==== 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 14-AUG-92 1RAF . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.P.KOSMAN,J.E.GOUAUX,W.N.LIPSCOMB . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 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 . 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 . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.0 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 2 3 4 0 4 2 2 0 2 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 6 5 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 . 0 0 5 2 5 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 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 80 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0-177.0 37.4 46.7 -8.7 2 2 A N > - 0 0 25 304,-2.7 3,-1.1 303,-0.3 305,-0.0 -0.353 360.0-103.2 -70.3 163.7 36.1 43.6 -6.8 3 3 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.868 120.4 44.1 -58.8 -35.6 33.8 44.6 -3.8 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.4 2,-0.1 302,-0.0 0.514 77.6 136.5 -92.4 -0.1 36.6 44.0 -1.3 5 5 A Y T < S- 0 0 54 -3,-1.1 298,-0.2 1,-0.3 299,-0.1 -0.210 86.4 -7.3 -49.7 127.1 39.4 45.7 -3.1 6 6 A Q T 3 S+ 0 0 97 297,-2.3 -1,-0.3 296,-0.2 2,-0.2 0.621 103.3 142.5 52.8 23.1 41.5 47.8 -0.6 7 7 A K < - 0 0 75 -3,-2.4 2,-0.2 295,-0.1 -1,-0.2 -0.580 54.0-118.3 -88.5 152.8 38.9 47.1 2.1 8 8 A H - 0 0 56 -2,-0.2 2,-0.7 115,-0.1 117,-0.2 -0.639 18.3-149.8 -89.2 142.6 39.6 46.5 5.8 9 9 A I B +a 125 0A 0 115,-2.0 117,-2.3 -2,-0.2 127,-0.1 -0.861 45.7 130.3-119.3 93.0 38.5 43.1 7.2 10 10 A I + 0 0 3 -2,-0.7 2,-0.4 1,-0.4 -1,-0.1 0.787 61.2 21.6-116.2 -40.7 37.7 43.6 10.8 11 11 A S > - 0 0 0 1,-0.1 3,-1.2 123,-0.1 -1,-0.4 -0.986 57.5-137.4-132.5 146.2 34.4 42.2 11.8 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.749 107.0 66.5 -70.7 -18.5 32.2 39.5 10.3 13 13 A N G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.762 92.9 59.7 -68.4 -31.1 29.3 41.8 11.0 14 14 A D G < S+ 0 0 80 -3,-1.2 2,-0.5 2,-0.1 -1,-0.3 0.226 93.1 76.7 -77.0 -1.4 30.7 44.2 8.5 15 15 A L S < S- 0 0 4 -3,-1.4 -6,-0.0 -4,-0.1 2,-0.0 -0.975 72.3-140.4-125.7 126.6 30.5 41.8 5.5 16 16 A S > - 0 0 53 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.171 33.9 -97.6 -69.0 172.6 27.2 40.9 3.7 17 17 A R H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 125.4 55.4 -64.0 -33.1 26.2 37.4 2.5 18 18 A D H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 106.8 48.2 -67.8 -40.9 27.4 38.4 -0.9 19 19 A D H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.964 111.3 51.2 -63.1 -44.7 30.9 39.3 0.3 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.882 111.9 47.9 -57.6 -36.8 31.1 36.1 2.3 21 21 A N H X S+ 0 0 55 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.3 0.902 107.3 55.5 -76.4 -31.2 30.1 34.2 -0.9 22 22 A L H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.914 109.2 47.7 -65.3 -42.7 32.7 36.1 -3.0 23 23 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.950 112.7 47.1 -64.2 -45.1 35.4 35.0 -0.7 24 24 A L H X S+ 0 0 3 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.775 111.1 52.3 -70.1 -30.9 34.3 31.4 -0.6 25 25 A A H X S+ 0 0 48 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.918 111.4 46.3 -64.3 -49.5 34.0 31.3 -4.4 26 26 A T H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 3,-0.5 0.946 108.0 56.3 -61.0 -44.7 37.5 32.7 -4.8 27 27 A A H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.813 105.1 52.6 -60.5 -28.5 39.0 30.3 -2.3 28 28 A A H X S+ 0 0 45 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.3 0.883 110.6 47.4 -75.9 -33.0 37.7 27.4 -4.3 29 29 A K H X S+ 0 0 68 -4,-1.5 4,-2.9 -3,-0.5 -2,-0.2 0.930 111.9 49.1 -70.5 -48.2 39.3 28.8 -7.4 30 30 A L H < S+ 0 0 1 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.841 111.1 50.8 -60.8 -33.2 42.7 29.3 -5.6 31 31 A K H < S+ 0 0 73 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.969 116.4 42.4 -67.2 -46.1 42.5 25.8 -4.3 32 32 A A H < S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.875 129.3 18.0 -61.7 -47.7 41.8 24.5 -7.8 33 33 A N S < S- 0 0 100 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.882 84.0-142.5-138.9 94.7 44.3 26.5 -9.9 34 34 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.242 8.9-159.6 -57.5 148.1 47.1 28.0 -7.9 35 35 A Q > + 0 0 58 30,-0.2 3,-1.8 -5,-0.1 4,-0.2 -0.525 14.2 175.0-131.9 73.7 48.5 31.5 -8.7 36 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.393 76.2 43.0 -62.6 -6.1 51.9 31.7 -7.0 37 37 A E T > S+ 0 0 137 1,-0.1 3,-1.2 3,-0.1 30,-0.1 0.142 76.9 111.3-129.7 22.2 53.1 35.1 -8.3 38 38 A L T < S+ 0 0 36 -3,-1.8 29,-0.2 1,-0.3 -1,-0.1 0.902 90.2 30.0 -61.9 -42.9 49.8 37.0 -7.8 39 39 A L T > S+ 0 0 0 27,-3.1 3,-2.4 -4,-0.2 30,-0.3 -0.057 84.7 155.4-109.7 32.8 51.2 39.2 -5.0 40 40 A K T < S+ 0 0 103 -3,-1.2 28,-0.2 1,-0.3 3,-0.1 -0.379 70.7 19.4 -58.6 138.9 54.7 39.1 -6.3 41 41 A H T 3 S+ 0 0 159 26,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.534 94.9 121.3 71.7 8.8 56.4 42.3 -5.0 42 42 A K < - 0 0 68 -3,-2.4 27,-2.7 25,-0.1 2,-0.5 -0.801 48.8-155.3 -94.5 146.4 53.9 42.9 -2.1 43 43 A V E -b 69 0A 49 -2,-0.3 57,-2.9 25,-0.2 58,-0.6 -0.996 10.3-167.8-117.5 119.6 55.4 43.0 1.5 44 44 A I E -bc 70 101A 0 25,-2.4 27,-1.9 -2,-0.5 2,-0.4 -0.846 14.5-137.3-101.7 145.7 52.8 42.1 4.1 45 45 A A E -bc 71 102A 3 56,-2.0 58,-2.3 -2,-0.3 2,-0.9 -0.913 6.6-156.5-102.0 129.9 53.6 42.7 7.8 46 46 A S E -bc 72 103A 0 25,-2.5 27,-2.3 -2,-0.4 2,-1.2 -0.803 16.9-178.5-110.9 86.4 52.5 39.9 10.3 47 47 A C E +bc 73 104A 1 56,-1.9 58,-1.6 -2,-0.9 2,-1.3 -0.668 5.5 175.1 -86.1 83.2 52.2 41.9 13.5 48 48 A F E + c 0 105A 0 25,-2.6 27,-0.3 -2,-1.2 58,-0.2 -0.680 10.4 170.8 -91.3 92.9 51.2 39.3 16.2 49 49 A F S S+ 0 0 24 56,-2.4 2,-0.4 -2,-1.3 57,-0.2 0.711 79.7 48.2 -71.5 -14.2 51.2 41.3 19.4 50 50 A E S S- 0 0 57 55,-0.9 -1,-0.2 -3,-0.2 2,-0.1 -0.996 98.8-119.3-121.8 126.7 49.7 38.1 20.8 51 51 A A + 0 0 46 24,-0.6 2,-0.2 -2,-0.4 23,-0.1 -0.481 41.8 158.0 -75.0 134.4 51.3 34.9 20.0 52 52 A S > - 0 0 20 -2,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.743 17.1-171.1-148.0 97.2 49.3 32.4 18.1 53 53 A T H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.956 82.6 46.8 -64.6 -47.3 51.4 29.9 16.3 54 54 A R H > S+ 0 0 144 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.791 117.9 43.7 -62.6 -32.7 48.8 28.0 14.2 55 55 A T H > S+ 0 0 12 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.868 114.3 49.9 -82.3 -33.8 47.2 31.3 13.0 56 56 A R H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 3,-0.5 0.998 113.3 45.1 -69.2 -51.5 50.4 33.0 12.4 57 57 A L H X S+ 0 0 84 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.798 110.4 53.2 -62.7 -31.7 51.8 30.1 10.3 58 58 A S H X S+ 0 0 16 -4,-1.1 4,-2.4 -5,-0.3 -1,-0.2 0.952 113.4 45.6 -66.6 -41.4 48.6 29.6 8.3 59 59 A F H X S+ 0 0 2 -4,-1.8 4,-2.3 -3,-0.5 -2,-0.2 0.923 112.4 47.1 -70.6 -48.8 48.7 33.3 7.4 60 60 A E H X S+ 0 0 35 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.877 112.1 51.6 -62.7 -38.8 52.4 33.5 6.5 61 61 A T H X S+ 0 0 56 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.936 110.3 50.5 -61.9 -45.9 52.0 30.3 4.4 62 62 A S H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.920 110.2 49.7 -52.6 -42.3 49.0 32.1 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.4 0.970 115.2 43.2 -63.5 -51.1 51.2 35.1 2.0 64 64 A H H ><5S+ 0 0 105 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.799 103.7 61.4 -70.9 -29.8 54.0 33.0 0.6 65 65 A R T 3<5S+ 0 0 167 -4,-2.7 -1,-0.3 1,-0.3 -30,-0.2 0.558 108.7 47.6 -71.9 -6.6 51.8 30.7 -1.6 66 66 A L T < 5S- 0 0 0 -3,-1.4 -27,-3.1 -4,-0.4 -1,-0.3 0.156 125.1-106.5-111.9 12.3 50.7 33.9 -3.5 67 67 A G T < 5 + 0 0 26 -3,-1.5 -26,-0.4 1,-0.2 -3,-0.2 0.481 68.9 143.8 85.6 6.7 54.3 35.0 -3.7 68 68 A A < - 0 0 3 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.2 -0.333 46.5-123.1 -83.4 162.3 54.4 37.8 -1.2 69 69 A S E -b 43 0A 63 -27,-2.7 -25,-2.4 -30,-0.3 2,-0.4 -0.601 25.8-147.9 -89.3 163.3 57.2 38.8 1.2 70 70 A V E +b 44 0A 35 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.997 22.3 169.8-141.1 131.8 56.7 38.9 5.0 71 71 A V E +b 45 0A 75 -27,-1.9 -25,-2.5 -2,-0.4 2,-0.3 -0.931 34.7 103.7-126.7 152.9 58.1 41.1 7.7 72 72 A G E -b 46 0A 46 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.985 44.9-129.4 168.8-160.4 56.5 40.9 11.2 73 73 A F E -b 47 0A 43 -27,-2.3 -25,-2.6 -2,-0.3 2,-0.3 -0.930 4.0-141.9-168.0 171.1 56.9 39.6 14.7 74 74 A S - 0 0 37 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.855 24.9-140.5-134.5 174.9 55.1 37.7 17.6 75 75 A D + 0 0 37 -27,-0.3 -24,-0.6 -2,-0.3 2,-0.4 -0.776 39.6 141.8-157.6 99.5 55.4 38.6 21.3 76 76 A S S S- 0 0 89 -2,-0.3 3,-0.1 -26,-0.1 -2,-0.1 -0.977 96.9 -25.4-121.8 132.1 55.7 36.8 24.5 77 77 A A S S+ 0 0 110 -2,-0.4 2,-0.2 1,-0.1 -2,-0.0 0.759 126.8 67.9 34.7 54.2 58.1 38.6 26.9 78 78 A N + 0 0 124 1,-0.2 -1,-0.1 0, 0.0 -3,-0.1 -0.778 52.6 67.3-161.1-169.4 60.0 40.2 24.0 79 79 A T - 0 0 59 -2,-0.2 2,-0.4 1,-0.1 4,-0.2 0.718 64.5-118.6 31.2 93.4 60.1 42.6 21.0 80 80 A S + 0 0 105 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.291 69.0 113.8 -22.1 -30.1 59.9 46.3 21.7 81 81 A L S S+ 0 0 60 -2,-0.4 2,-0.5 1,-0.2 7,-0.1 -0.437 89.7 9.5 -85.4 127.8 56.7 47.7 20.0 82 82 A G S > S+ 0 0 22 -2,-0.3 2,-1.7 5,-0.1 4,-1.1 -0.896 79.4 153.1 112.3 -76.9 54.2 48.9 22.3 83 83 A K T 4 S- 0 0 180 -2,-0.5 2,-0.3 -4,-0.2 -2,-0.1 -0.507 75.2 -59.9 60.5 -85.9 56.6 48.7 25.3 84 84 A K T 4 S+ 0 0 186 -2,-1.7 2,-1.1 3,-0.0 3,-0.1 -0.746 129.0 27.7 176.6 139.8 54.7 51.5 27.2 85 85 A G T 4 S+ 0 0 67 -2,-0.3 2,-1.0 1,-0.2 -2,-0.1 -0.174 92.5 103.0 85.6 -46.3 54.4 55.0 25.7 86 86 A E S < S- 0 0 70 -4,-1.1 -1,-0.2 -2,-1.1 2,-0.1 -0.586 70.5-147.2 -70.1 107.3 54.6 53.6 22.3 87 87 A T > - 0 0 33 -2,-1.0 4,-1.3 1,-0.1 3,-0.5 -0.369 18.6-122.6 -67.0 154.2 50.9 53.8 21.3 88 88 A L H >> S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 3,-1.2 0.985 114.4 60.0 -60.1 -49.1 49.4 51.2 19.0 89 89 A A H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.735 106.6 44.5 -46.5 -30.8 48.4 54.2 16.8 90 90 A D H 3> S+ 0 0 73 -3,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.734 110.2 53.8 -91.3 -21.4 52.1 55.3 16.4 91 91 A T H < S+ 0 0 70 -4,-1.0 3,-2.2 -3,-0.3 4,-0.3 0.950 116.3 45.8 -80.4 -49.6 54.9 54.0 11.3 95 95 A I H >X S+ 0 0 16 -4,-3.3 3,-2.2 1,-0.3 4,-1.7 0.854 102.2 66.0 -66.5 -26.9 54.4 50.4 10.0 96 96 A S T 3< S+ 0 0 17 -4,-3.7 -1,-0.3 1,-0.3 25,-0.2 0.456 95.2 58.6 -76.4 3.9 51.9 51.6 7.4 97 97 A T T <4 S+ 0 0 110 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.468 111.4 42.0 -95.6 -13.4 54.7 53.6 5.6 98 98 A Y T <4 S+ 0 0 163 -3,-2.2 -2,-0.2 -4,-0.3 2,-0.2 0.771 109.9 51.1 -98.4 -41.9 56.7 50.4 5.1 99 99 A V < - 0 0 7 -4,-1.7 -55,-0.2 1,-0.1 3,-0.1 -0.509 60.5-139.7-107.4 171.5 54.1 47.7 4.1 100 100 A D S S+ 0 0 66 -57,-2.9 2,-0.3 1,-0.3 -56,-0.2 0.579 90.3 8.1-100.8 -19.5 51.4 47.0 1.6 101 101 A A E -c 44 0A 0 -58,-0.6 -56,-2.0 21,-0.2 2,-0.5 -0.969 65.7-142.8-153.1 153.6 48.9 45.2 4.0 102 102 A I E -cd 45 124A 0 21,-2.3 23,-3.2 -2,-0.3 2,-0.5 -0.964 8.8-171.7-124.3 122.2 48.9 44.6 7.8 103 103 A V E +cd 46 125A 0 -58,-2.3 -56,-1.9 -2,-0.5 2,-0.4 -0.950 24.7 178.3-100.6 125.1 47.6 41.3 9.3 104 104 A M E -cd 47 126A 1 21,-2.5 23,-2.5 -2,-0.5 24,-0.4 -0.990 27.4-171.1-138.8 142.2 47.4 41.8 13.1 105 105 A R E +c 48 0A 28 -58,-1.6 -56,-2.4 -2,-0.4 -55,-0.9 -0.996 21.9 167.3-123.6 134.4 46.4 39.8 16.3 106 106 A H E - d 0 129A 18 22,-2.3 24,-1.6 -2,-0.4 5,-0.1 -0.982 40.1-122.9-147.2 145.5 46.3 41.8 19.5 107 107 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.491 86.7 73.7 -68.6 -7.7 44.8 41.1 23.0 108 108 A Q S > S- 0 0 55 22,-0.2 3,-1.2 23,-0.0 317,-0.2 -0.859 88.5-107.9-114.4 151.5 42.5 44.1 23.4 109 109 A E B 3 S+e 425 0B 10 315,-0.6 317,-1.4 -2,-0.3 318,-0.2 -0.423 100.2 20.9 -80.8 146.3 39.2 44.3 21.5 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-3.1 342,-0.2 -1,-0.2 0.542 80.0 126.1 75.5 6.1 39.0 46.8 18.7 111 111 A A H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -2,-0.1 0.942 77.2 49.5 -60.5 -38.5 42.8 47.0 18.2 112 112 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 111.8 48.3 -66.8 -39.3 42.3 46.1 14.6 113 113 A R H > S+ 0 0 36 2,-0.2 4,-0.6 338,-0.2 -2,-0.2 0.894 109.4 50.6 -67.5 -42.3 39.7 48.8 14.3 114 114 A L H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 4,-0.3 0.975 108.4 56.3 -54.9 -48.4 41.8 51.5 16.0 115 115 A A H >X S+ 0 0 0 -4,-2.5 3,-3.0 1,-0.3 4,-1.9 0.892 94.2 65.3 -48.0 -54.4 44.6 50.5 13.5 116 116 A T H 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.748 97.9 57.7 -38.8 -28.4 42.2 51.2 10.5 117 117 A E T << S+ 0 0 74 -3,-2.0 -1,-0.3 -4,-0.6 -2,-0.2 0.522 115.6 32.7 -90.0 -3.4 42.3 54.9 11.5 118 118 A F T <4 S+ 0 0 49 -3,-3.0 -2,-0.2 -4,-0.3 -1,-0.2 0.537 95.0 83.2-125.1 -16.5 46.1 55.1 11.3 119 119 A S S >< S- 0 0 1 -4,-1.9 3,-1.4 1,-0.2 2,-0.6 0.543 78.5-147.2 -73.0 -3.0 47.1 52.7 8.4 120 120 A G T 3 S- 0 0 64 1,-0.3 -1,-0.2 -4,-0.2 -23,-0.1 -0.569 71.8 -24.7 76.6-115.5 46.4 55.3 5.6 121 121 A N T 3 S+ 0 0 116 -2,-0.6 -1,-0.3 -25,-0.2 -2,-0.1 0.242 109.7 117.9-111.2 20.4 45.2 53.4 2.6 122 122 A V < - 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