==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-DEC-03 1RW9 . COMPND 2 MOLECULE: CHONDROITIN AC LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR V.V.LUNIN,Y.LI,R.J.LINHARDT,H.MIYAZONO,M.KYOGASHIMA,T.KANEKO . 754 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 . 51 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 0 0 1 0 1 1 1 1 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 7 4 2 5 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 2 0 1 0 1 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 4 A P 0 0 88 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.3 -29.3 52.0 90.7 2 5 A G >> - 0 0 32 196,-0.0 4,-2.4 4,-0.0 3,-0.5 -0.221 360.0 -42.4-121.2-153.5 -29.1 50.2 93.9 3 6 A A H 3> S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.827 128.7 47.6 -52.2 -41.6 -28.8 46.7 95.5 4 7 A A H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 112.4 49.1 -72.2 -39.2 -31.2 44.9 93.2 5 8 A E H <> S+ 0 0 96 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.908 113.2 47.8 -65.2 -45.2 -29.7 46.4 90.0 6 9 A F H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.892 111.6 50.8 -63.7 -41.2 -26.2 45.4 91.1 7 10 A A H X S+ 0 0 33 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.926 110.1 49.2 -64.1 -40.6 -27.4 41.9 92.1 8 11 A A H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 111.5 49.3 -67.1 -39.9 -28.9 41.5 88.7 9 12 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 111.5 48.9 -63.6 -45.1 -25.7 42.6 86.9 10 13 A R H X S+ 0 0 24 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.929 111.3 49.8 -60.6 -45.5 -23.6 40.3 89.0 11 14 A N H X S+ 0 0 85 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 110.2 51.3 -61.4 -37.7 -26.0 37.4 88.2 12 15 A R H X S+ 0 0 97 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.906 108.8 50.4 -65.3 -40.3 -25.8 38.3 84.5 13 16 A W H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.922 111.2 47.7 -63.8 -46.7 -22.0 38.3 84.6 14 17 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.933 111.4 52.3 -61.6 -41.4 -22.0 34.8 86.2 15 18 A D H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 6,-0.3 0.933 111.8 47.0 -55.6 -47.5 -24.5 33.6 83.6 16 19 A Q H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 116.7 40.0 -63.5 -47.1 -22.3 34.9 80.9 17 20 A I H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.719 126.1 34.0 -85.0 -14.6 -19.0 33.4 82.1 18 21 A T H < S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.692 85.6-140.3-102.7 -26.2 -20.4 30.1 83.3 19 22 A G >< + 0 0 2 -4,-2.1 3,-2.1 -5,-0.4 4,-0.4 0.661 50.7 148.4 67.3 21.6 -23.2 29.3 80.8 20 23 A R T 3 + 0 0 81 -6,-0.4 3,-0.3 1,-0.3 -5,-0.1 0.710 67.5 47.4 -62.0 -27.2 -25.1 28.0 83.9 21 24 A N T 3 S+ 0 0 103 -6,-0.3 -1,-0.3 1,-0.2 -6,-0.1 0.424 114.0 46.8 -91.2 -3.6 -28.5 29.0 82.5 22 25 A V < + 0 0 55 -3,-2.1 2,-0.4 -7,-0.2 -2,-0.2 0.198 69.3 129.1-130.7 12.6 -27.9 27.5 79.0 23 26 A I - 0 0 45 -4,-0.4 2,-0.7 -3,-0.3 -4,-0.0 -0.610 51.1-140.7 -72.4 128.6 -26.5 24.0 79.5 24 27 A Q > - 0 0 105 -2,-0.4 3,-1.9 3,-0.1 6,-0.2 -0.828 22.3-118.9 -97.0 119.9 -28.5 21.5 77.4 25 28 A A T 3 S+ 0 0 106 -2,-0.7 -1,-0.0 1,-0.3 5,-0.0 -0.240 92.5 6.5 -59.1 130.6 -29.0 18.2 79.4 26 29 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.453 88.6 143.5 75.0 5.9 -27.5 15.1 77.7 27 30 A D <> - 0 0 22 -3,-1.9 4,-2.0 1,-0.1 -1,-0.2 -0.622 46.7-145.8 -78.3 130.1 -25.9 17.2 75.0 28 31 A P H > S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.775 96.1 51.7 -70.1 -30.9 -22.5 15.6 74.2 29 32 A D H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 109.6 49.5 -74.2 -38.9 -20.7 18.9 73.5 30 33 A F H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 110.0 52.1 -59.6 -43.3 -21.8 20.4 76.8 31 34 A A H X S+ 0 0 55 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.915 109.8 48.5 -61.1 -39.1 -20.6 17.3 78.5 32 35 A K H X S+ 0 0 142 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.917 108.9 53.0 -66.1 -41.5 -17.2 17.7 76.9 33 36 A A H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.901 111.3 47.7 -60.4 -41.4 -17.1 21.4 77.9 34 37 A I H X S+ 0 0 10 -4,-2.3 4,-3.2 2,-0.2 55,-0.2 0.912 108.7 53.4 -68.0 -37.1 -17.7 20.3 81.5 35 38 A T H X S+ 0 0 73 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 109.3 48.6 -61.5 -42.0 -15.1 17.6 81.4 36 39 A A H X S+ 0 0 39 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.915 112.6 48.9 -66.8 -40.7 -12.5 20.1 80.2 37 40 A L H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.932 111.9 49.3 -60.3 -45.8 -13.6 22.4 83.0 38 41 A N H X S+ 0 0 36 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.898 109.1 51.4 -62.3 -41.9 -13.4 19.6 85.5 39 42 A N H X S+ 0 0 107 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.916 111.1 47.2 -66.2 -39.5 -9.9 18.5 84.3 40 43 A K H X S+ 0 0 87 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.913 112.8 49.1 -65.7 -44.7 -8.4 22.0 84.6 41 44 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.912 111.7 49.2 -60.4 -46.0 -10.0 22.5 88.1 42 45 A A H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 108.8 53.2 -61.9 -40.0 -8.6 19.1 89.2 43 46 A D H X S+ 0 0 67 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.946 110.9 46.4 -60.4 -47.4 -5.2 20.0 87.9 44 47 A S H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.938 110.6 51.8 -61.2 -45.5 -5.2 23.3 89.9 45 48 A L H >< S+ 0 0 49 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.892 105.0 57.1 -61.2 -35.0 -6.4 21.6 93.1 46 49 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.632 106.9 50.4 -66.6 -21.5 -3.6 19.0 92.8 47 50 A K T << S+ 0 0 60 -3,-1.3 12,-3.0 -4,-0.7 13,-0.4 0.327 80.4 130.1 -99.6 3.6 -1.1 21.9 92.8 48 51 A L B < -A 58 0A 43 -3,-1.4 2,-0.8 -4,-0.3 10,-0.3 -0.362 62.2-125.5 -61.2 133.0 -2.5 23.6 95.9 49 52 A D + 0 0 24 8,-3.0 5,-0.1 1,-0.1 -1,-0.1 -0.741 31.5 176.7 -79.4 116.0 0.1 24.5 98.5 50 53 A V + 0 0 102 -2,-0.8 -1,-0.1 2,-0.0 3,-0.1 0.433 34.2 127.5 -98.4 -7.1 -1.2 22.8 101.7 51 54 A K > - 0 0 58 1,-0.1 3,-1.1 2,-0.1 -2,-0.1 -0.185 68.4-104.7 -64.7 138.6 1.8 23.8 103.8 52 55 A K T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.399 106.4 10.9 -58.9 140.5 1.4 25.5 107.2 53 56 A G T 3 S- 0 0 84 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.840 94.6-164.5 56.9 41.2 2.4 29.3 106.8 54 57 A R < - 0 0 37 -3,-1.1 -1,-0.1 1,-0.1 3,-0.1 -0.156 25.7-162.3 -62.8 149.7 2.5 29.0 103.0 55 58 A T S S+ 0 0 96 1,-0.0 8,-0.4 55,-0.0 2,-0.3 0.286 78.7 39.1-112.8 -0.8 4.2 31.7 100.9 56 59 A S - 0 0 17 6,-0.1 6,-0.1 1,-0.1 3,-0.1 -0.955 66.7-142.7-136.2 163.6 2.5 30.6 97.7 57 60 A V S S+ 0 0 0 4,-0.4 -8,-3.0 -2,-0.3 2,-0.4 0.833 93.1 36.1 -89.1 -40.3 -0.9 29.4 96.8 58 61 A F B > S-AB 48 61A 0 3,-0.5 3,-1.6 -10,-0.3 -1,-0.3 -0.938 79.6-132.1-114.2 137.8 0.1 26.8 94.2 59 62 A T T 3 S+ 0 0 97 -12,-3.0 -11,-0.1 -2,-0.4 -1,-0.1 0.698 107.6 46.0 -63.3 -18.2 3.3 24.8 94.6 60 63 A D T 3 S+ 0 0 63 -13,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.305 101.8 74.6-111.6 13.4 4.4 25.6 91.0 61 64 A L B < -B 58 0A 14 -3,-1.6 -3,-0.5 10,-0.0 2,-0.5 -0.950 64.5-153.3-133.0 116.3 3.7 29.3 91.0 62 65 A S > - 0 0 46 -2,-0.4 3,-1.5 1,-0.1 6,-0.2 -0.703 9.7-150.7 -87.0 127.5 5.8 31.9 92.8 63 66 A L T 3 S+ 0 0 17 -2,-0.5 -1,-0.1 -8,-0.4 6,-0.1 0.578 95.9 68.2 -68.5 -8.7 4.1 35.1 93.9 64 67 A A T 3 S+ 0 0 92 1,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.474 88.4 71.1 -90.0 -1.2 7.4 36.8 93.4 65 68 A K S X> S- 0 0 125 -3,-1.5 4,-2.1 1,-0.1 3,-0.8 -0.954 79.3-146.5-115.8 117.5 7.2 36.3 89.6 66 69 A D H 3> S+ 0 0 36 -2,-0.6 4,-2.1 1,-0.3 -1,-0.1 0.833 96.8 51.5 -61.1 -33.6 4.5 38.6 88.2 67 70 A A H 3> S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.874 111.4 47.8 -69.6 -34.0 3.4 36.2 85.4 68 71 A E H <> S+ 0 0 57 -3,-0.8 4,-2.0 -6,-0.2 -2,-0.2 0.795 106.9 56.9 -76.9 -28.1 3.0 33.4 88.0 69 72 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.932 107.5 49.2 -62.1 -47.1 1.0 35.7 90.2 70 73 A V H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.954 110.6 49.3 -56.3 -51.3 -1.4 36.2 87.3 71 74 A T H X S+ 0 0 52 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.861 105.7 57.9 -61.9 -34.5 -1.7 32.5 86.8 72 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.962 111.8 42.2 -53.6 -50.4 -2.4 32.1 90.5 73 76 A Y H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 111.9 51.6 -67.1 -40.0 -5.3 34.4 90.1 74 77 A T H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.870 109.5 52.1 -70.8 -30.2 -6.6 32.9 86.8 75 78 A R H X S+ 0 0 15 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.915 110.1 49.1 -66.6 -37.8 -6.5 29.4 88.4 76 79 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.888 111.7 47.4 -68.2 -40.8 -8.5 30.7 91.3 77 80 A S H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.869 112.0 51.4 -69.3 -34.9 -11.1 32.4 88.9 78 81 A Q H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.899 110.2 48.5 -63.4 -44.0 -11.3 29.1 86.9 79 82 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.919 111.1 50.2 -63.9 -40.9 -11.9 27.2 90.1 80 83 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.889 109.0 53.1 -62.7 -36.2 -14.6 29.7 91.1 81 84 A T H < S+ 0 0 25 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.950 110.8 45.7 -62.2 -47.6 -16.1 29.2 87.6 82 85 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 6,-0.2 0.924 109.1 55.3 -61.6 -44.2 -16.2 25.5 88.1 83 86 A W H 3< S+ 0 0 32 -4,-2.9 9,-2.5 1,-0.3 -1,-0.2 0.796 111.8 45.3 -57.9 -28.1 -17.7 25.8 91.5 84 87 A A T 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.345 93.2 94.9 -95.7 -2.0 -20.5 27.9 90.0 85 88 A T S X S- 0 0 1 -3,-1.6 3,-2.2 -4,-0.3 6,-0.2 -0.853 78.0-122.0-101.2 113.1 -21.2 25.6 87.0 86 89 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.170 95.0 15.9 -52.7 140.0 -24.0 23.1 87.4 87 90 A T T 3 S+ 0 0 103 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.228 90.0 133.3 74.5 -6.7 -22.9 19.5 86.9 88 91 A A S X S- 0 0 6 -3,-2.2 3,-1.7 -6,-0.2 -1,-0.3 -0.414 71.0-114.1 -64.9 150.7 -19.2 20.3 87.2 89 92 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -55,-0.2 -2,-0.1 0.862 116.7 38.7 -53.8 -40.9 -17.4 18.0 89.5 90 93 A V T > S+ 0 0 17 -5,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.301 80.7 143.9 -95.8 12.0 -16.8 20.7 92.0 91 94 A F T < S- 0 0 105 -3,-1.7 -7,-0.2 1,-0.3 -8,-0.2 -0.287 83.9 -9.5 -55.2 122.8 -20.1 22.5 91.7 92 95 A G T 3 S+ 0 0 47 -9,-2.5 2,-0.6 1,-0.2 -1,-0.3 0.612 90.4 158.5 63.2 16.4 -21.1 23.8 95.1 93 96 A D <> - 0 0 68 -3,-2.4 4,-2.7 1,-0.2 -1,-0.2 -0.600 30.6-158.8 -79.1 113.4 -18.3 21.9 96.8 94 97 A A H > S+ 0 0 73 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.816 88.8 53.5 -65.6 -31.4 -17.7 23.6 100.1 95 98 A A H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 111.7 45.8 -67.9 -42.4 -14.1 22.2 100.5 96 99 A V H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.924 111.6 52.6 -64.0 -47.0 -13.2 23.5 97.1 97 100 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.929 108.1 51.0 -52.3 -50.2 -14.8 26.9 97.9 98 101 A A H X S+ 0 0 58 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.905 109.6 50.3 -57.0 -42.0 -12.8 27.2 101.1 99 102 A A H X S+ 0 0 24 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.887 110.3 49.6 -62.4 -42.0 -9.6 26.5 99.2 100 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 113.3 47.1 -61.4 -48.8 -10.5 29.2 96.6 101 104 A K H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 111.8 48.9 -61.4 -43.3 -11.2 31.7 99.4 102 105 A A H X S+ 0 0 43 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.894 110.7 52.6 -68.1 -31.5 -8.1 30.9 101.3 103 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.917 111.0 45.5 -65.8 -46.7 -6.1 31.3 98.0 104 107 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.920 114.8 49.2 -63.8 -41.5 -7.6 34.7 97.3 105 108 A A H X S+ 0 0 28 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.948 115.4 41.8 -63.5 -48.2 -7.0 35.8 101.0 106 109 A D H X S+ 0 0 51 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.868 111.6 53.6 -72.3 -40.4 -3.3 34.6 101.0 107 110 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.3 4,-1.4 0.903 111.7 48.5 -61.5 -33.9 -2.5 35.9 97.6 108 111 A N H <5S+ 0 0 23 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.964 116.0 42.0 -64.4 -53.6 -3.8 39.3 98.9 109 112 A T H <5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.884 121.1 41.0 -56.0 -50.2 -1.8 39.1 102.2 110 113 A L H <5S- 0 0 76 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.694 137.2 -21.5 -75.2 -27.5 1.4 37.9 100.6 111 114 A C T <5S+ 0 0 7 -4,-1.4 2,-1.6 -5,-0.3 -3,-0.2 0.415 112.6 64.8-150.7 -69.4 1.5 39.9 97.4 112 115 A Y S S- 0 0 11 -2,-1.6 3,-1.4 42,-0.1 39,-0.1 -0.843 77.4 -90.7-142.2 173.3 -2.6 44.3 98.1 114 117 A D T 3 S+ 0 0 78 -2,-0.3 -2,-0.1 1,-0.2 38,-0.0 0.417 120.1 53.8 -74.0 2.9 -3.0 48.0 98.4 115 118 A R T 3 S+ 0 0 195 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.354 86.2 105.9-109.7 1.7 0.5 48.5 100.0 116 119 A K < - 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