==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-00 1EKX . COMPND 2 MOLECULE: ASPARTATE TRANSCARBAMOYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.ENDRIZZI,P.T.BEERNINK,T.ALBER,H.K.SCHACHMAN . 925 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33636.0 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 . 131 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 58 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 4 0 2 0 4 2 4 0 3 0 0 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 5 6 10 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 141 0, 0.0 306,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 158.3 -17.7 21.0 41.3 2 2 A N > - 0 0 15 304,-0.6 3,-1.4 1,-0.1 305,-0.0 -0.690 360.0-161.7 -84.0 113.9 -14.6 22.0 39.2 3 3 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.641 88.0 49.2 -70.0 -16.6 -14.1 19.4 36.5 4 4 A L T > S+ 0 0 2 298,-0.1 3,-1.9 302,-0.1 2,-0.1 0.406 76.1 131.8-103.4 4.4 -10.5 20.5 35.8 5 5 A Y T < S- 0 0 100 -3,-1.4 298,-0.2 1,-0.3 299,-0.2 -0.318 87.5 -9.1 -62.3 128.3 -9.2 20.5 39.5 6 6 A Q T 3 S+ 0 0 73 297,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.688 101.6 143.6 57.5 25.6 -5.9 18.7 39.8 7 7 A K < - 0 0 97 -3,-1.9 -1,-0.2 116,-0.1 2,-0.2 -0.711 53.8-119.1 -96.3 144.8 -6.2 17.3 36.2 8 8 A H - 0 0 72 -2,-0.3 2,-0.5 115,-0.1 117,-0.2 -0.490 20.7-150.1 -73.9 142.9 -3.3 16.8 33.8 9 9 A I B +a 125 0A 2 115,-2.5 117,-2.6 -2,-0.2 127,-0.1 -0.776 44.8 132.7-120.2 86.8 -3.7 19.0 30.6 10 10 A I + 0 0 7 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.818 63.2 14.5-107.3 -39.9 -2.0 17.0 27.8 11 11 A S > - 0 0 9 1,-0.1 3,-1.1 123,-0.1 -1,-0.3 -0.996 55.0-134.2-142.6 150.4 -4.2 16.9 24.7 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.847 105.6 71.6 -69.4 -28.6 -7.3 18.6 23.4 13 13 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.848 94.4 54.0 -59.4 -27.0 -8.5 15.1 22.6 14 14 A D G < S+ 0 0 86 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.432 97.6 81.3 -84.4 -2.9 -9.0 14.5 26.3 15 15 A L < - 0 0 14 -3,-2.5 2,-0.2 -4,-0.1 -6,-0.0 -0.843 69.5-136.3-110.0 148.5 -11.2 17.6 26.9 16 16 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.541 28.5-108.3 -93.7 165.2 -14.9 18.1 26.2 17 17 A R H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 123.0 53.0 -51.8 -48.8 -16.8 21.0 24.6 18 18 A D H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 107.0 50.5 -57.6 -42.7 -18.0 21.8 28.1 19 19 A D H > S+ 0 0 20 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.889 110.5 50.3 -62.7 -40.9 -14.5 21.9 29.6 20 20 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.956 110.2 49.6 -63.0 -41.9 -13.3 24.2 26.8 21 21 A N H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.850 107.3 55.3 -63.6 -39.7 -16.3 26.6 27.4 22 22 A L H X S+ 0 0 37 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.924 107.1 48.9 -60.3 -45.1 -15.5 26.6 31.2 23 23 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.920 113.0 48.5 -59.8 -42.8 -11.8 27.8 30.5 24 24 A L H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 111.6 48.0 -65.2 -41.9 -13.2 30.5 28.2 25 25 A A H X S+ 0 0 56 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.869 112.5 49.1 -64.8 -41.3 -15.8 31.7 30.7 26 26 A T H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.940 109.7 53.6 -65.3 -35.4 -13.2 31.8 33.5 27 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 106.2 51.1 -66.7 -43.4 -10.8 33.8 31.2 28 28 A A H X S+ 0 0 47 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.921 110.0 50.5 -60.8 -42.5 -13.5 36.4 30.5 29 29 A K H X S+ 0 0 111 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.924 113.3 44.1 -64.1 -43.6 -14.1 36.9 34.3 30 30 A L H < S+ 0 0 5 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.864 109.8 55.7 -71.0 -30.5 -10.4 37.3 35.1 31 31 A K H < S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.905 113.1 43.4 -65.9 -35.4 -9.8 39.6 32.1 32 32 A A H < S+ 0 0 66 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 132.2 14.3 -71.9 -50.6 -12.6 41.8 33.5 33 33 A N S < S- 0 0 119 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.898 77.4-136.3-137.4 113.2 -11.4 41.6 37.2 34 34 A P - 0 0 94 0, 0.0 32,-0.1 0, 0.0 -3,-0.1 -0.088 2.0-152.9 -60.7 156.1 -8.0 40.4 38.4 35 35 A Q > + 0 0 70 30,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.695 16.8 179.1-128.7 76.0 -7.6 38.0 41.4 36 36 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 315,-0.1 0.622 77.9 37.2 -62.5 -13.9 -4.0 38.9 42.6 37 37 A E T > S+ 0 0 97 1,-0.1 3,-1.9 2,-0.1 29,-0.1 0.370 79.7 109.4-119.8 10.9 -4.0 36.5 45.6 38 38 A L T < S+ 0 0 49 -3,-1.4 29,-0.2 1,-0.3 -1,-0.1 0.893 93.1 29.1 -52.2 -44.9 -5.8 33.5 44.2 39 39 A L T > S+ 0 0 2 27,-2.7 3,-1.6 -4,-0.4 -1,-0.3 0.048 83.0 144.3-109.4 31.4 -2.7 31.4 44.0 40 40 A K T < S+ 0 0 83 -3,-1.9 28,-0.2 1,-0.3 3,-0.1 -0.367 71.7 30.8 -59.6 148.4 -0.8 32.9 46.9 41 41 A H T 3 S+ 0 0 118 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.619 96.6 115.1 75.3 4.4 1.2 30.1 48.6 42 42 A K < - 0 0 63 -3,-1.6 27,-2.4 25,-0.2 2,-0.4 -0.900 47.2-164.2-105.6 142.8 1.6 28.1 45.3 43 43 A V E -b 69 0A 3 -2,-0.4 57,-3.1 25,-0.2 58,-0.6 -0.997 11.5-165.1-125.5 121.0 5.0 27.5 43.7 44 44 A I E -bc 70 101A 0 25,-2.3 27,-2.0 -2,-0.4 2,-0.4 -0.949 14.2-132.9-113.7 140.5 4.9 26.4 40.0 45 45 A A E -bc 71 102A 0 56,-2.5 58,-2.9 -2,-0.4 2,-0.5 -0.747 12.1-164.2 -92.2 136.5 7.7 24.8 37.9 46 46 A S E +bc 72 103A 0 25,-2.4 27,-2.1 -2,-0.4 2,-0.6 -0.974 14.7 177.3-119.0 102.6 8.3 26.2 34.4 47 47 A C E +bc 73 104A 4 56,-3.0 58,-2.0 -2,-0.5 2,-0.6 -0.890 4.7 179.0-120.3 96.7 10.5 23.7 32.4 48 48 A F E + c 0 105A 1 25,-2.6 58,-0.2 -2,-0.6 4,-0.1 -0.902 12.0 175.4-108.8 117.9 11.3 24.5 28.8 49 49 A F S S+ 0 0 28 56,-2.6 2,-0.3 -2,-0.6 27,-0.2 0.364 74.0 33.7 -99.6 -4.2 13.5 22.0 26.9 50 50 A E S S- 0 0 32 55,-0.2 55,-0.1 56,-0.1 338,-0.1 -0.913 104.2 -65.7-141.4 172.9 13.2 23.8 23.6 51 51 A A + 0 0 12 -2,-0.3 2,-0.3 338,-0.1 338,-0.2 -0.164 51.9 163.0 -66.6 152.7 12.9 27.5 22.6 52 52 A S + 0 0 5 336,-2.1 339,-0.1 22,-0.1 336,-0.1 -0.961 22.3 168.7-163.7 141.7 10.0 29.8 23.4 53 53 A T S > S+ 0 0 2 -2,-0.3 4,-1.8 336,-0.2 5,-0.3 0.544 87.0 26.7-112.4 -65.3 9.2 33.5 23.6 54 54 A R H > S+ 0 0 15 2,-0.2 4,-2.6 3,-0.2 5,-0.4 0.935 120.2 50.1 -67.8 -49.2 5.4 33.8 24.0 55 55 A T H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.965 117.2 38.8 -65.0 -45.4 4.4 30.6 25.7 56 56 A R H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 119.8 44.3 -66.5 -48.1 7.0 30.8 28.5 57 57 A L H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.888 115.4 48.2 -66.2 -39.3 6.8 34.5 29.2 58 58 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.909 112.2 49.0 -67.9 -42.7 3.0 34.6 29.1 59 59 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.4 -2,-0.2 0.958 113.8 45.9 -59.9 -46.9 2.7 31.5 31.4 60 60 A E H X S+ 0 0 25 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.905 112.2 50.6 -66.2 -37.8 5.1 33.0 33.9 61 61 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.934 109.4 52.0 -64.0 -42.5 3.4 36.5 33.8 62 62 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.847 106.4 53.6 -60.4 -42.9 0.1 34.7 34.4 63 63 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 3,-0.8 0.936 112.2 44.5 -55.5 -51.9 1.5 32.9 37.5 64 64 A H H ><5S+ 0 0 35 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.886 106.7 59.3 -62.4 -40.0 2.7 36.3 39.0 65 65 A R H 3<5S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -30,-0.2 0.722 108.9 45.4 -61.5 -21.3 -0.7 38.0 38.1 66 66 A L T <<5S- 0 0 0 -4,-0.9 -27,-2.7 -3,-0.8 -1,-0.3 0.311 122.4-107.2 -97.0 2.1 -2.4 35.3 40.4 67 67 A G T < 5S+ 0 0 8 -3,-1.7 -26,-0.5 1,-0.3 -25,-0.2 0.556 74.2 134.6 83.4 8.4 0.2 35.7 43.2 68 68 A A < - 0 0 4 -5,-2.3 -1,-0.3 -28,-0.2 2,-0.2 -0.471 49.5-128.1 -84.7 163.8 2.1 32.4 42.6 69 69 A S E -b 43 0A 31 -27,-2.4 -25,-2.3 -30,-0.2 2,-0.4 -0.736 19.9-144.6-102.3 163.6 5.9 32.0 42.6 70 70 A V E +b 44 0A 25 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.980 18.7 174.5-137.9 141.5 7.9 30.3 39.8 71 71 A V E +b 45 0A 6 -27,-2.0 -25,-2.4 -2,-0.4 2,-0.3 -0.925 34.1 88.5-130.1 157.2 11.0 28.2 39.6 72 72 A G E -b 46 0A 16 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.998 58.3 -87.4 155.0-156.7 12.5 26.4 36.5 73 73 A F E -b 47 0A 19 -27,-2.1 -25,-2.6 -2,-0.3 3,-0.1 -0.981 4.7-151.0-156.6 148.5 14.7 26.7 33.5 74 74 A S S S+ 0 0 43 -2,-0.3 2,-0.3 1,-0.2 -22,-0.1 0.391 90.8 28.1-107.2 3.4 14.5 27.8 29.9 75 75 A D - 0 0 52 -26,-0.1 3,-0.4 -24,-0.1 -1,-0.2 -0.973 68.8-138.0-154.7 151.9 17.1 25.4 28.7 76 76 A S S > S+ 0 0 29 -2,-0.3 3,-2.0 1,-0.2 6,-0.6 0.552 76.3 100.2 -92.1 -5.0 18.3 22.0 29.9 77 77 A A T 3 S+ 0 0 32 1,-0.3 -1,-0.2 5,-0.1 593,-0.1 0.696 89.3 36.1 -50.2 -39.0 22.1 22.6 29.5 78 78 A N T 3 S+ 0 0 37 -3,-0.4 593,-2.2 4,-0.1 -1,-0.3 0.121 97.4 97.8-101.9 12.5 22.8 23.4 33.2 79 79 A T S <> S- 0 0 5 -3,-2.0 4,-1.6 591,-0.2 5,-0.3 -0.463 91.0-105.4 -81.8-179.7 20.3 20.9 34.7 80 80 A S H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 6,-1.5 0.844 124.4 56.9 -76.8 -24.3 21.5 17.4 36.0 81 81 A L H 4 S+ 0 0 44 4,-0.2 4,-0.4 3,-0.2 -1,-0.2 0.869 107.4 48.3 -68.1 -38.0 19.9 16.0 32.9 82 82 A G H 4 S+ 0 0 32 -6,-0.6 -2,-0.2 -3,-0.1 -1,-0.2 0.826 130.7 14.0 -75.1 -32.5 22.0 18.3 30.7 83 83 A K H < S+ 0 0 129 -4,-1.6 -3,-0.2 -7,-0.1 -2,-0.2 0.643 127.1 44.0-118.5 -22.5 25.4 17.5 32.3 84 84 A K S < S- 0 0 25 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.453 103.7-107.4-113.6 8.7 25.2 14.4 34.6 85 85 A G + 0 0 56 -5,-0.5 -4,-0.2 -4,-0.4 -3,-0.1 0.554 57.2 165.5 82.7 14.8 23.2 12.0 32.4 86 86 A E - 0 0 8 -6,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.247 34.4-118.8 -65.8 146.4 19.9 12.1 34.4 87 87 A T > - 0 0 73 801,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.449 15.4-122.1 -76.4 161.2 16.7 10.7 32.9 88 88 A L H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.874 113.2 56.7 -68.0 -40.6 13.6 12.8 32.2 89 89 A A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.962 108.0 45.7 -55.0 -50.4 11.6 10.5 34.4 90 90 A D H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.907 109.0 57.2 -63.1 -35.5 13.9 11.0 37.4 91 91 A T H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.915 110.8 42.5 -62.8 -43.2 13.8 14.8 36.8 92 92 A I H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 108.8 59.7 -68.9 -38.0 10.0 14.9 37.0 93 93 A S H < S+ 0 0 16 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.906 112.6 36.8 -60.9 -42.1 10.0 12.6 40.0 94 94 A V H >< S+ 0 0 0 -4,-2.1 3,-1.9 2,-0.2 4,-0.3 0.905 114.2 54.5 -77.4 -38.2 12.2 15.0 42.2 95 95 A I H >X S+ 0 0 2 -4,-2.0 3,-2.0 1,-0.3 4,-1.5 0.898 100.4 63.3 -63.3 -31.7 10.6 18.2 40.8 96 96 A S T 3< S+ 0 0 18 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.636 94.1 61.0 -65.1 -18.1 7.2 16.8 41.8 97 97 A T T <4 S+ 0 0 54 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.518 110.9 40.2 -83.6 -4.3 8.3 16.8 45.5 98 98 A Y T <4 S+ 0 0 9 -3,-2.0 2,-0.2 -4,-0.3 -2,-0.2 0.786 107.5 50.1-106.3 -39.3 8.8 20.6 45.4 99 99 A V < - 0 0 7 -4,-1.5 -55,-0.2 1,-0.1 3,-0.1 -0.636 62.6-131.7-116.2 168.2 5.9 22.3 43.4 100 100 A D S S+ 0 0 41 -57,-3.1 2,-0.3 1,-0.2 -56,-0.2 0.639 91.9 0.9 -87.5 -17.9 2.2 22.5 43.0 101 101 A A E -c 44 0A 1 -58,-0.6 -56,-2.5 21,-0.2 2,-0.5 -0.969 64.4-134.5-164.4 153.9 2.1 22.0 39.2 102 102 A I E -cd 45 124A 0 21,-2.6 23,-2.9 -2,-0.3 2,-0.5 -0.974 8.2-164.1-121.9 122.9 4.6 21.5 36.3 103 103 A V E -cd 46 125A 0 -58,-2.9 -56,-3.0 -2,-0.5 2,-0.4 -0.902 23.2-179.4 -98.2 126.6 4.5 23.4 33.0 104 104 A M E -cd 47 126A 2 21,-2.5 23,-3.0 -2,-0.5 24,-0.5 -0.989 24.9-176.0-139.1 136.1 6.6 21.6 30.4 105 105 A R E +cd 48 128A 6 -58,-2.0 -56,-2.6 -2,-0.4 -55,-0.2 -0.986 20.9 172.0-117.1 134.8 7.7 22.1 26.7 106 106 A H E - d 0 129A 16 22,-2.3 24,-2.7 -2,-0.4 6,-0.1 -0.984 39.3-129.8-147.8 144.2 9.8 19.3 25.2 107 107 A P S S+ 0 0 54 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.717 84.7 82.4 -68.1 -21.0 11.1 18.4 21.6 108 108 A Q S > S- 0 0 129 22,-0.2 3,-1.8 23,-0.1 4,-0.2 -0.745 83.0-118.8 -92.8 131.6 9.9 14.8 21.7 109 109 A E T 3 S+ 0 0 101 -2,-0.5 21,-0.1 1,-0.3 -1,-0.0 -0.331 100.7 22.5 -59.1 133.9 6.3 13.7 20.9 110 110 A G T 3> S+ 0 0 34 19,-0.3 4,-2.4 -4,-0.1 -1,-0.3 0.360 84.7 120.2 89.1 -5.0 4.7 12.0 23.9 111 111 A A H <> S+ 0 0 7 -3,-1.8 4,-1.7 1,-0.2 -2,-0.1 0.839 73.2 50.2 -64.9 -37.9 7.0 13.6 26.5 112 112 A A H > S+ 0 0 3 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 110.6 49.1 -66.6 -42.1 4.3 15.3 28.5 113 113 A R H > S+ 0 0 117 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.941 109.2 53.7 -64.4 -39.7 2.2 12.1 28.8 114 114 A L H >< S+ 0 0 69 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.913 103.2 57.6 -59.7 -39.2 5.3 10.2 29.9 115 115 A A H >X S+ 0 0 2 -4,-1.7 3,-1.7 1,-0.3 4,-1.0 0.855 95.1 64.1 -61.4 -33.2 5.8 12.9 32.7 116 116 A T H 3< S+ 0 0 33 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.3 0.786 93.3 63.0 -61.2 -28.0 2.4 12.2 34.1 117 117 A E T << S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.707 114.4 32.2 -67.2 -18.2 3.6 8.6 34.9 118 118 A F T <4 S+ 0 0 74 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.473 97.7 79.9-117.5 -5.4 6.2 10.0 37.4 119 119 A S S >< S- 0 0 3 -4,-1.0 3,-2.5 1,-0.2 -3,-0.1 0.414 71.7-160.3 -87.8 -0.1 4.6 13.2 38.8 120 120 A G T 3 S- 0 0 59 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.0 -0.309 72.1 -11.2 60.0-118.4 2.4 11.5 41.4 121 121 A N T 3 S+ 0 0 154 -25,-0.1 -1,-0.3 2,-0.1 -5,-0.0 0.381 110.3 105.5 -93.2 5.0 -0.3 13.9 42.5 122 122 A V S < S- 0 0 19 -3,-2.5 -21,-0.2 -6,-0.1 2,-0.1 -0.791 72.3-122.9 -91.1 125.9 1.2 17.0 40.8 123 123 A P - 0 0 1 0, 0.0 -21,-2.6 0, 0.0 2,-0.4 -0.401 17.3-146.2 -64.4 140.0 -0.6 18.1 37.6 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-2.5 -2,-0.1 2,-0.5 -0.907 7.6-160.3-108.3 127.7 1.4 18.4 34.4 125 125 A L E -ad 9 103A 0 -23,-2.9 -21,-2.5 -2,-0.4 2,-0.7 -0.966 17.3-133.2-110.1 120.7 0.5 21.1 31.8 126 126 A N E + d 0 104A 1 -117,-2.6 10,-0.7 -2,-0.5 -21,-0.2 -0.596 24.5 177.4 -78.4 116.0 1.7 20.5 28.2 127 127 A A E S- 0 0 0 -23,-3.0 -22,-0.2 -2,-0.7 -1,-0.1 0.303 75.1 -42.2-100.9 13.3 3.3 23.6 26.7 128 128 A G E - d 0 105A 0 -24,-0.5 -22,-2.3 -118,-0.1 2,-0.5 -0.052 49.6-153.2 133.7 123.7 4.1 21.7 23.5 129 129 A D E > - d 0 106A 2 4,-1.3 3,-2.2 1,-0.2 4,-0.4 -0.868 59.6 -72.1-125.8 92.0 5.5 18.1 22.9 130 130 A G T 3 S- 0 0 0 -24,-2.7 -1,-0.2 -2,-0.5 37,-0.2 -0.267 102.9 -28.5 56.6-135.9 7.3 18.0 19.6 131 131 A S T 3 S+ 0 0 18 -24,-0.2 -1,-0.3 -3,-0.1 39,-0.1 0.257 123.4 84.5 -92.4 15.5 4.9 18.2 16.7 132 132 A N S < S- 0 0 51 -3,-2.2 2,-0.3 1,-0.2 39,-0.2 0.953 89.4 -7.1 -83.9 -79.3 2.0 16.6 18.5 133 133 A Q - 0 0 3 -4,-0.4 -4,-1.3 37,-0.1 -1,-0.2 -0.814 34.4-179.8-127.2 155.7 -0.2 18.8 20.7 134 134 A H > + 0 0 5 33,-0.6 4,-1.5 -2,-0.3 3,-0.4 -0.534 15.4 169.3-147.7 74.2 -0.3 22.4 22.0 135 135 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -8,-0.1 0.830 74.5 53.2 -67.3 -31.2 -3.5 22.7 24.2 136 136 A T H > S+ 0 0 2 -10,-0.7 4,-1.9 1,-0.2 5,-0.2 0.868 105.9 54.8 -78.1 -27.4 -2.8 26.1 25.7 137 137 A Q H > S+ 0 0 11 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.905 108.0 50.4 -61.2 -45.5 -2.3 27.7 22.3 138 138 A T H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.901 105.3 56.7 -61.2 -39.7 -5.8 26.3 21.3 139 139 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.946 111.9 41.6 -57.0 -46.1 -7.3 27.8 24.5 140 140 A L H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.833 113.5 53.1 -70.6 -35.9 -6.1 31.3 23.5 141 141 A D H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.918 110.4 47.3 -63.6 -46.4 -7.0 30.8 19.8 142 142 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.939 111.6 51.1 -60.2 -44.7 -10.6 29.8 20.8 143 143 A F H X S+ 0 0 13 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.926 113.0 46.6 -56.3 -45.3 -10.9 32.8 23.1 144 144 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.918 112.0 48.3 -64.6 -44.8 -9.7 35.0 20.3 145 145 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 6,-0.5 0.914 112.7 50.3 -62.0 -43.7 -12.1 33.5 17.6 146 146 A Q H X S+ 0 0 77 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.943 110.4 49.8 -60.6 -44.1 -14.9 33.9 20.0 147 147 A E H < S+ 0 0 92 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.810 118.6 35.5 -64.2 -38.1 -14.1 37.5 20.8 148 148 A T H < S+ 0 0 34 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.773 128.7 32.6 -89.7 -29.1 -13.8 38.6 17.1 149 149 A Q H < S- 0 0 23 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.582 96.6-127.9-101.8 -18.3 -16.6 36.5 15.6 150 150 A G S < S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.536 80.0 41.6 83.3 4.4 -19.1 36.3 18.5 151 151 A R - 0 0 100 -6,-0.5 -2,-0.2 -5,-0.1 -3,-0.1 -0.981 62.7-138.6-168.5 169.7 -19.4 32.5 18.4 152 152 A L S S+ 0 0 8 -2,-0.3 2,-0.3 -3,-0.1 3,-0.2 0.194 80.9 79.4-123.7 13.2 -17.5 29.2 18.0 153 153 A D S S+ 0 0 49 1,-0.2 28,-0.2 26,-0.1 29,-0.0 -0.805 87.3 17.7-120.4 156.5 -20.0 27.5 15.8 154 154 A N S S+ 0 0 102 26,-2.3 2,-0.3 -2,-0.3 28,-0.2 0.854 85.0 147.7 52.1 49.0 -20.8 27.6 12.1 155 155 A L - 0 0 0 -3,-0.2 28,-2.4 2,-0.0 2,-0.6 -0.824 48.7-133.0-114.5 152.1 -17.5 29.2 11.1 156 156 A H E -e 183 0B 49 -2,-0.3 67,-2.8 26,-0.2 68,-1.7 -0.931 31.9-176.7-100.6 109.7 -15.4 29.0 7.9 157 157 A V E -ef 184 224B 0 26,-2.6 28,-2.4 -2,-0.6 2,-0.4 -0.960 13.4-165.2-121.8 122.0 -11.7 28.4 8.9 158 158 A A E -ef 185 225B 1 66,-2.4 68,-2.8 -2,-0.5 2,-0.4 -0.857 3.3-165.0 -99.6 133.4 -8.7 28.2 6.7 159 159 A M E -ef 186 226B 0 26,-2.6 28,-2.6 -2,-0.4 2,-0.4 -0.993 14.8-171.6-119.6 126.0 -5.4 26.7 8.0 160 160 A V E +ef 187 227B 2 66,-2.5 68,-1.1 -2,-0.4 2,-0.5 -0.964 37.9 15.1-123.2 145.3 -2.3 27.4 5.8 161 161 A G S S+ 0 0 10 26,-2.4 2,-1.2 -2,-0.4 3,-0.2 -0.928 109.3 13.7 106.8-130.6 1.4 26.3 5.7 162 162 A D > + 0 0 0 -2,-0.5 4,-0.6 67,-0.2 31,-0.1 -0.752 60.5 159.2 -91.4 90.3 3.0 23.4 7.6 163 163 A L T 4 + 0 0 1 29,-1.5 30,-0.2 -2,-1.2 -1,-0.2 0.743 66.7 63.3 -83.7 -24.2 -0.0 21.3 8.8 164 164 A K T 4 S+ 0 0 78 28,-1.5 -1,-0.2 1,-0.2 29,-0.1 0.940 117.5 24.8 -65.5 -47.4 2.0 18.1 9.2 165 165 A Y T 4 S+ 0 0 28 27,-0.2 2,-1.4 1,-0.1 -1,-0.2 0.539 92.0 115.4 -98.7 1.3 4.3 19.4 11.9 166 166 A G X - 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0 0 3 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.374 48.7-131.3 -80.8 165.9 6.9 43.9 41.7 379 69 B S E -l 353 0D 29 -27,-2.0 -25,-2.5 -30,-0.2 2,-0.4 -0.783 17.7-146.8-108.7 162.4 7.5 40.7 39.8 380 70 B V E +l 354 0D 22 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.975 15.8 177.5-138.0 144.2 9.9 40.1 36.9 381 71 B V E +l 355 0D 6 -27,-2.1 -25,-2.6 -2,-0.4 2,-0.3 -0.913 33.7 79.0-131.5 158.3 10.0 38.0 33.7 382 72 B G E -l 356 0D 15 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.999 61.1 -75.6 153.1-147.3 12.5 37.8 30.9 383 73 B F E -l 357 0D 20 -27,-2.1 -25,-2.9 -2,-0.3 3,-0.1 -0.991 6.3-149.3-156.9 149.6 15.9 36.4 29.7 384 74 B S S S+ 0 0 43 -2,-0.3 2,-0.3 1,-0.2 -27,-0.1 0.409 92.8 22.6-104.7 2.1 19.6 37.1 30.2 385 75 B D - 0 0 48 -26,-0.1 3,-0.4 -24,-0.1 -1,-0.2 -0.977 69.3-134.6-157.4 156.9 20.5 35.9 26.7 386 76 B S S > S+ 0 0 34 -2,-0.3 3,-2.0 1,-0.2 6,-0.5 0.472 76.7 100.5 -93.2 -4.0 18.5 35.5 23.5 387 77 B A T 3 S+ 0 0 31 1,-0.3 -1,-0.2 5,-0.1 -336,-0.1 0.722 88.0 39.1 -54.6 -34.9 19.7 32.0 22.5 388 78 B N T 3 S+ 0 0 39 -3,-0.4 -336,-2.1 4,-0.1 -1,-0.3 0.212 97.0 96.4-104.0 18.6 16.6 30.1 23.8 389 79 B T S <> S- 0 0 6 -3,-2.0 4,-1.7 -338,-0.2 3,-0.4 -0.516 91.2-105.7 -89.8 173.0 14.0 32.7 22.6 390 80 B S H >>S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 6,-1.6 0.820 125.2 56.1 -67.4 -27.9 12.1 32.4 19.3 391 81 B L H 45S+ 0 0 46 4,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.857 108.0 49.9 -65.6 -35.8 14.4 35.2 18.0 392 82 B G H 45S+ 0 0 31 -6,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.798 131.4 9.9 -75.0 -30.1 17.3 33.0 18.9 393 83 B K H <5S+ 0 0 124 -4,-1.7 -2,-0.2 -7,-0.1 -3,-0.2 0.631 126.9 45.6-126.1 -18.4 16.1 29.8 17.2 394 84 B K T <5S- 0 0 28 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.403 105.5-105.8-112.6 5.7 13.1 30.3 14.9 395 85 B G < + 0 0 59 -5,-0.6 -4,-0.2 -4,-0.2 -3,-0.1 0.599 57.0 167.8 84.6 17.1 14.2 33.5 13.1 396 86 B E - 0 0 7 -6,-1.6 -1,-0.2 1,-0.1 -126,-0.1 -0.324 33.2-119.3 -67.3 145.1 11.9 36.0 14.8 397 87 B T > - 0 0 76 -128,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.296 17.0-121.5 -75.3 157.6 12.6 39.8 14.3 398 88 B L H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 113.3 57.0 -65.3 -40.7 13.4 42.1 17.2 399 89 B A H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 107.0 46.4 -55.7 -48.3 10.3 44.2 16.3 400 90 B D H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.870 109.1 57.6 -64.8 -35.1 7.9 41.2 16.6 401 91 B T H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.956 111.0 41.1 -56.3 -48.5 9.6 40.3 19.9 402 92 B I H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.904 109.2 60.2 -69.6 -38.4 8.8 43.7 21.4 403 93 B S H < S+ 0 0 16 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.923 112.6 37.2 -57.3 -43.0 5.3 43.8 19.9 404 94 B V H >< S+ 0 0 0 -4,-2.0 3,-1.8 2,-0.2 4,-0.3 0.915 113.7 53.1 -77.8 -41.7 4.3 40.6 21.8 405 95 B I H >X S+ 0 0 3 -4,-2.0 3,-2.1 1,-0.3 4,-1.5 0.905 101.2 64.3 -61.6 -30.9 6.1 41.2 25.2 406 96 B S T 3< S+ 0 0 21 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.694 94.2 59.2 -67.4 -15.4 4.4 44.6 25.3 407 97 B T T <4 S+ 0 0 52 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.516 110.6 43.6 -86.2 -4.5 1.0 42.8 25.6 408 98 B Y T <4 S+ 0 0 8 -3,-2.1 2,-0.2 -4,-0.3 -2,-0.2 0.780 106.1 49.6-104.0 -38.0 2.2 41.1 28.8 409 99 B V < - 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