8 8 A H - 0 0 56 -2,-0.2 2,-0.5 115,-0.1 117,-0.2 -0.581 11.1-147.3 -88.0 149.2 39.8 46.3 5.6 9 9 A I B +a 125 0A 2 115,-2.3 117,-3.6 -2,-0.2 127,-0.2 -0.696 46.2 130.9-123.6 82.2 38.8 43.0 7.3 10 10 A I + 0 0 4 -2,-0.5 2,-0.4 1,-0.3 119,-0.1 0.899 67.0 18.5 -96.1 -62.6 38.1 43.7 11.0 11 11 A S > - 0 0 0 1,-0.1 3,-1.7 123,-0.1 -1,-0.3 -0.895 62.0-131.3-120.1 149.0 34.7 42.2 11.9 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.811 107.8 65.2 -60.8 -29.2 32.6 39.6 10.3 13 13 A N G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.742 89.9 67.0 -69.9 -16.2 29.6 41.9 10.6 14 14 A D G < S+ 0 0 73 -3,-1.7 2,-0.5 2,-0.0 -1,-0.3 0.473 89.7 83.9 -74.9 -6.4 31.3 44.2 8.1 15 15 A L S < S- 0 0 8 -3,-2.0 -6,-0.0 -4,-0.2 -1,-0.0 -0.893 71.8-141.9-111.8 127.1 30.8 41.5 5.5 16 16 A S > - 0 0 45 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.205 32.5-106.0 -69.2 167.8 27.7 41.0 3.5 17 17 A R H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.765 126.3 49.7 -66.7 -26.4 26.4 37.6 2.6 18 18 A D H > S+ 0 0 119 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.922 105.2 54.0 -75.8 -46.9 27.6 38.3 -0.9 19 19 A D H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.893 111.5 49.2 -53.0 -40.0 31.1 39.4 0.3 20 20 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.996 112.4 43.4 -61.0 -65.7 31.1 36.0 2.0 21 21 A N H X S+ 0 0 57 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.825 112.2 58.3 -49.4 -36.6 30.1 34.0 -1.0 22 22 A L H X S+ 0 0 47 -4,-3.7 4,-2.4 2,-0.2 -1,-0.2 0.976 107.9 43.1 -56.5 -60.5 32.6 36.2 -3.0 23 23 A V H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.918 114.8 49.9 -50.3 -49.7 35.6 35.2 -0.8 24 24 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.905 108.1 52.4 -64.7 -40.2 34.6 31.6 -0.8 25 25 A A H X S+ 0 0 50 -4,-2.5 4,-2.4 -5,-0.3 3,-0.3 0.974 113.8 44.3 -56.5 -52.5 34.2 31.4 -4.5 26 26 A T H X S+ 0 0 5 -4,-2.4 4,-3.1 1,-0.3 5,-0.3 0.918 109.8 56.3 -51.7 -51.2 37.6 32.9 -4.9 27 27 A A H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 -1,-0.3 0.821 110.6 43.9 -53.0 -39.1 38.9 30.6 -2.2 28 28 A A H X S+ 0 0 41 -4,-2.2 4,-1.5 -3,-0.3 -1,-0.3 0.812 111.3 53.7 -84.2 -26.2 37.7 27.6 -4.2 29 29 A K H >X S+ 0 0 55 -4,-2.4 4,-2.8 -5,-0.2 3,-0.6 0.992 112.2 44.6 -62.0 -55.9 39.0 29.0 -7.5 30 30 A L H 3< S+ 0 0 2 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.749 106.3 60.1 -56.0 -35.1 42.5 29.4 -5.9 31 31 A K H 3< S+ 0 0 90 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.906 114.9 37.5 -61.1 -40.2 42.3 26.0 -4.4 32 32 A A H << S+ 0 0 66 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.1 0.973 127.6 28.8 -73.9 -57.7 41.9 24.6 -7.9 33 33 A N S < S- 0 0 86 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.785 80.3-149.6-117.5 86.3 44.2 26.9 -9.9 34 34 A P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.168 8.4-165.7 -50.3 136.8 47.1 28.2 -7.8 35 35 A Q > + 0 0 85 30,-0.2 3,-1.5 -5,-0.1 4,-0.3 -0.664 14.4 170.4-129.9 78.0 48.5 31.6 -8.8 36 36 A P T 3 S+ 0 0 69 0, 0.0 30,-0.2 0, 0.0 -1,-0.1 0.083 75.2 49.4 -85.9 20.8 51.8 31.9 -7.0 37 37 A E T > S+ 0 0 141 28,-0.1 3,-0.6 29,-0.1 30,-0.1 0.132 81.8 103.1-135.6 14.7 53.1 35.0 -8.6 38 38 A L T < S+ 0 0 44 -3,-1.5 29,-0.2 1,-0.2 28,-0.1 0.891 88.0 32.4 -65.8 -45.9 49.9 36.9 -8.0 39 39 A L T > S+ 0 0 0 27,-3.5 3,-1.8 -4,-0.3 30,-0.3 0.141 86.2 150.7-106.3 22.7 51.1 39.0 -5.0 40 40 A K T < + 0 0 103 -3,-0.6 28,-0.2 1,-0.3 3,-0.1 -0.248 67.8 16.7 -52.4 134.4 54.6 39.3 -6.3 41 41 A H T 3 S+ 0 0 161 26,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.259 97.0 117.7 78.3 -10.4 56.4 42.5 -5.2 42 42 A K < - 0 0 69 -3,-1.8 27,-1.8 57,-0.0 2,-0.5 -0.689 54.8-151.8 -78.4 143.8 53.8 43.1 -2.6 43 43 A V E -b 69 0A 48 -2,-0.3 57,-2.2 25,-0.2 58,-0.8 -0.978 9.9-160.5-119.8 120.1 55.3 43.1 1.0 44 44 A I E -bc 70 101A 0 25,-3.8 27,-2.2 -2,-0.5 2,-0.5 -0.814 10.4-141.1-108.4 137.7 53.0 42.1 3.8 45 45 A A E -bc 71 102A 0 56,-2.4 58,-2.7 -2,-0.4 2,-0.7 -0.840 8.0-163.8 -94.1 125.4 53.5 42.8 7.5 46 46 A S E -bc 72 103A 0 25,-2.7 27,-1.5 -2,-0.5 2,-1.0 -0.874 14.2-179.9-107.2 88.1 52.5 39.9 9.9 47 47 A C E +bc 73 104A 1 56,-2.6 58,-1.6 -2,-0.7 2,-1.0 -0.718 4.5 177.1 -98.3 85.5 52.3 41.7 13.2 48 48 A F E + c 0 105A 0 25,-3.1 27,-0.4 -2,-1.0 28,-0.3 -0.755 10.9 168.6 -91.4 104.3 51.3 39.2 15.9 49 49 A F S S+ 0 0 16 56,-2.8 2,-0.3 -2,-1.0 27,-0.2 0.582 74.8 45.3 -88.0 -8.0 51.3 41.0 19.2 50 50 A A S S- 0 0 24 55,-0.4 25,-0.2 25,-0.1 55,-0.1 -0.906 104.8 -88.2-124.9 153.7 49.6 37.9 20.7 51 51 A A + 0 0 81 -2,-0.3 2,-0.3 23,-0.1 -2,-0.1 -0.332 48.6 166.8 -63.7 146.7 50.6 34.3 20.2 52 52 A S + 0 0 21 1,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.959 19.3 177.2-154.1 146.8 49.2 32.4 17.2 53 53 A T S > S+ 0 0 87 -2,-0.3 4,-2.1 3,-0.1 5,-0.3 0.722 87.1 25.8-111.9 -68.0 50.0 29.0 15.6 54 54 A R H > S+ 0 0 81 2,-0.2 4,-3.2 3,-0.2 5,-0.5 0.936 125.0 49.0 -59.3 -55.1 47.5 28.4 12.8 55 55 A T H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.937 116.1 40.8 -61.0 -45.6 46.7 32.0 12.2 56 56 A R H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 123.1 38.6 -71.4 -40.9 50.3 33.2 12.0 57 57 A L H X S+ 0 0 88 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.938 116.2 49.8 -73.3 -47.1 51.6 30.3 10.0 58 58 A S H X S+ 0 0 14 -4,-3.2 4,-2.7 -5,-0.3 -3,-0.2 0.920 113.2 48.8 -57.5 -41.5 48.6 29.8 7.7 59 59 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.5 -1,-0.2 0.946 112.4 45.2 -63.2 -50.0 48.6 33.4 6.9 60 60 A E H X S+ 0 0 37 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.870 113.4 50.9 -66.8 -32.4 52.3 33.7 6.1 61 61 A T H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.941 109.2 50.1 -65.6 -46.7 52.1 30.5 4.0 62 62 A S H X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.3 6,-0.2 0.918 108.0 56.9 -52.7 -43.1 49.2 32.0 2.2 63 63 A M H ><>S+ 0 0 0 -4,-2.8 5,-1.5 1,-0.2 3,-0.6 0.876 112.1 38.6 -58.7 -39.7 51.5 35.0 1.7 64 64 A H H ><5S+ 0 0 109 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.783 103.4 69.3 -84.2 -22.8 54.2 32.9 0.1 65 65 A R H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -30,-0.2 0.583 108.1 40.3 -69.5 -10.1 51.7 30.7 -1.9 66 66 A L T <<5S- 0 0 0 -3,-0.6 -27,-3.5 -4,-0.6 -1,-0.3 -0.007 122.8-101.5-123.9 16.3 51.0 33.9 -3.9 67 67 A G T < 5S+ 0 0 25 -3,-1.8 -26,-0.5 1,-0.2 -3,-0.2 0.360 72.9 143.0 80.1 -7.9 54.5 35.3 -4.2 68 68 A A < - 0 0 3 -5,-1.5 2,-0.4 -6,-0.2 -1,-0.2 -0.120 46.4-125.3 -65.4 166.2 54.2 37.9 -1.5 69 69 A S E -b 43 0A 67 -27,-1.8 -25,-3.8 -30,-0.3 2,-0.4 -0.885 21.4-144.3-110.0 140.9 57.0 38.8 0.9 70 70 A V E +b 44 0A 36 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.930 24.6 161.1-116.9 139.7 56.6 38.8 4.7 71 71 A V E +b 45 0A 79 -27,-2.2 -25,-2.7 -2,-0.4 2,-0.3 -0.875 31.0 92.9-135.4 157.7 58.0 41.0 7.4 72 72 A G E -b 46 0A 47 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.3 -0.972 52.5-101.0 153.3-162.0 56.6 41.2 11.0 73 73 A F E -b 47 0A 68 -27,-1.5 -25,-3.1 -2,-0.3 2,-0.3 -0.956 11.1-147.8-152.7 167.4 56.9 39.9 14.6 74 74 A S S S+ 0 0 60 -2,-0.3 -25,-0.2 1,-0.2 -23,-0.1 -0.970 75.2 23.9-139.7 152.9 55.4 37.6 17.2 75 75 A D - 0 0 112 -27,-0.4 3,-0.3 -2,-0.3 -1,-0.2 0.989 55.3-178.4 51.1 73.8 55.2 37.9 21.0 76 76 A S + 0 0 12 -28,-0.3 7,-0.5 -27,-0.2 8,-0.3 -0.227 16.3 165.2 -89.5 42.0 55.5 41.6 21.3 77 77 A A S S- 0 0 59 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.640 79.1 -44.2 -26.9 -52.6 55.3 40.8 25.0 78 78 A N S S+ 0 0 65 -3,-0.3 6,-1.8 5,-0.1 5,-0.3 0.267 93.8 138.5-143.9 -46.7 56.6 44.3 25.6 79 79 A T S >S- 0 0 79 1,-0.2 5,-1.0 -4,-0.2 4,-0.3 0.413 75.6 -43.8 6.0-172.5 59.5 45.2 23.2 80 80 A S T 5S+ 0 0 83 3,-0.1 6,-0.6 2,-0.1 2,-0.4 0.392 117.7 34.5 -57.3 -27.9 59.7 48.5 21.6 81 81 A L B 5S+e 86 0B 45 4,-0.1 2,-0.9 9,-0.0 3,-0.3 -0.979 108.7 10.0-143.8 145.5 56.2 49.4 20.4 82 82 A G T 5S+ 0 0 20 4,-1.8 6,-0.2 -2,-0.4 -2,-0.1 -0.722 127.1 29.1 95.2 -87.3 52.8 48.6 21.7 83 83 A K T 5S+ 0 0 133 -2,-0.9 -1,-0.2 -7,-0.5 -5,-0.1 0.980 119.1 57.2 -79.9 -50.8 53.0 47.1 25.2 84 84 A K S - 0 0 39 -2,-0.2 4,-2.0 -6,-0.1 3,-0.1 -0.412 17.8-121.9 -68.9 146.3 51.1 53.6 21.3 88 88 A L H > S+ 0 0 2 -6,-0.2 4,-3.0 1,-0.2 5,-0.2 0.905 112.0 61.8 -53.6 -41.7 49.7 51.1 18.8 89 89 A A H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.920 105.7 42.4 -44.4 -61.3 48.7 54.1 16.7 90 90 A D H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.826 111.6 57.8 -60.0 -38.3 52.2 55.3 16.2 91 91 A T H >X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 3,-0.8 0.979 113.2 37.8 -53.2 -58.9 53.3 51.7 15.6 92 92 A I H 3X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 5,-0.3 0.942 107.0 65.5 -60.7 -50.6 50.9 51.4 12.7 93 93 A S H 3< S+ 0 0 47 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.740 114.1 33.7 -43.5 -34.7 51.5 54.9 11.5 94 94 A V H X< S+ 0 0 49 -4,-1.5 3,-1.4 -3,-0.8 -1,-0.3 0.747 113.7 56.0 -93.4 -33.4 55.1 53.8 10.8 95 95 A I H >X S+ 0 0 25 -4,-2.7 4,-1.8 1,-0.3 3,-1.3 0.870 103.0 58.2 -71.1 -23.1 54.5 50.2 9.7 96 96 A S T 3< S+ 0 0 19 -4,-3.1 -1,-0.3 1,-0.3 26,-0.2 0.522 96.9 60.8 -80.2 -4.0 52.1 51.4 7.1 97 97 A T T <4 S+ 0 0 102 -3,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.455 110.9 45.0 -92.9 0.5 54.9 53.5 5.6 98 98 A Y T <4 S+ 0 0 161 -3,-1.3 -2,-0.2 -4,-0.3 2,-0.2 0.778 110.5 34.7-106.9 -51.6 56.6 50.2 5.1 99 99 A V < - 0 0 6 -4,-1.8 -55,-0.2 1,-0.1 23,-0.1 -0.599 62.6-127.3-116.9 175.5 54.2 47.6 3.7 100 100 A D S S+ 0 0 59 -57,-2.2 2,-0.3 1,-0.2 -56,-0.2 0.692 93.1 12.4 -90.5 -28.3 51.3 47.1 1.3 101 101 A A E -c 44 0A 0 -58,-0.8 -56,-2.4 21,-0.2 2,-0.5 -0.999 66.2-140.1-150.0 151.6 49.0 45.3 3.8 102 102 A I E -cd 45 124A 1 21,-3.4 23,-2.4 -2,-0.3 2,-0.4 -0.958 9.8-172.6-121.4 132.8 48.9 44.6 7.5 103 103 A V E +cd 46 125A 0 -58,-2.7 -56,-2.6 -2,-0.5 2,-0.4 -0.954 21.2 176.5-109.3 126.0 47.9 41.5 9.3 104 104 A M E -cd 47 126A 1 21,-2.2 23,-2.2 -2,-0.4 2,-0.4 -0.978 28.2-166.4-146.6 141.9 47.6 41.7 13.1 105 105 A R E +c 48 0A 34 -58,-1.6 -56,-2.8 -2,-0.4 -55,-0.4 -0.953 24.2 175.1-113.7 137.7 46.7 39.8 16.2 106 106 A H E - d 0 129A 18 22,-2.8 24,-2.4 -2,-0.4 5,-0.2 -0.997 36.5-137.5-150.6 139.0 46.2 41.8 19.3 107 107 A P S S+ 0 0 64 0, 0.0 2,-0.2 0, 0.0 24,-0.2 0.710 82.5 83.4 -73.2 -21.3 45.1 41.0 22.9 108 108 A Q S > S- 0 0 53 22,-0.2 3,-1.1 1,-0.1 2,-0.2 -0.593 88.8-108.4 -84.2 147.5 43.0 44.2 23.2 109 109 A E B 3 S+f 425 0C 14 315,-1.9 317,-2.4 1,-0.2 343,-0.3 -0.562 100.9 9.9 -68.8 134.3 39.4 44.3 21.9 110 110 A G T 3> S+ 0 0 0 19,-0.5 4,-1.5 341,-0.3 -1,-0.2 0.703 79.5 134.1 69.8 27.7 39.2 46.5 18.7 111 111 A A H <> S+ 0 0 0 -3,-1.1 4,-2.0 -5,-0.2 -2,-0.1 0.900 73.3 52.4 -71.6 -35.5 42.9 46.9 18.1 112 112 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.772 107.0 51.0 -67.5 -38.6 42.5 46.2 14.4 113 113 A R H > S+ 0 0 51 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.879 109.1 51.9 -68.0 -41.9 39.7 48.7 14.0 114 114 A L H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-0.4 0.954 104.0 57.2 -55.8 -51.3 41.9 51.3 15.6 115 115 A A H >X S+ 0 0 0 -4,-2.0 3,-3.6 1,-0.3 4,-1.3 0.880 94.2 67.8 -42.8 -53.7 44.7 50.5 13.2 116 116 A T H 3< S+ 0 0 37 -4,-1.5 3,-0.4 1,-0.3 4,-0.4 0.800 96.7 55.1 -31.0 -49.3 42.3 51.3 10.3 117 117 A E T << S+ 0 0 70 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.636 116.7 33.1 -69.2 -17.0 42.5 54.9 11.5 118 118 A F T <4 S+ 0 0 61 -3,-3.6 -2,-0.2 -4,-0.4 -1,-0.2 0.471 98.3 76.1-122.2 0.5 46.3 55.1 11.3 119 119 A S S >< S- 0 0 1 -4,-1.3 3,-1.9 -3,-0.4 2,-0.7 0.527 76.5-163.0 -83.7 -8.6 47.2 52.8 8.3 120 120 A G T 3 S- 0 0 61 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.0 -0.443 73.0 -7.2 60.1-105.6 46.0 55.5 6.0 121 121 A N T 3 S+ 0 0 125 -2,-0.7 -1,-0.3 -25,-0.1 -2,-0.1 0.827 112.0 100.7 -89.8 -27.7 45.6 53.7 2.7 122 122 A V S < S- 0 0 9 -3,-1.9 -21,-0.2 -26,-0.2 -3,-0.1 -0.295 72.4-125.4 -68.8 127.7 47.1 50.3 3.8 123 123 A P - 0 0 1 0, 0.0 -21,-3.4 0, 0.0 2,-0.4 -0.391 17.3-150.2 -75.4 146.7 44.5 47.7 4.6 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-2.3 -2,-0.1 2,-0.4 -0.893 4.4-153.4-111.8 149.2 44.5 45.9 7.9 125 125 A L E -ad 9 103A 1 -23,-2.4 -21,-2.2 -2,-0.4 2,-0.7 -0.984 18.4-124.2-122.2 136.4 43.3 42.3 8.4 126 126 A N E + d 0 104A 1 -117,-3.6 10,-0.8 -2,-0.4 -21,-0.2 -0.725 31.7 168.6 -88.9 118.1 41.9 41.0 11.7 127 127 A A E S- 0 0 0 -23,-2.2 -22,-0.2 -2,-0.7 -1,-0.1 0.102 77.6 -38.2-103.3 7.8 43.7 37.9 13.0 128 128 A G E - 0 0 1 -24,-0.3 -22,-2.8 -118,-0.1 2,-1.0 0.288 52.5-160.0 130.2 103.0 42.1 38.1 16.4 129 129 A D E > - d 0 106A 1 4,-1.9 3,-1.6 -24,-0.2 -19,-0.5 -0.635 59.3 -75.7-108.3 83.1 41.4 41.3 18.4 130 130 A G T 3 S- 0 0 17 -24,-2.4 -22,-0.2 -2,-1.0 -1,-0.1 -0.503 99.9 -27.5 66.7-144.8 41.1 40.1 22.0 131 131 A S T 3 S+ 0 0 54 -24,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.191 127.4 79.0 -89.6 9.2 37.7 38.4 22.6 132 132 A N S < S+ 0 0 22 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.965 89.9 2.4 -84.8 -85.7 36.0 40.4 19.9 133 133 A Q + 0 0 7 -4,-0.3 -4,-1.9 -122,-0.1 -1,-0.2 -0.792 34.8 167.5-120.7 158.0 36.5 39.3 16.3 134 134 A H > + 0 0 8 -2,-0.3 4,-1.5 -6,-0.2 3,-0.2 -0.499 13.8 165.0-161.8 75.7 38.2 36.7 14.2 135 135 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.954 72.6 54.4 -65.5 -53.7 36.9 36.9 10.6 136 136 A T H > S+ 0 0 1 -10,-0.8 4,-1.2 1,-0.2 -9,-0.1 0.682 107.8 52.8 -61.8 -17.9 39.5 34.8 8.7 137 137 A Q H > S+ 0 0 14 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.957 111.9 44.5 -73.6 -50.8 38.8 31.9 11.1 138 138 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.3 -2,-0.2 0.796 109.3 56.7 -61.0 -33.7 35.1 32.1 10.4 139 139 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.910 108.5 46.4 -65.3 -40.2 35.8 32.4 6.7 140 140 A L H X S+ 0 0 2 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.681 110.8 55.8 -79.9 -8.3 37.7 29.2 6.8 141 141 A D H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.1 -2,-0.2 0.941 109.6 43.7 -77.2 -50.8 34.8 27.8 8.8 142 142 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.920 112.1 51.8 -58.8 -52.6 32.2 28.6 6.2 143 143 A F H X S+ 0 0 4 -4,-2.2 4,-4.1 1,-0.2 5,-0.2 0.943 113.4 45.2 -50.0 -56.6 34.2 27.4 3.2 144 144 A T H X S+ 0 0 0 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.893 111.1 53.3 -54.5 -47.4 34.9 24.1 4.9 145 145 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 6,-0.4 0.890 117.3 38.0 -57.6 -38.4 31.2 23.8 5.9 146 146 A Q H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.892 110.3 59.2 -80.8 -40.1 30.2 24.4 2.3 147 147 A E H < S+ 0 0 75 -4,-4.1 -2,-0.2 -5,-0.3 -3,-0.2 0.860 115.1 38.1 -55.7 -33.6 33.0 22.3 0.8 148 148 A T H < S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.621 131.0 24.2 -97.0 -14.3 31.7 19.4 2.8 149 149 A Q H < S- 0 0 35 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.2 0.696 90.9-126.8-120.3 -27.3 28.0 19.9 2.5 150 150 A G S < S+ 0 0 60 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.246 80.4 67.0 97.9 -14.3 27.4 21.9 -0.6 151 151 A R - 0 0 96 -6,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.987 50.3-164.9-141.6 155.7 25.3 24.6 1.1 152 152 A L S S+ 0 0 8 -2,-0.3 2,-0.3 -3,-0.1 3,-0.2 0.112 81.7 81.6-107.0 11.0 25.5 27.4 3.7 153 153 A D S S+ 0 0 37 1,-0.2 28,-0.2 26,-0.1 29,-0.0 -0.919 88.6 9.4-126.5 139.3 21.7 27.3 3.7 154 154 A N S S+ 0 0 92 26,-2.8 2,-0.3 -2,-0.3 28,-0.3 0.958 86.7 155.6 59.2 54.8 19.1 25.1 5.4 155 155 A L - 0 0 0 -3,-0.2 28,-2.8 25,-0.1 2,-0.9 -0.829 51.9-130.3-118.1 153.5 21.5 23.3 7.7 156 156 A H E +g 183 0D 55 -2,-0.3 67,-2.5 26,-0.2 68,-1.3 -0.814 39.6 177.8 -95.9 87.0 21.4 21.4 11.0 157 157 A V E -gh 184 224D 1 26,-2.0 28,-1.9 -2,-0.9 2,-0.5 -0.866 11.3-169.0-107.1 119.5 24.4 23.1 12.8 158 158 A A E -gh 185 225D 0 66,-2.2 68,-3.3 -2,-0.6 2,-0.4 -0.889 2.0-165.1-106.2 120.4 25.3 22.1 16.4 159 159 A M E -gh 186 226D 2 26,-2.2 28,-2.8 -2,-0.5 2,-0.3 -0.901 11.6-172.4-109.3 140.5 27.8 24.1 18.4 160 160 A V E +gh 187 227D 2 66,-3.2 68,-3.2 -2,-0.4 2,-0.5 -0.909 37.6 20.4-131.7 156.3 29.3 22.8 21.6 161 161 A G S S+ 0 0 2 26,-1.3 2,-1.5 -2,-0.3 68,-0.2 -0.843 110.2 15.7 105.3-127.8 31.5 23.8 24.5 162 162 A D >> + 0 0 6 -2,-0.5 4,-2.4 67,-0.2 3,-0.5 -0.534 62.1 159.9 -85.4 67.3 32.1 27.4 25.6 163 163 A L T 34 S+ 0 0 0 -2,-1.5 30,-0.2 29,-1.0 -1,-0.2 0.615 72.6 58.4 -69.3 -8.7 29.3 29.1 23.8 164 164 A K T 34 S+ 0 0 82 28,-0.4 -1,-0.2 30,-0.2 29,-0.1 0.837 121.8 15.7 -85.7 -38.9 29.6 32.0 26.3 165 165 A Y T <4 S+ 0 0 99 -3,-0.5 2,-0.9 27,-0.1 -2,-0.2 0.745 92.2 106.1-112.4 -25.5 33.2 32.9 25.7 166 166 A G >X - 0 0 14 -4,-2.4 4,-1.2 1,-0.2 3,-0.9 -0.471 47.6-166.9 -65.4 95.3 34.3 31.3 22.4 167 167 A R H >> S+ 0 0 48 -2,-0.9 4,-2.5 1,-0.3 3,-1.6 0.911 86.5 56.3 -49.7 -56.1 34.5 34.2 19.8 168 168 A T H 3> S+ 0 0 15 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.818 104.8 56.0 -47.7 -35.6 34.7 31.8 16.8 169 169 A V H <> S+ 0 0 0 -3,-0.9 4,-1.0 2,-0.2 -1,-0.3 0.832 111.6 40.1 -71.2 -30.1 31.5 30.2 18.0 170 170 A H H < S+ 0 0 24 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.921 111.3 46.0 -55.6 -51.4 26.5 35.5 13.1 175 175 A A H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.2 4,-0.4 0.914 108.4 54.2 -61.5 -48.3 27.5 34.6 9.6 176 176 A L H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.687 97.6 67.7 -63.8 -14.2 25.2 31.6 9.2 177 177 A A T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.688 88.7 66.1 -74.6 -17.6 22.4 33.9 10.2 178 178 A K T < S+ 0 0 49 -3,-2.4 2,-0.2 -4,-0.3 -1,-0.2 0.658 97.7 62.5 -78.7 -17.4 23.0 35.7 6.9 179 179 A F S < S- 0 0 6 -3,-0.7 3,-0.4 -4,-0.4 2,-0.2 -0.662 88.9-115.7-102.7 162.4 21.8 32.5 5.1 180 180 A D S S+ 0 0 97 -2,-0.2 -26,-2.8 1,-0.2 -25,-0.1 -0.567 81.2 25.2-105.4 164.8 18.4 31.1 5.4 181 181 A G S S+ 0 0 54 1,-0.2 2,-0.4 -28,-0.2 -1,-0.2 0.646 79.8 142.8 67.3 15.4 16.8 27.9 6.7 182 182 A N - 0 0 6 -3,-0.4 26,-0.5 -28,-0.3 2,-0.4 -0.734 30.6-166.5 -90.9 136.3 19.7 27.4 9.1 183 183 A R E -g 156 0D 65 -28,-2.8 -26,-2.0 -2,-0.4 2,-0.4 -0.964 6.6-142.6-127.5 139.2 18.9 25.9 12.6 184 184 A F E -gi 157 209D 0 24,-1.9 26,-2.6 -2,-0.4 2,-0.6 -0.823 12.0-163.6-111.7 136.0 21.1 25.7 15.7 185 185 A Y E -gi 158 210D 4 -28,-1.9 -26,-2.2 -2,-0.4 2,-1.0 -0.936 15.1-161.2-104.4 110.3 21.6 23.2 18.4 186 186 A F E +gi 159 211D 1 24,-1.1 2,-0.9 -2,-0.6 26,-0.7 -0.787 11.5 179.7 -95.4 104.3 23.4 25.0 21.3 187 187 A I E +g 160 0D 0 -28,-2.8 -26,-1.3 -2,-1.0 26,-0.1 -0.704 29.0 123.5-107.6 85.1 24.9 22.2 23.5 188 188 A A - 0 0 15 -2,-0.9 -26,-0.1 24,-0.3 5,-0.1 -0.921 65.2 -88.4-136.2 161.1 26.8 23.9 26.3 189 189 A P > - 0 0 8 0, 0.0 3,-1.5 0, 0.0 -26,-0.1 -0.310 40.0-120.9 -59.7 151.1 26.9 24.0 30.1 190 190 A D G > S+ 0 0 153 1,-0.3 3,-0.6 2,-0.1 23,-0.0 0.775 115.8 56.9 -70.7 -24.5 24.5 26.5 31.6 191 191 A A G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -27,-0.0 -29,-0.0 0.396 117.7 37.0 -80.0 0.2 27.5 28.3 33.3 192 192 A L G < S+ 0 0 4 -3,-1.5 -29,-1.0 -31,-0.1 -28,-0.4 -0.377 88.9 142.9-147.7 50.5 28.9 28.6 29.7 193 193 A A < - 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