==== 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 27-MAY-03 1PG5 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR D.DE VOS,F.VAN PETEGEM,H.REMAUT,C.LEGRAIN,N.GLANSDORFF,J.J.V . 440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 3 2 1 0 1 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 1 2 1 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 1 1 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 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 L 0 0 58 0, 0.0 3,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 139.9 93.0 35.8 73.1 2 2 A K + 0 0 104 1,-0.6 2,-0.3 111,-0.1 288,-0.1 0.123 360.0 32.5-145.8 -89.3 91.3 38.8 71.6 3 3 A H - 0 0 45 109,-0.2 2,-0.6 111,-0.1 -1,-0.6 -0.616 63.1-161.3 -75.2 138.7 90.9 38.8 67.7 4 4 A I B +a 114 0A 0 109,-2.5 111,-2.9 -2,-0.3 121,-0.2 -0.823 40.3 133.1-118.8 90.2 90.4 35.3 66.3 5 5 A I + 0 0 26 -2,-0.6 2,-0.3 1,-0.3 98,-0.1 0.812 65.7 25.2-110.9 -30.0 91.3 35.7 62.6 6 6 A S S > S- 0 0 18 -3,-0.2 3,-2.1 117,-0.1 -1,-0.3 -0.938 74.7-117.0-131.0 154.5 93.6 32.9 61.8 7 7 A A G > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.758 113.5 70.1 -60.3 -23.2 94.2 29.4 63.2 8 8 A Y G 3 S+ 0 0 73 1,-0.2 -1,-0.3 158,-0.0 -4,-0.0 0.609 78.1 77.2 -67.9 -19.1 97.7 30.8 64.1 9 9 A N G < S+ 0 0 57 -3,-2.1 2,-0.4 2,-0.0 -1,-0.2 0.682 85.5 78.5 -60.1 -23.2 96.2 33.1 66.8 10 10 A F < - 0 0 1 -3,-1.2 2,-0.2 -4,-0.3 -6,-0.0 -0.790 67.6-154.6 -90.7 133.5 95.9 29.9 69.0 11 11 A S > - 0 0 43 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.589 33.7-108.3 -88.8 165.4 98.8 28.4 70.9 12 12 A R H > S+ 0 0 90 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.929 122.3 52.5 -58.1 -41.4 98.9 24.7 71.9 13 13 A D H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.851 108.7 48.9 -60.0 -40.0 98.3 25.8 75.5 14 14 A E H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 109.7 52.4 -72.8 -37.9 95.3 27.9 74.6 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 106.0 52.3 -61.3 -39.6 93.8 25.0 72.6 16 16 A E H X S+ 0 0 72 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.885 110.9 50.7 -68.6 -31.8 94.2 22.5 75.6 17 17 A D H X S+ 0 0 71 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.894 107.0 50.6 -66.6 -43.4 92.3 25.0 77.7 18 18 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.850 107.7 55.9 -63.4 -37.3 89.5 25.4 75.2 19 19 A F H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 107.6 47.8 -63.3 -45.0 89.2 21.6 75.1 20 20 A A H X S+ 0 0 58 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.889 112.6 48.1 -63.5 -38.2 88.7 21.4 78.8 21 21 A L H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.877 108.8 54.7 -70.7 -35.0 86.2 24.2 78.8 22 22 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 105.7 52.2 -63.1 -42.4 84.4 22.5 76.0 23 23 A D H X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.947 112.1 47.3 -50.6 -49.1 84.1 19.2 78.0 24 24 A K H < S+ 0 0 98 -4,-1.7 5,-0.5 1,-0.2 3,-0.4 0.938 114.8 43.8 -65.8 -45.2 82.6 21.2 80.9 25 25 A Y H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.734 108.1 58.7 -73.3 -34.7 80.1 23.1 78.7 26 26 A S H < S+ 0 0 40 -4,-2.3 2,-2.5 1,-0.2 -1,-0.2 0.849 89.3 71.2 -49.0 -48.6 79.1 20.0 76.7 27 27 A K S < S- 0 0 147 -4,-1.4 2,-2.1 -3,-0.4 -1,-0.2 -0.458 101.3-143.9 -76.8 67.6 78.0 18.3 80.0 28 28 A N + 0 0 117 -2,-2.5 -1,-0.1 -3,-0.1 -3,-0.1 -0.055 28.5 178.2 -61.8 53.3 75.3 20.9 79.6 29 29 A L > - 0 0 89 -2,-2.1 3,-0.6 -5,-0.5 -1,-0.1 0.115 37.2-126.2 -61.9 164.3 74.7 21.9 83.2 30 30 A N T 3 S+ 0 0 166 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 0.297 100.4 69.7 -93.4 9.2 72.1 24.6 84.1 31 31 A D T 3 + 0 0 115 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 0.000 62.4 152.3-113.7 24.1 74.8 26.6 86.1 32 32 A T < - 0 0 31 -3,-0.6 2,-0.3 1,-0.1 -4,-0.0 -0.396 53.7-110.0 -65.3 134.1 77.0 27.9 83.3 33 33 A R - 0 0 191 1,-0.1 2,-1.6 -2,-0.1 -1,-0.1 -0.496 23.0-134.3 -66.0 125.8 78.7 31.1 84.3 34 34 A K > + 0 0 113 -2,-0.3 3,-2.1 1,-0.2 29,-0.1 -0.469 37.4 164.2 -93.1 67.6 77.1 34.0 82.3 35 35 A I T 3 S+ 0 0 35 -2,-1.6 -1,-0.2 1,-0.3 29,-0.1 0.484 73.4 51.7 -62.0 -11.9 80.4 35.7 81.3 36 36 A L T > S+ 0 0 0 27,-2.4 3,-2.4 24,-0.1 -1,-0.3 0.104 75.1 140.3-113.8 16.6 78.6 37.8 78.6 37 37 A S T < S+ 0 0 83 -3,-2.1 28,-0.2 1,-0.3 3,-0.1 -0.423 77.0 12.8 -64.4 136.5 75.9 39.1 80.8 38 38 A G T 3 S+ 0 0 66 26,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.527 107.7 114.7 70.5 4.6 75.3 42.7 80.0 39 39 A K < - 0 0 77 -3,-2.4 27,-2.3 25,-0.2 2,-0.5 -0.816 54.3-150.6-109.2 149.2 77.3 42.4 76.7 40 40 A T E -b 66 0A 31 -2,-0.3 50,-3.3 25,-0.2 51,-0.5 -0.982 8.4-166.0-114.7 123.2 76.1 42.6 73.1 41 41 A I E -bc 67 91A 2 25,-2.6 27,-1.6 -2,-0.5 2,-0.4 -0.953 12.5-146.3 -99.1 130.3 77.9 40.6 70.4 42 42 A S E -bc 68 92A 1 49,-2.9 51,-2.6 -2,-0.5 2,-0.7 -0.792 1.0-152.1 -99.9 139.0 77.0 41.6 66.8 43 43 A I E -bc 69 93A 0 25,-3.2 27,-2.5 -2,-0.4 2,-0.8 -0.923 14.2-175.2-108.8 107.0 77.0 38.9 64.2 44 44 A A E +bc 70 94A 0 49,-2.4 51,-1.6 -2,-0.7 2,-1.3 -0.781 6.8 173.9-108.3 83.8 77.9 40.6 60.9 45 45 A F E +bc 71 95A 0 25,-2.2 27,-2.4 -2,-0.8 51,-0.1 -0.666 7.3 170.3-102.6 80.6 77.5 37.9 58.2 46 46 A F S S+ 0 0 35 49,-1.3 -1,-0.2 -2,-1.3 50,-0.2 0.826 83.6 43.9 -56.1 -34.2 78.1 39.9 55.0 47 47 A E S S- 0 0 52 48,-1.2 -1,-0.1 -3,-0.2 48,-0.1 -0.974 106.6-124.6-110.2 120.0 78.2 36.5 53.3 48 48 A P + 0 0 79 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.343 39.0 161.7 -69.5 150.4 75.3 34.5 54.8 49 49 A S > - 0 0 24 -4,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.620 14.9-170.2-159.5 107.2 75.4 31.1 56.6 50 50 A T H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.875 86.2 57.2 -63.6 -40.8 72.5 30.1 58.8 51 51 A R H > S+ 0 0 127 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.928 116.0 36.6 -56.2 -48.0 74.1 27.1 60.3 52 52 A T H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.863 113.4 56.4 -80.2 -35.5 77.0 29.2 61.6 53 53 A Y H X S+ 0 0 40 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.977 111.6 44.0 -54.2 -47.2 75.0 32.2 62.4 54 54 A L H X S+ 0 0 88 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.817 109.4 57.3 -74.3 -28.9 72.8 30.2 64.7 55 55 A S H X S+ 0 0 17 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.3 0.925 111.1 39.9 -72.3 -41.4 75.7 28.4 66.2 56 56 A F H X S+ 0 0 2 -4,-1.9 4,-3.0 -3,-0.2 5,-0.2 0.928 114.1 56.9 -71.6 -39.4 77.4 31.6 67.4 57 57 A Q H X S+ 0 0 63 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.904 108.4 45.6 -52.1 -45.2 74.0 33.0 68.4 58 58 A K H X S+ 0 0 103 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 112.1 51.2 -73.9 -40.6 73.3 30.1 70.7 59 59 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.948 111.7 47.8 -57.4 -45.9 76.8 30.2 72.2 60 60 A I H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 3,-0.5 0.927 114.1 46.2 -64.7 -46.1 76.4 33.9 72.9 61 61 A I H ><5S+ 0 0 82 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.872 106.1 58.1 -60.9 -39.5 73.0 33.3 74.5 62 62 A N H 3<5S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.8 49.7 -61.2 -28.3 74.2 30.3 76.6 63 63 A L T 3<5S- 0 0 0 -4,-1.2 -27,-2.4 -3,-0.5 -1,-0.3 0.279 124.6-103.0 -96.9 7.7 76.7 32.8 78.1 64 64 A G T < 5S+ 0 0 23 -3,-1.7 -26,-0.5 1,-0.3 -3,-0.2 0.434 74.1 137.7 92.0 -5.2 74.2 35.4 78.8 65 65 A G < - 0 0 8 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.351 51.2-123.7 -71.2 152.8 74.9 37.8 76.0 66 66 A D E -b 40 0A 100 -27,-2.3 -25,-2.6 -30,-0.3 2,-0.4 -0.774 27.1-141.9 -82.8 141.5 72.4 39.8 73.7 67 67 A V E +b 41 0A 36 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.941 24.7 167.8-110.6 129.4 72.7 39.2 70.0 68 68 A I E +b 42 0A 67 -27,-1.6 -25,-3.2 -2,-0.4 2,-0.3 -0.925 23.1 129.7-123.0 158.2 72.3 41.7 67.1 69 69 A G E -b 43 0A 37 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -1.000 37.2-130.8-178.4 178.9 73.3 41.0 63.6 70 70 A F E -b 44 0A 62 -27,-2.5 -25,-2.2 -2,-0.3 2,-0.4 -0.975 8.7-147.4-147.7 170.8 72.6 40.9 60.0 71 71 A S E -b 45 0A 69 -2,-0.3 -25,-0.2 -27,-0.1 2,-0.1 -0.964 57.6 -10.5-143.4 113.8 72.9 38.5 57.1 72 72 A G 0 0 18 -27,-2.4 -25,-0.1 -2,-0.4 -27,-0.0 -0.362 360.0 360.0 103.8-174.7 73.6 39.5 53.5 73 73 A E 0 0 148 -2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.328 360.0 360.0 54.0 360.0 73.8 42.8 51.3 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 81 A G 0 0 143 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.1 78.2 51.1 48.4 76 82 A E - 0 0 126 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.690 360.0-122.3 -84.9 116.6 79.3 51.1 52.2 77 83 A N > - 0 0 29 -2,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.087 16.1-123.7 -36.1 132.6 83.0 50.3 53.0 78 84 A L H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 114.0 59.2 -53.4 -44.9 83.8 47.3 55.4 79 85 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 103.0 49.5 -54.0 -40.2 85.6 49.9 57.6 80 86 A D H > S+ 0 0 73 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.905 111.3 49.1 -70.2 -31.1 82.5 52.0 58.1 81 87 A T H X S+ 0 0 6 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.953 109.5 51.4 -72.9 -45.7 80.4 49.0 59.1 82 88 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 109.2 51.9 -55.0 -43.2 83.1 47.9 61.5 83 89 A R H X S+ 0 0 97 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.926 109.4 48.6 -57.7 -47.4 83.0 51.4 63.0 84 90 A M H >X S+ 0 0 53 -4,-2.2 4,-1.7 1,-0.2 3,-0.9 0.932 108.7 53.4 -60.8 -47.9 79.3 51.4 63.5 85 91 A L H 3X S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.847 102.2 60.3 -60.5 -33.6 79.4 47.9 65.1 86 92 A N H 3< S+ 0 0 37 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.863 105.0 47.4 -59.2 -37.8 81.9 49.3 67.5 87 93 A N H << S+ 0 0 137 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.914 120.9 39.3 -62.4 -38.6 79.2 51.9 68.6 88 94 A Y H < S+ 0 0 137 -4,-1.7 2,-0.3 2,-0.0 -2,-0.2 0.522 116.1 28.9 -92.3 -12.5 76.6 49.1 69.0 89 95 A S < - 0 0 7 -4,-1.6 -48,-0.2 -5,-0.2 22,-0.1 -0.903 56.7-129.0-153.3 171.4 78.4 46.2 70.4 90 96 A D S S+ 0 0 56 -50,-3.3 2,-0.3 -2,-0.3 -49,-0.2 0.331 93.4 1.6-105.8 -5.5 81.2 44.6 72.5 91 97 A G E -c 41 0A 0 -51,-0.5 -49,-2.9 20,-0.2 2,-0.4 -0.917 63.7-134.9-172.5 163.7 82.5 42.2 69.9 92 98 A I E -cd 42 113A 2 20,-2.9 22,-2.5 -2,-0.3 2,-0.5 -0.978 6.4-167.6-129.5 133.9 81.9 41.1 66.3 93 99 A V E -cd 43 114A 1 -51,-2.6 -49,-2.4 -2,-0.4 2,-0.4 -0.974 29.0-177.2-110.9 121.7 81.7 37.7 64.6 94 100 A M E -cd 44 115A 0 20,-2.8 22,-3.5 -2,-0.5 2,-0.4 -0.945 25.8-167.1-130.2 153.7 81.9 38.2 60.9 95 101 A R E +c 45 0A 23 -51,-1.6 -49,-1.3 -2,-0.4 -48,-1.2 -0.995 22.9 172.9-132.3 126.9 81.7 36.2 57.7 96 102 A H E - d 0 118A 16 21,-2.8 23,-3.3 -2,-0.4 5,-0.1 -0.987 40.2-133.9-141.0 152.4 82.8 37.8 54.5 97 103 A K S S+ 0 0 115 -2,-0.3 2,-0.4 21,-0.2 23,-0.1 0.665 84.2 82.2 -75.6 -16.2 83.5 37.0 50.8 98 104 A Y S > S- 0 0 45 21,-0.2 3,-1.6 22,-0.1 4,-0.2 -0.772 84.0-118.3 -97.5 130.0 86.9 38.8 50.6 99 105 A D B 3 S+f 401 0B 15 301,-2.2 303,-2.7 -2,-0.4 304,-0.3 -0.458 100.4 20.8 -57.7 132.0 90.1 37.2 51.8 100 106 A G T 3> S+ 0 0 0 18,-0.2 4,-2.6 301,-0.2 -1,-0.2 0.422 83.7 127.2 92.4 0.4 91.6 39.1 54.7 101 107 A A H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.3 -2,-0.1 0.869 74.7 44.3 -61.9 -40.2 88.4 40.8 55.6 102 108 A S H > S+ 0 0 0 2,-0.2 4,-2.4 -4,-0.2 -1,-0.3 0.830 110.1 55.4 -72.4 -41.1 88.5 39.8 59.2 103 109 A R H > S+ 0 0 81 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.958 111.3 45.2 -51.0 -51.3 92.2 40.7 59.5 104 110 A F H >X S+ 0 0 5 -4,-2.6 4,-1.2 1,-0.2 3,-0.9 0.913 112.1 50.7 -64.0 -42.5 91.4 44.1 58.2 105 111 A A H >X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 3,-0.6 0.918 104.9 58.0 -60.0 -39.4 88.3 44.5 60.5 106 112 A S H 3< S+ 0 0 12 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.752 106.0 49.4 -64.4 -26.7 90.4 43.5 63.5 107 113 A E H << S+ 0 0 94 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.692 114.0 43.6 -85.0 -24.1 92.7 46.4 62.8 108 114 A I H << S+ 0 0 50 -4,-1.2 2,-0.2 -3,-0.6 -2,-0.2 0.776 106.7 80.1 -78.9 -31.6 90.0 49.0 62.5 109 115 A S < - 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0 0 52 -6,-0.4 -2,-0.4 -5,-0.1 -1,-0.1 -0.973 52.9-162.7-176.4 160.5 95.7 13.1 71.4 141 147 A I S > S+ 0 0 2 -2,-0.3 3,-1.4 -3,-0.1 2,-0.1 0.411 74.6 89.6-122.7 -34.2 96.5 14.9 68.2 142 148 A D T 3 S+ 0 0 50 1,-0.2 0, 0.0 28,-0.1 0, 0.0 -0.452 92.3 22.5 -60.6 141.7 100.2 14.2 68.2 143 149 A G T 3 S+ 0 0 41 26,-2.6 -1,-0.2 1,-0.2 2,-0.0 0.309 91.3 130.8 89.1 -8.2 101.1 11.0 66.4 144 150 A L < - 0 0 9 -3,-1.4 27,-1.9 27,-0.1 28,-1.3 -0.292 52.4-135.8 -83.5 163.8 98.0 10.7 64.3 145 151 A V E -g 172 0C 7 26,-0.2 64,-2.2 25,-0.2 65,-1.6 -0.994 28.4-168.8-122.0 123.6 97.9 10.0 60.5 146 152 A F E -gh 173 210C 0 26,-2.8 28,-2.8 -2,-0.5 2,-0.4 -0.723 14.3-162.9-111.1 155.6 95.5 12.3 58.7 147 153 A A E -gh 174 211C 2 63,-1.9 65,-3.0 -2,-0.3 2,-0.5 -0.943 4.0-161.1-143.9 130.2 94.0 12.3 55.2 148 154 A L E -gh 175 212C 1 26,-2.8 28,-2.9 -2,-0.4 2,-0.4 -0.919 17.8-167.0-103.7 131.9 92.4 15.3 53.7 149 155 A L E +gh 176 213C 0 63,-2.5 65,-2.7 -2,-0.5 2,-0.5 -0.968 43.5 11.8-133.6 121.4 90.2 14.3 50.7 150 156 A G E S+ h 0 214C 0 26,-2.5 2,-0.7 -2,-0.4 65,-0.2 -0.959 110.0 13.6 127.7-126.4 88.6 16.4 48.0 151 157 A D + 0 0 16 63,-0.5 7,-0.2 -2,-0.5 31,-0.1 -0.813 56.4 163.5 -91.4 117.9 89.2 20.0 47.3 152 158 A L + 0 0 1 29,-2.2 32,-0.3 -2,-0.7 30,-0.1 0.241 65.7 59.4-115.2 8.4 92.3 21.2 49.1 153 159 A K S S+ 0 0 53 30,-0.2 31,-0.2 28,-0.1 29,-0.1 0.804 113.5 26.2-102.7 -46.9 93.0 24.4 47.2 154 160 A Y S S+ 0 0 40 27,-0.1 2,-0.7 29,-0.1 -2,-0.1 -0.001 92.1 106.0-111.8 25.3 89.9 26.6 47.6 155 161 A A > - 0 0 16 1,-0.1 4,-2.0 -34,-0.1 3,-0.5 -0.873 50.1-162.2-111.9 110.7 88.5 25.3 51.0 156 162 A R H > S+ 0 0 37 -2,-0.7 4,-1.8 1,-0.2 -33,-0.7 0.765 89.6 59.3 -63.5 -21.5 89.1 27.6 53.9 157 163 A T H > S+ 0 0 19 2,-0.2 4,-2.4 -35,-0.2 -1,-0.2 0.880 105.3 48.8 -72.7 -39.8 88.5 24.8 56.5 158 164 A V H > S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 5,-0.3 0.919 110.3 52.3 -63.2 -42.4 91.4 22.8 55.1 159 165 A N H X S+ 0 0 16 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.920 113.0 43.6 -62.2 -38.5 93.5 25.9 55.2 160 166 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.872 113.6 50.5 -75.8 -37.0 92.6 26.4 58.9 161 167 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.935 110.0 49.5 -65.4 -45.6 93.0 22.8 59.8 162 168 A L H < S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.916 114.9 45.3 -61.6 -40.9 96.5 22.5 58.2 163 169 A R H >< S+ 0 0 7 -4,-1.8 3,-1.1 -5,-0.3 -1,-0.2 0.900 111.8 49.8 -66.5 -39.4 97.7 25.7 60.0 164 170 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.809 100.2 66.1 -73.0 -25.4 96.2 24.7 63.4 165 171 A L G >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.725 83.4 75.7 -71.6 -16.4 97.8 21.3 63.2 166 172 A T G < S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.511 84.3 64.5 -68.1 -6.0 101.3 23.0 63.3 167 173 A R G < S+ 0 0 75 -3,-1.8 -1,-0.3 -156,-0.1 2,-0.2 0.471 109.8 44.2 -91.7 -1.8 100.7 23.6 67.1 168 174 A F S < S- 0 0 2 -3,-1.6 -26,-0.1 -4,-0.2 -156,-0.0 -0.500 90.7-108.2-123.9-177.3 100.8 19.8 67.4 169 175 A R - 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