==== 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 1RWH . 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) . 27080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 69.9 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 . 180 23.9 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 . 185 24.5 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 . 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 . 4 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 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 91 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.6 -29.4 51.9 90.5 2 5 A G > - 0 0 32 196,-0.0 4,-2.4 4,-0.0 5,-0.2 -0.164 360.0 -47.0-119.2-153.4 -29.4 50.1 93.7 3 6 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 129.0 48.1 -52.4 -44.3 -29.0 46.7 95.4 4 7 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 112.2 49.2 -70.5 -40.6 -31.4 44.9 93.1 5 8 A E H > S+ 0 0 97 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 112.8 47.7 -65.3 -44.9 -29.9 46.3 89.9 6 9 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.898 111.4 51.0 -65.3 -38.6 -26.3 45.4 91.1 7 10 A A H X S+ 0 0 33 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.929 110.0 49.8 -64.1 -40.2 -27.5 41.9 92.0 8 11 A A H X S+ 0 0 62 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.4 49.2 -64.6 -41.0 -29.1 41.4 88.6 9 12 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 111.3 48.4 -64.1 -44.7 -25.9 42.6 86.9 10 13 A R H X S+ 0 0 25 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.933 112.2 50.0 -62.0 -44.6 -23.7 40.2 88.9 11 14 A N H X S+ 0 0 84 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.888 109.7 51.1 -60.3 -38.1 -26.1 37.4 88.1 12 15 A R H X S+ 0 0 96 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.898 109.2 50.5 -65.1 -41.3 -26.0 38.2 84.5 13 16 A W H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.933 111.0 48.4 -64.4 -44.4 -22.2 38.2 84.5 14 17 A V H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.944 110.9 51.3 -62.1 -39.8 -22.1 34.8 86.2 15 18 A D H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 6,-0.3 0.919 112.4 47.3 -58.8 -44.9 -24.6 33.5 83.6 16 19 A Q H < S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.6 40.6 -64.4 -44.8 -22.4 34.8 80.8 17 20 A I H < S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 126.4 32.2 -87.4 -14.8 -19.1 33.4 82.1 18 21 A T H < S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.702 85.9-140.2-104.3 -27.5 -20.4 30.0 83.3 19 22 A G >< + 0 0 2 -4,-2.2 3,-2.0 -5,-0.4 4,-0.4 0.676 50.2 148.9 67.6 22.5 -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 0.720 66.8 49.7 -61.4 -29.8 -25.2 27.9 83.9 21 24 A N T 3 S+ 0 0 105 -6,-0.3 -1,-0.3 1,-0.2 -6,-0.1 0.424 113.7 45.0 -87.4 -3.5 -28.6 29.0 82.4 22 25 A V < + 0 0 55 -3,-2.0 2,-0.3 -7,-0.2 -2,-0.2 0.178 68.4 131.7-134.0 19.0 -28.0 27.4 78.9 23 26 A I - 0 0 48 -4,-0.4 2,-0.7 -3,-0.3 -4,-0.0 -0.595 50.1-140.9 -72.1 123.6 -26.5 23.9 79.5 24 27 A Q > - 0 0 103 -2,-0.3 3,-1.9 3,-0.1 6,-0.2 -0.827 22.2-122.1 -89.3 118.9 -28.5 21.4 77.3 25 28 A A T 3 S+ 0 0 105 -2,-0.7 5,-0.0 1,-0.3 -1,-0.0 -0.309 91.8 9.7 -62.2 133.0 -29.0 18.1 79.2 26 29 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.423 89.1 142.7 76.8 3.8 -27.6 15.0 77.6 27 30 A D <> - 0 0 23 -3,-1.9 4,-2.3 1,-0.1 -1,-0.3 -0.603 46.6-147.7 -79.3 128.1 -25.8 17.1 74.9 28 31 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.781 96.4 52.1 -68.8 -30.8 -22.4 15.5 74.2 29 32 A D H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.900 109.7 48.5 -74.3 -38.7 -20.7 18.9 73.5 30 33 A F H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 111.1 52.1 -60.2 -43.2 -21.9 20.3 76.8 31 34 A A H X S+ 0 0 54 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 109.3 48.7 -59.1 -39.4 -20.7 17.2 78.5 32 35 A K H X S+ 0 0 143 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.898 109.4 52.1 -67.5 -40.3 -17.3 17.6 76.9 33 36 A A H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 111.4 48.4 -63.1 -39.6 -17.1 21.3 77.9 34 37 A I H X S+ 0 0 10 -4,-2.4 4,-3.0 1,-0.2 55,-0.2 0.921 109.0 52.8 -66.8 -40.0 -17.9 20.3 81.5 35 38 A T H X S+ 0 0 72 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.927 109.7 47.6 -59.7 -43.9 -15.2 17.5 81.4 36 39 A A H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.926 112.6 50.3 -64.6 -40.7 -12.6 20.1 80.2 37 40 A L H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 112.1 48.1 -58.1 -48.4 -13.7 22.4 83.0 38 41 A N H X S+ 0 0 37 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.912 109.9 50.7 -62.7 -41.5 -13.4 19.5 85.5 39 42 A N H X S+ 0 0 106 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.919 111.5 47.7 -67.1 -39.3 -9.9 18.5 84.3 40 43 A K H X S+ 0 0 85 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.934 113.0 48.7 -66.2 -42.2 -8.6 22.0 84.6 41 44 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.929 111.6 48.8 -61.3 -44.3 -10.1 22.4 88.1 42 45 A A H X S+ 0 0 58 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.891 109.0 54.1 -65.3 -36.1 -8.7 19.1 89.3 43 46 A D H X S+ 0 0 66 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.928 110.7 45.5 -60.5 -48.0 -5.3 20.0 87.9 44 47 A S H >< S+ 0 0 0 -4,-2.4 3,-0.9 2,-0.2 4,-0.3 0.927 111.5 51.1 -62.9 -42.8 -5.2 23.2 89.9 45 48 A L H >< S+ 0 0 47 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.908 105.4 57.4 -63.8 -33.7 -6.5 21.6 93.1 46 49 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 107.3 49.9 -67.0 -23.8 -3.7 18.9 92.7 47 50 A K T << S+ 0 0 60 -3,-0.9 12,-3.1 -4,-0.8 13,-0.3 0.362 79.9 129.7 -97.5 3.2 -1.2 21.8 92.8 48 51 A L B < -A 58 0A 41 -3,-1.5 2,-0.8 -4,-0.3 10,-0.3 -0.353 61.6-126.6 -60.8 136.2 -2.5 23.6 95.9 49 52 A D + 0 0 24 8,-3.1 5,-0.1 1,-0.1 -1,-0.1 -0.738 30.9 176.9 -83.7 116.0 0.2 24.4 98.5 50 53 A A + 0 0 102 -2,-0.8 -1,-0.1 2,-0.1 3,-0.1 0.353 33.7 127.1-100.8 1.1 -1.2 22.9 101.6 51 54 A A > - 0 0 57 1,-0.1 3,-1.3 2,-0.1 2,-0.1 -0.287 67.9-106.4 -69.3 145.3 1.8 23.8 103.8 52 55 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.1 -0.449 106.7 13.7 -64.8 142.8 1.3 25.6 107.0 53 56 A G T 3 S- 0 0 75 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.815 93.9-168.3 57.9 35.2 2.5 29.2 106.7 54 57 A R < - 0 0 39 -3,-1.3 -1,-0.1 1,-0.1 3,-0.1 -0.126 25.1-162.2 -60.6 145.8 2.6 28.9 102.9 55 58 A T S S+ 0 0 111 1,-0.0 8,-0.4 55,-0.0 2,-0.3 0.296 77.9 39.3-109.8 2.9 4.2 31.6 100.8 56 59 A S - 0 0 17 6,-0.1 6,-0.1 1,-0.1 3,-0.1 -0.949 67.5-141.2-139.5 160.9 2.5 30.6 97.6 57 60 A V S S+ 0 0 0 4,-0.3 -8,-3.1 -2,-0.3 2,-0.4 0.829 93.5 34.2 -85.6 -42.8 -1.0 29.3 96.7 58 61 A F B > S-A 48 0A 0 3,-0.5 3,-1.4 -10,-0.3 -10,-0.2 -0.921 79.4-131.9-114.1 139.0 0.1 26.8 94.2 59 62 A T T 3 S+ 0 0 96 -12,-3.1 -11,-0.1 -2,-0.4 -1,-0.1 0.709 107.3 46.8 -62.2 -20.5 3.3 24.8 94.5 60 63 A D T 3 S+ 0 0 63 -13,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.267 102.2 74.5-106.0 11.2 4.3 25.5 90.9 61 64 A L < - 0 0 14 -3,-1.4 2,-0.5 10,-0.0 -3,-0.5 -0.955 65.0-153.3-133.3 115.5 3.6 29.3 90.9 62 65 A S > - 0 0 43 -2,-0.5 3,-1.7 1,-0.1 6,-0.2 -0.734 8.9-151.7 -85.6 129.2 5.8 31.8 92.6 63 66 A L T 3 S+ 0 0 16 -2,-0.5 -1,-0.1 -8,-0.4 6,-0.1 0.630 95.8 67.7 -72.2 -12.8 4.0 35.0 93.8 64 67 A A T 3 S+ 0 0 92 1,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.463 89.2 72.3 -82.5 -3.8 7.4 36.8 93.3 65 68 A K S X> S- 0 0 122 -3,-1.7 4,-2.2 1,-0.1 3,-0.8 -0.958 79.2-146.5-113.0 117.6 7.1 36.3 89.5 66 69 A D H 3> S+ 0 0 37 -2,-0.6 4,-2.0 1,-0.3 -1,-0.1 0.831 96.0 50.9 -63.4 -31.8 4.4 38.6 88.1 67 70 A A H 3> S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.878 111.9 48.0 -68.7 -35.6 3.3 36.1 85.4 68 71 A E H <> S+ 0 0 58 -3,-0.8 4,-1.9 -6,-0.2 -2,-0.2 0.799 106.8 57.2 -75.1 -28.5 2.9 33.3 87.9 69 72 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 -7,-0.2 -2,-0.2 0.918 107.9 48.3 -60.1 -47.8 1.0 35.7 90.2 70 73 A V H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.943 110.5 49.8 -58.3 -49.5 -1.5 36.2 87.3 71 74 A T H X S+ 0 0 52 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.854 105.5 58.2 -62.3 -33.7 -1.8 32.4 86.7 72 75 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.957 111.6 42.0 -54.8 -50.5 -2.4 32.0 90.5 73 76 A Y H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.888 112.9 51.2 -67.8 -37.8 -5.4 34.4 90.1 74 77 A T H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.864 109.2 52.0 -71.0 -31.9 -6.7 32.9 86.8 75 78 A R H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.5 48.9 -65.0 -39.9 -6.6 29.4 88.4 76 79 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.904 111.8 47.7 -66.0 -39.4 -8.6 30.7 91.3 77 80 A S H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.865 111.2 51.4 -70.3 -34.3 -11.2 32.3 89.0 78 81 A Q H X S+ 0 0 33 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 110.0 49.4 -63.6 -42.5 -11.4 29.1 86.9 79 82 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 110.9 49.6 -63.0 -42.0 -12.0 27.1 90.1 80 83 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.885 109.6 52.8 -64.3 -37.1 -14.7 29.6 91.1 81 84 A T H < S+ 0 0 25 -4,-2.1 3,-0.4 2,-0.2 4,-0.3 0.941 110.9 45.9 -61.1 -47.8 -16.2 29.2 87.6 82 85 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 6,-0.2 0.922 109.4 54.8 -60.4 -43.6 -16.3 25.5 88.0 83 86 A W H 3< S+ 0 0 33 -4,-2.7 9,-2.4 1,-0.3 -1,-0.2 0.793 112.0 46.1 -60.8 -25.7 -17.8 25.8 91.6 84 87 A A T 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.359 92.9 94.7 -96.2 -0.7 -20.6 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 -0.859 78.4-121.3-102.9 113.9 -21.3 25.6 87.0 86 89 A P T 3 S+ 0 0 40 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.187 95.2 15.5 -51.1 140.0 -24.1 23.1 87.4 87 90 A T T 3 S+ 0 0 104 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.197 89.9 134.0 73.8 -7.3 -23.0 19.5 86.9 88 91 A A S X S- 0 0 6 -3,-2.2 3,-1.8 -6,-0.2 -1,-0.3 -0.406 70.1-115.0 -63.5 151.5 -19.4 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 0.871 116.6 38.1 -56.5 -39.2 -17.5 17.9 89.5 90 93 A V T > S+ 0 0 16 -5,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.306 81.8 143.6 -97.7 12.0 -16.8 20.7 92.1 91 94 A F T < S- 0 0 106 -3,-1.8 -8,-0.2 1,-0.3 -7,-0.2 -0.306 83.6 -9.3 -54.6 122.3 -20.2 22.5 91.7 92 95 A G T 3 S+ 0 0 48 -9,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.604 91.0 158.0 67.5 14.2 -21.2 23.8 95.1 93 96 A D <> - 0 0 66 -3,-2.4 4,-2.7 1,-0.2 -1,-0.2 -0.605 30.7-158.7 -79.6 115.5 -18.4 21.9 96.8 94 97 A A H > S+ 0 0 74 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.813 89.2 53.0 -66.7 -32.5 -17.7 23.6 100.2 95 98 A A H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 111.8 46.7 -70.4 -41.0 -14.2 22.2 100.6 96 99 A V H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 111.5 52.1 -60.4 -48.7 -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 0.910 107.9 51.4 -52.1 -49.4 -14.9 26.9 97.9 98 101 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 109.3 50.2 -58.6 -40.1 -12.9 27.1 101.1 99 102 A A H X S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.890 110.2 50.1 -65.2 -39.0 -9.7 26.5 99.2 100 103 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 112.3 47.6 -63.6 -48.1 -10.6 29.2 96.6 101 104 A K H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.885 112.1 48.9 -60.9 -44.2 -11.3 31.7 99.4 102 105 A A H X S+ 0 0 41 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.882 109.9 52.4 -64.4 -35.2 -8.1 30.9 101.2 103 106 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.918 110.9 46.4 -64.0 -45.8 -6.2 31.2 98.0 104 107 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.921 114.5 49.2 -61.9 -40.7 -7.7 34.7 97.3 105 108 A A H X S+ 0 0 28 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.939 114.8 41.8 -65.7 -47.6 -6.9 35.7 101.0 106 109 A D H X S+ 0 0 52 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.879 111.2 54.7 -72.3 -37.4 -3.3 34.5 101.0 107 110 A A H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-1.4 0.914 111.6 47.7 -63.2 -35.0 -2.5 35.9 97.5 108 111 A N H <5S+ 0 0 24 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.956 116.4 41.9 -63.0 -55.0 -3.8 39.3 98.8 109 112 A T H <5S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 120.9 41.3 -58.0 -47.4 -1.8 39.1 102.1 110 113 A L H <5S- 0 0 76 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.717 137.8 -22.3 -74.8 -29.3 1.4 37.8 100.5 111 114 A C T <5S+ 0 0 8 -4,-1.4 2,-1.4 -5,-0.3 -3,-0.2 0.476 112.7 64.9-148.5 -67.2 1.5 39.8 97.4 112 115 A Y S S- 0 0 10 -2,-1.4 3,-1.5 42,-0.1 39,-0.1 -0.872 77.4 -91.7-142.1 174.5 -2.6 44.2 98.1 114 117 A D T 3 S+ 0 0 77 -2,-0.3 -2,-0.1 1,-0.3 38,-0.0 0.462 120.3 54.2 -76.1 3.0 -3.1 48.0 98.4 115 118 A R T 3 S+ 0 0 192 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.370 86.4 106.2-109.0 -0.7 0.4 48.5 99.9 116 119 A K < - 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