==== 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 1RWF . COMPND 2 MOLECULE: CHONDROITIN AC LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR V.V.LUNIN,Y.LI,H.MIYAZONO,M.KYOGASHIMA,A.W.BELL,M.CYGLER . 754 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 23.7 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 . 10 1.3 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 . 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 . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 1 1 0 0 1 1 0 1 1 1 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 7 4 2 6 5 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 2 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 0 115 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.8 -28.8 53.1 92.2 2 5 A G > - 0 0 26 1,-0.0 4,-2.5 4,-0.0 5,-0.2 -0.114 360.0-100.4-102.7-179.0 -29.8 50.4 94.8 3 6 A A H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 119.4 48.8 -59.7 -41.3 -29.3 47.1 96.6 4 7 A A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 111.3 49.6 -65.4 -41.9 -31.7 45.2 94.4 5 8 A E H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.9 48.5 -65.9 -42.3 -30.2 46.6 91.1 6 9 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.902 110.7 50.7 -64.9 -39.5 -26.7 45.6 92.3 7 10 A A H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.6 49.5 -63.4 -41.7 -27.8 42.1 93.2 8 11 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 49.4 -64.9 -39.7 -29.4 41.7 89.8 9 12 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 112.1 48.2 -65.8 -41.1 -26.2 42.9 88.0 10 13 A R H X S+ 0 0 25 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 111.2 50.3 -65.2 -42.2 -24.0 40.5 90.1 11 14 A N H X S+ 0 0 86 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.884 110.2 50.9 -64.2 -37.1 -26.4 37.6 89.3 12 15 A R H X S+ 0 0 96 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 109.3 50.0 -65.0 -39.3 -26.3 38.5 85.6 13 16 A W H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.943 111.1 48.7 -67.1 -43.1 -22.5 38.5 85.6 14 17 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.941 111.3 51.3 -61.8 -41.0 -22.4 35.1 87.3 15 18 A D H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 6,-0.3 0.933 112.2 47.3 -57.7 -44.2 -25.0 33.8 84.7 16 19 A Q H < S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 116.6 40.2 -68.1 -41.6 -22.7 35.1 81.9 17 20 A I H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.730 125.9 34.1 -88.6 -13.7 -19.4 33.6 83.2 18 21 A T H < S- 0 0 2 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.714 85.0-140.1-102.1 -29.6 -20.8 30.2 84.4 19 22 A G >< + 0 0 2 -4,-2.2 3,-2.0 -5,-0.4 4,-0.4 0.688 51.2 148.1 73.3 16.7 -23.6 29.4 81.9 20 23 A R T 3 + 0 0 79 -6,-0.4 3,-0.3 1,-0.3 -5,-0.1 0.726 67.4 48.3 -61.3 -26.8 -25.5 28.1 85.0 21 24 A N T 3 S+ 0 0 104 -6,-0.3 -1,-0.3 1,-0.2 -6,-0.1 0.414 114.4 46.3 -89.8 -5.2 -28.9 29.2 83.5 22 25 A V < + 0 0 56 -3,-2.0 2,-0.3 -7,-0.2 -2,-0.2 0.207 68.4 129.3-128.0 13.1 -28.3 27.5 80.1 23 26 A I - 0 0 48 -4,-0.4 2,-0.6 -3,-0.3 -4,-0.0 -0.605 50.8-140.5 -69.3 126.2 -26.8 24.0 80.6 24 27 A Q > - 0 0 104 -2,-0.3 3,-1.9 3,-0.1 6,-0.2 -0.845 21.5-117.6 -95.6 121.7 -28.9 21.5 78.5 25 28 A A T 3 S+ 0 0 106 -2,-0.6 -1,-0.0 1,-0.3 5,-0.0 -0.275 93.2 5.8 -57.8 131.2 -29.5 18.2 80.3 26 29 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.515 88.7 144.0 70.3 9.1 -27.9 15.2 78.6 27 30 A D <> - 0 0 23 -3,-1.9 4,-2.0 1,-0.1 -1,-0.2 -0.669 44.8-148.5 -81.1 125.7 -26.2 17.3 76.0 28 31 A P H > S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.784 94.7 52.8 -69.0 -30.7 -22.8 15.7 75.2 29 32 A D H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.896 109.9 49.0 -73.2 -38.7 -21.0 19.0 74.4 30 33 A F H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 109.9 51.8 -60.5 -42.6 -22.1 20.5 77.8 31 34 A A H X S+ 0 0 56 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.908 109.6 49.3 -60.9 -39.1 -20.9 17.4 79.5 32 35 A K H X S+ 0 0 141 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 109.3 52.5 -65.2 -38.6 -17.5 17.8 77.8 33 36 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.921 111.4 46.8 -65.3 -39.1 -17.3 21.4 78.9 34 37 A I H X S+ 0 0 10 -4,-2.4 4,-3.2 1,-0.2 55,-0.2 0.902 109.3 53.9 -68.9 -38.2 -18.0 20.4 82.5 35 38 A T H X S+ 0 0 72 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.907 109.1 47.9 -59.0 -41.1 -15.5 17.7 82.4 36 39 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 112.9 49.5 -67.5 -42.6 -12.8 20.2 81.2 37 40 A L H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 112.2 48.6 -57.5 -45.8 -14.0 22.6 84.0 38 41 A N H X S+ 0 0 37 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.907 109.6 51.3 -63.2 -42.9 -13.7 19.7 86.5 39 42 A N H X S+ 0 0 105 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.905 110.9 47.4 -66.9 -37.0 -10.2 18.6 85.4 40 43 A K H X S+ 0 0 89 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.930 112.8 49.2 -67.7 -42.3 -8.8 22.2 85.7 41 44 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.5 48.8 -61.6 -43.8 -10.3 22.6 89.1 42 45 A A H X S+ 0 0 57 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.900 108.5 54.8 -62.8 -39.6 -8.9 19.3 90.3 43 46 A D H X S+ 0 0 69 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.941 110.6 45.4 -58.4 -46.9 -5.5 20.2 88.9 44 47 A S H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.923 110.9 51.3 -61.8 -43.4 -5.5 23.4 91.0 45 48 A L H >< S+ 0 0 46 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.899 104.5 58.6 -65.9 -35.0 -6.7 21.7 94.2 46 49 A A H 3< S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.689 106.5 49.9 -63.5 -19.1 -3.9 19.1 93.9 47 50 A K T << S+ 0 0 58 -3,-1.3 12,-3.0 -4,-0.6 13,-0.3 0.334 80.0 131.1-103.6 3.3 -1.4 22.0 93.9 48 51 A L B < -A 58 0A 42 -3,-1.6 2,-0.8 -4,-0.3 10,-0.3 -0.333 61.5-125.3 -58.0 136.2 -2.7 23.8 97.1 49 52 A D + 0 0 26 8,-2.8 5,-0.1 1,-0.1 -1,-0.1 -0.774 31.4 177.3 -79.7 113.5 -0.1 24.7 99.6 50 53 A A + 0 0 101 -2,-0.8 -1,-0.1 2,-0.1 3,-0.1 0.434 34.2 127.0 -96.7 -4.9 -1.4 23.0 102.9 51 54 A A > - 0 0 59 1,-0.1 3,-1.2 2,-0.1 2,-0.1 -0.156 68.8-103.2 -64.0 145.7 1.6 24.0 105.1 52 55 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.0 -2,-0.1 -0.466 107.4 8.4 -62.9 137.0 1.2 25.8 108.4 53 56 A G T 3 S- 0 0 83 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.857 94.5-164.8 57.5 39.4 2.1 29.5 108.0 54 57 A R < - 0 0 38 -3,-1.2 -1,-0.1 1,-0.1 3,-0.0 -0.174 24.2-160.0 -58.7 148.7 2.3 29.1 104.2 55 58 A T S S+ 0 0 96 55,-0.0 8,-0.4 2,-0.0 2,-0.3 0.250 78.4 38.9-110.5 0.3 4.0 31.9 102.1 56 59 A S - 0 0 17 6,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.938 67.0-141.7-137.8 164.4 2.3 30.8 98.8 57 60 A V S S+ 0 0 0 4,-0.4 -8,-2.8 -2,-0.3 2,-0.4 0.818 93.2 35.5 -93.9 -36.7 -1.2 29.6 97.9 58 61 A F B > S-A 48 0A 0 3,-0.5 3,-1.6 -10,-0.3 -1,-0.3 -0.928 79.3-132.6-116.4 138.2 -0.1 27.0 95.3 59 62 A T T 3 S+ 0 0 96 -12,-3.0 -11,-0.1 -2,-0.4 -1,-0.1 0.716 107.0 47.3 -64.8 -18.5 3.1 25.0 95.7 60 63 A D T 3 S+ 0 0 64 -13,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.281 101.9 73.2-106.2 10.8 4.1 25.7 92.1 61 64 A L < - 0 0 14 -3,-1.6 2,-0.5 10,-0.0 -3,-0.5 -0.954 65.2-152.0-132.1 115.6 3.4 29.5 92.1 62 65 A S > - 0 0 47 -2,-0.5 3,-1.6 1,-0.1 6,-0.3 -0.720 10.1-150.3 -85.1 129.1 5.6 32.1 93.8 63 66 A L T 3 S+ 0 0 17 -2,-0.5 -1,-0.1 -8,-0.4 6,-0.1 0.607 96.2 68.0 -67.3 -11.2 3.8 35.3 95.0 64 67 A A T 3 S+ 0 0 91 1,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.461 88.6 71.6 -86.2 -3.5 7.2 37.1 94.4 65 68 A K S X> S- 0 0 126 -3,-1.6 4,-2.1 1,-0.1 3,-0.8 -0.967 79.0-145.9-113.2 118.5 6.9 36.6 90.6 66 69 A D H 3> S+ 0 0 35 -2,-0.6 4,-1.9 1,-0.3 -1,-0.1 0.822 96.4 50.7 -60.0 -35.8 4.2 38.8 89.2 67 70 A A H 3> S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.858 111.9 48.8 -68.6 -31.6 3.1 36.4 86.4 68 71 A E H <> S+ 0 0 57 -3,-0.8 4,-2.0 -6,-0.3 -2,-0.2 0.795 106.4 56.3 -78.4 -26.9 2.7 33.6 89.0 69 72 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.929 107.9 49.3 -64.2 -44.9 0.7 36.0 91.3 70 73 A V H X S+ 0 0 17 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.947 110.8 48.8 -59.5 -48.9 -1.7 36.5 88.3 71 74 A T H X S+ 0 0 52 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.860 106.0 58.2 -63.7 -32.4 -2.0 32.7 87.8 72 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.955 112.0 41.2 -54.5 -49.2 -2.7 32.3 91.6 73 76 A Y H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.878 113.0 51.8 -72.3 -38.9 -5.7 34.6 91.2 74 77 A T H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.877 110.0 50.9 -67.3 -30.9 -6.9 33.1 87.9 75 78 A R H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.6 49.1 -66.5 -40.5 -6.8 29.6 89.4 76 79 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.913 111.8 48.0 -67.2 -40.7 -8.8 30.9 92.4 77 80 A S H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.864 110.9 51.2 -67.6 -35.0 -11.4 32.5 90.1 78 81 A Q H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.889 109.7 50.5 -64.7 -41.8 -11.7 29.3 88.0 79 82 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.904 110.7 48.3 -62.0 -40.7 -12.3 27.4 91.2 80 83 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.873 109.7 53.6 -65.8 -35.2 -15.0 29.8 92.2 81 84 A T H < S+ 0 0 25 -4,-2.1 3,-0.4 2,-0.2 4,-0.3 0.939 111.2 45.3 -60.1 -49.9 -16.5 29.4 88.7 82 85 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 6,-0.2 0.929 109.4 55.2 -60.3 -45.4 -16.6 25.6 89.2 83 86 A W H 3< S+ 0 0 34 -4,-2.7 9,-2.4 1,-0.3 -1,-0.2 0.797 112.3 44.9 -58.4 -27.3 -18.1 26.0 92.7 84 87 A A T 3< S+ 0 0 10 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.352 93.2 95.3 -97.3 1.3 -20.9 28.1 91.2 85 88 A T S X S- 0 0 1 -3,-1.7 3,-2.1 -4,-0.3 6,-0.2 -0.859 78.1-122.1-102.9 112.8 -21.6 25.8 88.1 86 89 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.169 94.7 15.7 -52.6 138.8 -24.4 23.3 88.5 87 90 A T T 3 S+ 0 0 104 1,-0.3 2,-0.0 2,-0.1 -2,-0.0 0.201 89.8 132.2 76.1 -8.0 -23.3 19.6 88.0 88 91 A A S X S- 0 0 7 -3,-2.1 3,-1.6 -6,-0.2 -1,-0.3 -0.406 71.5-114.1 -65.7 153.9 -19.6 20.4 88.3 89 92 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -55,-0.2 -2,-0.1 0.868 116.5 39.1 -57.9 -38.7 -17.8 18.1 90.7 90 93 A V T > S+ 0 0 17 -5,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.318 80.7 143.3 -97.9 13.6 -17.1 20.9 93.2 91 94 A F T < S- 0 0 106 -3,-1.6 -7,-0.2 1,-0.3 -8,-0.2 -0.288 84.2 -9.3 -56.0 124.1 -20.5 22.7 92.8 92 95 A G T 3 S+ 0 0 48 -9,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.582 90.8 158.7 63.4 15.7 -21.5 23.9 96.3 93 96 A D <> - 0 0 68 -3,-2.3 4,-2.7 1,-0.2 -1,-0.2 -0.583 30.8-158.2 -78.9 113.5 -18.7 22.0 98.0 94 97 A A H > S+ 0 0 76 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.808 89.6 52.6 -63.9 -31.9 -18.1 23.7 101.3 95 98 A A H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 111.6 45.8 -70.7 -40.3 -14.4 22.4 101.7 96 99 A V H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 111.9 53.2 -65.9 -44.0 -13.5 23.7 98.3 97 100 A L H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.927 107.7 50.5 -53.0 -50.4 -15.2 27.0 99.1 98 101 A A H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 109.2 51.2 -59.8 -37.7 -13.2 27.3 102.3 99 102 A A H X S+ 0 0 27 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.878 109.9 49.7 -65.9 -39.0 -9.9 26.6 100.4 100 103 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.945 112.3 48.1 -62.4 -48.5 -10.8 29.4 97.8 101 104 A K H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 112.0 48.3 -60.3 -41.3 -11.6 31.9 100.6 102 105 A A H X S+ 0 0 41 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.857 110.3 52.8 -68.7 -34.5 -8.4 31.1 102.4 103 106 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.919 111.4 45.5 -64.0 -44.9 -6.4 31.4 99.1 104 107 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.913 114.8 49.6 -65.3 -40.1 -7.9 34.9 98.5 105 108 A A H X S+ 0 0 28 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.944 115.5 40.8 -64.4 -47.6 -7.2 35.9 102.2 106 109 A D H X S+ 0 0 52 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.877 111.4 54.8 -73.8 -35.3 -3.6 34.8 102.2 107 110 A A H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.3 4,-1.5 0.922 112.2 47.0 -63.5 -34.2 -2.8 36.1 98.7 108 111 A N H <5S+ 0 0 24 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.955 116.6 42.5 -65.9 -53.4 -4.1 39.5 100.1 109 112 A T H <5S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 121.4 40.4 -56.1 -46.2 -2.1 39.3 103.4 110 113 A L H <5S- 0 0 76 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.741 137.2 -21.2 -79.7 -26.3 1.1 38.1 101.7 111 114 A C T <5S+ 0 0 8 -4,-1.5 2,-1.5 -5,-0.3 -3,-0.2 0.480 112.9 63.0-151.0 -68.9 1.2 40.1 98.6 112 115 A Y S S- 0 0 11 -2,-1.5 3,-1.4 42,-0.1 39,-0.1 -0.824 77.2 -90.7-143.3 173.4 -2.9 44.5 99.3 114 117 A D T 3 S+ 0 0 79 1,-0.3 -2,-0.1 -2,-0.2 38,-0.0 0.434 120.0 54.6 -74.9 2.8 -3.3 48.3 99.6 115 118 A R T 3 S+ 0 0 193 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.373 85.6 107.8-107.6 0.6 0.2 48.8 101.1 116 119 A K < - 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