==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (CARBAMOYL-P,ASPARTATE) 22-SEP-89 1AT1 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.GOUAUX,W.N.LIPSCOMB . 912 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 9.6 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 . 6 0.7 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 . 77 8.4 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 . 215 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 3 1 4 3 1 1 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 3 2 8 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 4 1 8 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 84 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 172.1 37.6 47.4 -9.1 2 2 A N > - 0 0 19 304,-1.5 3,-1.6 303,-0.2 305,-0.1 -0.177 360.0 -92.3 -76.4 169.5 36.2 44.3 -7.3 3 3 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.670 120.1 29.0 -54.7 -21.3 33.9 44.4 -4.2 4 4 A L T > S+ 0 0 1 298,-0.2 3,-1.4 302,-0.1 2,-0.3 0.164 76.1 137.7-127.4 17.7 36.8 44.1 -1.6 5 5 A Y T < S- 0 0 70 -3,-1.6 298,-0.2 1,-0.3 299,-0.2 -0.596 89.1 -3.3 -75.6 132.1 39.9 45.6 -3.2 6 6 A Q T 3 S+ 0 0 72 297,-2.5 -1,-0.3 -2,-0.3 2,-0.2 0.432 99.7 141.3 61.8 9.1 41.7 47.8 -0.6 7 7 A K < - 0 0 75 -3,-1.4 -1,-0.2 295,-0.1 2,-0.2 -0.586 53.2-128.7 -79.4 130.9 38.9 47.0 1.9 8 8 A H - 0 0 62 -2,-0.2 2,-0.6 115,-0.1 117,-0.2 -0.617 15.0-145.2 -72.4 146.6 40.1 46.4 5.5 9 9 A I B +a 125 0A 2 115,-2.0 117,-2.8 -2,-0.2 127,-0.2 -0.867 45.3 136.5-117.0 96.3 38.6 43.1 6.9 10 10 A I + 0 0 4 -2,-0.6 2,-0.3 1,-0.3 119,-0.1 0.829 63.6 12.7-106.9 -53.1 38.0 43.7 10.7 11 11 A S > - 0 0 1 1,-0.1 3,-1.5 123,-0.1 -1,-0.3 -0.981 56.3-132.9-130.8 150.2 34.5 42.2 11.7 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.808 106.6 71.9 -66.4 -24.9 32.0 39.8 10.0 13 13 A N G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.759 94.1 52.8 -66.0 -21.5 29.5 42.4 11.1 14 14 A D G < S+ 0 0 76 -3,-1.5 2,-0.3 2,-0.0 -1,-0.3 0.307 98.0 77.6 -91.8 9.8 30.8 44.7 8.4 15 15 A L < - 0 0 18 -3,-2.1 2,-0.2 -4,-0.0 -6,-0.0 -0.879 69.3-134.3-117.1 156.5 30.5 42.1 5.4 16 16 A S > - 0 0 45 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.568 32.7-103.1 -93.3 175.9 27.4 41.1 3.3 17 17 A R H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.860 125.4 58.2 -59.8 -31.5 26.3 37.6 2.3 18 18 A D H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 101.5 47.6 -72.9 -42.8 27.7 38.8 -1.0 19 19 A D H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 114.1 50.7 -66.3 -34.0 31.3 39.6 0.1 20 20 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.923 110.4 48.6 -65.1 -46.5 31.4 36.2 1.8 21 21 A N H X S+ 0 0 61 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 108.8 52.2 -65.1 -39.0 30.2 34.5 -1.3 22 22 A L H X S+ 0 0 26 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.992 109.7 50.9 -56.7 -54.9 32.7 36.2 -3.5 23 23 A V H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.852 111.8 46.2 -55.5 -38.9 35.5 35.1 -1.1 24 24 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.918 111.7 50.7 -75.4 -36.2 34.4 31.5 -1.2 25 25 A A H X S+ 0 0 48 -4,-2.4 4,-2.2 -3,-0.3 -2,-0.2 0.918 111.6 48.6 -60.3 -44.4 34.0 31.4 -5.1 26 26 A T H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.889 110.1 51.3 -67.2 -39.2 37.4 32.9 -5.5 27 27 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.936 108.1 53.0 -62.2 -39.1 38.8 30.2 -3.0 28 28 A A H X S+ 0 0 55 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.889 113.7 43.5 -60.5 -43.5 37.1 27.5 -5.1 29 29 A K H >X S+ 0 0 61 -4,-2.2 4,-3.3 1,-0.2 3,-0.5 0.978 112.9 50.4 -63.5 -55.4 38.8 28.9 -8.2 30 30 A L H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.708 106.1 55.2 -60.0 -29.4 42.2 29.4 -6.6 31 31 A K H 3< S+ 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.886 114.7 41.1 -69.8 -39.4 42.2 25.8 -5.2 32 32 A A H << S+ 0 0 83 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.929 128.7 26.8 -72.8 -48.1 41.7 24.5 -8.7 33 33 A N S < S- 0 0 100 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.839 80.4-144.9-134.1 99.7 44.0 27.0 -10.5 34 34 A P - 0 0 74 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.039 1.1-151.6 -43.2 152.9 47.0 28.4 -8.6 35 35 A Q > + 0 0 37 30,-0.4 3,-3.1 -5,-0.1 4,-0.3 -0.453 17.8 176.2-134.4 64.3 48.1 31.9 -9.3 36 36 A P T 3 S+ 0 0 80 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.607 82.0 32.7 -40.9 -34.4 51.9 32.0 -8.5 37 37 A E T > S+ 0 0 121 1,-0.1 3,-2.1 2,-0.1 29,-0.1 0.365 81.6 117.5-109.6 7.8 52.7 35.5 -9.4 38 38 A L T < S+ 0 0 33 -3,-3.1 29,-0.2 1,-0.3 -1,-0.1 0.753 94.9 20.0 -51.3 -29.6 49.3 37.0 -8.4 39 39 A L T > S+ 0 0 0 27,-3.3 3,-3.0 -4,-0.3 -1,-0.3 0.141 85.6 152.7-128.3 19.5 51.0 39.2 -5.8 40 40 A K T < S+ 0 0 78 -3,-2.1 28,-0.2 1,-0.3 3,-0.1 -0.332 73.9 24.8 -52.7 119.7 54.5 39.1 -7.2 41 41 A H T 3 S+ 0 0 168 26,-0.8 -1,-0.3 1,-0.4 2,-0.3 0.327 95.4 117.0 96.3 1.3 56.0 42.5 -6.0 42 42 A K < - 0 0 48 -3,-3.0 27,-2.6 25,-0.2 2,-0.4 -0.668 47.9-159.5 -88.6 142.0 53.7 42.9 -3.0 43 43 A V E -b 69 0A 42 -2,-0.3 57,-3.6 25,-0.2 58,-0.7 -0.989 10.6-166.9-117.3 126.4 55.2 43.0 0.6 44 44 A I E -bc 70 101A 0 25,-3.2 27,-2.1 -2,-0.4 2,-0.3 -0.909 17.8-130.0-110.9 132.7 52.7 42.2 3.6 45 45 A A E -bc 71 102A 1 56,-2.6 58,-2.2 -2,-0.4 2,-0.5 -0.603 13.1-161.4 -72.7 134.9 53.3 42.7 7.3 46 46 A S E +bc 72 103A 0 25,-2.2 27,-2.0 -2,-0.3 2,-0.8 -0.874 19.0 178.0-118.2 96.9 52.5 39.7 9.5 47 47 A C E +bc 73 104A 3 56,-3.2 58,-3.0 -2,-0.5 2,-0.8 -0.758 8.6 173.3-107.9 92.8 52.1 41.3 13.0 48 48 A F E + c 0 105A 1 25,-2.3 58,-0.2 -2,-0.8 4,-0.1 -0.873 16.0 170.2-109.9 113.9 51.2 39.0 15.8 49 49 A F S S+ 0 0 19 56,-2.6 2,-0.2 -2,-0.8 -1,-0.1 0.009 77.6 51.4 -92.7 12.0 51.3 40.5 19.2 50 50 A E S S- 0 0 37 56,-0.1 2,-0.2 55,-0.1 55,-0.1 -0.670 100.6 -79.7-137.0-167.2 49.6 37.2 20.3 51 51 A A + 0 0 75 -2,-0.2 2,-0.3 24,-0.0 -2,-0.1 -0.605 50.0 161.6-104.1 159.8 50.4 33.5 19.8 52 52 A S + 0 0 31 -2,-0.2 -4,-0.0 3,-0.1 53,-0.0 -0.894 31.3 164.1-172.3 146.8 49.7 31.4 16.7 53 53 A T S > S+ 0 0 83 -2,-0.3 4,-2.2 3,-0.1 5,-0.3 0.464 91.2 35.2-117.5 -70.5 50.4 28.4 14.8 54 54 A R H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.902 120.5 40.1 -53.5 -57.1 47.4 28.3 12.3 55 55 A T H > S+ 0 0 4 3,-0.2 4,-2.0 2,-0.2 5,-0.3 0.941 119.2 44.9 -70.7 -39.7 46.7 31.8 11.5 56 56 A R H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.988 119.9 38.2 -66.9 -56.6 50.3 33.0 11.2 57 57 A L H X S+ 0 0 83 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.837 116.5 49.7 -66.9 -39.2 51.7 30.1 9.2 58 58 A S H X S+ 0 0 14 -4,-2.2 4,-3.0 -5,-0.3 3,-0.5 0.988 115.6 45.9 -62.0 -53.0 48.6 29.6 6.9 59 59 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.4 -2,-0.2 0.901 116.4 43.4 -59.8 -43.4 48.6 33.5 6.2 60 60 A Q H X S+ 0 0 35 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.3 0.793 116.1 49.0 -70.5 -28.8 52.4 33.7 5.6 61 61 A T H X S+ 0 0 52 -4,-1.8 4,-2.1 -3,-0.5 -2,-0.2 0.940 111.3 49.9 -74.1 -45.1 52.2 30.4 3.5 62 62 A S H < S+ 0 0 0 -4,-3.0 4,-0.4 2,-0.2 3,-0.3 0.967 110.9 48.4 -54.5 -55.0 49.3 31.8 1.4 63 63 A M H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.3 3,-1.0 0.870 113.3 49.4 -46.3 -46.0 51.2 35.1 0.7 64 64 A H H ><5S+ 0 0 110 -4,-1.2 3,-1.3 1,-0.2 -1,-0.3 0.863 105.1 56.9 -63.5 -39.1 54.2 33.0 -0.3 65 65 A R T 3<5S+ 0 0 171 -4,-2.1 -30,-0.4 -3,-0.3 -1,-0.2 0.395 109.0 47.1 -79.7 6.2 52.0 30.9 -2.6 66 66 A L T < 5S- 0 0 1 -3,-1.0 -27,-3.3 -4,-0.4 -26,-0.3 0.129 124.2 -96.3-123.5 18.8 50.9 34.0 -4.5 67 67 A G T < 5S+ 0 0 19 -3,-1.3 -26,-0.8 1,-0.2 -3,-0.2 0.540 77.1 136.0 85.4 10.1 54.4 35.6 -5.0 68 68 A A < - 0 0 5 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.479 49.7-124.7 -97.3 160.4 54.5 38.0 -2.0 69 69 A S E -b 43 0A 62 -27,-2.6 -25,-3.2 -30,-0.2 2,-0.4 -0.792 18.5-153.4 -97.7 148.3 57.0 39.0 0.6 70 70 A V E +b 44 0A 32 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.945 15.9 173.2-120.2 130.0 56.3 38.8 4.3 71 71 A V E +b 45 0A 75 -27,-2.1 -25,-2.2 -2,-0.4 2,-0.3 -0.881 33.0 80.4-124.6 160.2 58.0 41.0 6.9 72 72 A G E -b 46 0A 58 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.982 61.1 -71.4 156.5-148.0 57.0 41.1 10.7 73 73 A F E -b 47 0A 37 -27,-2.0 -25,-2.3 -2,-0.3 3,-0.1 -0.987 4.6-160.3-155.6 141.0 57.0 39.6 14.2 74 74 A S S S+ 0 0 71 -2,-0.3 2,-0.3 -27,-0.2 -24,-0.1 0.535 87.8 30.8 -96.6 -7.7 55.6 36.7 16.1 75 75 A D - 0 0 89 -26,-0.1 3,-0.3 -24,-0.1 -1,-0.1 -0.980 66.0-140.9-146.4 151.6 56.1 38.2 19.4 76 76 A S S > S+ 0 0 40 -2,-0.3 3,-1.6 1,-0.2 6,-0.3 0.522 78.7 96.7 -95.0 -5.4 56.1 41.8 20.7 77 77 A A T 3 S+ 0 0 35 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.844 91.9 36.1 -57.5 -36.0 59.0 41.3 23.1 78 78 A N T 3 S+ 0 0 131 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.204 95.1 92.6-109.2 25.8 61.5 42.7 20.8 79 79 A T S <> S- 0 0 28 -3,-1.6 4,-1.0 1,-0.1 5,-0.2 -0.189 87.7-109.5 -91.6-165.8 59.6 45.5 18.9 80 80 A S H >>S+ 0 0 50 2,-0.2 6,-1.8 3,-0.2 4,-1.0 0.638 124.7 59.8-102.7 -10.0 59.9 49.0 20.3 81 81 A L H 45S+ 0 0 44 4,-0.3 4,-0.2 3,-0.2 -1,-0.1 0.900 110.0 49.0 -65.1 -39.6 56.2 48.7 21.4 82 82 A G H 45S+ 0 0 30 -6,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.826 134.4 1.3 -72.6 -39.6 57.8 45.8 23.3 83 83 A K H <5S+ 0 0 138 -4,-1.0 -3,-0.2 -7,-0.1 -2,-0.1 0.605 129.2 49.7-128.8 -17.2 60.8 47.5 25.0 84 84 A K T <5S- 0 0 183 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.553 105.9-115.3-102.0 -1.4 61.0 51.2 24.1 85 85 A G < + 0 0 66 -5,-1.0 -4,-0.3 -4,-0.2 -3,-0.1 0.726 50.8 165.8 84.2 30.2 57.4 51.8 25.0 86 86 A E - 0 0 57 -6,-1.8 2,-0.2 1,-0.1 -1,-0.2 -0.313 34.1-114.0 -83.6 159.3 55.5 52.8 21.8 87 87 A T > - 0 0 47 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.522 21.9-120.3 -81.2 159.7 51.8 53.0 21.2 88 88 A L H > S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.913 113.6 64.1 -61.9 -43.9 50.0 50.7 18.7 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.843 106.4 41.0 -51.2 -43.6 49.0 53.8 16.9 90 90 A D H > S+ 0 0 87 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.902 111.0 55.8 -80.9 -33.2 52.6 54.7 16.1 91 91 A T H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.963 113.9 42.7 -50.9 -52.0 53.7 51.0 15.3 92 92 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.883 111.2 55.8 -59.5 -51.5 50.8 51.0 12.7 93 93 A S H X S+ 0 0 40 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.906 114.1 38.1 -53.1 -42.7 51.7 54.5 11.5 94 94 A V H >< S+ 0 0 58 -4,-2.6 3,-0.7 2,-0.2 -2,-0.2 0.907 114.8 53.6 -79.2 -28.9 55.3 53.6 10.7 95 95 A I H >X S+ 0 0 27 -4,-2.5 3,-1.7 -5,-0.3 4,-1.2 0.875 100.1 63.3 -77.4 -24.8 54.5 50.2 9.3 96 96 A S H 3< S+ 0 0 19 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.860 93.8 62.3 -61.3 -30.8 52.0 51.7 7.0 97 97 A T T << S+ 0 0 107 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.396 112.8 34.3 -78.8 13.3 54.8 53.5 5.3 98 98 A Y T <4 S+ 0 0 156 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.719 106.0 45.6-133.1 -38.2 56.4 50.3 4.2 99 99 A V < - 0 0 7 -4,-1.2 -1,-0.2 -3,-0.1 -55,-0.2 -0.752 66.1-128.5-118.2 162.3 54.3 47.3 3.3 100 100 A D S S+ 0 0 73 -57,-3.6 2,-0.3 -2,-0.3 -56,-0.2 0.713 89.9 14.9 -92.9 -22.9 51.2 47.0 1.2 101 101 A A E -c 44 0A 1 -58,-0.7 -56,-2.6 21,-0.2 2,-0.4 -0.980 66.8-143.4-145.7 154.9 48.9 45.2 3.6 102 102 A I E -cd 45 124A 0 21,-2.8 23,-2.5 -2,-0.3 2,-0.5 -0.984 7.6-168.2-113.9 116.8 49.0 44.6 7.4 103 103 A V E -cd 46 125A 0 -58,-2.2 -56,-3.2 -2,-0.4 2,-0.4 -0.924 22.6-174.4-100.0 129.1 47.8 41.3 8.9 104 104 A M E -cd 47 126A 2 21,-2.2 23,-2.8 -2,-0.5 24,-0.6 -0.975 22.5-167.8-134.9 131.6 47.6 41.8 12.7 105 105 A R E +cd 48 128A 14 -58,-3.0 -56,-2.6 -2,-0.4 24,-0.2 -0.972 22.3 174.9-108.2 133.4 46.9 39.6 15.8 106 106 A H E - d 0 129A 15 22,-2.5 24,-3.0 -2,-0.4 -56,-0.1 -0.996 39.2-138.9-148.8 147.5 46.3 41.3 19.1 107 107 A P S S+ 0 0 44 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.598 86.4 72.1 -72.4 -18.9 45.3 40.6 22.8 108 108 A Q S > S- 0 0 49 22,-0.2 3,-1.6 23,-0.0 22,-0.2 -0.861 87.3-118.4 -99.9 129.2 43.0 43.7 23.2 109 109 A E B 3 S+e 418 0B 7 308,-1.3 310,-2.4 -2,-0.5 336,-0.3 -0.381 100.4 33.1 -64.8 134.8 39.6 43.7 21.4 110 110 A G T 3> S+ 0 0 0 334,-0.3 4,-2.5 308,-0.2 -1,-0.2 0.404 76.7 122.4 100.6 1.8 39.5 46.6 19.0 111 111 A A H <> S+ 0 0 1 -3,-1.6 4,-2.0 1,-0.2 -2,-0.1 0.890 76.7 47.1 -62.7 -34.6 43.2 46.6 18.0 112 112 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.962 111.1 49.2 -74.6 -46.8 42.5 46.2 14.4 113 113 A R H > S+ 0 0 34 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.945 112.4 50.9 -57.4 -43.6 39.8 48.9 14.2 114 114 A L H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.916 107.4 55.0 -57.3 -44.1 42.3 51.1 16.0 115 115 A A H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-1.0 0.842 99.1 59.3 -64.7 -31.2 44.9 50.1 13.3 116 116 A T H 3< S+ 0 0 28 -4,-1.9 3,-0.5 -3,-0.4 4,-0.4 0.902 95.5 62.9 -68.9 -32.9 42.7 51.2 10.5 117 117 A E H 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.775 119.8 27.0 -55.9 -26.3 42.6 54.9 11.8 118 118 A F H << S+ 0 0 59 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.521 96.3 85.8-114.4 -7.2 46.4 54.9 11.3 119 119 A S S >< S- 0 0 0 -4,-1.5 3,-2.0 -3,-0.5 -2,-0.1 0.551 76.2-154.5 -79.1 -1.4 47.1 52.4 8.4 120 120 A G T 3 - 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