==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-01 1I5O . COMPND 2 MOLECULE: ASPARTATE TRANSCARBAMOYLASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.P.MACOL,H.TSURUTA,B.STEC,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 9.8 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 . 5 0.5 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 . 86 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 24.0 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 0 3 4 2 3 4 2 0 1 2 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 3 4 6 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 . 3 0 6 3 2 3 1 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 1 3 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 94 0, 0.0 306,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-160.9 36.9 46.6 -9.6 2 2 A N > - 0 0 10 304,-1.2 3,-2.3 2,-0.1 305,-0.0 0.275 360.0-127.7 -32.9 133.3 36.2 44.0 -6.9 3 3 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 0.868 110.9 44.0 -46.5 -52.2 33.9 44.8 -3.9 4 4 A L T > S+ 0 0 0 15,-0.1 3,-1.5 2,-0.1 2,-0.3 0.336 86.3 128.9 -79.8 4.3 36.4 43.7 -1.2 5 5 A Y T < S- 0 0 66 -3,-2.3 298,-0.2 1,-0.3 299,-0.2 -0.489 84.5 -4.8 -67.8 122.4 39.3 45.5 -3.1 6 6 A Q T 3 S+ 0 0 83 297,-2.6 -1,-0.3 -2,-0.3 297,-0.1 0.547 103.3 138.9 73.6 8.5 41.3 47.8 -0.9 7 7 A K < - 0 0 78 -3,-1.5 2,-0.6 116,-0.1 -1,-0.2 -0.335 56.8-119.8 -84.2 163.4 38.9 47.1 2.0 8 8 A H - 0 0 56 115,-0.2 2,-1.1 -3,-0.1 3,-0.3 -0.925 19.4-150.4-101.0 114.8 39.8 46.5 5.7 9 9 A I B +a 125 0A 2 115,-0.9 117,-2.1 -2,-0.6 127,-0.1 -0.763 46.2 132.2 -88.4 105.8 38.6 43.1 6.9 10 10 A I + 0 0 1 -2,-1.1 2,-0.4 1,-0.5 -1,-0.2 0.736 62.3 16.4-116.5 -57.3 37.9 43.7 10.6 11 11 A S >> - 0 0 0 -3,-0.3 3,-0.6 123,-0.1 4,-0.6 -0.935 59.0-136.9-125.0 150.7 34.6 42.3 11.7 12 12 A I T 34 S+ 0 0 0 -2,-0.4 8,-0.1 1,-0.2 -1,-0.1 0.674 103.1 70.6 -80.2 -16.9 32.3 39.9 10.1 13 13 A N T 34 S+ 0 0 65 1,-0.3 -1,-0.2 -3,-0.0 158,-0.0 0.791 97.0 53.0 -67.9 -25.3 29.4 42.0 10.9 14 14 A D T <4 S+ 0 0 77 -3,-0.6 2,-0.6 1,-0.1 -1,-0.3 0.838 94.8 88.3 -73.2 -35.0 30.8 44.4 8.3 15 15 A L S < S- 0 0 3 -4,-0.6 -1,-0.1 4,-0.1 5,-0.0 -0.591 71.7-145.0 -79.0 112.6 30.8 41.5 5.9 16 16 A S > - 0 0 46 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.191 29.4-104.0 -68.2 160.5 27.6 41.0 3.8 17 17 A R H > S+ 0 0 73 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.847 125.3 50.4 -52.1 -39.6 26.2 37.6 2.8 18 18 A D H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.929 104.6 55.5 -67.8 -46.9 27.5 38.4 -0.7 19 19 A D H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 108.4 48.3 -52.0 -45.6 31.0 39.3 0.5 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.3 -1,-0.2 0.933 111.4 51.1 -59.7 -46.7 31.4 35.9 2.2 21 21 A N H X S+ 0 0 59 -4,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.855 109.6 50.1 -57.3 -44.7 30.2 34.3 -1.0 22 22 A L H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.899 112.2 46.0 -60.1 -49.5 32.7 36.2 -3.0 23 23 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.986 112.3 53.8 -57.3 -51.2 35.5 35.3 -0.7 24 24 A L H X S+ 0 0 2 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.717 107.5 48.4 -55.2 -33.4 34.2 31.7 -0.9 25 25 A A H X S+ 0 0 49 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.891 113.4 47.8 -74.8 -42.3 34.2 31.6 -4.7 26 26 A T H >X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 3,-1.4 0.980 108.5 53.1 -60.9 -54.2 37.7 32.9 -4.9 27 27 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.862 108.5 51.6 -47.4 -46.0 39.0 30.5 -2.2 28 28 A A H 3X S+ 0 0 46 -4,-1.3 4,-0.9 -5,-0.2 -1,-0.3 0.757 111.1 48.5 -60.4 -34.5 37.6 27.6 -4.2 29 29 A K H - 0 0 61 -2,-0.2 3,-1.2 1,-0.1 -5,-0.0 -0.823 13.1-171.3-110.7 96.0 48.4 31.5 -8.8 36 36 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.403 78.4 41.7 -61.4 -16.1 51.9 31.8 -7.1 37 37 A E T > S+ 0 0 134 1,-0.1 3,-1.0 3,-0.1 30,-0.1 0.077 72.7 113.1-127.6 28.9 52.9 35.3 -8.1 38 38 A L T < S+ 0 0 39 -3,-1.2 29,-0.1 1,-0.2 -1,-0.1 0.916 90.2 34.9 -66.1 -39.4 49.7 37.2 -7.7 39 39 A L T > S+ 0 0 0 27,-2.7 3,-2.6 24,-0.2 30,-0.3 0.126 85.0 154.7-102.2 20.3 51.2 39.3 -4.8 40 40 A K T < S+ 0 0 103 -3,-1.0 28,-0.2 1,-0.3 3,-0.1 -0.212 70.3 13.4 -51.6 130.4 54.6 39.4 -6.3 41 41 A H T 3 S+ 0 0 159 26,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.332 97.1 122.1 83.0 -7.6 56.5 42.5 -5.0 42 42 A K < - 0 0 75 -3,-2.6 27,-2.0 25,-0.2 2,-0.5 -0.557 50.9-151.4 -80.8 153.4 54.0 43.2 -2.2 43 43 A V E -b 69 0A 47 -2,-0.2 57,-2.8 25,-0.2 58,-0.7 -0.999 10.7-162.3-127.6 125.3 55.3 43.2 1.2 44 44 A I E -bc 70 101A 0 25,-2.7 27,-2.3 -2,-0.5 2,-0.7 -0.899 13.8-135.6-111.5 143.4 53.0 42.3 4.1 45 45 A A E -bc 71 102A 2 56,-2.5 58,-3.2 -2,-0.4 2,-1.2 -0.845 10.7-163.7-100.0 112.5 53.4 43.0 7.8 46 46 A S E +bc 72 103A 0 25,-2.5 2,-1.5 -2,-0.7 27,-0.7 -0.653 15.6 178.6 -94.2 79.5 52.6 40.0 10.0 47 47 A C E -bc 73 104A 4 56,-1.8 2,-1.8 -2,-1.2 58,-1.2 -0.581 7.0-180.0 -89.0 81.0 52.2 41.8 13.3 48 48 A F E +bc 74 105A 0 25,-2.3 27,-1.7 -2,-1.5 58,-0.1 -0.557 9.0 168.1 -83.5 79.6 51.4 39.2 15.8 49 49 A F S S+ 0 0 20 -2,-1.8 27,-0.8 56,-1.0 2,-0.5 0.805 82.7 35.5 -56.5 -40.1 51.1 41.4 18.9 50 50 A E S S- 0 0 80 55,-1.4 -1,-0.2 -3,-0.2 55,-0.1 -0.998 105.9-121.8-110.5 121.8 49.5 38.4 20.6 51 51 A A + 0 0 30 -2,-0.5 23,-0.1 23,-0.1 -2,-0.1 -0.361 36.9 169.8 -66.5 151.8 51.3 35.3 19.3 52 52 A S > - 0 0 27 1,-0.1 4,-4.8 2,-0.0 5,-0.2 -0.561 6.5-178.3-162.5 71.5 49.1 32.7 17.6 53 53 A T H > S+ 0 0 74 2,-0.2 4,-3.1 3,-0.2 5,-0.4 0.947 81.9 55.5 -44.2 -54.2 51.5 30.3 15.9 54 54 A R H > S+ 0 0 156 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.933 120.2 34.1 -45.8 -54.6 48.7 28.2 14.4 55 55 A T H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.885 116.4 53.2 -70.0 -37.8 47.4 31.4 12.8 56 56 A R H X S+ 0 0 54 -4,-4.8 4,-2.6 1,-0.3 5,-0.3 0.983 111.1 47.3 -63.8 -51.5 50.7 33.1 12.2 57 57 A L H X S+ 0 0 91 -4,-3.1 4,-0.8 1,-0.2 -1,-0.3 0.739 113.4 51.1 -58.0 -29.7 52.0 30.1 10.4 58 58 A S H X S+ 0 0 17 -4,-1.1 4,-2.4 -5,-0.4 3,-0.2 0.938 110.2 43.7 -73.5 -54.3 48.9 29.8 8.4 59 59 A F H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.914 114.6 51.8 -59.6 -41.8 48.6 33.4 7.1 60 60 A E H X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.780 106.0 52.4 -69.5 -27.3 52.2 33.5 6.3 61 61 A T H X S+ 0 0 58 -4,-0.8 4,-3.2 -5,-0.3 5,-0.2 0.973 110.1 51.1 -69.6 -45.6 52.1 30.3 4.3 62 62 A S H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.869 107.5 51.7 -54.0 -47.2 49.2 32.0 2.5 63 63 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.9 0.924 114.2 44.4 -57.0 -43.5 51.3 35.1 1.8 64 64 A H H ><5S+ 0 0 110 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.889 102.4 63.7 -72.9 -36.0 54.0 32.9 0.4 65 65 A R H 3<5S+ 0 0 167 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.671 108.1 44.5 -63.5 -14.4 51.7 30.7 -1.7 66 66 A L T <<5S- 0 0 0 -3,-0.9 -27,-2.7 -4,-0.7 -1,-0.3 -0.007 124.6-104.9-113.7 21.8 50.8 33.9 -3.7 67 67 A G T < 5 + 0 0 30 -3,-2.3 -26,-0.5 1,-0.2 2,-0.3 0.819 68.7 150.8 58.4 40.0 54.5 34.9 -3.9 68 68 A A < - 0 0 3 -5,-2.5 2,-0.3 -28,-0.2 -1,-0.2 -0.744 42.9-124.3-103.3 150.8 54.4 37.7 -1.3 69 69 A S E -b 43 0A 72 -27,-2.0 -25,-2.7 -30,-0.3 2,-0.4 -0.664 25.3-148.4 -88.2 147.6 57.2 38.8 0.9 70 70 A V E +b 44 0A 37 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.947 22.5 166.7-127.1 135.9 56.8 38.9 4.7 71 71 A V E +b 45 0A 81 -27,-2.3 -25,-2.5 -2,-0.4 2,-0.3 -0.977 32.1 100.6-134.7 142.6 58.2 41.1 7.6 72 72 A G E -b 46 0A 49 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.957 50.9-105.6 168.5-174.8 56.8 41.1 11.1 73 73 A F E -b 47 0A 29 -27,-0.7 -25,-2.3 -2,-0.3 2,-0.4 -0.824 14.6-144.9-134.4 170.7 57.1 40.0 14.7 74 74 A S E +b 48 0A 48 1,-0.3 4,-0.5 -2,-0.3 3,-0.3 -1.000 68.0 12.6-141.5 137.7 55.4 37.5 17.1 75 75 A D S >> S- 0 0 87 -27,-1.7 4,-0.9 -2,-0.4 3,-0.6 0.585 80.7-107.8 68.3 129.3 54.8 37.9 20.8 76 76 A S T 34 S+ 0 0 69 -27,-0.8 -1,-0.2 1,-0.2 -27,-0.1 0.043 103.0 89.1 -79.5 30.7 55.3 41.4 22.2 77 77 A A T 34 S+ 0 0 79 -3,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.911 96.5 29.8 -88.8 -54.9 58.5 40.2 23.9 78 78 A N T <4 S+ 0 0 117 -3,-0.6 2,-0.7 -4,-0.5 -2,-0.2 0.922 99.4 97.6 -65.9 -48.4 61.0 40.9 21.1 79 79 A T < - 0 0 7 -4,-0.9 -1,-0.1 -5,-0.2 -6,-0.0 -0.235 56.3-172.6 -46.8 90.4 58.7 43.7 20.0 80 80 A S + 0 0 86 -2,-0.7 2,-0.9 1,-0.2 -1,-0.2 0.350 61.6 106.2 -71.0 8.8 60.6 46.5 21.7 81 81 A L + 0 0 54 1,-0.2 2,-0.2 2,-0.0 -1,-0.2 -0.146 56.4 89.8 -82.0 38.6 57.5 48.5 20.6 82 82 A G + 0 0 62 -2,-0.9 -1,-0.2 -5,-0.1 2,-0.1 -0.731 51.8 144.9-136.1 72.9 56.5 48.4 24.2 83 83 A K S S- 0 0 109 -2,-0.2 3,-0.3 1,-0.0 -2,-0.0 -0.144 70.1 -79.1 -90.5-159.1 58.2 51.5 25.7 84 84 A K S S+ 0 0 208 1,-0.2 2,-0.1 -2,-0.1 -1,-0.0 0.997 125.3 10.3 -69.9 -64.3 56.4 53.4 28.5 85 85 A G S S+ 0 0 69 -3,-0.1 2,-1.3 2,-0.1 -1,-0.2 -0.251 82.8 149.0-109.4 48.5 53.8 55.2 26.3 86 86 A E - 0 0 57 -3,-0.3 2,-0.2 -2,-0.1 5,-0.0 -0.625 36.3-151.6 -82.7 92.0 54.3 53.5 23.0 87 87 A T >> - 0 0 29 -2,-1.3 4,-1.7 1,-0.1 3,-0.6 -0.437 18.9-132.1 -72.7 137.6 50.9 53.8 21.4 88 88 A L H 3> S+ 0 0 10 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.847 110.2 58.4 -50.4 -36.0 49.6 51.2 18.9 89 89 A A H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.934 104.7 48.3 -59.5 -50.6 48.5 54.1 16.7 90 90 A D H <> S+ 0 0 97 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.796 113.5 49.1 -59.2 -36.1 52.1 55.5 16.6 91 91 A T H >X S+ 0 0 11 -4,-1.7 4,-2.4 2,-0.2 3,-0.8 0.989 112.4 45.9 -68.5 -59.6 53.3 52.0 15.7 92 92 A I H 3X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.866 107.5 60.9 -50.0 -41.2 50.6 51.5 12.9 93 93 A S H 3X S+ 0 0 49 -4,-3.1 4,-0.7 -5,-0.2 -1,-0.3 0.922 111.4 36.9 -53.9 -45.7 51.5 55.0 11.7 94 94 A V H X< S+ 0 0 71 -4,-1.4 3,-1.2 -3,-0.8 -2,-0.2 0.931 112.5 56.0 -75.2 -46.0 55.0 54.1 11.0 95 95 A I H >X S+ 0 0 24 -4,-2.4 4,-1.9 1,-0.3 3,-1.1 0.882 98.3 65.0 -53.5 -43.7 54.4 50.5 9.7 96 96 A S H 3< S+ 0 0 18 -4,-2.4 2,-0.8 1,-0.3 -1,-0.3 0.873 94.8 59.0 -47.9 -38.4 52.0 51.9 7.1 97 97 A T T << S+ 0 0 105 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.1 -0.178 112.1 39.7 -88.0 40.8 54.9 53.7 5.5 98 98 A Y T <4 S+ 0 0 170 -3,-1.1 -2,-0.2 -2,-0.8 -1,-0.2 0.247 108.8 56.2-147.1 -48.5 56.8 50.4 4.9 99 99 A V < - 0 0 8 -4,-1.9 -1,-0.3 1,-0.1 -55,-0.2 -0.463 58.5-140.9-105.8 173.0 54.1 47.9 3.9 100 100 A D S S- 0 0 61 -57,-2.8 2,-0.3 1,-0.4 -56,-0.2 0.709 90.6 -6.5 -93.2 -31.8 51.4 47.0 1.4 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.5 21,-0.2 2,-0.4 -0.942 65.9-134.8-160.4 154.5 48.9 45.4 3.9 102 102 A I E -cd 45 124A 2 21,-2.4 23,-2.3 -2,-0.3 2,-0.5 -0.992 7.3-163.8-125.5 130.5 49.0 44.5 7.6 103 103 A V E +cd 46 125A 0 -58,-3.2 -56,-1.8 -2,-0.4 2,-0.4 -0.945 26.7 176.1-105.5 122.9 47.9 41.3 9.2 104 104 A M E -cd 47 126A 1 21,-3.2 23,-2.7 -2,-0.5 2,-0.5 -0.987 30.4-170.4-144.0 144.4 47.5 41.6 13.0 105 105 A A E -c 48 0A 2 -58,-1.2 -55,-1.4 -2,-0.4 -56,-1.0 -0.985 20.6-178.1-123.8 124.9 46.4 39.9 16.2 106 106 A H E - d 0 129A 25 22,-2.4 24,-2.2 -2,-0.5 4,-0.1 -0.906 35.5-126.6-125.9 154.7 46.2 42.0 19.3 107 107 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.231 90.2 66.5 -82.8 13.1 45.3 41.0 22.9 108 108 A Q S > S- 0 0 59 20,-0.2 3,-1.1 22,-0.1 4,-0.3 -0.967 89.3 -98.4-137.8 150.5 42.6 43.7 23.0 109 109 A E T 3 S+ 0 0 5 -2,-0.3 317,-1.7 1,-0.2 318,-0.3 -0.456 99.9 5.5 -71.2 134.9 39.3 44.5 21.3 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-3.4 341,-0.2 -1,-0.2 0.527 82.5 125.5 74.4 8.8 39.2 46.8 18.3 111 111 A A H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 -2,-0.1 0.834 78.2 50.9 -65.9 -26.8 42.9 47.3 18.1 112 112 A A H > S+ 0 0 0 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.827 109.9 49.3 -77.0 -35.9 42.6 46.3 14.5 113 113 A R H >> S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 3,-0.9 0.966 113.2 45.3 -65.9 -56.1 39.9 48.8 14.0 114 114 A L H >X S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.3 4,-0.6 0.969 106.0 64.0 -51.5 -50.1 42.0 51.5 15.6 115 115 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 4,-0.4 0.816 99.2 52.1 -40.2 -44.7 44.8 50.2 13.5 116 116 A T H X< S+ 0 0 23 -4,-1.3 3,-0.8 -3,-0.9 4,-0.5 0.845 97.9 64.6 -67.2 -30.7 42.9 51.2 10.3 117 117 A E H << S+ 0 0 84 -3,-1.6 -1,-0.3 -4,-1.3 -2,-0.2 0.602 116.4 31.0 -67.4 -10.0 42.4 54.8 11.5 118 118 A F T << S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.270 98.7 84.7-128.2 1.4 46.2 55.2 11.4 119 119 A S S X S- 0 0 0 -3,-0.8 3,-2.1 -4,-0.4 2,-0.4 0.535 71.4-163.1 -84.4 -7.1 47.0 52.8 8.5 120 120 A G T 3 S- 0 0 65 -4,-0.5 -1,-0.2 1,-0.3 -27,-0.0 -0.407 71.8 -12.8 63.3-115.4 46.3 55.5 5.8 121 121 A N T 3 S+ 0 0 134 -2,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.592 112.1 105.6 -94.9 -5.0 45.9 53.7 2.5 122 122 A V S < S- 0 0 15 -3,-2.1 -21,-0.2 1,-0.1 2,-0.1 -0.586 71.9-128.3 -79.6 117.8 47.2 50.4 3.8 123 123 A P - 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0 0 8 -68,-2.2 2,-0.5 -2,-0.3 -65,-0.1 -0.759 24.7-103.5-122.1 171.2 78.6 57.8 49.3 694 229 C R - 0 0 81 -2,-0.3 2,-0.8 -67,-0.1 40,-0.0 -0.841 20.0-142.9-103.8 124.7 78.4 55.3 46.4 695 230 C V - 0 0 18 -2,-0.5 2,-0.7 14,-0.0 42,-0.1 -0.754 14.9-142.5 -83.7 112.8 78.1 56.4 42.8 696 231 C Q > - 0 0 45 -2,-0.8 3,-1.8 1,-0.2 4,-0.1 -0.713 14.1-140.5 -73.5 111.4 75.8 53.9 41.1 697 232 C K G > S+ 0 0 63 -2,-0.7 3,-1.6 1,-0.3 8,-0.2 0.755 93.7 73.8 -46.6 -29.1 77.6 53.8 37.7 698 233 C E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 4,-0.1 -3,-0.0 0.816 80.9 68.6 -56.8 -34.8 74.2 53.7 35.9 699 234 C R G < S+ 0 0 130 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.389 110.2 41.6 -67.5 5.3 73.5 57.3 36.7 700 235 C L S < S- 0 0 10 -3,-1.6 0, 0.0 -4,-0.1 0, 0.0 -0.919 104.4 -94.4-145.1 159.3 76.4 57.8 34.2 701 236 C D > - 0 0 104 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.629 46.1-111.3 -73.3 146.6 77.1 56.2 30.9 702 237 C P H > S+ 0 0 106 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.599 120.3 46.3 -56.7 -10.2 79.6 53.3 31.7 703 238 C S H > S+ 0 0 75 2,-0.2 4,-0.7 3,-0.1 0, 0.0 0.759 107.3 53.3 -99.2 -38.7 82.3 55.3 29.9 704 239 C E H >> S+ 0 0 90 -3,-0.3 3,-1.1 1,-0.2 4,-1.0 0.930 103.4 64.1 -59.8 -40.6 81.5 58.6 31.5 705 240 C Y H 3X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.3 3,-0.4 0.883 96.0 53.5 -49.6 -54.5 81.9 56.8 34.8 706 241 C A H 3X S+ 0 0 62 -4,-0.6 4,-0.8 1,-0.2 -1,-0.3 0.739 101.3 60.5 -59.4 -26.0 85.6 55.9 34.4 707 242 C N H << S+ 0 0 136 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.911 120.6 19.5 -70.4 -48.3 86.8 59.4 33.7 708 243 C V H >X S+ 0 0 38 -4,-1.0 3,-2.8 -3,-0.4 4,-0.9 0.710 107.9 85.3 -92.3 -25.5 85.8 61.2 36.9 709 244 C K H >< S+ 0 0 66 -4,-2.1 3,-2.6 -5,-0.3 -3,-0.1 0.886 85.3 53.9 -36.9 -65.1 85.5 58.0 38.9 710 245 C A T 3< S+ 0 0 71 -4,-0.8 3,-0.4 1,-0.3 -1,-0.3 0.517 100.4 61.8 -53.3 -12.7 89.1 57.9 39.8 711 246 C Q T <4 S+ 0 0 114 -3,-2.8 -31,-0.5 1,-0.2 -1,-0.3 0.731 106.4 48.3 -84.3 -25.7 88.9 61.4 41.2 712 247 C F S << S+ 0 0 19 -3,-2.6 2,-0.4 -4,-0.9 -1,-0.2 -0.249 83.7 102.2-110.3 44.1 86.4 60.1 43.8 713 248 C V - 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