==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-FEB-09 3G4Z . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [NI]; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR S.C.GARMAN,A.I.GUCE,R.W.HERBST,P.A.BRYNGELSON,D.E.CABELLI, . 351 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 78.3 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 . 0 0.0 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 . 0 0.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 3 0 0 0 0 0 0 0 0 0 3 3 0 0 0 1 0 2 0 0 0 0 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H 0 0 77 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -1.2 -9.8 21.6 26.6 2 2 A C - 0 0 80 6,-0.1 55,-0.0 59,-0.1 0, 0.0 0.519 360.0-122.8 -97.6 -14.4 -10.8 18.6 28.8 3 3 A D S S+ 0 0 115 54,-0.0 0, 0.0 58,-0.0 0, 0.0 0.542 83.4 105.9 88.1 12.2 -14.2 18.1 27.0 4 4 A L S S- 0 0 143 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.912 105.6-104.0 -55.8 -54.3 -16.5 18.3 30.2 5 5 A P S S+ 0 0 111 0, 0.0 56,-0.0 0, 0.0 0, 0.0 0.481 70.9 159.7 -79.6 148.7 -17.1 21.0 28.9 6 6 A C - 0 0 57 -2,-0.1 3,-0.1 2,-0.1 0, 0.0 0.554 42.9-137.2-102.2 -20.4 -15.0 23.2 31.3 7 7 A G + 0 0 44 1,-0.2 2,-0.7 54,-0.1 55,-0.0 0.647 58.9 129.8 71.7 16.7 -14.8 26.1 28.9 8 8 A V + 0 0 90 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.907 26.1 149.5-107.4 110.1 -11.1 26.9 29.5 9 9 A F + 0 0 21 -2,-0.7 3,-0.0 -8,-0.1 49,-0.0 -0.943 15.4 167.5-134.1 151.7 -9.2 27.1 26.2 10 10 A D > - 0 0 57 -2,-0.3 3,-2.0 1,-0.0 4,-0.4 -0.739 33.5-142.4-165.5 123.6 -6.1 29.1 25.1 11 11 A P T 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.619 92.3 88.2 -63.0 -12.6 -4.1 28.6 21.8 12 12 A A H 3> S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.792 81.0 59.8 -48.6 -33.3 -1.0 29.4 24.1 13 13 A Q H <> S+ 0 0 65 -3,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.970 109.3 40.2 -63.8 -51.3 -1.0 25.7 24.7 14 14 A A H > S+ 0 0 1 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.926 116.2 53.0 -58.6 -47.8 -0.5 24.9 21.0 15 15 A R H X S+ 0 0 91 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.888 106.3 49.8 -58.9 -48.0 1.9 27.8 20.7 16 16 A I H X S+ 0 0 98 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.906 112.7 47.7 -58.8 -39.2 4.2 26.8 23.5 17 17 A E H X S+ 0 0 27 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.922 112.3 49.5 -68.9 -39.6 4.5 23.3 22.1 18 18 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.849 107.6 55.2 -66.9 -34.3 5.2 24.6 18.6 19 19 A E H X S+ 0 0 93 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.898 105.6 52.1 -60.2 -40.1 7.9 27.0 20.1 20 20 A S H X S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 107.0 53.7 -63.5 -38.5 9.6 24.0 21.6 21 21 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.962 111.9 43.0 -60.2 -52.5 9.5 22.3 18.1 22 22 A K H X S+ 0 0 48 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.909 113.7 52.4 -62.6 -41.2 11.2 25.4 16.5 23 23 A A H X S+ 0 0 39 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.890 108.5 49.9 -58.7 -42.8 13.7 25.6 19.4 24 24 A V H X S+ 0 0 23 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.931 109.9 51.3 -64.8 -41.8 14.6 21.9 19.1 25 25 A Q H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.942 108.8 51.7 -57.9 -49.3 15.2 22.4 15.3 26 26 A E H >< S+ 0 0 101 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.864 108.5 50.9 -52.1 -39.3 17.4 25.4 16.1 27 27 A K H >X S+ 0 0 136 -4,-1.7 3,-1.3 1,-0.2 4,-0.7 0.827 98.4 66.2 -71.5 -35.1 19.5 23.3 18.6 28 28 A M H 3< S+ 0 0 11 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.792 98.0 53.5 -56.7 -29.9 20.0 20.5 16.0 29 29 A A T << S+ 0 0 96 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.660 107.1 56.2 -73.9 -19.1 22.1 23.0 13.9 30 30 A G T <4 S+ 0 0 68 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.624 110.2 31.4 -89.6 -17.0 24.3 23.6 17.0 31 31 A N < - 0 0 70 -4,-0.7 -1,-0.2 -3,-0.4 6,-0.0 -0.916 52.5-167.7-152.6 112.3 25.5 20.2 18.0 32 32 A D + 0 0 143 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.435 42.1 134.0 -90.3 5.1 26.2 17.2 15.7 33 33 A D > - 0 0 63 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.302 55.7-140.6 -47.8 122.6 26.5 14.6 18.4 34 34 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 101.9 53.5 -58.7 -36.2 24.4 11.7 17.0 35 35 A H H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.910 111.3 45.4 -62.9 -43.5 23.1 10.9 20.5 36 36 A F H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 111.4 52.9 -63.8 -46.7 22.0 14.6 20.8 37 37 A Q H X S+ 0 0 30 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.895 110.8 47.9 -55.1 -39.2 20.5 14.5 17.3 38 38 A T H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.949 111.7 47.8 -71.6 -47.3 18.5 11.4 18.2 39 39 A R H X S+ 0 0 44 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.909 111.2 51.8 -57.9 -42.7 17.2 12.9 21.5 40 40 A A H X S+ 0 0 7 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.892 110.5 50.3 -56.9 -41.8 16.3 16.2 19.7 41 41 A T H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.6 47.9 -64.6 -48.1 14.4 13.9 17.2 42 42 A V H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.936 115.9 44.5 -51.7 -51.2 12.5 12.1 19.9 43 43 A I H X S+ 0 0 42 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.906 111.4 52.1 -69.1 -42.0 11.6 15.3 21.7 44 44 A K H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.887 107.1 52.6 -62.9 -40.5 10.6 17.1 18.5 45 45 A E H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.928 113.4 45.1 -59.6 -42.9 8.2 14.3 17.5 46 46 A Q H X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.915 113.5 47.0 -68.8 -45.3 6.5 14.4 20.9 47 47 A R H X S+ 0 0 80 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.872 112.0 50.7 -69.9 -34.8 6.1 18.2 21.1 48 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.900 109.3 51.4 -67.6 -38.7 4.8 18.5 17.6 49 49 A E H X S+ 0 0 105 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.912 109.9 49.2 -64.4 -42.5 2.2 15.8 18.3 50 50 A L H X S+ 0 0 63 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.891 109.5 52.6 -60.8 -43.1 1.1 17.6 21.5 51 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 109.2 49.9 -57.0 -45.4 0.8 20.9 19.5 52 52 A K H X S+ 0 0 50 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.887 108.9 51.6 -62.6 -44.7 -1.4 19.0 16.9 53 53 A H H X S+ 0 0 111 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.939 110.1 49.2 -54.9 -48.0 -3.6 17.7 19.7 54 54 A H H X S+ 0 0 31 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 112.8 47.5 -62.4 -42.9 -4.0 21.3 21.2 55 55 A V H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.939 111.7 49.6 -61.9 -47.8 -4.9 22.7 17.7 56 56 A S H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.900 109.7 51.9 -57.1 -45.4 -7.4 19.9 17.0 57 57 A V H X>S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.8 0.873 106.8 52.6 -60.0 -42.5 -9.1 20.3 20.4 58 58 A L H X>S+ 0 0 8 -4,-1.9 5,-2.7 3,-0.2 4,-1.7 0.954 113.1 46.4 -56.2 -47.8 -9.6 24.1 19.8 59 59 A W H <5S+ 0 0 92 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.880 124.1 29.3 -63.9 -42.7 -11.2 23.3 16.5 60 60 A S H <5S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 132.0 29.8 -88.8 -37.3 -13.5 20.5 17.7 61 61 A D H <5S+ 0 0 33 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.729 127.8 29.6 -99.7 -29.4 -14.1 21.5 21.3 62 62 A Y T <> - 0 0 109 -2,-0.1 4,-1.7 -3,-0.0 3,-0.8 -0.774 39.3 -87.6-126.2 166.2 -18.8 26.3 17.3 65 65 A P H 3> S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.816 123.4 56.9 -50.5 -40.5 -21.0 26.7 14.2 66 66 A P H 3> S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.942 107.4 50.6 -55.4 -43.8 -21.5 30.5 14.6 67 67 A H H <> S+ 0 0 34 -3,-0.8 4,-2.5 1,-0.2 7,-0.2 0.898 108.9 51.5 -57.1 -42.5 -17.6 30.8 14.6 68 68 A F H < S+ 0 0 39 -4,-1.7 6,-0.2 2,-0.2 -1,-0.2 0.878 110.3 47.6 -67.4 -37.2 -17.4 28.8 11.4 69 69 A E H < S+ 0 0 157 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.9 45.7 -61.6 -49.5 -20.1 30.9 9.6 70 70 A K H < S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.817 125.0 32.6 -63.0 -34.3 -18.3 34.1 10.7 71 71 A Y >< + 0 0 15 -4,-2.5 3,-2.2 -5,-0.2 4,-0.3 -0.698 67.5 172.4-125.1 80.2 -14.8 32.7 9.7 72 72 A P T 3 S+ 0 0 104 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.680 79.4 57.1 -66.3 -17.6 -15.4 30.4 6.7 73 73 A E T 3> S+ 0 0 100 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.421 82.4 91.9 -84.3 -3.0 -11.7 30.0 6.2 74 74 A L H <> S+ 0 0 0 -3,-2.2 4,-2.4 -6,-0.2 5,-0.2 0.908 80.3 52.2 -66.4 -43.8 -11.3 28.6 9.7 75 75 A H H > S+ 0 0 89 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.951 114.5 43.0 -53.4 -53.5 -11.7 24.9 8.9 76 76 A Q H > S+ 0 0 113 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.876 111.5 55.9 -62.0 -39.1 -9.0 25.0 6.2 77 77 A L H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.881 108.7 46.8 -55.8 -43.4 -6.8 27.2 8.5 78 78 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.965 111.8 50.8 -70.5 -44.2 -6.9 24.5 11.2 79 79 A N H X S+ 0 0 66 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.920 111.0 49.2 -54.4 -44.5 -6.1 21.8 8.6 80 80 A D H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.877 108.8 52.3 -63.7 -40.4 -3.2 23.8 7.3 81 81 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.895 110.3 47.6 -60.7 -48.8 -1.8 24.4 10.8 82 82 A L H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.902 113.2 48.2 -61.9 -40.8 -1.9 20.6 11.6 83 83 A K H X S+ 0 0 123 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.874 110.3 52.7 -69.4 -34.5 -0.2 19.8 8.3 84 84 A A H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 16,-0.3 0.894 108.3 49.8 -62.4 -41.8 2.4 22.5 9.0 85 85 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.902 109.8 51.2 -64.6 -41.0 3.0 20.8 12.4 86 86 A S H X S+ 0 0 50 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.906 109.6 51.0 -56.6 -42.8 3.4 17.4 10.6 87 87 A A H < S+ 0 0 57 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.926 110.4 48.4 -65.6 -41.9 5.9 19.1 8.2 88 88 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 8,-0.3 -1,-0.2 0.899 106.7 56.8 -59.1 -45.5 7.9 20.5 11.2 89 89 A K H 3< S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.911 110.6 45.7 -49.5 -43.9 7.8 17.0 12.8 90 90 A G T 3< S+ 0 0 31 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 0.465 109.5 67.2 -82.9 -1.2 9.5 15.7 9.7 91 91 A S < - 0 0 29 -3,-1.5 -66,-0.0 -4,-0.3 6,-0.0 -0.843 54.9-157.3-128.4 152.7 12.1 18.4 9.3 92 92 A K + 0 0 90 -2,-0.3 -63,-0.1 -64,-0.0 -64,-0.1 0.451 69.6 106.5 -95.7 -3.0 15.3 19.8 11.0 93 93 A D >> - 0 0 89 1,-0.2 3,-2.5 -65,-0.1 4,-0.7 -0.664 63.6-150.3 -84.6 117.0 14.7 23.2 9.3 94 94 A P H 3> S+ 0 0 37 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.678 92.7 75.0 -62.2 -18.1 13.5 25.9 11.9 95 95 A A H 3> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.808 93.6 52.8 -59.5 -30.5 11.7 27.6 9.0 96 96 A T H <> S+ 0 0 33 -3,-2.5 4,-2.1 2,-0.2 -8,-0.3 0.903 107.9 49.3 -73.1 -40.3 9.2 24.7 9.2 97 97 A G H X S+ 0 0 0 -4,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.912 111.2 51.4 -59.3 -44.3 8.7 25.3 13.0 98 98 A Q H X S+ 0 0 63 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.913 106.0 52.9 -59.7 -47.7 8.2 29.0 12.2 99 99 A K H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.923 109.2 49.9 -54.6 -44.6 5.5 28.3 9.5 100 100 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -16,-0.3 -2,-0.2 0.944 111.3 49.5 -59.1 -49.5 3.6 26.2 12.1 101 101 A L H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.898 107.1 55.2 -53.3 -45.6 3.8 29.1 14.6 102 102 A D H X S+ 0 0 64 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.885 109.5 46.2 -58.1 -43.4 2.6 31.6 11.9 103 103 A Y H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 111.3 52.0 -64.3 -43.9 -0.5 29.5 11.3 104 104 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.884 105.0 56.9 -58.2 -38.4 -1.1 29.2 15.1 105 105 A A H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 105.2 51.2 -63.4 -35.7 -0.8 33.0 15.4 106 106 A Q H X S+ 0 0 107 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.862 110.6 47.5 -65.7 -40.7 -3.7 33.3 12.8 107 107 A I H X S+ 0 0 2 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.928 110.2 54.9 -62.3 -40.6 -5.8 30.8 14.9 108 108 A D H X S+ 0 0 34 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.891 106.1 50.6 -61.5 -43.4 -4.9 32.9 18.0 109 109 A K H X S+ 0 0 136 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.931 113.7 43.9 -61.8 -46.9 -6.1 36.1 16.4 110 110 A I H X S+ 0 0 9 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.947 111.0 56.8 -60.8 -47.4 -9.5 34.5 15.5 111 111 A F H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.918 106.6 46.3 -50.7 -55.6 -9.7 32.9 18.9 112 112 A W H X S+ 0 0 111 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.843 108.1 58.1 -65.0 -27.5 -9.4 36.2 20.9 113 113 A E H >X S+ 0 0 72 -4,-1.5 3,-1.9 1,-0.2 4,-1.5 0.957 104.0 51.2 -62.6 -47.1 -12.0 37.8 18.6 114 114 A T H 3< S+ 0 0 15 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 102.6 61.1 -60.7 -24.9 -14.6 35.1 19.5 115 115 A K H 3< S+ 0 0 96 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.617 106.1 48.1 -74.2 -16.8 -13.8 35.9 23.2 116 116 A K H << 0 0 188 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.829 360.0 360.0 -90.4 -36.3 -15.0 39.5 22.6 117 117 A A < 0 0 101 -4,-1.5 -1,-0.3 0, 0.0 0, 0.0 -0.988 360.0 360.0-157.8 360.0 -18.3 38.8 20.8 118 !* 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 0.0 119 1 B H 0 0 77 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -5.6 -11.1 -3.8 24.6 120 2 B C - 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