==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-FEB-10 2X75 . COMPND 2 MOLECULE: ADENYLOSUCCINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.K.FYFE,A.DAWSON,M.T.HUTCHISON,S.CAMERON,W.N.HUNTER . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 1 2 1 2 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 2 A I 0 0 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.3 1.2 -5.2 20.7 2 3 A E > + 0 0 181 1,-0.1 3,-0.7 2,-0.1 8,-0.1 0.701 360.0 55.6 -84.9 -24.5 2.3 -6.1 24.3 3 4 A R T 3 S+ 0 0 192 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.691 112.4 43.2 -69.8 -24.5 1.7 -9.8 23.2 4 5 A Y T 3 S+ 0 0 74 2,-0.1 2,-0.4 275,-0.0 317,-0.3 -0.078 95.7 97.9-116.0 32.8 4.1 -9.2 20.3 5 6 A S < - 0 0 32 -3,-0.7 2,-0.2 316,-0.1 313,-0.1 -0.982 57.4-149.6-126.7 126.5 6.9 -7.3 22.1 6 7 A R > - 0 0 82 -2,-0.4 4,-1.9 311,-0.3 5,-0.1 -0.552 32.2-113.1 -81.9 160.7 10.2 -8.6 23.6 7 8 A E H > S+ 0 0 151 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.911 106.9 52.2 -69.3 -46.0 11.4 -6.7 26.6 8 9 A E H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.909 115.7 40.5 -62.0 -44.4 14.6 -5.0 25.3 9 10 A M H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.893 112.4 56.9 -68.5 -39.2 12.9 -3.4 22.3 10 11 A S H >< S+ 0 0 43 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.899 104.3 52.3 -59.4 -42.9 9.8 -2.5 24.3 11 12 A N H >< S+ 0 0 82 -4,-2.4 3,-1.4 1,-0.2 6,-0.4 0.820 100.0 63.5 -63.0 -32.3 11.8 -0.5 26.8 12 13 A I H 3< S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.816 103.2 48.5 -62.8 -28.9 13.5 1.5 24.1 13 14 A W T << S+ 0 0 45 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.139 87.0 113.4-104.2 19.7 10.2 3.0 23.0 14 15 A T S <> S- 0 0 50 -3,-1.4 4,-1.3 1,-0.1 5,-0.1 -0.356 76.9-117.4 -82.3 167.3 8.9 4.0 26.4 15 16 A D H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.860 114.3 61.4 -73.9 -36.7 8.5 7.6 27.5 16 17 A Q H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 108.9 42.4 -47.0 -55.0 11.1 7.2 30.1 17 18 A N H > S+ 0 0 30 -6,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.756 112.0 53.0 -72.4 -28.7 13.7 6.4 27.4 18 19 A R H X S+ 0 0 56 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.900 113.2 43.8 -70.2 -42.9 12.5 9.1 25.0 19 20 A Y H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.876 111.0 53.9 -69.0 -39.4 12.8 11.8 27.7 20 21 A E H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.903 108.9 50.5 -60.3 -38.1 16.2 10.4 28.9 21 22 A A H X S+ 0 0 4 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.778 109.2 50.4 -69.0 -29.2 17.3 10.7 25.2 22 23 A W H X S+ 0 0 4 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.911 109.6 52.2 -71.2 -41.5 16.1 14.3 25.2 23 24 A L H X S+ 0 0 22 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.931 109.1 47.9 -57.9 -49.0 18.0 14.9 28.4 24 25 A E H X S+ 0 0 68 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.935 112.5 48.9 -62.2 -48.8 21.2 13.5 26.9 25 26 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.927 114.7 46.4 -50.3 -51.7 20.8 15.6 23.8 26 27 A E H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.939 114.6 45.3 -57.7 -52.9 20.2 18.7 25.9 27 28 A I H X S+ 0 0 5 -4,-3.2 4,-2.1 1,-0.2 3,-0.3 0.955 114.4 48.1 -58.7 -53.7 23.1 18.1 28.3 28 29 A L H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.814 107.4 58.3 -53.7 -36.2 25.5 17.3 25.4 29 30 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.922 107.0 46.9 -59.5 -44.6 24.1 20.5 23.7 30 31 A C H X S+ 0 0 1 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.855 108.6 54.4 -67.3 -35.9 25.3 22.5 26.8 31 32 A E H X S+ 0 0 41 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.836 110.4 48.7 -62.9 -34.2 28.7 20.7 26.7 32 33 A A H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.960 111.6 46.0 -70.5 -54.5 29.0 21.8 23.1 33 34 A W H <>S+ 0 0 9 -4,-2.5 5,-2.3 1,-0.2 6,-0.4 0.850 110.3 57.7 -53.6 -37.7 28.1 25.5 23.8 34 35 A S H ><5S+ 0 0 23 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.898 102.0 50.8 -64.4 -45.0 30.5 25.4 26.7 35 36 A E H 3<5S+ 0 0 145 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.7 54.6 -59.7 -31.7 33.5 24.4 24.6 36 37 A L T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.215 121.3-112.1 -84.7 11.5 32.4 27.4 22.5 37 38 A G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.761 88.8 110.3 64.8 29.0 32.5 29.7 25.5 38 39 A H S > - 0 0 68 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.467 23.2-134.2 -65.1 136.0 30.4 27.8 32.1 41 42 A K H 3> S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.832 103.3 62.3 -60.8 -36.9 31.4 24.1 32.3 42 43 A A H 3> S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 101.6 51.6 -54.3 -44.4 30.6 24.0 36.1 43 44 A D H <> S+ 0 0 23 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.833 112.6 45.8 -63.0 -34.6 27.0 24.8 35.3 44 45 A V H X S+ 0 0 6 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.819 109.5 53.1 -78.2 -34.3 26.9 21.9 32.8 45 46 A Q H X S+ 0 0 124 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.868 111.0 49.5 -67.5 -37.2 28.6 19.5 35.2 46 47 A K H X S+ 0 0 83 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.926 108.8 52.9 -57.0 -51.6 25.9 20.6 37.7 47 48 A I H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 107.6 49.5 -56.3 -49.2 23.2 19.9 35.0 48 49 A R H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.4 43.2 -58.8 -38.0 24.5 16.3 34.3 49 50 A Q H < S+ 0 0 166 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 122.5 33.9 -77.5 -39.2 24.5 15.5 38.0 50 51 A N H < S+ 0 0 57 -4,-2.6 2,-0.4 -5,-0.1 -2,-0.2 0.698 88.3 105.0 -95.1 -21.2 21.2 17.1 39.1 51 52 A A < + 0 0 13 -4,-2.4 2,-0.4 -5,-0.3 25,-0.1 -0.484 43.3 174.3 -70.3 119.7 18.9 16.6 36.1 52 53 A K - 0 0 129 -2,-0.4 2,-0.2 24,-0.3 27,-0.1 -0.988 25.5-131.6-125.4 135.3 16.3 13.8 36.5 53 54 A V - 0 0 23 -2,-0.4 2,-0.3 26,-0.0 -37,-0.0 -0.559 18.3-173.2 -78.9 147.3 13.5 12.9 34.2 54 55 A N > - 0 0 73 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.854 7.6-168.4-141.4 103.6 10.0 12.4 35.6 55 56 A V H > S+ 0 0 25 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.891 88.3 49.5 -63.1 -41.3 7.5 11.1 33.0 56 57 A E H > S+ 0 0 141 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 112.4 47.6 -65.4 -40.8 4.4 11.8 35.2 57 58 A R H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.931 110.2 51.0 -67.5 -47.5 5.5 15.4 35.9 58 59 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.904 111.0 49.6 -55.4 -43.8 6.3 16.3 32.3 59 60 A Q H X S+ 0 0 80 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.762 107.7 53.9 -70.5 -26.7 2.8 14.9 31.2 60 61 A E H >< S+ 0 0 112 -4,-1.3 3,-0.9 -3,-0.3 4,-0.5 0.951 112.1 44.5 -65.8 -50.0 1.1 17.0 33.9 61 62 A I H >X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 3,-0.9 0.802 106.0 63.8 -62.2 -31.8 2.8 20.1 32.6 62 63 A E H 3X S+ 0 0 58 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.750 89.5 65.4 -68.5 -24.8 2.0 19.1 29.0 63 64 A Q H << S+ 0 0 110 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.758 116.4 28.1 -72.9 -20.5 -1.8 19.3 29.5 64 65 A E H <4 S+ 0 0 170 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.822 121.9 48.8-101.0 -48.1 -1.4 23.1 30.0 65 66 A T H < S- 0 0 52 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.776 86.7-154.9 -61.2 -27.2 1.7 23.9 27.9 66 67 A R < + 0 0 199 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 0.632 65.5 93.9 59.5 18.4 0.1 21.9 25.0 67 68 A H > - 0 0 71 -6,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.997 66.4-151.0-142.9 129.0 3.7 21.3 23.8 68 69 A D H > S+ 0 0 26 -2,-0.4 4,-1.7 2,-0.2 -1,-0.1 0.787 93.1 47.1 -81.2 -28.9 5.8 18.3 24.7 69 70 A V H > S+ 0 0 3 2,-0.2 4,-3.3 3,-0.1 5,-0.2 0.905 112.6 50.5 -76.1 -41.9 9.4 19.7 24.5 70 71 A V H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 110.3 51.0 -58.0 -49.4 8.4 22.8 26.6 71 72 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.926 112.5 45.8 -51.2 -51.6 6.8 20.4 29.1 72 73 A F H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.4 0.969 111.4 52.0 -57.5 -55.7 10.0 18.4 29.3 73 74 A T H X S+ 0 0 11 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.859 112.9 45.8 -48.5 -43.3 12.2 21.5 29.5 74 75 A R H X S+ 0 0 130 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.927 111.7 52.0 -68.1 -44.7 10.1 22.7 32.4 75 76 A Q H >X S+ 0 0 4 -4,-2.8 3,-1.6 2,-0.2 4,-0.6 0.978 111.6 43.3 -56.4 -63.4 10.1 19.3 34.2 76 77 A V H >X S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.3 4,-0.5 0.898 109.1 61.5 -47.9 -42.3 13.9 18.8 34.2 77 78 A S H >< S+ 0 0 10 -4,-1.4 3,-0.7 -5,-0.4 -1,-0.3 0.780 96.1 58.8 -59.5 -29.4 14.2 22.5 35.2 78 79 A E H << S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-1.2 -2,-0.2 0.633 103.7 52.6 -73.2 -16.8 12.3 21.8 38.4 79 80 A T H << S+ 0 0 42 -3,-2.1 -1,-0.2 -4,-0.6 2,-0.2 0.509 106.4 67.2 -93.2 -7.2 15.0 19.2 39.3 80 81 A L << - 0 0 11 -3,-0.7 -33,-0.1 -4,-0.5 -34,-0.0 -0.651 69.1-143.0-108.3 164.5 17.8 21.8 38.8 81 82 A G S > S- 0 0 32 -2,-0.2 3,-1.6 -35,-0.0 -1,-0.2 0.335 72.7 -29.9 -91.8-130.0 18.9 25.0 40.6 82 83 A E G > S+ 0 0 121 1,-0.3 3,-1.8 2,-0.1 4,-0.1 0.761 124.3 76.9 -62.8 -30.6 20.2 28.1 38.8 83 84 A E G > + 0 0 0 1,-0.3 3,-1.2 2,-0.1 4,-0.4 0.511 68.9 93.5 -64.1 -8.1 21.7 26.0 36.0 84 85 A R G X + 0 0 120 -3,-1.6 3,-2.0 1,-0.2 -1,-0.3 0.861 69.8 71.9 -36.0 -49.6 18.1 25.8 34.7 85 86 A K G < S+ 0 0 114 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.760 95.0 49.7 -49.5 -33.3 18.9 28.9 32.6 86 87 A W G X S+ 0 0 47 -3,-1.2 3,-1.8 -4,-0.1 2,-0.4 0.540 77.8 117.2 -89.7 -8.4 21.1 26.9 30.2 87 88 A V T < S+ 0 0 17 -3,-2.0 -60,-0.1 -4,-0.4 -61,-0.0 -0.481 93.5 1.7 -62.9 116.5 18.7 24.0 29.5 88 89 A H T > S- 0 0 40 -2,-0.4 3,-1.6 1,-0.2 -1,-0.3 0.754 90.5-172.9 79.4 27.9 17.9 24.1 25.8 89 90 A Y T < - 0 0 73 -3,-1.8 -1,-0.2 1,-0.3 3,-0.1 -0.360 67.4 -15.9 -64.8 118.0 20.2 27.1 25.2 90 91 A G T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.2 2,-0.3 0.765 110.3 123.9 60.1 30.4 19.9 28.5 21.6 91 92 A L < - 0 0 15 -3,-1.6 2,-0.4 90,-0.1 -1,-0.2 -0.790 54.0-136.0-117.4 159.6 18.1 25.3 20.4 92 93 A T >> - 0 0 39 -2,-0.3 3,-2.9 -3,-0.1 4,-0.8 -0.915 32.6-105.9-116.8 147.7 14.8 24.6 18.8 93 94 A S H >> S+ 0 0 33 -2,-0.4 4,-2.1 1,-0.3 3,-1.7 0.819 117.6 47.9 -32.7 -59.0 12.4 21.8 19.8 94 95 A T H 3> S+ 0 0 10 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.570 94.8 71.4 -74.7 -9.4 13.1 19.6 16.8 95 96 A D H <4 S+ 0 0 0 -3,-2.9 4,-0.5 3,-0.1 83,-0.3 0.828 114.7 30.2 -65.5 -32.3 17.0 19.9 17.1 96 97 A V H S+ 0 0 0 -4,-0.5 4,-1.1 79,-0.3 -1,-0.2 0.840 116.1 47.7 -71.6 -35.5 18.5 14.0 17.0 100 101 A A H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.807 107.9 54.2 -72.5 -35.6 17.2 12.0 20.0 101 102 A L H X S+ 0 0 33 -4,-1.5 4,-2.1 -5,-0.4 -2,-0.2 0.946 107.5 50.0 -66.5 -47.6 14.8 10.0 17.8 102 103 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.832 109.7 53.6 -56.0 -34.1 17.7 8.9 15.5 103 104 A F H X S+ 0 0 41 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.921 107.4 48.5 -67.0 -45.6 19.6 7.9 18.7 104 105 A V H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.849 109.9 53.2 -65.2 -33.2 16.8 5.7 19.9 105 106 A I H X S+ 0 0 0 -4,-2.1 4,-3.8 2,-0.2 5,-0.2 0.919 103.7 56.5 -66.0 -42.0 16.6 4.1 16.4 106 107 A K H X S+ 0 0 56 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.893 108.8 48.0 -54.1 -40.7 20.4 3.4 16.7 107 108 A Q H X S+ 0 0 55 -4,-1.7 4,-1.1 2,-0.2 3,-0.5 0.931 112.2 47.2 -67.1 -46.7 19.5 1.6 19.9 108 109 A A H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.6 0.916 109.6 54.7 -59.6 -44.7 16.6 -0.4 18.2 109 110 A N H 3X S+ 0 0 0 -4,-3.8 4,-1.9 1,-0.2 -1,-0.2 0.739 99.7 61.1 -62.9 -25.3 19.0 -1.2 15.2 110 111 A D H 3X S+ 0 0 68 -4,-1.1 4,-1.4 -3,-0.5 -1,-0.2 0.883 109.0 43.6 -64.3 -39.5 21.5 -2.7 17.7 111 112 A I H XX S+ 0 0 6 -4,-1.1 4,-2.5 -3,-0.6 3,-0.5 0.988 114.1 47.3 -68.1 -59.1 18.9 -5.2 18.7 112 113 A I H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.829 109.2 55.3 -56.1 -36.4 17.6 -6.0 15.2 113 114 A E H 3X S+ 0 0 38 -4,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.934 109.6 46.5 -63.0 -43.9 21.2 -6.4 13.9 114 115 A K H < S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.954 113.6 41.8 -57.7 -53.8 21.9 -25.9 6.2 128 129 A K H >< S+ 0 0 108 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.846 111.3 57.0 -64.4 -35.7 25.0 -27.9 7.2 129 130 A N H 3< S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.588 121.0 27.6 -73.9 -12.1 22.8 -30.3 9.3 130 131 A Y T X< S+ 0 0 42 -3,-1.0 3,-2.4 -4,-0.9 20,-2.0 0.066 78.9 133.8-132.3 25.4 20.7 -31.2 6.2 131 132 A K T < S+ 0 0 48 -3,-0.8 20,-0.3 1,-0.3 -2,-0.1 0.812 86.1 25.2 -44.9 -43.6 23.2 -30.6 3.5 132 133 A Y T 3 S+ 0 0 119 -4,-0.2 2,-1.3 18,-0.1 -1,-0.3 0.038 83.2 132.9-114.1 23.8 22.4 -33.9 1.7 133 134 A T < - 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