==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-11 3VHR . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP5F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,T.YOSHIKAZU,J.M.M.CAAVEIRO,K.TSUMOTO . 343 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 36 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 1 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 3 0 1 4 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 . 1 1 0 1 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 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 X 0 0 95 0, 0.0 26,-1.6 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 142.2 -1.3 24.2 -10.2 2 2 A N E -a 27 0A 29 44,-0.2 46,-3.5 24,-0.2 47,-1.3 -0.807 360.0-178.3 -85.5 113.7 2.2 24.1 -11.4 3 3 A I E -ab 28 49A 0 24,-2.7 26,-3.4 -2,-0.8 2,-0.4 -0.956 11.1-159.8-116.2 125.4 4.3 25.9 -8.8 4 4 A V E -ab 29 50A 0 45,-2.5 47,-3.1 -2,-0.5 2,-0.5 -0.838 1.4-160.7-103.1 147.1 8.1 26.5 -9.1 5 5 A I E > -ab 30 51A 0 24,-2.1 26,-2.7 -2,-0.4 3,-0.6 -0.979 4.9-156.8-127.2 113.4 10.3 27.3 -6.2 6 6 A T E 3 S+ b 0 52A 0 45,-2.3 47,-0.7 -2,-0.5 26,-0.2 -0.546 84.0 27.3 -86.0 159.5 13.7 28.8 -6.8 7 7 A G T > S+ 0 0 17 46,-0.2 3,-1.6 -2,-0.2 6,-0.4 0.895 78.9 164.3 50.6 41.6 16.4 28.3 -4.1 8 8 A A T < + 0 0 2 23,-2.4 9,-0.2 -3,-0.6 24,-0.2 0.754 66.4 57.6 -62.6 -26.5 14.4 25.1 -3.3 9 9 A K T 3 S+ 0 0 112 22,-0.2 -1,-0.3 4,-0.2 23,-0.1 0.617 90.4 98.0 -80.2 -13.7 17.3 23.8 -1.3 10 10 A G S <> S- 0 0 35 -3,-1.6 4,-2.3 -4,-0.1 5,-0.2 0.077 92.3 -90.8 -65.7-178.9 17.3 26.8 1.1 11 11 A F H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.973 126.4 35.2 -61.4 -60.3 15.7 27.1 4.6 12 12 A V H > S+ 0 0 13 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.923 115.0 62.1 -59.9 -43.5 12.3 28.5 3.5 13 13 A G H > S+ 0 0 1 -6,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.899 104.6 42.8 -48.9 -57.8 12.5 26.3 0.4 14 14 A K H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.858 116.6 50.6 -58.4 -37.5 12.6 22.9 2.1 15 15 A N H X S+ 0 0 7 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.968 112.9 43.5 -68.1 -52.5 9.9 24.1 4.5 16 16 A L H X S+ 0 0 0 -4,-3.4 4,-3.3 2,-0.2 -2,-0.2 0.906 115.3 49.9 -54.1 -46.9 7.5 25.3 1.8 17 17 A K H X S+ 0 0 66 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.950 110.5 48.0 -61.5 -52.2 8.1 22.2 -0.3 18 18 A A H X S+ 0 0 33 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.928 117.1 44.3 -54.6 -47.6 7.5 19.8 2.5 19 19 A D H X S+ 0 0 49 -4,-2.5 4,-1.6 -5,-0.2 3,-0.3 0.919 112.6 50.6 -63.6 -46.3 4.3 21.7 3.4 20 20 A L H X S+ 0 0 1 -4,-3.3 4,-1.0 1,-0.2 6,-0.3 0.848 110.6 47.6 -64.7 -37.0 3.1 22.1 -0.2 21 21 A T H < S+ 0 0 74 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.748 116.0 47.2 -74.0 -20.9 3.5 18.4 -1.1 22 22 A S H < S+ 0 0 97 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.735 122.5 27.1 -89.3 -28.1 1.7 17.4 2.2 23 23 A T H < S+ 0 0 84 -4,-1.6 2,-0.3 -5,-0.1 -2,-0.2 0.332 115.6 44.5-126.8 2.7 -1.3 19.7 2.2 24 24 A T < - 0 0 33 -4,-1.0 0, 0.0 -5,-0.2 0, 0.0 -0.925 66.4-130.8-139.6 170.1 -2.2 20.6 -1.4 25 25 A D + 0 0 156 -2,-0.3 -4,-0.1 2,-0.1 2,-0.1 0.223 64.3 128.3-103.6 10.5 -2.5 18.7 -4.8 26 26 A H - 0 0 53 -6,-0.3 2,-0.6 1,-0.1 -24,-0.2 -0.348 64.8-116.5 -66.8 144.2 -0.3 21.2 -6.7 27 27 A H E -a 2 0A 122 -26,-1.6 -24,-2.7 -2,-0.1 2,-0.6 -0.749 30.4-149.8 -82.2 122.3 2.7 20.0 -8.7 28 28 A I E -a 3 0A 30 -2,-0.6 2,-0.7 -26,-0.2 -24,-0.2 -0.847 10.5-165.7-100.7 121.6 5.8 21.3 -7.2 29 29 A F E -a 4 0A 52 -26,-3.4 -24,-2.1 -2,-0.6 2,-0.5 -0.915 12.3-158.0-105.4 107.9 8.8 22.0 -9.5 30 30 A E E -a 5 0A 90 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.744 11.0-176.6 -88.6 128.4 11.9 22.6 -7.4 31 31 A V + 0 0 2 -26,-2.7 -23,-2.4 -2,-0.5 2,-0.2 -0.962 12.1 151.9-124.3 146.6 14.8 24.5 -8.9 32 32 A H > - 0 0 49 -2,-0.4 3,-1.3 -25,-0.2 8,-0.0 -0.743 59.2 -62.7-151.2-167.5 18.2 25.1 -7.3 33 33 A R T 3 S+ 0 0 231 1,-0.2 -27,-0.0 -2,-0.2 -2,-0.0 0.796 127.4 47.3 -66.2 -30.4 21.9 25.7 -8.1 34 34 A Q T 3 S+ 0 0 115 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.297 81.3 122.7 -97.5 14.2 22.5 22.3 -9.8 35 35 A T < - 0 0 27 -3,-1.3 -4,-0.1 1,-0.1 5,-0.0 -0.592 65.3-120.6 -73.7 127.2 19.4 22.5 -12.0 36 36 A K >> - 0 0 118 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.341 18.9-116.3 -66.8 149.5 20.3 22.2 -15.7 37 37 A E H 3> S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 116.4 54.2 -55.2 -41.1 19.3 25.1 -18.0 38 38 A E H 3> S+ 0 0 135 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.818 111.1 46.1 -62.3 -31.9 16.9 22.7 -20.0 39 39 A E H <> S+ 0 0 93 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.836 112.3 50.2 -80.6 -33.8 15.2 21.8 -16.7 40 40 A L H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.902 112.5 46.6 -64.7 -44.1 14.9 25.4 -15.5 41 41 A E H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.900 110.4 52.0 -70.1 -40.9 13.4 26.6 -18.7 42 42 A S H X S+ 0 0 65 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.898 111.4 48.8 -60.5 -42.9 10.9 23.8 -18.9 43 43 A A H >X S+ 0 0 4 -4,-1.6 4,-1.0 1,-0.2 3,-0.7 0.944 112.3 44.5 -62.8 -52.7 9.7 24.5 -15.4 44 44 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.6 57.7 -67.6 -30.6 9.3 28.3 -15.8 45 45 A L H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 -5,-0.2 30,-0.2 0.747 115.4 35.1 -71.0 -25.7 7.5 27.9 -19.1 46 46 A K H << S+ 0 0 92 -4,-1.0 -44,-0.2 -3,-0.7 -2,-0.2 0.451 93.6 120.3-106.9 -0.6 4.8 25.6 -17.6 47 47 A A < - 0 0 0 -4,-1.0 -44,-0.2 1,-0.1 28,-0.2 -0.237 40.9-173.2 -64.5 147.4 4.6 27.4 -14.2 48 48 A D S S+ 0 0 53 -46,-3.5 30,-1.2 1,-0.4 2,-0.3 0.514 81.4 17.7-108.5 -19.3 1.4 29.0 -12.9 49 49 A F E -bc 3 78A 4 -47,-1.3 -45,-2.5 28,-0.2 2,-0.5 -0.974 66.4-153.7-155.6 137.7 3.1 30.5 -9.9 50 50 A I E -bc 4 79A 1 28,-2.7 30,-2.7 -2,-0.3 2,-0.8 -0.954 0.7-164.8-123.1 115.7 6.8 31.2 -9.1 51 51 A V E -bc 5 80A 0 -47,-3.1 -45,-2.3 -2,-0.5 2,-1.0 -0.851 15.9-156.7 -96.3 104.3 8.0 31.4 -5.5 52 52 A H E +bc 6 81A 19 28,-3.0 30,-0.5 -2,-0.8 -45,-0.1 -0.717 34.8 145.5 -93.6 102.9 11.4 33.1 -5.8 53 53 A L 0 0 36 -2,-1.0 -46,-0.2 -47,-0.7 -1,-0.2 0.550 360.0 360.0-110.3 -11.1 13.6 32.2 -2.8 54 54 A A 0 0 76 -44,-0.1 -47,-0.1 -41,-0.0 9,-0.1 -0.108 360.0 360.0 -52.1 360.0 17.1 32.0 -4.3 55 ! 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 56 66 A S 0 0 154 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 112.6 29.2 44.8 -14.4 57 67 A L - 0 0 158 3,-0.0 3,-0.1 0, 0.0 2,-0.1 -0.330 360.0 -60.8-111.1 49.9 30.3 43.5 -17.7 58 68 A G S S+ 0 0 60 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.119 88.7 136.4 108.7 -44.2 27.3 41.7 -19.0 59 69 A N - 0 0 132 1,-0.1 2,-0.4 -2,-0.1 -1,-0.3 -0.200 42.1-153.0 -40.4 118.7 26.8 39.1 -16.3 60 70 A V - 0 0 101 -3,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.844 19.4-107.8-100.5 142.3 23.0 39.1 -15.6 61 71 A S > - 0 0 59 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.147 24.9-112.9 -63.0 160.0 21.8 38.0 -12.1 62 72 A Y H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 118.9 55.5 -58.7 -43.8 20.0 34.7 -11.6 63 73 A L H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.1 46.0 -55.8 -47.1 16.8 36.7 -10.8 64 74 A D H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.795 109.9 55.4 -68.4 -29.8 16.9 38.6 -14.1 65 75 A H H X S+ 0 0 60 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.943 108.7 47.4 -65.5 -48.5 17.6 35.3 -16.0 66 76 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.864 112.0 50.6 -58.9 -39.4 14.5 33.8 -14.5 67 77 A L H X S+ 0 0 7 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.813 107.5 52.5 -70.1 -34.0 12.5 37.0 -15.4 68 78 A D H < S+ 0 0 91 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.840 110.3 48.4 -72.2 -31.8 13.6 36.9 -19.0 69 79 A I H >< S+ 0 0 2 -4,-1.6 3,-2.3 1,-0.2 -2,-0.2 0.942 108.3 53.4 -71.2 -47.6 12.5 33.3 -19.3 70 80 A L H >< S+ 0 0 4 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.724 90.2 78.9 -55.7 -25.8 9.1 34.0 -17.8 71 81 A T T 3< S+ 0 0 49 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.797 95.3 47.9 -51.8 -27.6 8.9 36.7 -20.4 72 82 A R T < S+ 0 0 121 -3,-2.3 2,-0.9 -4,-0.3 -1,-0.3 0.348 81.5 107.7-102.4 4.1 7.9 33.8 -22.7 73 83 A N X - 0 0 8 -3,-1.9 3,-1.5 1,-0.1 -27,-0.1 -0.773 57.4-157.3 -82.7 107.7 5.3 32.1 -20.4 74 84 A T T 3 S+ 0 0 134 -2,-0.9 -1,-0.1 1,-0.3 -29,-0.0 0.692 82.8 69.3 -56.0 -24.9 2.0 32.9 -22.2 75 85 A K T 3 S- 0 0 105 -30,-0.2 -1,-0.3 -28,-0.2 -3,-0.0 0.322 95.0-133.4 -87.5 6.1 0.0 32.5 -18.9 76 86 A K < - 0 0 126 -3,-1.5 24,-0.4 -6,-0.2 -2,-0.1 0.869 33.4-157.3 41.2 53.7 1.4 35.6 -17.2 77 87 A P - 0 0 5 0, 0.0 -28,-0.2 0, 0.0 2,-0.1 -0.158 16.6-102.0 -63.0 151.3 2.0 33.6 -13.9 78 88 A A E -c 49 0A 13 -30,-1.2 -28,-2.7 21,-0.1 2,-0.4 -0.450 31.3-150.5 -74.9 145.7 2.2 35.3 -10.5 79 89 A I E -cd 50 101A 6 21,-2.1 23,-1.7 -30,-0.2 2,-0.4 -0.978 9.9-170.7-123.4 127.8 5.6 35.9 -8.9 80 90 A L E +cd 51 102A 0 -30,-2.7 -28,-3.0 -2,-0.4 2,-0.3 -0.928 21.0 139.3-115.1 137.5 6.3 36.1 -5.1 81 91 A L E -cd 52 103A 13 21,-1.7 23,-3.0 -2,-0.4 2,-0.4 -0.979 43.6-109.3-162.3 170.7 9.7 37.2 -3.5 82 92 A S E - d 0 104A 35 -30,-0.5 23,-0.3 -2,-0.3 21,-0.1 -0.941 12.8-147.2-111.2 137.4 11.3 39.2 -0.6 83 93 A S 0 0 40 21,-3.7 22,-0.2 -2,-0.4 -1,-0.1 0.597 360.0 360.0 -73.5 -17.8 13.2 42.5 -1.1 84 94 A S 0 0 124 20,-0.2 -1,-0.3 22,-0.1 0, 0.0 -0.522 360.0 360.0 156.1 360.0 15.7 41.8 1.7 85 ! 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 86 110 A G > 0 0 78 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 66.2 16.0 46.6 -6.1 87 111 A E H >> + 0 0 17 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.908 360.0 64.3 -73.0 -49.4 12.2 47.0 -6.0 88 112 A Q H 3> S+ 0 0 130 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.769 99.7 58.1 -47.0 -32.4 11.5 49.7 -8.7 89 113 A L H 3> S+ 0 0 84 -3,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.871 106.3 47.2 -64.7 -42.3 12.9 47.2 -11.3 90 114 A L H - 0 0 1 -2,-0.3 3,-1.0 37,-0.2 100,-0.0 -0.859 69.9 -29.5 149.7-179.6 12.6 27.7 12.5 112 136 A K T 3 S+ 0 0 66 -2,-0.3 -97,-0.1 1,-0.2 3,-0.1 -0.180 115.5 24.8 -61.4 150.7 13.6 24.1 11.8 113 137 A W T 3 S+ 0 0 115 1,-0.3 -1,-0.2 101,-0.2 2,-0.2 0.475 79.1 137.2 77.5 2.9 16.2 23.3 9.1 114 138 A C < - 0 0 18 -3,-1.0 -1,-0.3 1,-0.1 6,-0.0 -0.585 64.2 -99.5 -74.4 146.3 18.0 26.6 9.1 115 139 A K > - 0 0 102 -2,-0.2 3,-0.8 3,-0.1 5,-0.3 -0.541 31.0-137.4 -77.7 126.4 21.8 26.1 8.9 116 140 A P T 3 S+ 0 0 29 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.585 85.3 17.0 -80.3 145.7 23.8 26.3 12.1 117 141 A N T 3 S+ 0 0 88 3,-0.3 2,-0.3 -2,-0.2 4,-0.1 0.630 97.8 103.4 66.7 15.1 27.1 28.1 12.1 118 142 A Y S < S- 0 0 143 -3,-0.8 -3,-0.1 2,-0.2 -1,-0.1 -0.667 106.7 -78.1-120.3 72.2 26.3 29.9 8.8 119 143 A N S S+ 0 0 167 -2,-0.3 2,-0.5 1,-0.1 3,-0.1 0.685 97.1 116.9 40.2 36.7 25.4 33.4 10.1 120 144 A S > - 0 0 21 -5,-0.3 4,-2.2 1,-0.1 -3,-0.3 -0.927 51.0-161.2-117.5 107.3 21.9 32.7 11.4 121 145 A V H > S+ 0 0 63 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.839 84.0 51.1 -62.9 -37.7 22.5 33.5 15.1 122 146 A I H > S+ 0 0 6 2,-0.2 4,-2.3 -13,-0.2 -1,-0.2 0.948 109.4 50.5 -63.4 -48.8 19.4 31.7 16.5 123 147 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.947 110.9 50.1 -51.0 -52.5 20.2 28.5 14.6 124 148 A T H X S+ 0 0 23 -4,-2.2 4,-2.3 -9,-0.3 5,-0.2 0.911 110.0 50.2 -53.5 -47.6 23.7 28.5 15.9 125 149 A F H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.928 110.7 47.4 -61.8 -48.5 22.6 29.0 19.5 126 150 A C H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.953 114.0 48.0 -54.0 -53.9 20.1 26.2 19.5 127 151 A Y H X S+ 0 0 68 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.879 116.7 42.2 -54.0 -45.9 22.6 23.8 18.0 128 152 A K H ><>S+ 0 0 52 -4,-2.3 5,-2.9 -5,-0.2 3,-0.6 0.886 113.1 50.7 -74.2 -39.3 25.4 24.7 20.4 129 153 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.826 107.2 54.3 -71.2 -30.0 23.3 24.8 23.6 130 154 A A H 3<5S+ 0 0 7 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.702 113.9 42.9 -76.3 -19.1 21.8 21.4 22.9 131 155 A R T <<5S- 0 0 69 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.138 116.0-111.1-112.2 14.5 25.3 20.0 22.6 132 156 A N T < 5 + 0 0 126 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.901 62.7 158.2 55.7 47.3 26.8 21.9 25.6 133 157 A E < - 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