==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (CARBAMOYL-P,ASPARTATE) 25-AUG-89 8ATC . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE (R STATE), . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.KE,W.N.LIPSCOMB,Y.CHO,R.B.HONZATKO . 912 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 9.4 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 65 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 22.0 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 2 4 2 3 2 2 0 2 2 0 2 2 0 0 0 0 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 . 0 0 6 0 5 4 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 79 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 141.5 51.7 60.2 89.0 2 2 A N > - 0 0 23 304,-1.1 3,-1.1 303,-0.2 305,-0.0 -0.513 360.0-107.3 -84.1 161.4 54.9 61.3 87.0 3 3 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.796 120.7 47.6 -57.2 -36.8 54.4 63.4 83.9 4 4 A L T > S+ 0 0 2 15,-0.1 3,-2.2 2,-0.1 2,-0.2 0.483 78.4 133.1 -83.9 -8.0 55.2 60.4 81.6 5 5 A Y T < S- 0 0 50 -3,-1.1 298,-0.2 1,-0.3 299,-0.2 -0.292 88.7 -15.0 -55.9 113.7 53.0 58.0 83.5 6 6 A Q T 3 S+ 0 0 77 297,-2.0 -1,-0.3 296,-0.3 2,-0.2 0.615 98.0 146.1 60.0 30.8 51.0 56.3 80.7 7 7 A K < - 0 0 100 -3,-2.2 2,-0.4 116,-0.1 -1,-0.2 -0.526 52.2-118.4 -90.2 153.4 51.8 58.6 77.9 8 8 A H - 0 0 58 -2,-0.2 2,-0.8 115,-0.1 3,-0.2 -0.779 19.3-149.6 -89.1 129.2 52.3 57.6 74.3 9 9 A I B +a 125 0A 1 115,-1.6 117,-2.6 -2,-0.4 127,-0.2 -0.769 46.9 134.6-106.0 79.1 55.8 58.5 73.1 10 10 A I + 0 0 2 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.867 64.0 10.4 -92.5 -49.7 55.1 59.2 69.5 11 11 A S > - 0 0 1 -3,-0.2 3,-1.6 123,-0.1 -1,-0.3 -0.967 61.3-129.3-134.5 143.7 56.9 62.4 68.3 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-0.9 1,-0.3 8,-0.1 0.585 107.4 72.0 -71.2 -12.0 59.6 64.6 70.1 13 13 A N G 3 S+ 0 0 75 1,-0.2 -1,-0.3 3,-0.0 158,-0.0 0.622 91.3 57.2 -72.3 -17.0 57.3 67.5 69.3 14 14 A D G < S+ 0 0 77 -3,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.355 97.6 72.7 -96.9 -2.3 54.9 66.2 72.0 15 15 A L S < S- 0 0 15 -3,-0.9 2,-0.2 -4,-0.1 -6,-0.0 -0.881 71.0-138.6-118.0 150.8 57.4 66.3 74.9 16 16 A S > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.501 34.0 -97.5 -99.5 168.8 58.8 69.3 76.7 17 17 A R H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.846 126.1 51.7 -55.7 -35.8 62.3 70.1 77.9 18 18 A D H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 105.9 53.0 -70.9 -41.3 61.3 68.8 81.4 19 19 A D H > S+ 0 0 29 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.930 111.7 47.0 -55.6 -51.8 60.0 65.6 80.0 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.862 111.3 51.9 -58.2 -42.8 63.3 65.1 78.3 21 21 A N H X S+ 0 0 61 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.852 103.1 57.8 -66.1 -35.3 65.1 66.0 81.5 22 22 A L H X S+ 0 0 50 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.844 106.5 50.1 -65.9 -29.4 63.1 63.5 83.5 23 23 A V H X S+ 0 0 2 -4,-1.1 4,-2.9 -3,-0.4 -2,-0.2 0.902 110.6 46.3 -77.3 -41.3 64.3 60.6 81.3 24 24 A L H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.923 113.3 51.5 -66.7 -41.2 68.0 61.5 81.4 25 25 A A H X S+ 0 0 51 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.946 116.6 39.9 -58.4 -52.7 67.8 61.9 85.3 26 26 A T H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.846 114.7 52.0 -62.4 -42.1 66.1 58.5 85.5 27 27 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.915 109.4 51.3 -58.7 -45.3 68.5 56.9 82.9 28 28 A A H X S+ 0 0 48 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.836 112.6 47.4 -55.9 -41.9 71.4 58.3 84.9 29 29 A K H >X S+ 0 0 101 -4,-1.7 4,-2.3 2,-0.2 3,-0.6 0.837 109.2 49.1 -72.2 -46.4 69.9 56.6 88.0 30 30 A L H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.817 105.5 62.5 -66.4 -29.0 69.1 53.2 86.5 31 31 A K H 3< S+ 0 0 86 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.811 113.7 31.5 -63.7 -32.5 72.7 53.1 85.2 32 32 A A H << S+ 0 0 87 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.846 131.6 29.3 -94.4 -41.5 74.2 53.3 88.6 33 33 A N S < S- 0 0 92 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.869 82.1-152.0-134.1 95.0 71.6 51.4 90.6 34 34 A P - 0 0 80 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.155 6.3-150.6 -64.2 151.8 69.7 48.8 88.7 35 35 A Q > - 0 0 62 1,-0.1 3,-1.2 -5,-0.1 4,-0.3 -0.800 8.9-174.3-129.9 86.1 66.2 47.6 89.4 36 36 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.420 81.6 34.7 -63.4 -2.5 65.6 44.0 88.4 37 37 A E T > + 0 0 120 3,-0.1 3,-0.8 30,-0.1 30,-0.1 0.096 69.4 111.5-144.9 34.2 61.9 44.1 89.2 38 38 A L T < S+ 0 0 29 -3,-1.2 29,-0.2 1,-0.2 28,-0.1 0.893 94.3 40.1 -68.7 -42.7 60.2 47.4 88.5 39 39 A L T > S+ 0 0 0 27,-2.5 3,-1.6 -4,-0.3 2,-0.3 -0.071 81.7 151.8 -98.6 33.4 58.3 45.8 85.6 40 40 A K T < S+ 0 0 107 -3,-0.8 28,-0.2 1,-0.3 3,-0.1 -0.501 70.8 14.2 -66.4 121.2 57.6 42.5 87.4 41 41 A H T 3 S+ 0 0 166 26,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.571 96.4 121.6 87.8 15.2 54.3 41.0 86.0 42 42 A K < - 0 0 66 -3,-1.6 27,-2.8 25,-0.2 2,-0.4 -0.877 48.1-153.8-108.6 142.4 54.0 43.2 82.9 43 43 A V E -b 69 0A 49 -2,-0.4 57,-2.6 25,-0.2 58,-0.5 -0.977 13.1-165.4-116.1 121.4 53.9 41.8 79.3 44 44 A I E -b 70 0A 0 25,-2.7 27,-2.4 -2,-0.4 2,-0.5 -0.922 13.8-137.1-113.0 137.6 55.2 44.2 76.6 45 45 A A E -bc 71 102A 2 56,-2.0 58,-2.5 -2,-0.4 2,-0.5 -0.843 10.7-161.1 -94.4 135.1 54.5 43.7 72.9 46 46 A S E -bc 72 103A 0 25,-1.9 27,-1.7 -2,-0.5 2,-0.7 -0.961 14.6-178.2-116.4 97.3 57.6 44.3 70.6 47 47 A C E +bc 73 104A 2 56,-2.8 58,-1.7 -2,-0.5 2,-0.7 -0.845 5.9 179.2-109.3 94.2 56.1 44.8 67.2 48 48 A F E + c 0 105A 1 25,-2.6 28,-0.3 -2,-0.7 58,-0.2 -0.831 13.8 169.8 -98.3 110.2 58.7 45.4 64.4 49 49 A F S S+ 0 0 21 56,-3.5 2,-0.3 -2,-0.7 57,-0.2 0.525 74.5 45.1 -94.3 -4.6 57.1 45.8 61.0 50 50 A E S S- 0 0 28 55,-0.4 55,-0.1 56,-0.1 -1,-0.0 -0.936 103.8 -78.9-134.3 152.8 60.6 46.9 59.7 51 51 A A + 0 0 92 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.192 51.8 166.7 -55.2 145.8 64.1 45.5 60.2 52 52 A S + 0 0 28 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.926 23.8 167.2-159.1 139.9 66.0 46.4 63.4 53 53 A T S > S+ 0 0 94 -2,-0.3 4,-1.9 3,-0.1 5,-0.3 0.640 89.7 23.9-111.8 -67.4 69.1 45.1 65.2 54 54 A R H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.885 119.4 52.7 -68.4 -54.1 69.7 47.8 67.9 55 55 A T H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.932 117.7 37.6 -57.3 -43.8 66.3 49.3 68.4 56 56 A R H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.926 118.3 44.9 -74.7 -48.7 64.5 46.0 69.0 57 57 A L H X S+ 0 0 80 -4,-1.9 4,-2.8 2,-0.2 -3,-0.2 0.829 114.0 49.7 -65.2 -35.4 67.2 44.1 71.0 58 58 A S H X S+ 0 0 15 -4,-2.0 4,-3.1 -5,-0.3 -1,-0.2 0.878 114.0 46.5 -68.7 -40.4 68.0 47.0 73.3 59 59 A F H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.4 -2,-0.2 0.923 116.0 44.2 -67.2 -48.5 64.3 47.5 74.0 60 60 A Q H X S+ 0 0 36 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.916 115.3 48.5 -67.0 -34.7 63.9 43.8 74.6 61 61 A T H X S+ 0 0 57 -4,-2.8 4,-1.9 1,-0.2 3,-0.4 0.945 111.3 50.9 -65.6 -46.6 67.1 43.7 76.7 62 62 A S H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.813 106.8 55.0 -54.1 -41.0 65.8 46.7 78.6 63 63 A M H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 -1,-0.2 0.873 112.1 42.2 -61.9 -43.3 62.5 44.9 79.3 64 64 A H H ><5S+ 0 0 113 -4,-1.5 3,-1.6 -3,-0.4 -2,-0.2 0.766 105.5 60.9 -78.1 -34.9 64.1 41.9 80.8 65 65 A R H 3<5S+ 0 0 166 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 110.7 45.5 -61.7 -28.6 66.7 43.8 82.9 66 66 A L T 3<5S- 0 0 0 -4,-1.1 -27,-2.5 -5,-0.2 -1,-0.3 0.130 120.7-110.2 -98.6 12.9 63.6 45.3 84.5 67 67 A G T < 5S+ 0 0 29 -3,-1.6 -26,-0.7 1,-0.2 -3,-0.2 0.466 72.3 130.1 69.8 9.0 61.7 42.0 85.0 68 68 A A < - 0 0 5 -5,-2.2 2,-0.3 -28,-0.2 -25,-0.2 -0.377 52.6-124.2 -83.2 165.3 58.9 42.4 82.4 69 69 A S E -b 43 0A 64 -27,-2.8 -25,-2.7 -30,-0.2 2,-0.4 -0.774 20.3-142.2-109.3 163.7 58.0 39.7 79.7 70 70 A V E +b 44 0A 35 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.973 21.3 170.1-132.4 141.0 57.9 40.2 76.0 71 71 A V E +b 45 0A 73 -27,-2.4 -25,-1.9 -2,-0.4 2,-0.3 -0.915 33.9 94.1-134.6 159.2 55.8 38.9 73.1 72 72 A G E -b 46 0A 51 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.967 57.3 -87.0 155.2-163.8 55.8 40.2 69.6 73 73 A F E -b 47 0A 42 -27,-1.7 -25,-2.6 -2,-0.3 3,-0.1 -0.964 4.4-162.6-144.8 155.3 57.2 39.8 66.1 74 74 A S S S+ 0 0 68 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.320 90.3 47.3-115.7 3.6 60.2 41.0 64.2 75 75 A D > - 0 0 87 1,-0.1 3,-1.3 -24,-0.1 -1,-0.3 -0.876 61.6-159.5-151.9 109.5 58.5 40.2 60.9 76 76 A S G > S+ 0 0 29 -2,-0.3 3,-1.2 -28,-0.3 6,-0.7 0.543 79.2 89.9 -65.6 -6.9 55.0 41.2 60.0 77 77 A A G 3 S+ 0 0 36 1,-0.3 -1,-0.3 5,-0.2 -28,-0.0 0.582 89.4 41.7 -63.7 -25.8 55.0 38.3 57.3 78 78 A N G < S+ 0 0 127 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.1 0.186 94.9 96.6-107.8 5.4 53.6 35.7 59.7 79 79 A T S <> S- 0 0 22 -3,-1.2 4,-1.8 -4,-0.1 5,-0.2 -0.332 91.3-110.7 -82.9 174.7 51.0 37.9 61.3 80 80 A S H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 6,-1.2 0.696 121.2 62.7 -82.8 -10.8 47.5 37.7 60.1 81 81 A L H 4 S+ 0 0 38 4,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.850 106.5 43.4 -74.2 -38.4 48.2 41.3 58.8 82 82 A G H 4 S+ 0 0 39 -6,-0.7 -2,-0.2 3,-0.1 -5,-0.2 0.865 131.7 19.4 -74.3 -40.1 50.9 39.9 56.5 83 83 A K H < S+ 0 0 146 -4,-1.8 -2,-0.2 -7,-0.2 -3,-0.2 0.714 126.3 39.9-107.1 -27.2 49.0 36.9 55.3 84 84 A K S < S- 0 0 171 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.397 106.1-107.6-106.5 4.4 45.2 37.3 55.8 85 85 A G + 0 0 67 -5,-0.3 -4,-0.2 -4,-0.3 2,-0.2 0.740 56.2 165.2 80.0 31.4 44.9 41.0 54.9 86 86 A E - 0 0 66 -6,-1.2 -1,-0.2 1,-0.1 -2,-0.0 -0.514 32.9-123.5 -80.4 142.1 44.2 42.5 58.2 87 87 A T > - 0 0 49 -2,-0.2 4,-1.4 1,-0.1 -1,-0.1 -0.264 19.1-117.8 -78.8 170.2 44.6 46.3 58.7 88 88 A L H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.917 114.3 62.1 -73.8 -40.5 46.9 47.8 61.4 89 89 A A H > S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.956 109.2 40.9 -49.0 -54.8 43.8 49.4 63.1 90 90 A D H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.848 112.9 55.0 -64.3 -35.2 42.5 45.8 63.8 91 91 A T H X S+ 0 0 8 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.935 112.4 41.9 -61.9 -50.9 46.0 44.5 64.7 92 92 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.846 108.1 61.6 -65.2 -36.3 46.5 47.1 67.4 93 93 A S H < S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.900 113.7 34.0 -59.9 -46.1 42.9 46.8 68.6 94 94 A V H >< S+ 0 0 65 -4,-1.6 3,-2.3 2,-0.2 4,-0.5 0.879 115.7 53.5 -78.5 -44.0 43.5 43.1 69.6 95 95 A I H >X S+ 0 0 22 -4,-2.7 4,-1.4 1,-0.3 3,-1.2 0.849 102.8 61.5 -60.7 -27.8 47.1 43.3 70.7 96 96 A S T 3< S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.661 96.2 59.2 -72.5 -9.0 46.1 46.1 73.0 97 97 A T T <4 S+ 0 0 110 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.579 110.5 43.2 -89.6 -10.7 43.8 43.7 74.9 98 98 A Y T <4 S+ 0 0 166 -3,-1.2 2,-0.2 -4,-0.5 -2,-0.2 0.740 108.5 51.1-100.3 -41.2 46.7 41.4 75.7 99 99 A V < - 0 0 7 -4,-1.4 -55,-0.2 -57,-0.1 3,-0.1 -0.583 59.7-137.0-114.1 170.3 49.6 43.7 76.8 100 100 A D S S+ 0 0 59 -57,-2.6 2,-0.3 1,-0.3 -56,-0.2 0.619 91.7 5.9 -94.8 -27.2 50.6 46.6 79.0 101 101 A A - 0 0 0 -58,-0.5 -56,-2.0 21,-0.2 2,-0.4 -0.890 66.8-145.2-152.5 156.3 52.8 48.8 76.6 102 102 A I E -cd 45 124A 0 21,-1.8 23,-2.9 -2,-0.3 2,-0.5 -0.986 6.7-164.1-133.1 119.6 53.3 48.3 72.8 103 103 A V E -cd 46 125A 0 -58,-2.5 -56,-2.8 -2,-0.4 2,-0.4 -0.949 21.1-179.9-101.7 125.5 56.7 49.2 71.2 104 104 A M E -cd 47 126A 2 21,-2.5 23,-2.8 -2,-0.5 24,-0.5 -0.999 24.4-172.8-138.5 141.4 56.3 49.5 67.4 105 105 A R E +c 48 0A 19 -58,-1.7 -56,-3.5 -2,-0.4 -55,-0.4 -0.971 23.0 173.7-125.9 129.6 58.5 50.2 64.4 106 106 A H E - d 0 129A 13 22,-2.7 24,-2.6 -2,-0.4 5,-0.1 -0.967 39.6-126.7-139.7 154.2 56.7 50.6 61.0 107 107 A P S S+ 0 0 42 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.603 86.4 76.3 -77.2 -18.8 57.5 51.5 57.5 108 108 A Q S > S- 0 0 47 22,-0.2 3,-2.2 23,-0.0 4,-0.2 -0.853 85.1-114.0-106.9 136.8 54.8 54.2 57.1 109 109 A E B 3 S+e 418 0B 4 308,-1.0 310,-1.7 -2,-0.5 311,-0.3 -0.259 103.2 20.8 -59.0 133.4 54.9 57.6 58.6 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-1.7 334,-0.3 -1,-0.3 0.504 81.3 127.5 85.5 3.8 52.3 58.1 61.2 111 111 A A H <> S+ 0 0 0 -3,-2.2 4,-1.2 1,-0.2 -2,-0.1 0.826 76.5 47.4 -56.9 -40.0 51.9 54.4 61.8 112 112 A A H > S+ 0 0 2 2,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.747 107.0 54.3 -73.1 -35.5 52.5 55.0 65.6 113 113 A R H >> S+ 0 0 43 -3,-0.2 4,-0.7 2,-0.2 3,-0.5 0.911 108.1 51.2 -65.4 -44.7 50.0 57.9 65.9 114 114 A L H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.3 4,-0.4 0.859 104.5 57.6 -57.3 -44.5 47.2 55.7 64.3 115 115 A A H >X S+ 0 0 0 -4,-1.2 3,-1.7 1,-0.3 4,-1.5 0.867 96.5 62.3 -59.0 -36.1 48.0 53.0 66.9 116 116 A T H << S+ 0 0 27 -4,-1.0 4,-0.4 -3,-0.5 -1,-0.3 0.821 100.0 56.3 -61.1 -28.5 47.3 55.4 69.7 117 117 A E T << S+ 0 0 73 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.568 114.8 35.7 -80.5 -8.0 43.7 55.7 68.3 118 118 A F T <4 S+ 0 0 61 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.540 101.7 73.6-119.9 -9.7 43.1 52.0 68.6 119 119 A S S >< S- 0 0 1 -4,-1.5 3,-1.5 1,-0.3 2,-0.3 0.561 71.5-162.8 -85.3 -12.6 45.0 51.0 71.7 120 120 A G T 3 S- 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 -0.449 74.6 -4.7 69.2-128.4 42.7 52.4 74.4 121 121 A N T 3 S+ 0 0 136 -2,-0.3 -1,-0.3 -25,-0.1 -2,-0.0 0.489 108.1 108.8 -73.8 -10.2 44.6 52.7 77.7 122 122 A V < - 0 0 6 -3,-1.5 -21,-0.2 -6,-0.1 -3,-0.1 -0.642 69.8-127.7 -85.4 119.1 47.8 51.0 76.3 123 123 A P - 0 0 1 0, 0.0 -21,-1.8 0, 0.0 2,-0.4 -0.435 18.0-151.5 -60.6 134.3 50.8 53.2 75.8 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-1.6 -2,-0.1 2,-0.5 -0.930 5.5-158.7-109.0 133.0 52.3 53.0 72.3 125 125 A L E -ad 9 103A 0 -23,-2.9 -21,-2.5 -2,-0.4 2,-0.9 -0.973 16.7-132.3-112.4 127.5 56.1 53.7 72.1 126 126 A N E + d 0 104A 1 -117,-2.6 10,-0.8 -2,-0.5 -21,-0.2 -0.754 25.6 177.2 -87.3 106.6 57.3 54.7 68.6 127 127 A A E S- 0 0 0 -23,-2.8 -22,-0.2 -2,-0.9 -1,-0.1 0.229 74.8 -47.4 -87.3 12.2 60.4 52.7 67.7 128 128 A G E - 0 0 1 -24,-0.5 -22,-2.7 -118,-0.1 2,-0.4 -0.015 49.2-154.1 122.5 133.9 60.3 54.5 64.3 129 129 A D E > - d 0 106A 2 4,-1.2 3,-1.9 -24,-0.2 4,-0.4 -0.901 60.7 -63.9-132.5 97.8 57.6 55.2 61.7 130 130 A G T 3 S- 0 0 0 -24,-2.6 37,-0.2 -2,-0.4 -22,-0.2 -0.353 103.7 -34.7 57.4-136.5 58.9 55.7 58.2 131 131 A S T 3 S+ 0 0 2 -24,-0.1 -1,-0.2 35,-0.1 3,-0.1 0.043 123.3 88.2-106.8 20.3 61.2 58.8 57.9 132 132 A N S < S- 0 0 0 -3,-1.9 2,-0.3 1,-0.2 38,-0.2 0.953 87.6 -5.8 -78.6 -92.3 59.1 60.7 60.4 133 133 A Q + 0 0 0 -4,-0.4 -4,-1.2 -123,-0.1 -1,-0.2 -0.838 31.4 177.5-122.6 155.3 60.2 60.2 64.0 134 134 A H > + 0 0 5 33,-0.6 4,-1.8 -2,-0.3 3,-0.3 -0.603 18.2 164.4-148.9 70.5 62.6 58.2 66.2 135 135 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -8,-0.1 0.904 74.4 54.7 -64.9 -41.0 62.0 59.6 69.8 136 136 A T H > S+ 0 0 1 -10,-0.8 4,-1.7 2,-0.2 5,-0.2 0.790 106.6 52.3 -68.0 -22.0 63.7 56.7 71.6 137 137 A Q H > S+ 0 0 10 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.945 107.8 52.7 -73.4 -47.5 66.9 57.2 69.6 138 138 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.904 105.6 53.8 -56.0 -45.8 66.8 60.9 70.6 139 139 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 113.4 41.6 -57.6 -48.5 66.5 60.0 74.3 140 140 A L H X S+ 0 0 5 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.774 115.0 53.5 -69.7 -25.0 69.7 57.8 74.1 141 141 A D H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.956 109.8 45.3 -71.6 -48.4 71.4 60.5 71.9 142 142 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.861 111.4 54.3 -59.4 -44.9 70.7 63.3 74.5 143 143 A F H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.885 110.2 46.8 -58.4 -42.2 71.9 61.1 77.2 144 144 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.839 113.2 46.9 -70.9 -40.0 75.2 60.5 75.3 145 145 A I H X>S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.6 0.987 114.3 48.0 -62.5 -61.3 75.8 64.2 74.5 146 146 A Q H X5S+ 0 0 56 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.904 112.1 49.7 -46.6 -50.9 75.1 65.2 78.0 147 147 A Q H <5S+ 0 0 77 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.927 119.3 35.7 -62.2 -38.6 77.3 62.6 79.4 148 148 A T H <5S+ 0 0 33 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.681 131.6 29.2 -88.4 -19.9 80.3 63.4 77.1 149 149 A E H <5S- 0 0 23 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.675 94.6-131.2-111.0 -23.8 79.8 67.2 77.1 150 150 A G S < - 0 0 1 -4,-0.3 4,-1.1 1,-0.2 3,-0.3 -0.577 38.3-179.8 -70.2 94.0 66.6 60.6 58.6 167 167 A R H > S+ 0 0 14 -2,-1.1 4,-1.7 1,-0.2 -33,-0.6 0.851 83.0 61.5 -64.4 -27.9 63.8 60.0 61.2 168 168 A T H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 106.2 39.5 -63.7 -43.2 66.8 60.2 63.7 169 169 A V H > S+ 0 0 0 -3,-0.3 4,-1.4 -7,-0.2 -1,-0.2 0.513 108.6 62.5 -83.7 -15.3 67.9 63.8 62.9 170 170 A H H X S+ 0 0 1 -4,-1.1 4,-1.3 -38,-0.2 -2,-0.2 0.924 112.1 38.7 -73.5 -45.8 64.3 65.0 62.6 171 171 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.838 115.5 50.1 -71.1 -44.1 63.8 64.0 66.3 172 172 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.901 108.8 54.0 -65.5 -39.9 67.2 65.2 67.6 173 173 A T H X S+ 0 0 0 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.906 110.8 44.3 -62.7 -43.3 66.8 68.5 65.9 174 174 A Q H < S+ 0 0 11 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.814 113.0 54.1 -69.7 -30.9 63.5 69.2 67.6 175 175 A A H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.940 110.0 43.8 -70.1 -46.8 64.9 67.9 70.9 176 176 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.3 6,-0.3 0.632 102.7 65.1 -72.6 -17.5 68.0 70.2 71.0 177 177 A A T 3< S+ 0 0 9 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.336 92.0 67.2 -83.8 1.4 66.1 73.4 69.9 178 178 A K T < S+ 0 0 52 -3,-1.2 -1,-0.2 -5,-0.1 2,-0.2 0.498 96.0 67.2 -91.4 -14.2 64.3 72.9 73.2 179 179 A F S < S- 0 0 9 -3,-0.8 3,-0.4 -27,-0.1 2,-0.3 -0.596 95.3 -98.1-104.4 166.2 67.6 73.8 74.9 180 180 A D S S+ 0 0 96 -2,-0.2 -26,-2.1 1,-0.2 -25,-0.2 -0.687 88.8 4.1 -95.5 148.2 69.2 77.2 74.8 181 181 A G S S+ 0 0 52 -2,-0.3 -1,-0.2 -28,-0.2 2,-0.2 0.424 74.7 155.2 63.9 15.7 72.0 78.4 72.6 182 182 A N - 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