==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-MAR-10 3M6J . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRILLUM RUBARUM; . AUTHOR C.CHANG,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWES . 526 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 75.3 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 . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 63.7 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+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 2 0 0 1 1 0 0 0 0 0 0 0 0 1 3 0 0 8 0 0 0 0 0 4 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 . 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 V 0 0 93 0, 0.0 50,-0.1 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 -35.7 31.3 -3.7 19.1 2 2 A S + 0 0 35 1,-0.1 2,-0.8 49,-0.0 403,-0.4 0.544 360.0 87.2 -62.7 -7.9 32.9 -0.6 20.7 3 3 A D + 0 0 132 401,-0.1 -1,-0.1 402,-0.1 45,-0.0 -0.837 56.5 106.2-105.2 105.1 34.7 0.2 17.4 4 4 A R S S- 0 0 16 -2,-0.8 100,-0.1 44,-0.0 101,-0.1 -0.910 73.7 -62.6-163.2 172.8 32.5 2.3 15.1 5 5 A P - 0 0 2 0, 0.0 2,-1.8 0, 0.0 96,-0.1 -0.248 50.5-104.6 -71.6 166.9 32.5 5.9 14.0 6 6 A A S S+ 0 0 46 94,-0.1 2,-0.3 2,-0.0 399,-0.0 -0.370 96.9 53.0 -83.6 56.2 32.0 8.8 16.4 7 7 A G - 0 0 19 -2,-1.8 2,-0.3 92,-0.1 92,-0.1 -0.957 68.8-134.7-170.6-172.7 28.4 9.5 15.3 8 8 A R - 0 0 63 90,-0.5 41,-0.0 -2,-0.3 -2,-0.0 -0.982 9.7-130.1-155.2 152.3 25.1 7.8 14.8 9 9 A X - 0 0 1 -2,-0.3 89,-0.0 1,-0.0 5,-0.0 -0.900 35.0-104.6-110.4 144.6 22.3 7.5 12.3 10 10 A P > - 0 0 55 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.313 32.4-116.7 -57.2 148.3 18.6 7.9 13.1 11 11 A L H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.888 115.9 54.5 -58.4 -41.1 16.7 4.6 13.2 12 12 A T H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 108.5 50.8 -62.2 -31.8 14.5 5.6 10.3 13 13 A V H > S+ 0 0 31 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.917 106.9 52.0 -72.5 -42.3 17.6 6.4 8.3 14 14 A H H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.915 109.0 52.8 -53.5 -43.5 19.2 3.0 9.1 15 15 A R H X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 109.6 47.1 -62.6 -43.0 15.9 1.4 7.9 16 16 A N H X S+ 0 0 59 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.898 112.6 48.7 -61.9 -43.8 16.1 3.3 4.6 17 17 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.935 110.4 52.8 -65.6 -42.7 19.8 2.4 4.0 18 18 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.897 108.9 49.5 -53.9 -46.0 18.8 -1.2 4.8 19 19 A R H X S+ 0 0 127 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 112.2 47.5 -60.9 -46.4 16.1 -1.1 2.2 20 20 A W H X S+ 0 0 49 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.911 112.5 48.6 -63.3 -45.3 18.5 0.3 -0.5 21 21 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.894 111.8 49.9 -60.6 -41.9 21.2 -2.2 0.3 22 22 A S H X S+ 0 0 27 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.883 110.4 49.8 -65.7 -40.9 18.7 -5.1 0.1 23 23 A E H X S+ 0 0 72 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.917 112.0 47.3 -62.5 -46.1 17.3 -3.8 -3.3 24 24 A I H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.959 113.9 49.3 -57.3 -48.9 20.9 -3.5 -4.7 25 25 A L H >X S+ 0 0 21 -4,-2.7 4,-1.3 1,-0.2 3,-1.0 0.919 107.1 52.8 -60.2 -46.6 21.6 -7.0 -3.4 26 26 A H H 3< S+ 0 0 141 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.0 43.0 -57.1 -34.6 18.4 -8.6 -4.8 27 27 A A H 3< S+ 0 0 23 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.579 126.9 28.3 -86.0 -14.1 19.3 -7.2 -8.3 28 28 A S H X< S+ 0 0 0 -4,-1.0 3,-2.6 -3,-1.0 7,-0.6 0.241 71.3 121.8-137.3 14.9 23.1 -8.0 -8.2 29 29 A I T 3< S+ 0 0 100 -4,-1.3 45,-0.2 1,-0.3 -3,-0.1 0.605 83.5 50.2 -64.6 -14.3 23.6 -11.1 -6.1 30 30 A R T 3 S+ 0 0 142 43,-2.6 2,-1.0 1,-0.1 -1,-0.3 0.384 91.8 80.6 -98.5 -3.6 25.2 -12.9 -9.0 31 31 A D X> - 0 0 19 -3,-2.6 4,-2.7 42,-0.3 3,-1.5 -0.799 69.5-170.3 -97.4 87.5 27.5 -9.9 -9.8 32 32 A T H 3> S+ 0 0 106 -2,-1.0 4,-2.0 1,-0.3 5,-0.3 0.701 77.1 58.5 -66.0 -23.4 30.0 -10.9 -7.1 33 33 A G H 3> S+ 0 0 9 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.843 117.4 36.6 -68.7 -32.2 32.2 -7.7 -7.2 34 34 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 -6,-0.2 3,-0.3 0.929 118.4 47.8 -79.8 -52.5 29.0 -5.8 -6.4 35 35 A S H X S+ 0 0 14 -4,-2.7 4,-2.7 -7,-0.6 5,-0.2 0.872 108.5 52.5 -66.4 -35.3 27.3 -8.2 -4.0 36 36 A S H X S+ 0 0 46 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.881 112.4 46.9 -67.1 -36.3 30.4 -8.9 -1.8 37 37 A R H X S+ 0 0 2 -4,-0.6 4,-1.9 -3,-0.3 -2,-0.2 0.907 112.7 48.6 -68.5 -43.7 30.9 -5.2 -1.3 38 38 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.911 109.6 52.4 -64.0 -41.3 27.2 -4.6 -0.5 39 39 A E H X S+ 0 0 43 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.885 108.1 52.6 -61.8 -39.7 27.2 -7.6 2.0 40 40 A F H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.892 111.0 46.0 -60.1 -43.7 30.2 -6.0 3.7 41 41 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.933 114.0 48.5 -68.2 -44.4 28.4 -2.7 4.1 42 42 A R H X S+ 0 0 26 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.942 112.9 47.2 -59.9 -47.3 25.2 -4.4 5.3 43 43 A R H X S+ 0 0 126 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.874 112.1 51.5 -63.3 -38.0 27.1 -6.5 7.9 44 44 A T H X S+ 0 0 13 -4,-1.9 4,-2.1 -5,-0.2 3,-0.3 0.958 112.4 43.2 -64.2 -50.9 29.1 -3.5 9.1 45 45 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.821 107.4 62.0 -64.7 -32.6 26.0 -1.3 9.7 46 46 A H H X S+ 0 0 38 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.903 107.9 43.9 -62.3 -39.8 24.2 -4.2 11.3 47 47 A G H X S+ 0 0 35 -4,-1.5 4,-0.7 -3,-0.3 3,-0.3 0.907 114.6 49.4 -68.7 -43.9 26.9 -4.4 14.0 48 48 A W H >X S+ 0 0 23 -4,-2.1 4,-1.7 1,-0.2 3,-1.3 0.926 103.5 57.1 -65.3 -44.3 27.0 -0.6 14.5 49 49 A V H 3X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.833 97.6 63.8 -60.2 -30.2 23.2 0.0 14.8 50 50 A R H 3< S+ 0 0 36 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.847 109.6 39.2 -63.4 -31.5 23.1 -2.4 17.8 51 51 A E H << S+ 0 0 71 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.723 109.5 60.1 -88.5 -24.0 25.4 -0.1 19.8 52 52 A E H < S+ 0 0 0 -4,-1.7 2,-0.4 1,-0.1 -2,-0.2 0.752 109.4 44.8 -73.1 -24.4 23.8 3.1 18.6 53 53 A Y S < S- 0 0 23 -4,-1.4 -1,-0.1 5,-0.1 2,-0.1 -0.951 81.7-126.0-125.8 138.6 20.3 2.1 20.0 54 54 A S > - 0 0 18 -2,-0.4 4,-2.7 1,-0.1 -2,-0.0 -0.331 32.8-105.9 -72.7 166.0 19.3 0.6 23.4 55 55 A E T 4 S+ 0 0 137 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.732 122.5 52.6 -64.9 -20.8 17.3 -2.6 23.6 56 56 A T T 4 S+ 0 0 71 2,-0.1 -1,-0.2 1,-0.1 429,-0.0 0.893 113.7 41.3 -81.4 -35.1 14.3 -0.5 24.7 57 57 A E T 4 S+ 0 0 65 1,-0.3 -2,-0.2 2,-0.0 -1,-0.1 0.842 134.5 22.1 -71.9 -35.0 14.6 1.8 21.6 58 58 A L S < S- 0 0 0 -4,-2.7 -1,-0.3 -8,-0.1 -2,-0.1 -0.768 85.1-153.1-139.0 88.2 15.3 -1.1 19.3 59 59 A P >> - 0 0 58 0, 0.0 4,-3.1 0, 0.0 3,-0.5 -0.214 29.7-108.3 -61.3 152.5 14.2 -4.5 20.6 60 60 A N H 3> S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 118.4 52.8 -49.1 -46.2 16.0 -7.6 19.6 61 61 A A H 3> S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.897 113.8 43.3 -60.2 -40.3 13.1 -8.8 17.3 62 62 A V H X> S+ 0 0 60 -3,-0.5 4,-0.9 2,-0.2 3,-0.6 0.943 111.3 56.3 -68.7 -47.8 13.0 -5.4 15.5 63 63 A Y H >X S+ 0 0 25 -4,-3.1 3,-1.4 1,-0.2 4,-0.6 0.906 100.1 56.4 -48.4 -53.9 16.8 -5.3 15.3 64 64 A R H 3X S+ 0 0 150 -4,-2.3 4,-0.5 1,-0.3 -1,-0.2 0.826 111.2 45.4 -53.2 -35.2 17.3 -8.7 13.5 65 65 A N H << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.583 90.6 85.3 -82.2 -14.5 15.0 -7.5 10.7 66 66 A L H << S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.1 0.907 113.2 5.6 -62.3 -49.4 16.4 -4.0 10.1 67 67 A Y H < S+ 0 0 0 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.554 120.1 76.3-106.1 -16.6 19.3 -4.8 7.7 68 68 A F < 0 0 54 -4,-0.5 -2,-0.2 -5,-0.3 -1,-0.2 -0.527 360.0 360.0-126.8 66.3 18.4 -8.5 7.3 69 69 A P 0 0 96 0, 0.0 -47,-0.2 0, 0.0 -3,-0.2 -0.955 360.0 360.0-100.0 360.0 16.1 -7.5 5.4 70 ! 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 71 79 A G 0 0 114 0, 0.0 -44,-0.0 0, 0.0 -45,-0.0 0.000 360.0 360.0 360.0 157.4 14.6 -11.4 -11.3 72 80 A S - 0 0 47 2,-0.3 3,-0.1 -45,-0.1 -45,-0.1 0.601 360.0-130.1 -84.9 -13.6 17.8 -13.0 -12.7 73 81 A G S S+ 0 0 10 1,-0.2 -43,-2.6 -47,-0.1 2,-0.4 0.656 76.9 100.4 68.6 19.4 19.9 -11.5 -9.9 74 82 A K S S- 0 0 78 -45,-0.2 2,-0.7 -44,-0.1 -2,-0.3 -0.986 79.0-118.7-137.0 141.4 22.3 -10.2 -12.5 75 83 A I + 0 0 6 -2,-0.4 -47,-0.1 1,-0.2 3,-0.0 -0.735 51.3 144.8 -82.4 113.1 22.7 -6.7 -13.9 76 84 A E + 0 0 95 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.331 47.7 63.6-134.4 4.2 22.0 -6.9 -17.6 77 85 A T S > S- 0 0 63 1,-0.1 4,-1.9 53,-0.1 5,-0.1 -0.956 73.3-126.0-131.1 155.2 20.2 -3.7 -18.6 78 86 A I H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.903 113.0 59.4 -59.4 -40.5 21.0 -0.0 -18.8 79 87 A S H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 106.3 46.3 -52.3 -47.2 17.9 0.6 -16.7 80 88 A E H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.877 109.1 54.2 -66.8 -40.3 19.2 -1.6 -13.9 81 89 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.923 112.1 45.8 -58.1 -43.2 22.7 0.1 -14.0 82 90 A D H X S+ 0 0 77 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 112.5 49.3 -65.9 -48.5 21.0 3.5 -13.6 83 91 A R H X S+ 0 0 107 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.948 114.5 44.2 -56.6 -50.5 18.7 2.3 -10.8 84 92 A L H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.867 109.1 56.6 -66.0 -36.4 21.5 0.8 -8.8 85 93 A K H X S+ 0 0 97 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.908 109.4 47.2 -62.2 -41.2 23.8 3.7 -9.4 86 94 A N H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 110.5 50.6 -67.1 -39.4 21.2 6.0 -7.8 87 95 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 110.5 50.5 -64.1 -43.2 20.6 3.6 -4.9 88 96 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.927 109.2 51.0 -56.7 -44.9 24.4 3.6 -4.3 89 97 A R H X S+ 0 0 130 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.901 108.4 52.5 -59.9 -41.7 24.4 7.4 -4.4 90 98 A N H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.918 112.5 45.0 -58.7 -45.2 21.6 7.4 -1.8 91 99 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.944 115.1 46.3 -65.7 -48.8 23.6 5.2 0.5 92 100 A T H X S+ 0 0 35 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.931 112.5 49.5 -60.4 -49.5 26.9 7.1 0.1 93 101 A D H X S+ 0 0 68 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.871 112.2 50.0 -56.5 -40.5 25.2 10.5 0.6 94 102 A T H X S+ 0 0 14 -4,-1.8 4,-0.6 -5,-0.3 5,-0.2 0.922 107.5 52.6 -69.3 -43.7 23.5 9.2 3.8 95 103 A L H >X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 3,-1.2 0.932 110.1 47.2 -57.4 -45.2 26.6 7.8 5.3 96 104 A V H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.1 58.2 -69.5 -25.4 28.6 11.1 4.9 97 105 A E H 3< S+ 0 0 141 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.579 120.4 25.6 -73.1 -15.5 25.6 13.0 6.4 98 106 A N H << S+ 0 0 30 -3,-1.2 -90,-0.5 -4,-0.6 -2,-0.2 0.704 112.8 57.4-123.7 -34.1 25.7 11.0 9.6 99 107 A Y S < S- 0 0 7 -4,-3.1 -1,-0.2 -5,-0.2 3,-0.1 -0.860 75.7-123.4-112.0 136.4 29.2 9.6 10.2 100 108 A P - 0 0 60 0, 0.0 5,-0.4 0, 0.0 2,-0.2 -0.268 41.8 -85.8 -70.3 164.3 32.4 11.7 10.6 101 109 A Q S S+ 0 0 197 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.436 75.7 113.3 -66.5 135.3 35.4 11.0 8.3 102 110 A G S > S- 0 0 26 -2,-0.2 4,-2.3 -3,-0.1 5,-0.1 -0.933 80.8 -78.0 176.2 176.6 37.7 8.3 9.7 103 111 A L H > S+ 0 0 55 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.833 121.7 62.4 -60.3 -32.5 38.9 4.8 8.9 104 112 A E H > S+ 0 0 90 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.959 115.0 27.8 -63.0 -56.0 35.6 3.3 10.2 105 113 A S H > S+ 0 0 9 -5,-0.4 4,-2.1 1,-0.2 3,-0.5 0.807 112.5 69.5 -74.4 -26.3 33.3 5.0 7.6 106 114 A E H X S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.3 5,-0.2 0.890 92.2 58.8 -62.1 -36.1 36.1 5.1 5.0 107 115 A A H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.907 108.8 45.1 -54.2 -45.2 35.9 1.4 4.6 108 116 A L H X S+ 0 0 1 -4,-0.6 4,-2.4 -3,-0.5 -2,-0.2 0.891 111.3 51.3 -64.7 -43.2 32.2 1.7 3.6 109 117 A L H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.863 111.0 49.5 -67.7 -37.1 32.8 4.6 1.2 110 118 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.944 110.0 49.2 -63.2 -49.4 35.5 2.6 -0.5 111 119 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.903 112.6 49.3 -56.3 -40.3 33.4 -0.5 -0.9 112 120 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.870 108.0 52.8 -72.2 -33.7 30.6 1.7 -2.3 113 121 A D H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.904 106.6 54.3 -64.7 -39.9 33.0 3.3 -4.7 114 122 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.884 102.9 56.1 -60.3 -37.3 34.0 -0.2 -5.9 115 123 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.944 108.1 48.4 -57.7 -45.5 30.3 -1.0 -6.5 116 124 A K H X S+ 0 0 81 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.882 107.6 54.2 -61.6 -39.6 30.3 2.1 -8.8 117 125 A L H X S+ 0 0 38 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.900 112.3 45.8 -59.0 -41.5 33.5 0.9 -10.5 118 126 A E H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 109.6 52.5 -70.5 -41.7 31.7 -2.4 -11.2 119 127 A L H X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.891 109.2 52.0 -56.7 -40.7 28.5 -0.8 -12.4 120 128 A A H X S+ 0 0 49 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.880 109.7 47.3 -63.5 -44.2 30.6 1.3 -14.9 121 129 A R H X S+ 0 0 122 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.875 114.0 47.6 -64.3 -39.4 32.3 -1.9 -16.3 122 130 A I H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 110.1 52.9 -71.3 -43.4 29.0 -3.7 -16.6 123 131 A R H X S+ 0 0 54 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.901 108.4 50.0 -56.5 -44.4 27.4 -0.7 -18.3 124 132 A K H X S+ 0 0 115 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.882 109.5 51.7 -63.7 -40.2 30.3 -0.5 -20.9 125 133 A D H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.907 110.8 47.8 -59.3 -43.3 29.8 -4.2 -21.6 126 134 A I H X S+ 0 0 32 -4,-2.4 4,-1.8 3,-0.2 -2,-0.2 0.936 113.4 48.4 -63.8 -45.9 26.1 -3.7 -22.2 127 135 A E H < S+ 0 0 134 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.909 122.1 31.9 -64.5 -42.1 26.7 -0.7 -24.5 128 136 A X H < S+ 0 0 108 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.899 133.9 24.2 -83.1 -42.3 29.3 -2.3 -26.6 129 137 A Y H < S+ 0 0 146 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.413 105.4 84.1-107.7 -2.7 28.3 -6.0 -26.6 130 138 A G S < S- 0 0 33 -4,-1.8 -53,-0.1 -5,-0.3 -4,-0.0 -0.152 97.4 -47.9 -90.0-169.5 24.5 -5.9 -25.9 131 139 A D - 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