==== 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 1RAB . 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) . 42088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 9.9 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 . 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 . 84 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 22.9 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 2 3 3 0 5 2 2 0 1 1 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 4 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 PARALLEL BRIDGES PER LADDER . 0 0 4 2 5 3 0 1 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 0.000 360.0 360.0 360.0-168.2 37.1 46.8 -8.8 2 2 A N > - 0 0 23 304,-2.8 3,-0.9 303,-0.2 305,-0.0 -0.435 360.0-110.6 -70.8 156.2 36.1 43.7 -6.9 3 3 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.851 115.5 44.4 -61.7 -31.5 33.9 44.8 -3.9 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.5 2,-0.1 302,-0.0 0.597 80.0 137.5 -90.5 -4.3 36.4 44.0 -1.2 5 5 A Y T < S- 0 0 51 -3,-0.9 298,-0.2 1,-0.3 299,-0.1 -0.163 83.6 -8.2 -53.1 121.0 39.3 45.5 -3.1 6 6 A Q T 3 S+ 0 0 83 297,-1.2 -1,-0.3 296,-0.3 2,-0.3 0.645 101.7 141.7 62.7 27.6 41.4 47.5 -0.6 7 7 A K < - 0 0 77 -3,-2.5 -1,-0.3 295,-0.1 2,-0.2 -0.655 54.7-114.1 -95.4 149.7 38.9 47.1 2.2 8 8 A H - 0 0 55 -2,-0.3 2,-0.7 115,-0.1 3,-0.2 -0.573 20.3-149.9 -81.7 140.5 39.6 46.5 5.9 9 9 A I B +a 125 0A 0 115,-1.9 117,-2.5 -2,-0.2 127,-0.1 -0.816 45.0 132.6-120.9 88.0 38.6 43.1 7.2 10 10 A I + 0 0 3 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.810 61.7 15.0-110.8 -38.5 37.7 43.6 10.8 11 11 A S > - 0 0 0 -3,-0.2 3,-1.3 1,-0.1 -1,-0.3 -0.995 55.7-132.0-141.7 147.1 34.4 42.1 11.7 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.824 107.1 68.6 -61.4 -29.2 32.0 39.5 10.3 13 13 A N G 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 158,-0.0 0.692 96.2 53.4 -61.4 -26.1 29.2 42.0 11.0 14 14 A D G < S+ 0 0 75 -3,-1.3 2,-0.5 2,-0.1 -1,-0.3 0.296 94.3 81.4 -86.2 -6.8 30.7 44.3 8.3 15 15 A L S < S- 0 0 4 -3,-2.2 2,-0.1 -4,-0.1 -6,-0.0 -0.935 71.2-142.9-112.3 129.7 30.6 41.6 5.5 16 16 A S > - 0 0 52 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.283 32.0 -98.4 -75.6 173.6 27.3 40.9 3.7 17 17 A R H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.961 127.7 50.7 -57.8 -47.7 26.1 37.5 2.5 18 18 A D H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 106.4 52.8 -63.1 -43.4 27.4 38.4 -0.9 19 19 A D H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.955 110.0 49.9 -60.3 -40.4 30.8 39.4 0.4 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.865 111.7 48.5 -62.4 -35.1 31.1 36.0 2.3 21 21 A N H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.897 107.7 54.4 -76.1 -33.1 30.1 34.2 -1.0 22 22 A L H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 109.9 47.4 -66.4 -44.5 32.6 36.1 -3.0 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.961 114.1 46.5 -60.1 -46.3 35.4 35.0 -0.7 24 24 A L H X S+ 0 0 2 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.789 111.3 52.4 -66.4 -33.1 34.3 31.4 -0.7 25 25 A A H X S+ 0 0 49 -4,-2.6 4,-1.4 2,-0.2 3,-0.3 0.953 112.6 44.3 -64.4 -55.1 34.0 31.4 -4.4 26 26 A T H >X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.935 110.4 55.0 -55.3 -45.5 37.5 32.8 -4.9 27 27 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.840 104.1 53.4 -64.7 -32.6 39.0 30.4 -2.3 28 28 A A H 3X S+ 0 0 47 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.3 0.861 112.0 47.5 -67.7 -31.2 37.6 27.4 -4.1 29 29 A K H + 0 0 57 30,-0.2 3,-1.5 -5,-0.1 -5,-0.0 -0.529 13.7 176.5-134.6 81.7 48.4 31.4 -8.6 36 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.324 75.8 42.5 -63.2 -10.0 51.9 31.7 -7.1 37 37 A E T > S+ 0 0 136 1,-0.1 3,-1.3 3,-0.1 30,-0.1 0.140 77.6 112.0-129.1 24.2 53.1 35.1 -8.4 38 38 A L T < S+ 0 0 34 -3,-1.5 29,-0.2 1,-0.3 -1,-0.1 0.876 88.7 31.6 -63.9 -40.1 49.9 37.0 -7.8 39 39 A L T > S+ 0 0 0 27,-3.2 3,-2.3 24,-0.1 30,-0.3 0.026 83.9 156.0-111.6 31.7 51.3 39.1 -5.0 40 40 A K T < S+ 0 0 101 -3,-1.3 28,-0.1 1,-0.3 3,-0.1 -0.321 71.4 19.2 -53.2 134.0 54.8 39.2 -6.4 41 41 A H T 3 S+ 0 0 166 26,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.520 95.4 123.4 76.5 9.0 56.5 42.4 -5.0 42 42 A K < - 0 0 63 -3,-2.3 27,-2.9 25,-0.2 2,-0.5 -0.795 47.5-155.7 -96.0 142.7 54.0 42.9 -2.1 43 43 A V E -b 69 0A 49 -2,-0.3 57,-2.9 25,-0.2 58,-0.7 -0.993 10.9-169.6-114.9 118.9 55.4 43.0 1.5 44 44 A I E -bc 70 101A 0 25,-2.4 27,-1.7 -2,-0.5 2,-0.5 -0.839 16.3-135.5 -98.3 142.0 52.7 42.1 4.0 45 45 A A E -bc 71 102A 3 56,-2.1 58,-2.2 -2,-0.4 2,-0.9 -0.893 7.2-156.3-100.2 127.6 53.5 42.7 7.8 46 46 A S E +bc 72 103A 0 25,-2.8 27,-2.6 -2,-0.5 2,-1.3 -0.718 18.0 177.5-107.6 83.4 52.6 39.9 10.3 47 47 A C E +bc 73 104A 1 56,-1.7 58,-1.7 -2,-0.9 2,-1.3 -0.644 3.9 174.9 -87.7 86.0 52.2 41.8 13.5 48 48 A F E +bc 74 105A 0 25,-2.2 27,-0.8 -2,-1.3 58,-0.1 -0.645 8.3 172.3 -93.6 88.2 51.2 39.3 16.1 49 49 A F S S+ 0 0 18 56,-1.7 2,-0.4 -2,-1.3 57,-0.2 0.643 79.4 45.3 -67.3 -9.0 51.2 41.3 19.3 50 50 A E S S- 0 0 60 55,-0.7 -1,-0.2 -3,-0.1 26,-0.1 -0.989 99.8-118.7-135.2 121.7 49.7 38.1 20.8 51 51 A A + 0 0 40 -2,-0.4 2,-0.1 24,-0.3 23,-0.1 -0.318 41.5 157.7 -70.9 145.1 51.4 34.9 19.9 52 52 A S > - 0 0 21 1,-0.1 4,-2.4 -4,-0.1 3,-0.4 -0.606 17.8-170.0-160.9 91.8 49.5 32.3 18.1 53 53 A T H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.950 84.0 50.1 -59.2 -42.9 51.7 29.9 16.3 54 54 A R H > S+ 0 0 138 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.758 115.8 40.5 -65.2 -35.3 48.9 28.1 14.4 55 55 A T H > S+ 0 0 11 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.794 115.1 53.7 -82.1 -34.3 47.2 31.3 13.0 56 56 A R H X S+ 0 0 58 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.996 110.0 45.3 -68.3 -51.6 50.5 32.9 12.4 57 57 A L H X S+ 0 0 84 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.828 110.8 53.4 -62.1 -33.5 51.9 30.0 10.3 58 58 A S H X S+ 0 0 14 -4,-0.9 4,-2.1 -5,-0.3 -1,-0.3 0.924 112.6 44.8 -66.9 -38.6 48.6 29.7 8.3 59 59 A F H X S+ 0 0 1 -4,-1.8 4,-2.6 -3,-0.5 -2,-0.2 0.947 114.0 47.3 -70.7 -47.1 48.7 33.4 7.3 60 60 A E H X S+ 0 0 37 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.912 111.5 50.5 -64.8 -41.4 52.4 33.5 6.5 61 61 A T H X S+ 0 0 55 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.923 111.4 51.5 -60.8 -40.8 52.0 30.3 4.3 62 62 A S H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.936 109.3 48.5 -58.3 -42.3 49.1 32.1 2.7 63 63 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-1.2 0.961 115.4 45.6 -63.9 -44.8 51.2 35.1 2.0 64 64 A H H ><5S+ 0 0 105 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.820 102.9 59.9 -74.4 -26.7 53.9 32.9 0.6 65 65 A R H 3<5S+ 0 0 162 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.597 108.7 48.2 -75.7 -10.3 51.8 30.6 -1.6 66 66 A L T <<5S- 0 0 0 -3,-1.2 -27,-3.2 -4,-0.6 -1,-0.3 0.097 124.0-108.0-108.0 13.9 50.7 33.8 -3.5 67 67 A G T < 5 + 0 0 31 -3,-1.5 -26,-0.4 1,-0.2 -3,-0.2 0.512 67.7 146.9 80.1 8.7 54.3 34.9 -3.7 68 68 A A < - 0 0 3 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.2 -0.313 44.9-123.6 -79.9 160.4 54.2 37.8 -1.2 69 69 A S E -b 43 0A 68 -27,-2.9 -25,-2.4 -30,-0.3 2,-0.4 -0.672 25.6-148.2 -92.8 161.6 57.1 38.8 1.0 70 70 A V E +b 44 0A 37 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.994 23.6 167.2-139.9 131.8 56.7 38.9 4.8 71 71 A V E +b 45 0A 76 -27,-1.7 -25,-2.8 -2,-0.4 2,-0.3 -0.907 35.2 100.6-127.2 157.3 58.2 41.0 7.7 72 72 A G E -b 46 0A 45 -2,-0.3 -25,-0.2 -27,-0.3 2,-0.2 -0.994 45.1-128.6 164.6-158.3 56.6 41.0 11.2 73 73 A F E -b 47 0A 51 -27,-2.6 -25,-2.2 -2,-0.3 2,-0.3 -0.925 6.2-134.8-165.2-178.2 56.9 39.6 14.7 74 74 A S E -b 48 0A 32 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.920 21.9-147.7-142.8 158.5 55.1 37.8 17.7 75 75 A D + 0 0 43 -27,-0.8 2,-0.5 -2,-0.3 -24,-0.3 -0.665 38.0 143.4-147.3 87.8 55.4 38.9 21.3 76 76 A S S S- 0 0 81 -2,-0.4 3,-0.1 -26,-0.1 -2,-0.1 -0.995 98.4 -27.0-106.1 125.0 55.4 36.7 24.2 77 77 A A S S+ 0 0 105 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 0.704 125.7 76.2 44.8 37.3 58.0 38.5 26.7 78 78 A N + 0 0 122 1,-0.2 -1,-0.1 0, 0.0 -3,-0.1 -0.548 56.4 44.0-147.4-160.7 60.0 40.0 23.8 79 79 A T - 0 0 85 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.481 68.8-112.1 -6.6 113.8 60.5 42.6 21.0 80 80 A S > + 0 0 84 2,-0.1 3,-0.8 3,-0.0 -1,-0.1 0.133 64.9 116.2 -36.0 -13.7 59.7 46.2 21.8 81 81 A L T 3 S+ 0 0 63 -2,-0.6 7,-0.1 1,-0.2 6,-0.0 -0.395 83.5 20.8 -88.0 151.2 56.7 47.8 19.9 82 82 A G T 3 S+ 0 0 27 5,-0.2 2,-0.5 -2,-0.1 3,-0.3 -0.220 86.2 161.9 87.6 -36.1 53.6 49.0 21.7 83 83 A K < - 0 0 168 -3,-0.8 2,-0.2 1,-0.2 -2,-0.1 0.055 63.8 -79.5 34.8 -75.8 56.1 49.1 24.8 84 84 A K S S+ 0 0 200 -2,-0.5 2,-0.3 2,-0.1 -1,-0.2 -0.052 130.1 38.6 130.4 100.6 54.2 51.4 27.2 85 85 A G S S+ 0 0 73 -3,-0.3 2,-0.5 1,-0.2 -2,-0.1 -0.723 97.9 83.4 131.0 -68.6 55.0 54.7 25.8 86 86 A E S S- 0 0 65 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.407 78.6-142.0 -59.1 107.9 54.7 53.7 22.2 87 87 A T > - 0 0 32 -2,-0.5 4,-1.6 1,-0.1 3,-0.5 -0.285 17.3-120.9 -65.2 161.1 50.9 53.9 21.3 88 88 A L H >> S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.975 115.5 60.9 -62.4 -42.3 49.4 51.2 19.0 89 89 A A H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.731 105.9 43.2 -54.6 -31.7 48.5 54.2 16.9 90 90 A D H 3> S+ 0 0 74 -3,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.764 109.3 56.1 -89.5 -24.1 52.1 55.2 16.4 91 91 A T H < S+ 0 0 64 -4,-1.7 3,-1.9 -3,-0.4 4,-0.3 0.972 115.9 46.3 -77.7 -56.2 55.0 54.0 11.3 95 95 A I H >X S+ 0 0 17 -4,-3.1 3,-2.4 1,-0.3 4,-1.6 0.851 100.6 67.9 -56.5 -30.8 54.5 50.5 9.9 96 96 A S T 3< S+ 0 0 22 -4,-3.5 -1,-0.3 1,-0.3 25,-0.2 0.429 95.6 58.6 -76.1 8.4 51.9 51.7 7.4 97 97 A T T <4 S+ 0 0 110 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.441 108.9 43.6 -97.7 -15.5 54.8 53.5 5.7 98 98 A Y T <4 S+ 0 0 166 -3,-2.4 -2,-0.2 -4,-0.3 2,-0.2 0.860 110.0 46.6 -97.4 -42.2 56.7 50.3 5.2 99 99 A V < - 0 0 9 -4,-1.6 -55,-0.2 1,-0.1 3,-0.1 -0.491 59.3-136.6-112.8 173.3 54.1 47.7 3.9 100 100 A D S S+ 0 0 61 -57,-2.9 2,-0.3 1,-0.3 -56,-0.2 0.566 91.5 7.7-100.1 -21.3 51.2 47.1 1.6 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.1 21,-0.2 2,-0.4 -0.971 64.2-144.0-154.3 154.5 48.9 45.3 4.0 102 102 A I E -cd 45 124A 0 21,-2.3 23,-3.0 -2,-0.3 2,-0.5 -0.982 7.6-170.4-122.6 124.3 48.9 44.6 7.8 103 103 A V E +cd 46 125A 0 -58,-2.2 -56,-1.7 -2,-0.4 2,-0.4 -0.958 25.4 178.6-102.4 126.3 47.6 41.2 9.3 104 104 A M E -cd 47 126A 0 21,-2.8 23,-3.4 -2,-0.5 24,-0.4 -0.990 27.5-170.5-136.5 147.3 47.4 41.8 13.1 105 105 A R E +c 48 0A 27 -58,-1.7 -56,-1.7 -2,-0.4 -55,-0.7 -0.997 20.9 169.2-128.6 134.2 46.4 39.9 16.2 106 106 A H E - d 0 129A 19 22,-2.2 24,-1.9 -2,-0.4 5,-0.1 -0.983 37.7-126.6-143.9 147.6 46.2 41.8 19.5 107 107 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.541 86.3 73.2 -72.7 -10.1 44.8 41.1 23.1 108 108 A Q S > S- 0 0 56 22,-0.2 3,-1.2 23,-0.0 317,-0.2 -0.843 90.6-106.9-109.4 145.9 42.5 44.1 23.6 109 109 A E B 3 S+e 425 0B 6 315,-0.6 317,-1.6 -2,-0.3 318,-0.2 -0.351 99.9 19.3 -74.0 144.9 39.3 44.3 21.7 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-2.9 342,-0.2 -1,-0.2 0.542 78.9 127.8 79.5 4.9 39.0 46.8 18.8 111 111 A A H <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.2 -2,-0.1 0.950 76.5 50.7 -59.5 -39.0 42.8 47.1 18.4 112 112 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 108.4 49.0 -64.2 -43.6 42.2 46.3 14.7 113 113 A R H > S+ 0 0 34 1,-0.2 4,-0.8 338,-0.2 -1,-0.2 0.917 109.5 52.2 -67.0 -40.1 39.6 48.9 14.2 114 114 A L H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.4 0.932 105.4 57.1 -54.2 -42.9 41.9 51.5 15.9 115 115 A A H >X S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.3 4,-1.3 0.927 96.7 63.3 -53.7 -50.3 44.6 50.4 13.4 116 116 A T H 3< S+ 0 0 33 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.763 98.1 56.0 -41.3 -32.5 42.3 51.3 10.5 117 117 A E T << S+ 0 0 78 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.604 116.0 35.7 -89.4 -5.7 42.3 54.9 11.5 118 118 A F T <4 S+ 0 0 50 -3,-2.6 -2,-0.2 -4,-0.4 -1,-0.2 0.516 94.3 82.2-119.0 -6.8 46.0 55.1 11.4 119 119 A S S >< S- 0 0 0 -4,-1.3 3,-1.9 1,-0.2 2,-0.4 0.405 76.3-145.4 -88.9 9.7 47.1 52.9 8.4 120 120 A G T 3 S- 0 0 63 1,-0.3 -1,-0.2 -4,-0.2 -23,-0.1 -0.474 75.2 -24.0 68.1-120.3 46.5 55.4 5.5 121 121 A N T 3 S+ 0 0 136 -2,-0.4 -1,-0.3 -25,-0.2 -2,-0.0 0.207 109.8 118.6-106.0 21.7 45.3 53.4 2.5 122 122 A V < - 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