==== 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 19-SEP-03 1R0C . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.HUANG,W.N.LIPSCOMB . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 10.0 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 . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 66 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 22.5 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 2 2 4 2 2 2 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 3 8 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 . 2 0 6 0 4 5 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 0 4 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 91 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 125.8 -22.6 62.9 -25.9 2 2 A N > - 0 0 23 304,-3.0 3,-1.9 303,-0.3 305,-0.0 -0.247 360.0-104.5 -65.5 155.7 -21.5 59.9 -23.7 3 3 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.728 119.9 50.2 -52.6 -27.6 -23.8 58.9 -20.9 4 4 A L T > S+ 0 0 7 302,-0.1 3,-1.9 15,-0.1 2,-0.1 0.388 78.3 133.2 -96.4 5.1 -21.5 60.4 -18.2 5 5 A Y T < S- 0 0 59 -3,-1.9 298,-0.2 1,-0.3 299,-0.1 -0.345 85.0 -7.9 -61.0 127.0 -21.2 63.8 -19.9 6 6 A Q T 3 S+ 0 0 74 297,-2.1 -1,-0.3 1,-0.2 2,-0.2 0.653 103.2 141.2 60.6 17.6 -21.7 66.7 -17.5 7 7 A K < - 0 0 114 -3,-1.9 2,-0.3 295,-0.1 -1,-0.2 -0.597 53.5-121.5 -90.8 151.3 -22.8 64.1 -14.8 8 8 A H - 0 0 63 -2,-0.2 2,-0.5 115,-0.1 117,-0.2 -0.658 15.8-151.1 -86.9 147.6 -21.8 64.3 -11.2 9 9 A I B +a 125 0A 2 115,-2.0 117,-2.6 -2,-0.3 127,-0.2 -0.755 43.8 133.4-122.5 83.9 -19.9 61.4 -9.8 10 10 A I + 0 0 4 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.902 62.4 28.5 -96.4 -56.7 -20.8 61.2 -6.1 11 11 A S > - 0 0 1 1,-0.1 3,-1.7 123,-0.1 -1,-0.3 -0.898 57.9-142.8-115.9 141.5 -21.7 57.6 -5.1 12 12 A I G > S+ 0 0 4 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.891 105.6 62.9 -62.4 -37.5 -20.5 54.3 -6.6 13 13 A N G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.473 91.7 66.4 -66.7 -1.7 -24.0 53.0 -6.0 14 14 A D G < S+ 0 0 89 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.441 85.9 89.3 -96.4 -2.9 -25.2 55.6 -8.5 15 15 A L < - 0 0 11 -3,-2.1 2,-0.1 -4,-0.1 -6,-0.0 -0.852 69.0-142.4-104.7 129.0 -23.5 54.0 -11.4 16 16 A S > - 0 0 47 -2,-0.5 4,-2.3 1,-0.1 3,-0.5 -0.365 33.6-102.8 -78.7 161.5 -25.0 51.3 -13.5 17 17 A R H > S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.826 126.1 55.4 -53.3 -34.3 -23.1 48.3 -14.8 18 18 A D H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.898 105.8 51.6 -65.9 -40.9 -23.0 50.1 -18.2 19 19 A D H > S+ 0 0 28 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.944 110.5 47.4 -61.6 -47.7 -21.5 53.1 -16.5 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.954 113.6 47.8 -58.6 -51.1 -18.7 51.0 -14.8 21 21 A N H X S+ 0 0 57 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.904 111.4 51.6 -55.2 -44.7 -18.0 49.2 -18.1 22 22 A L H X S+ 0 0 44 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.867 112.8 44.1 -62.2 -39.0 -17.9 52.6 -19.9 23 23 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 114.9 49.0 -72.0 -44.7 -15.4 54.1 -17.4 24 24 A L H X S+ 0 0 2 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.920 110.8 50.2 -60.5 -44.3 -13.3 50.9 -17.4 25 25 A A H X S+ 0 0 38 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.938 110.5 49.4 -60.1 -48.0 -13.2 50.8 -21.2 26 26 A T H X S+ 0 0 9 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.883 107.3 55.5 -58.0 -42.6 -12.2 54.5 -21.5 27 27 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.907 106.8 48.9 -57.9 -47.2 -9.4 54.0 -18.9 28 28 A A H X S+ 0 0 45 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.862 112.4 49.7 -62.2 -36.7 -7.8 51.1 -20.9 29 29 A K H X S+ 0 0 82 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.894 111.2 46.8 -70.9 -40.4 -7.9 53.2 -24.1 30 30 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.864 112.8 51.9 -69.0 -33.6 -6.4 56.3 -22.5 31 31 A K H < S+ 0 0 69 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 114.0 42.2 -68.0 -42.1 -3.7 54.1 -21.0 32 32 A A H < S+ 0 0 68 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.886 131.4 22.7 -71.3 -40.6 -2.9 52.5 -24.4 33 33 A N S < S- 0 0 105 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.763 84.0-145.3-134.5 90.3 -3.0 55.8 -26.3 34 34 A P - 0 0 93 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.141 5.0-158.8 -52.1 140.0 -2.5 59.0 -24.2 35 35 A Q > + 0 0 60 30,-0.1 3,-1.3 1,-0.1 4,-0.3 -0.752 14.0 175.5-128.2 82.8 -4.4 62.1 -25.1 36 36 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.576 78.9 44.0 -60.4 -20.3 -2.4 65.1 -23.6 37 37 A E T > S+ 0 0 124 1,-0.1 3,-1.6 30,-0.1 4,-0.2 0.288 76.5 109.1-113.5 9.6 -4.6 67.8 -25.1 38 38 A L T < S+ 0 0 34 -3,-1.3 29,-0.2 1,-0.3 3,-0.2 0.906 94.7 25.1 -53.4 -46.1 -8.0 66.4 -24.4 39 39 A L T > S+ 0 0 3 27,-3.1 3,-1.5 -4,-0.3 -1,-0.3 -0.197 84.5 146.1-112.4 42.0 -8.9 68.9 -21.7 40 40 A K T < S+ 0 0 111 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.881 71.0 30.9 -42.2 -67.8 -6.5 71.7 -23.0 41 41 A H T 3 S+ 0 0 159 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.030 97.4 110.6 -91.4 33.2 -8.4 74.9 -22.2 42 42 A K < - 0 0 71 -3,-1.5 27,-3.1 25,-0.1 2,-0.5 -0.795 52.4-154.0-108.1 149.8 -10.2 73.6 -19.1 43 43 A V E -b 69 0A 49 -2,-0.3 57,-2.7 25,-0.2 58,-0.7 -0.993 12.6-165.6-124.7 123.3 -9.6 74.6 -15.5 44 44 A I E -bc 70 101A 0 25,-3.5 27,-2.1 -2,-0.5 2,-0.6 -0.901 15.3-134.0-114.8 139.0 -10.4 72.1 -12.7 45 45 A A E -bc 71 102A 2 56,-3.1 58,-3.1 -2,-0.4 2,-0.9 -0.799 10.3-163.8 -93.5 122.1 -10.7 72.8 -9.0 46 46 A S E -bc 72 103A 0 25,-2.9 27,-2.2 -2,-0.6 2,-0.9 -0.846 16.1-177.9-103.0 90.8 -8.9 70.3 -6.7 47 47 A C E +bc 73 104A 1 56,-2.7 58,-2.1 -2,-0.9 2,-1.1 -0.777 10.1 175.9 -98.1 94.6 -10.6 71.1 -3.4 48 48 A F E +bc 74 105A 0 25,-2.8 27,-2.2 -2,-0.9 58,-0.1 -0.717 7.5 169.4-100.5 84.5 -9.2 69.0 -0.6 49 49 A F S S+ 0 0 19 56,-1.7 2,-0.5 -2,-1.1 57,-0.2 0.833 81.6 42.0 -59.7 -30.4 -11.0 70.4 2.4 50 50 A E S S- 0 0 70 55,-1.0 -1,-0.2 -3,-0.2 26,-0.1 -0.983 103.2-114.5-120.1 123.0 -9.4 67.4 4.1 51 51 A A + 0 0 55 -2,-0.5 -2,-0.1 24,-0.2 23,-0.1 -0.208 43.6 156.5 -59.2 147.5 -5.8 66.5 3.2 52 52 A S > - 0 0 28 -4,-0.1 4,-2.8 53,-0.0 5,-0.2 -0.343 14.7-175.3-172.6 73.4 -5.0 63.3 1.3 53 53 A T H > S+ 0 0 85 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.849 80.3 49.5 -43.8 -56.7 -1.7 63.7 -0.5 54 54 A R H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 116.9 41.1 -53.0 -56.0 -1.7 60.4 -2.4 55 55 A T H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 116.4 50.1 -62.3 -39.1 -5.2 60.8 -3.7 56 56 A R H X S+ 0 0 52 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.936 110.8 48.4 -66.3 -47.0 -4.7 64.5 -4.5 57 57 A L H X S+ 0 0 88 -4,-3.5 4,-2.5 -5,-0.2 -2,-0.2 0.923 112.7 50.5 -58.5 -42.7 -1.5 63.8 -6.4 58 58 A S H X S+ 0 0 13 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.964 114.2 41.8 -59.4 -56.8 -3.2 61.1 -8.3 59 59 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.964 117.5 46.6 -55.4 -57.5 -6.2 63.2 -9.3 60 60 A E H X S+ 0 0 38 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.850 109.6 53.9 -55.7 -39.1 -4.2 66.3 -10.1 61 61 A T H X S+ 0 0 55 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.3 0.909 107.1 53.4 -62.5 -39.3 -1.7 64.3 -12.1 62 62 A S H X S+ 0 0 0 -4,-2.0 4,-1.0 -3,-0.3 -2,-0.2 0.891 105.3 53.8 -60.0 -41.9 -4.6 62.9 -14.1 63 63 A M H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 3,-0.5 0.910 111.7 43.9 -61.2 -43.2 -5.8 66.5 -14.8 64 64 A H H ><5S+ 0 0 111 -4,-2.0 3,-2.7 1,-0.2 -2,-0.2 0.900 103.7 63.3 -71.2 -38.4 -2.4 67.4 -16.2 65 65 A R H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -27,-0.2 0.778 108.2 45.6 -56.6 -23.1 -2.0 64.2 -18.2 66 66 A L T 3<5S- 0 0 0 -4,-1.0 -27,-3.1 -3,-0.5 -1,-0.3 0.334 120.9-108.8-101.1 4.3 -5.1 65.5 -20.1 67 67 A G T < 5 + 0 0 25 -3,-2.7 -3,-0.2 1,-0.2 -25,-0.1 0.358 69.9 143.3 87.0 -8.0 -3.8 69.0 -20.5 68 68 A A < - 0 0 4 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.162 49.8-118.6 -64.7 160.7 -6.3 70.5 -18.1 69 69 A S E -b 43 0A 65 -27,-3.1 -25,-3.5 -30,-0.3 2,-0.4 -0.766 27.1-144.5-100.0 148.2 -5.3 73.4 -15.8 70 70 A V E +b 44 0A 33 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.948 24.7 161.9-126.8 131.3 -5.4 73.0 -12.0 71 71 A V E +b 45 0A 77 -27,-2.1 -25,-2.9 -2,-0.4 2,-0.3 -0.961 31.2 89.6-134.1 151.6 -6.3 75.3 -9.0 72 72 A G E -b 46 0A 49 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.996 47.2-113.5 162.2-154.3 -7.2 74.4 -5.5 73 73 A F E -b 47 0A 35 -27,-2.2 -25,-2.8 -2,-0.3 2,-0.4 -0.979 17.2-124.4-168.7 173.5 -6.1 73.6 -2.0 74 74 A S E -b 48 0A 30 -2,-0.3 2,-0.8 -27,-0.2 -25,-0.2 -0.862 41.1-144.4-132.8 90.4 -5.6 71.1 0.9 75 75 A D + 0 0 32 -27,-2.2 -24,-0.2 -2,-0.4 -2,-0.0 -0.496 56.6 113.7 -70.6 103.0 -7.5 72.8 3.7 76 76 A S S S- 0 0 61 -2,-0.8 -1,-0.1 -26,-0.1 -26,-0.1 -0.451 110.4 -41.1-165.6 72.7 -6.0 72.3 7.1 77 77 A A S S+ 0 0 102 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.736 123.3 100.7 69.0 20.0 -4.7 75.7 8.3 78 78 A N S S+ 0 0 110 -4,-0.1 2,-0.2 0, 0.0 -3,-0.1 0.548 83.8 31.2-105.8 -16.4 -3.5 76.1 4.7 79 79 A T S S- 0 0 47 -6,-0.0 -2,-0.1 -5,-0.0 -6,-0.0 -0.666 71.6-122.8-132.1-175.9 -6.5 78.3 3.8 80 80 A S S S+ 0 0 103 -2,-0.2 3,-0.3 2,-0.1 -5,-0.0 0.181 89.4 88.1-116.0 12.2 -8.9 80.9 5.1 81 81 A L S S+ 0 0 43 1,-0.2 5,-0.2 -32,-0.0 -1,-0.1 0.907 70.7 73.0 -76.4 -43.9 -12.1 78.9 4.3 82 82 A G + 0 0 53 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.737 64.9 122.6 -41.3 -31.2 -12.2 77.0 7.5 83 83 A K S > S- 0 0 170 -3,-0.3 3,-0.6 1,-0.1 2,-0.1 -0.131 73.0-114.8 -38.3 117.6 -13.3 80.3 9.1 84 84 A K T 3 S+ 0 0 204 1,-0.2 -1,-0.1 0, 0.0 3,-0.1 -0.329 91.5 43.7 -69.5 144.1 -16.6 79.2 10.7 85 85 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.486 82.1 103.9 121.7 -56.1 -20.0 80.5 9.5 86 86 A E S < S- 0 0 94 -3,-0.6 -1,-0.3 -5,-0.2 0, 0.0 -0.426 70.5-136.3 -61.8 117.2 -19.3 80.4 5.8 87 87 A T > - 0 0 25 -2,-0.3 4,-1.6 -3,-0.1 5,-0.1 -0.173 16.0-119.3 -73.7 163.8 -21.2 77.4 4.6 88 88 A L H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.913 115.7 61.9 -67.4 -39.1 -20.0 74.7 2.1 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 105.0 43.2 -47.5 -59.0 -22.9 75.9 -0.0 90 90 A D H > S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 111.7 55.1 -59.1 -38.6 -21.5 79.4 -0.4 91 91 A T H X S+ 0 0 6 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.917 113.4 40.8 -61.9 -43.9 -18.0 78.1 -1.0 92 92 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.830 108.4 61.1 -73.6 -33.5 -19.2 75.9 -3.9 93 93 A S H < S+ 0 0 43 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.813 114.3 37.2 -63.4 -26.4 -21.5 78.7 -5.1 94 94 A V H >< S+ 0 0 64 -4,-1.3 3,-2.8 -5,-0.2 4,-0.5 0.942 116.5 46.3 -87.0 -60.8 -18.4 80.8 -5.6 95 95 A I H >X S+ 0 0 23 -4,-2.5 4,-1.8 1,-0.3 3,-1.7 0.825 104.7 65.3 -51.6 -34.9 -15.8 78.3 -6.8 96 96 A S T 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.3 24,-0.2 0.562 96.4 55.6 -70.2 -5.3 -18.4 77.0 -9.2 97 97 A T T <4 S+ 0 0 107 -3,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.537 110.5 47.9 -97.8 -7.7 -18.4 80.3 -11.1 98 98 A Y T <4 S+ 0 0 169 -3,-1.7 -2,-0.2 -4,-0.5 2,-0.1 0.866 109.3 42.1 -93.4 -49.4 -14.6 80.0 -11.5 99 99 A V < - 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0 0 4 -2,-0.2 -4,-0.3 1,-0.2 3,-0.2 0.956 44.1-175.9 63.4 71.5 -18.5 56.7 -1.3 134 134 A H >> + 0 0 30 1,-0.2 4,-1.5 33,-0.2 3,-1.2 -0.519 14.8 177.1 -96.5 71.3 -15.0 56.9 -2.7 135 135 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.831 72.9 45.9 -42.8 -58.6 -16.0 56.4 -6.3 136 136 A T H 3> S+ 0 0 1 -10,-0.5 4,-1.9 -9,-0.2 5,-0.2 0.828 109.0 59.4 -59.4 -29.0 -12.7 56.8 -8.1 137 137 A Q H <> S+ 0 0 8 -3,-1.2 4,-1.1 -10,-0.3 -1,-0.2 0.900 109.3 41.7 -65.4 -42.0 -11.1 54.5 -5.5 138 138 A T H X S+ 0 0 1 -4,-1.5 4,-2.9 -3,-0.4 5,-0.2 0.881 111.9 55.4 -72.6 -38.8 -13.4 51.6 -6.3 139 139 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 107.6 49.4 -61.9 -35.8 -13.2 52.3 -10.1 140 140 A L H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.824 111.3 49.7 -75.1 -28.0 -9.4 52.0 -9.9 141 141 A D H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 3,-0.3 0.946 112.7 46.3 -70.8 -50.7 -9.7 48.7 -7.9 142 142 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.918 111.3 52.5 -56.8 -45.6 -12.1 47.3 -10.5 143 143 A F H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.830 110.2 49.4 -61.4 -30.6 -9.9 48.4 -13.3 144 144 A T H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 5,-0.2 0.895 111.4 46.6 -76.1 -40.7 -7.0 46.6 -11.7 145 145 A I H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.5 0.928 113.7 49.0 -66.4 -45.8 -8.8 43.4 -11.2 146 146 A Q H X S+ 0 0 50 -4,-2.8 4,-2.3 3,-0.2 -2,-0.2 0.901 113.2 46.9 -61.7 -42.5 -10.2 43.4 -14.7 147 147 A E H < S+ 0 0 86 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.899 120.8 36.4 -68.9 -39.5 -6.7 44.1 -16.2 148 148 A T H < S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.833 130.4 32.1 -81.9 -33.2 -4.9 41.4 -14.1 149 149 A Q H < S- 0 0 22 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.697 99.4-129.3 -96.2 -21.1 -7.8 38.9 -14.2 150 150 A G S < S+ 0 0 62 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.2 0.494 80.6 29.5 86.6 3.4 -9.2 39.7 -17.6 151 151 A R - 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