==== 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 09-FEB-06 2FZG . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HENG,K.A.STIEGLITZ,J.ELDO,J.XIA,J.P.CARDIA,E.R.KANTROWITZ . 924 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.2 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 . 0 0.0 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 . 75 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.4 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 . 7 0.8 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 1 3 2 3 3 1 2 1 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 2 4 7 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 4 1 5 2 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 1 0 0 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 93 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 143.2 36.8 45.3 -8.7 2 2 A N > - 0 0 27 304,-1.8 3,-1.7 303,-0.3 305,-0.0 -0.243 360.0 -98.5 -68.2 162.3 35.1 42.4 -6.8 3 3 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.802 122.8 41.8 -49.3 -37.2 32.8 43.1 -3.8 4 4 A L T > S+ 0 0 6 302,-0.1 3,-1.7 15,-0.1 2,-0.2 0.324 79.1 131.7 -99.7 7.2 35.6 42.4 -1.3 5 5 A Y T < S- 0 0 66 -3,-1.7 298,-0.3 1,-0.3 299,-0.2 -0.418 86.1 -5.4 -64.5 126.3 38.5 44.2 -3.0 6 6 A Q T 3 S+ 0 0 64 297,-2.8 -1,-0.3 1,-0.2 2,-0.3 0.674 101.9 135.9 64.4 18.2 40.3 46.4 -0.5 7 7 A K < - 0 0 109 -3,-1.7 -1,-0.2 116,-0.1 2,-0.2 -0.667 56.0-118.5 -96.2 156.4 37.8 45.8 2.2 8 8 A H - 0 0 62 -2,-0.3 2,-0.5 115,-0.1 117,-0.2 -0.579 15.1-148.4 -86.4 149.9 38.5 45.1 5.9 9 9 A I B +a 125 0A 2 115,-2.1 117,-2.7 -2,-0.2 127,-0.2 -0.811 44.5 136.7-124.0 85.9 37.4 41.7 7.3 10 10 A I + 0 0 4 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.853 62.6 16.0 -97.7 -47.5 36.6 42.5 10.9 11 11 A S > - 0 0 0 -3,-0.1 3,-1.0 123,-0.1 -1,-0.3 -0.917 57.4-131.3-133.5 156.6 33.4 40.7 11.8 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.661 108.3 67.0 -78.8 -14.8 31.1 38.1 10.4 13 13 A N G 3 S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.0 158,-0.0 0.581 95.2 56.1 -79.2 -7.2 28.2 40.5 10.9 14 14 A D G < S+ 0 0 89 -3,-1.0 2,-0.4 2,-0.1 -1,-0.2 0.478 94.0 85.3 -98.4 -6.7 29.7 42.8 8.2 15 15 A L < - 0 0 8 -3,-0.7 2,-0.1 -4,-0.2 -6,-0.0 -0.830 67.8-148.3-101.9 136.2 29.6 40.0 5.7 16 16 A S > - 0 0 48 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.409 32.7-101.0 -92.4 172.0 26.5 39.2 3.6 17 17 A R H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.862 125.6 49.5 -61.7 -33.7 25.3 35.9 2.3 18 18 A D H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 108.0 53.5 -70.7 -41.3 26.7 36.8 -1.1 19 19 A D H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.954 111.6 45.3 -58.3 -51.2 30.1 37.8 0.4 20 20 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.978 112.6 49.4 -58.3 -55.2 30.4 34.4 2.1 21 21 A N H 3X S+ 0 0 53 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.858 109.5 55.2 -51.0 -36.1 29.3 32.5 -1.0 22 22 A L H 3X S+ 0 0 37 -4,-2.6 4,-2.4 2,-0.2 -1,-0.3 0.904 108.0 47.6 -64.1 -41.7 31.9 34.6 -2.9 23 23 A V H + 0 0 53 30,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.723 15.2 172.4-123.0 76.7 47.6 30.7 -8.4 36 36 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.534 80.4 41.4 -62.1 -12.0 51.2 30.7 -6.8 37 37 A E T > S+ 0 0 119 1,-0.1 3,-2.5 3,-0.1 29,-0.1 0.456 79.3 109.1-119.0 -1.2 52.0 34.0 -8.2 38 38 A L T < S+ 0 0 34 -3,-1.3 29,-0.2 1,-0.3 -1,-0.1 0.790 93.5 26.7 -46.6 -41.1 48.7 35.8 -7.7 39 39 A L T > S+ 0 0 2 27,-3.0 3,-1.9 -4,-0.3 -1,-0.3 -0.026 84.6 152.1-114.9 30.4 50.1 38.1 -4.9 40 40 A K T < S+ 0 0 104 -3,-2.5 28,-0.2 1,-0.3 3,-0.1 -0.332 70.5 23.1 -57.1 142.4 53.7 38.1 -6.1 41 41 A H T 3 S+ 0 0 164 26,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.536 95.4 120.4 74.0 6.9 55.3 41.4 -5.0 42 42 A K < - 0 0 69 -3,-1.9 27,-2.7 25,-0.2 2,-0.5 -0.796 51.4-151.7 -98.2 144.8 52.8 41.9 -2.1 43 43 A V E -b 69 0A 46 -2,-0.3 57,-2.6 25,-0.2 58,-0.7 -0.979 12.5-167.4-120.5 121.5 54.2 42.2 1.4 44 44 A I E -bc 70 101A 0 25,-3.0 27,-2.6 -2,-0.5 2,-0.5 -0.910 14.7-137.2-111.1 138.7 51.8 41.1 4.2 45 45 A A E -bc 71 102A 2 56,-2.1 58,-2.5 -2,-0.4 2,-0.9 -0.811 7.2-157.6 -94.1 124.0 52.2 41.7 7.9 46 46 A S E -bc 72 103A 0 25,-3.0 27,-2.0 -2,-0.5 2,-0.9 -0.867 18.5-174.3-103.7 95.6 51.4 38.8 10.2 47 47 A C E +bc 73 104A 1 56,-3.4 58,-2.4 -2,-0.9 2,-1.1 -0.755 12.9 173.6-101.1 92.8 50.7 40.6 13.5 48 48 A F E + c 0 105A 0 25,-2.8 28,-0.6 -2,-0.9 58,-0.2 -0.671 10.5 165.0 -99.9 84.1 50.1 38.3 16.4 49 49 A F S S+ 0 0 17 56,-2.1 2,-0.5 -2,-1.1 27,-0.3 0.733 84.9 45.5 -67.4 -18.9 49.9 40.6 19.4 50 50 A E S S- 0 0 58 55,-1.0 -1,-0.2 -3,-0.2 55,-0.1 -0.992 103.4-119.7-122.4 121.0 48.5 37.4 20.8 51 51 A A + 0 0 45 -2,-0.5 23,-0.1 23,-0.1 -2,-0.1 -0.244 41.5 158.1 -62.0 146.0 50.4 34.2 20.0 52 52 A S > - 0 0 20 -4,-0.1 4,-3.1 1,-0.1 3,-0.4 -0.404 17.2-171.9-170.7 85.0 48.6 31.5 18.1 53 53 A T H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.846 84.3 47.8 -49.8 -51.2 50.8 29.0 16.2 54 54 A R H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.853 118.1 40.7 -63.6 -38.0 48.1 27.1 14.2 55 55 A T H > S+ 0 0 11 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.874 117.0 48.1 -79.7 -40.7 46.3 30.3 13.0 56 56 A R H X S+ 0 0 53 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.973 115.4 44.3 -64.1 -50.5 49.5 32.2 12.3 57 57 A L H X S+ 0 0 85 -4,-3.0 4,-2.0 -5,-0.2 5,-0.2 0.883 114.6 50.3 -62.2 -37.4 51.0 29.2 10.3 58 58 A S H X S+ 0 0 17 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.984 115.1 42.5 -61.7 -54.0 47.7 28.6 8.5 59 59 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 116.5 47.0 -56.4 -53.1 47.5 32.3 7.5 60 60 A E H X S+ 0 0 37 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.814 110.3 52.4 -60.8 -36.4 51.2 32.7 6.6 61 61 A T H X S+ 0 0 52 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.924 108.8 51.5 -66.4 -42.8 51.1 29.5 4.6 62 62 A S H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.925 107.9 53.5 -59.4 -44.1 48.1 30.9 2.7 63 63 A M H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-1.0 0.936 112.1 42.3 -53.9 -51.9 50.1 34.0 2.1 64 64 A H H ><5S+ 0 0 108 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.755 102.9 66.5 -70.2 -24.6 53.0 32.1 0.6 65 65 A R H 3<5S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -27,-0.2 0.700 107.1 44.2 -68.3 -14.8 50.7 29.8 -1.4 66 66 A L T <<5S- 0 0 0 -3,-1.0 -27,-3.0 -4,-0.7 -1,-0.3 0.431 122.1-107.4-105.9 -4.7 49.8 33.0 -3.3 67 67 A G T < 5 + 0 0 14 -3,-0.8 -26,-0.6 1,-0.3 -3,-0.2 0.468 69.2 141.0 95.2 1.2 53.3 34.2 -3.7 68 68 A A < - 0 0 3 -5,-1.8 -1,-0.3 -28,-0.2 2,-0.2 -0.448 48.7-123.6 -82.0 155.3 53.3 37.0 -1.2 69 69 A S E -b 43 0A 65 -27,-2.7 -25,-3.0 -30,-0.3 2,-0.4 -0.624 27.1-146.4 -90.1 155.6 56.2 38.0 1.1 70 70 A V E +b 44 0A 36 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.944 21.2 173.9-130.8 140.5 55.6 38.1 4.9 71 71 A V E +b 45 0A 73 -27,-2.6 -25,-3.0 -2,-0.4 2,-0.3 -0.968 30.9 107.5-135.5 153.0 56.8 40.2 7.8 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.999 44.6-114.0 170.9-166.3 55.5 40.0 11.3 73 73 A F E -b 47 0A 52 -27,-2.0 -25,-2.8 -2,-0.3 2,-0.2 -0.986 13.8-143.4-158.7 161.0 55.7 39.0 14.9 74 74 A S S S+ 0 0 46 -2,-0.3 3,-0.3 1,-0.2 -23,-0.1 -0.747 70.7 6.7-124.3 172.4 54.2 36.8 17.5 75 75 A D S S- 0 0 105 -2,-0.2 2,-1.4 1,-0.2 -1,-0.2 0.704 72.1-142.8 18.8 79.0 53.4 37.0 21.3 76 76 A S - 0 0 24 -28,-0.6 -1,-0.2 -27,-0.3 3,-0.2 -0.520 14.4-166.5 -68.1 96.5 54.3 40.7 21.7 77 77 A A S S+ 0 0 99 -2,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.912 77.9 10.0 -49.6 -46.5 55.9 40.3 25.2 78 78 A N S S- 0 0 102 -3,-0.1 2,-0.6 0, 0.0 -1,-0.2 -0.999 121.9 -56.4-140.1 131.7 55.8 44.1 25.5 79 79 A T - 0 0 36 -2,-0.4 -3,-0.1 5,-0.2 4,-0.1 -0.073 68.0-138.3 40.2 -83.9 54.0 46.6 23.2 80 80 A S S S+ 0 0 11 -2,-0.6 -1,-0.1 1,-0.0 -4,-0.1 0.570 72.7 70.5 91.6 119.0 55.6 45.6 19.9 81 81 A L S S- 0 0 36 13,-0.0 5,-0.2 14,-0.0 13,-0.0 0.677 133.3 -14.2 107.8 81.6 56.7 48.2 17.3 82 82 A G S S- 0 0 63 2,-0.1 3,-0.3 -3,-0.1 4,-0.3 0.991 105.7-115.8 58.5 59.0 59.7 49.8 19.1 83 83 A K S S+ 0 0 116 1,-0.2 -4,-0.2 -5,-0.1 2,-0.1 0.203 78.0 89.5 -25.5 135.7 58.6 48.1 22.3 84 84 A K S S- 0 0 179 2,-0.1 -5,-0.2 -4,-0.0 -1,-0.2 -0.422 95.8 -54.5 171.0 -85.8 57.6 50.6 25.2 85 85 A G S S+ 0 0 60 -3,-0.3 -2,-0.1 -7,-0.1 -3,-0.1 0.265 73.0 143.1-172.3 15.4 54.0 51.8 25.6 86 86 A E - 0 0 69 -4,-0.3 -2,-0.1 -5,-0.2 -7,-0.0 -0.188 55.1 -92.8 -65.3 162.3 52.7 53.4 22.4 87 87 A T > - 0 0 34 1,-0.1 4,-1.7 4,-0.0 -1,-0.1 -0.295 22.8-119.4 -73.0 159.4 49.1 53.0 21.4 88 88 A L H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.833 116.0 62.9 -63.9 -31.7 47.8 50.3 19.1 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 105.0 43.0 -57.7 -46.8 46.8 53.3 16.9 90 90 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 111.0 55.2 -69.0 -37.3 50.4 54.4 16.4 91 91 A T H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 113.1 41.6 -63.0 -47.8 51.6 50.8 15.8 92 92 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.932 109.6 59.1 -67.5 -43.7 49.1 50.3 13.0 93 93 A S H < S+ 0 0 42 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.921 113.5 38.9 -48.2 -50.7 49.8 53.9 11.6 94 94 A V H >< S+ 0 0 48 -4,-2.3 3,-2.5 1,-0.2 4,-0.5 0.974 115.2 48.9 -66.2 -57.8 53.5 52.9 11.2 95 95 A I H >X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.3 3,-1.1 0.790 104.2 62.6 -54.0 -30.7 53.1 49.3 10.0 96 96 A S T 3< S+ 0 0 18 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.602 95.5 59.5 -73.9 -10.0 50.5 50.5 7.4 97 97 A T T <4 S+ 0 0 108 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.603 112.2 42.0 -87.5 -8.8 53.3 52.6 5.8 98 98 A Y T <4 S+ 0 0 154 -3,-1.1 2,-0.2 -4,-0.5 -2,-0.2 0.812 109.7 51.8-102.4 -37.4 55.2 49.3 5.2 99 99 A V < - 0 0 6 -4,-2.0 -55,-0.2 1,-0.1 3,-0.1 -0.629 58.3-140.2-114.2 168.1 52.6 46.8 4.1 100 100 A D S S+ 0 0 60 -57,-2.6 2,-0.3 1,-0.3 -56,-0.2 0.580 93.5 5.2 -90.9 -19.4 49.9 46.0 1.6 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.1 21,-0.2 2,-0.5 -0.946 65.2-143.1-163.1 148.1 47.6 44.2 4.1 102 102 A I E -cd 45 124A 0 21,-2.8 23,-2.6 -2,-0.3 2,-0.5 -0.986 9.1-170.8-120.9 126.5 47.7 43.6 7.8 103 103 A V E +cd 46 125A 0 -58,-2.5 -56,-3.4 -2,-0.5 2,-0.3 -0.967 23.7 177.1-110.7 125.6 46.5 40.3 9.4 104 104 A M E -cd 47 126A 0 21,-2.1 23,-3.2 -2,-0.5 24,-0.6 -0.993 28.3-164.8-141.1 146.2 46.3 40.6 13.2 105 105 A R E +cd 48 128A 30 -58,-2.4 -56,-2.1 -2,-0.3 -55,-1.0 -0.984 22.0 174.9-123.8 134.4 45.3 38.7 16.3 106 106 A H E - d 0 129A 14 22,-3.3 24,-2.6 -2,-0.4 6,-0.1 -0.989 37.7-133.2-143.9 146.5 44.9 40.7 19.6 107 107 A P S S+ 0 0 53 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.598 86.3 82.0 -76.1 -11.7 43.7 39.8 23.2 108 108 A Q S > S- 0 0 59 22,-0.2 3,-1.7 23,-0.0 4,-0.3 -0.841 83.8-121.4-104.1 128.8 41.5 42.9 23.3 109 109 A E T 3 S+ 0 0 14 -2,-0.5 316,-2.6 314,-0.3 317,-0.3 -0.380 99.7 27.5 -59.6 133.4 38.0 43.0 21.7 110 110 A G T >> S+ 0 0 0 19,-0.3 4,-2.6 340,-0.2 3,-0.5 0.081 82.6 118.4 101.5 -23.2 37.8 45.8 19.1 111 111 A A H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 5,-0.2 0.827 74.2 50.1 -45.5 -47.8 41.5 45.8 18.2 112 112 A A H 3> S+ 0 0 0 -4,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.908 112.7 45.9 -65.6 -39.8 40.9 44.8 14.6 113 113 A R H <> S+ 0 0 43 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.882 110.8 53.1 -71.0 -35.3 38.3 47.5 14.0 114 114 A L H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.942 105.9 53.8 -62.7 -45.2 40.4 50.2 15.7 115 115 A A H >X S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 4,-1.4 0.843 99.4 64.7 -54.8 -34.9 43.3 49.3 13.4 116 116 A T H 3< S+ 0 0 31 -4,-1.2 4,-0.5 1,-0.3 -1,-0.3 0.867 96.8 55.8 -57.2 -38.7 40.9 49.9 10.5 117 117 A E T << S+ 0 0 70 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.444 117.3 33.8 -77.9 0.1 40.7 53.6 11.5 118 118 A F T <4 S+ 0 0 51 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.424 97.1 80.5-130.3 -5.2 44.5 54.0 11.3 119 119 A S S >< S- 0 0 1 -4,-1.4 3,-1.5 1,-0.2 2,-0.4 0.718 70.2-167.1 -81.5 -13.9 45.5 51.7 8.5 120 120 A G T 3 S- 0 0 62 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 -0.508 71.8 -4.5 68.6-123.1 44.6 54.1 5.7 121 121 A N T 3 S+ 0 0 131 -2,-0.4 -1,-0.3 -25,-0.1 -2,-0.1 0.532 114.0 102.3 -80.7 -3.8 44.5 52.3 2.3 122 122 A V < - 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0 0 102 -6,-0.4 -2,-0.2 1,-0.1 -3,-0.1 -0.981 60.2-140.5-163.5 173.1 25.0 23.2 0.9 152 152 A L S S+ 0 0 3 -2,-0.3 2,-0.3 -6,-0.1 3,-0.3 0.307 80.6 83.1-119.8 0.5 24.6 25.7 3.7 153 153 A D S S+ 0 0 43 1,-0.2 28,-0.2 26,-0.1 29,-0.0 -0.739 90.6 12.7-108.6 154.1 20.8 25.7 3.7 154 154 A N S S+ 0 0 94 26,-2.8 2,-0.3 -2,-0.3 28,-0.2 0.924 85.9 153.1 46.0 59.7 18.4 23.3 5.4 155 155 A L - 0 0 0 -3,-0.3 28,-3.7 25,-0.1 2,-0.8 -0.869 48.6-132.0-117.9 151.2 21.0 21.6 7.6 156 156 A H E -e 183 0B 57 -2,-0.3 67,-2.7 26,-0.2 68,-1.6 -0.903 35.9-172.3-100.2 103.0 20.7 19.9 11.0 157 157 A V E -ef 184 224B 0 26,-3.6 28,-2.3 -2,-0.8 2,-0.4 -0.884 12.5-166.3-111.2 122.6 23.6 21.5 13.0 158 158 A A E -ef 185 225B 0 66,-2.8 68,-3.1 -2,-0.6 2,-0.5 -0.844 0.7-168.1-102.1 135.7 24.7 20.4 16.4 159 159 A M E -ef 186 226B 0 26,-3.0 28,-2.5 -2,-0.4 2,-0.3 -0.997 11.4-178.3-125.0 123.0 27.0 22.6 18.5 160 160 A V E +ef 187 227B 1 66,-2.5 68,-1.4 -2,-0.5 2,-0.4 -0.928 39.3 29.9-123.5 147.6 28.6 21.0 21.6 161 161 A G S S+ 0 0 0 26,-1.6 2,-1.2 -2,-0.3 3,-0.2 -0.940 107.8 3.3 121.3-136.8 30.8 22.3 24.3 162 162 A D > + 0 0 5 -2,-0.4 4,-1.5 1,-0.2 7,-0.2 -0.742 60.8 164.4 -94.2 84.5 31.3 25.8 25.8 163 163 A L T 4 + 0 0 1 29,-1.3 30,-0.2 -2,-1.2 -1,-0.2 0.738 67.5 64.2 -76.2 -17.4 28.6 27.6 23.9 164 164 A K T 4 S+ 0 0 83 28,-1.1 -1,-0.2 30,-0.2 29,-0.1 0.943 117.8 14.5 -72.3 -50.3 28.8 30.4 26.3 165 165 A Y T 4 S+ 0 0 85 27,-0.1 2,-0.3 29,-0.0 -2,-0.2 0.795 91.8 108.0-100.9 -29.7 32.2 31.7 25.7 166 166 A G X - 0 0 21 -4,-1.5 4,-1.2 1,-0.2 3,-0.4 -0.329 47.8-164.0 -57.5 111.6 33.4 30.2 22.5 167 167 A R H > S+ 0 0 31 -2,-0.3 4,-2.6 1,-0.2 -33,-0.2 0.795 84.6 65.3 -65.2 -29.8 33.5 33.0 19.9 168 168 A T H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 103.3 44.6 -61.0 -43.5 33.7 30.5 17.0 169 169 A V H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.818 112.9 49.7 -73.5 -32.8 30.2 29.0 17.8 170 170 A H H X S+ 0 0 15 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.977 115.5 45.4 -65.8 -50.0 28.6 32.3 18.2 171 171 A S H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.870 113.7 47.0 -58.7 -44.6 30.1 33.4 14.9 172 172 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.889 109.6 55.5 -68.0 -39.0 29.2 30.2 13.1 173 173 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.973 109.4 45.4 -57.7 -54.7 25.7 30.3 14.4 174 174 A Q H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.7 52.4 -56.6 -36.2 25.1 33.9 13.0 175 175 A A H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.886 111.0 46.5 -69.7 -37.2 26.7 33.0 9.7 176 176 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 -3,-0.3 6,-0.2 0.747 101.0 65.9 -76.9 -23.4 24.4 30.0 9.2 177 177 A A T 3< S+ 0 0 8 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.342 89.2 69.0 -78.2 7.8 21.4 32.0 10.3 178 178 A K T < S+ 0 0 40 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.382 95.4 69.6-100.4 -1.3 22.0 34.0 7.0 179 179 A F S X S- 0 0 7 -3,-1.5 3,-0.5 -27,-0.1 2,-0.2 -0.835 93.9 -99.3-116.4 154.5 20.9 30.9 5.2 180 180 A D T 3 S- 0 0 94 -2,-0.3 -26,-2.8 1,-0.2 -25,-0.1 -0.477 85.1 -0.4 -82.9 142.4 17.5 29.4 5.1 181 181 A G T 3 S+ 0 0 53 -28,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.688 71.8 159.6 63.1 29.8 16.1 26.5 7.1 182 182 A N < - 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