==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-04 1WCR . COMPND 2 MOLECULE: PTS SYSTEM, N, N'-DIACETYLCHITOBIOSE-SPECIFIC . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.TANG,G.M.CLORE . 309 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 82.8 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 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 A >> 0 0 57 0, 0.0 4,-4.8 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 174.5 14.5 -7.3 -18.3 2 2 A E H >5 + 0 0 161 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.807 360.0 9.8 -25.2 -89.4 11.3 -7.7 -16.3 3 3 A E H >5S+ 0 0 142 2,-0.2 4,-5.0 1,-0.2 5,-0.4 0.973 130.7 54.2 -62.8 -59.8 12.7 -8.2 -12.8 4 4 A L H >5S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.862 113.6 44.9 -43.9 -42.5 16.3 -7.3 -13.6 5 5 A E H X5S+ 0 0 58 -4,-4.8 4,-1.7 2,-0.2 -1,-0.2 0.932 118.5 41.3 -69.4 -45.9 15.1 -4.0 -15.1 6 6 A E H XS+ 0 0 56 -4,-2.2 5,-2.7 1,-0.2 3,-0.3 0.906 105.6 53.5 -58.7 -42.0 22.9 17.0 11.2 29 29 A A H ><5S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.901 103.7 55.6 -60.6 -41.4 26.6 17.2 12.1 30 30 A K H 3<5S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.8 53.1 -61.1 -32.0 26.7 20.8 10.9 31 31 A Q T 3<5S- 0 0 128 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.508 124.8-108.3 -81.0 -1.6 23.9 21.6 13.3 32 32 A G T < 5S+ 0 0 25 -3,-1.8 2,-1.0 -4,-0.3 -3,-0.2 0.668 77.6 135.9 84.4 18.6 26.0 20.0 16.0 33 33 A D >< + 0 0 73 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.698 16.5 162.6-101.1 81.7 23.8 16.9 16.3 34 34 A F H > S+ 0 0 50 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.838 73.8 58.3 -66.6 -33.8 26.3 14.0 16.4 35 35 A A H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 109.9 41.4 -62.0 -49.7 23.6 11.6 17.8 36 36 A A H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 113.2 55.1 -66.7 -36.8 21.3 12.1 14.8 37 37 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.962 109.1 46.9 -60.3 -50.0 24.3 12.0 12.4 38 38 A K H X S+ 0 0 144 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 112.8 49.4 -57.6 -45.0 25.4 8.6 13.8 39 39 A A H X S+ 0 0 52 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.6 47.5 -61.9 -43.1 21.8 7.2 13.6 40 40 A M H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 111.8 50.5 -65.3 -41.2 21.5 8.4 10.0 41 41 A M H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 108.7 51.8 -62.5 -43.4 24.8 6.9 9.1 42 42 A D H X S+ 0 0 105 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.928 112.9 44.4 -60.4 -45.9 24.0 3.6 10.6 43 43 A Q H X S+ 0 0 114 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.892 110.1 56.1 -65.9 -39.5 20.7 3.5 8.6 44 44 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 108.2 48.0 -57.7 -46.3 22.5 4.6 5.5 45 45 A R H X S+ 0 0 140 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.897 108.7 53.4 -61.9 -42.8 24.9 1.7 5.7 46 46 A M H X S+ 0 0 133 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.907 108.2 50.8 -60.9 -40.4 22.1 -0.8 6.3 47 47 A A H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 113.8 44.8 -61.9 -43.6 20.4 0.4 3.1 48 48 A L H X S+ 0 0 13 -4,-2.0 4,-3.7 2,-0.2 5,-0.2 0.879 109.8 55.3 -66.4 -41.6 23.6 0.0 1.2 49 49 A N H X S+ 0 0 89 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.926 110.5 45.0 -60.5 -44.3 24.3 -3.4 2.7 50 50 A E H X S+ 0 0 128 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 115.4 48.4 -65.7 -40.1 21.0 -4.7 1.6 51 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.8 48.7 -64.9 -45.8 21.5 -3.1 -1.8 52 52 A H H X S+ 0 0 90 -4,-3.7 4,-2.7 1,-0.2 -2,-0.2 0.884 108.2 55.1 -61.4 -39.6 25.0 -4.6 -2.1 53 53 A L H X S+ 0 0 105 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.912 108.2 48.1 -61.2 -42.6 23.7 -8.0 -1.1 54 54 A V H X S+ 0 0 56 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.920 111.9 49.3 -64.1 -43.7 21.1 -7.9 -4.0 55 55 A Q H X S+ 0 0 6 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.895 106.8 56.5 -62.5 -40.3 23.8 -6.8 -6.4 56 56 A T H X S+ 0 0 47 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.932 106.6 49.1 -57.8 -45.4 26.1 -9.6 -5.2 57 57 A K H X S+ 0 0 165 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.917 113.1 48.8 -60.0 -41.0 23.4 -12.2 -6.0 58 58 A L H X S+ 0 0 23 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.996 113.7 43.6 -61.5 -61.3 23.0 -10.6 -9.4 59 59 A I H < S+ 0 0 39 -4,-3.4 4,-0.3 1,-0.2 -2,-0.2 0.848 124.2 37.6 -53.0 -39.4 26.8 -10.6 -10.2 60 60 A E H < S+ 0 0 166 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.927 132.7 24.3 -79.7 -49.3 27.1 -14.1 -8.9 61 61 A G H < S+ 0 0 66 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.383 106.5 84.4 -98.5 3.4 23.9 -15.7 -10.1 62 62 A D < + 0 0 39 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.982 61.0 82.0 -65.8 -86.7 23.3 -13.3 -13.0 63 63 A A - 0 0 33 -4,-0.3 8,-0.0 5,-0.3 6,-0.0 0.093 64.0-158.1 -27.2 107.0 25.2 -14.5 -16.0 64 64 A G S S+ 0 0 84 1,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.961 77.4 43.8 -57.9 -52.8 22.9 -17.1 -17.4 65 65 A E S S- 0 0 171 2,-0.0 -1,-0.1 3,-0.0 -3,-0.0 -0.760 114.7 -70.1 -99.6 143.8 25.8 -18.8 -19.3 66 66 A G S S+ 0 0 73 -2,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.253 95.8 88.6 19.1-108.9 29.3 -19.5 -17.8 67 67 A K - 0 0 128 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.372 54.7-157.8 -17.3 142.5 31.2 -16.2 -17.4 68 68 A M + 0 0 101 -6,-0.1 -5,-0.3 -7,-0.0 -6,-0.1 0.651 57.1 112.1-100.6 -24.2 30.7 -14.3 -14.1 69 69 A K S S- 0 0 57 1,-0.1 2,-0.3 -6,-0.0 -6,-0.1 0.696 72.7 -94.8 -17.5-125.5 31.7 -10.9 -15.4 70 70 A V - 0 0 16 -8,-0.1 2,-0.3 -10,-0.0 -1,-0.1 -0.878 27.0-117.9-153.2-175.2 28.8 -8.4 -15.5 71 71 A S > - 0 0 30 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.898 33.3-102.4-133.4 163.0 26.1 -7.1 -17.9 72 72 A L H > S+ 0 0 48 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.923 126.5 47.5 -47.2 -46.6 25.3 -3.7 -19.3 73 73 A V H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 111.4 48.3 -61.0 -47.6 22.5 -3.6 -16.8 74 74 A L H > S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.879 106.3 57.3 -64.2 -39.8 24.6 -4.6 -13.8 75 75 A V H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.939 105.6 50.7 -58.2 -45.8 27.3 -2.1 -14.6 76 76 A H H X S+ 0 0 20 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.930 113.0 45.7 -57.1 -45.9 24.7 0.6 -14.4 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.897 111.9 51.8 -64.0 -40.9 23.6 -0.6 -11.0 78 78 A Q H X S+ 0 0 16 -4,-3.2 4,-3.9 1,-0.2 5,-0.3 0.889 104.9 57.5 -62.6 -40.0 27.2 -1.0 -9.8 79 79 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.3 40.9 -57.1 -48.4 27.9 2.5 -10.9 80 80 A H H X S+ 0 0 18 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.932 119.2 45.2 -66.6 -46.6 25.1 3.9 -8.6 81 81 A L H X S+ 0 0 13 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.915 114.4 48.0 -63.5 -45.2 26.0 1.5 -5.7 82 82 A M H X S+ 0 0 24 -4,-3.9 4,-2.4 2,-0.2 5,-0.2 0.924 114.9 46.1 -62.6 -43.8 29.7 2.1 -6.0 83 83 A T H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.930 115.3 46.4 -63.4 -47.4 29.2 5.9 -6.1 84 84 A S H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.927 113.4 47.9 -62.2 -48.0 26.8 5.8 -3.2 85 85 A M H X S+ 0 0 56 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.928 115.1 45.7 -59.9 -45.9 28.9 3.5 -1.0 86 86 A L H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.932 113.5 49.6 -62.7 -46.1 32.0 5.6 -1.7 87 87 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.933 112.4 47.9 -56.6 -49.5 30.1 8.8 -1.0 88 88 A R H X S+ 0 0 21 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.914 111.6 49.4 -61.0 -44.7 28.7 7.5 2.2 89 89 A E H X S+ 0 0 48 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.932 114.8 44.4 -61.5 -45.6 32.1 6.3 3.4 90 90 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.916 111.3 53.5 -65.2 -41.5 33.7 9.6 2.6 91 91 A I H X S+ 0 0 2 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.2 0.906 105.0 55.6 -59.7 -39.6 30.8 11.4 4.2 92 92 A T H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 108.4 47.5 -57.5 -45.4 31.3 9.3 7.3 93 93 A E H X S+ 0 0 23 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.907 110.3 52.5 -61.5 -43.0 34.9 10.6 7.4 94 94 A L H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 108.5 50.6 -60.8 -42.2 33.7 14.1 6.9 95 95 A I H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.915 106.4 54.4 -62.5 -42.9 31.3 13.8 9.8 96 96 A E H X S+ 0 0 70 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.893 105.5 54.3 -58.3 -38.8 34.1 12.4 12.1 97 97 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.909 103.6 54.8 -62.2 -41.3 36.1 15.6 11.3 98 98 A H H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.894 107.2 51.4 -58.7 -39.2 33.2 17.8 12.4 99 99 A E H < S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 109.1 49.5 -64.6 -41.9 33.3 15.9 15.7 100 100 A K H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 107.0 56.0 -65.2 -36.1 37.0 16.6 16.1 101 101 A L H < S- 0 0 48 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.926 115.3-117.2 -62.2 -43.1 36.5 20.3 15.3 102 102 A K < 0 0 161 -4,-1.9 -1,-0.1 -5,-0.1 -4,-0.0 -0.780 360.0 360.0 147.9 -96.5 33.9 20.6 18.2 103 103 A A 0 0 90 -2,-0.3 -1,-0.1 -3,-0.1 -69,-0.1 0.671 360.0 360.0 16.3 360.0 30.3 21.5 17.4 104 !* 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 0.0 105 1 B A >> 0 0 58 0, 0.0 4,-4.8 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 174.6 38.4 -13.1 -22.2 106 2 B E H >5 + 0 0 161 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.808 360.0 9.7 -25.4 -89.4 41.5 -15.1 -21.2 107 3 B E H >5S+ 0 0 143 2,-0.2 4,-5.0 1,-0.2 5,-0.4 0.973 130.7 54.2 -62.8 -59.5 43.9 -12.3 -20.3 108 4 B L H >5S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.861 113.6 44.8 -44.2 -42.5 41.4 -9.4 -20.5 109 5 B E H X5S+ 0 0 59 -4,-4.8 4,-1.7 2,-0.2 -1,-0.2 0.932 118.5 41.3 -69.5 -45.9 39.3 -11.3 -18.0 110 6 B E H XS+ 0 0 57 -4,-2.2 5,-2.7 1,-0.2 3,-0.3 0.906 105.6 53.5 -58.8 -42.0 47.5 6.6 10.4 133 29 B A H ><5S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.902 103.7 55.6 -60.6 -41.4 46.6 10.3 10.3 134 30 B K H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.8 53.2 -61.0 -32.0 44.0 9.8 12.9 135 31 B Q T 3<5S- 0 0 126 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.507 124.8-108.3 -81.0 -1.7 46.7 8.3 15.2 136 32 B G T < 5S+ 0 0 24 -3,-1.8 2,-1.0 -4,-0.3 -3,-0.2 0.668 77.6 135.9 84.4 18.5 48.7 11.5 14.5 137 33 B D >< + 0 0 75 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.699 16.6 162.7-101.2 81.7 51.2 9.6 12.3 138 34 B F H > S+ 0 0 47 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.838 73.7 58.4 -66.6 -33.8 51.7 12.0 9.3 139 35 B A H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 109.8 41.4 -62.0 -49.7 54.9 10.3 8.3 140 36 B A H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 113.2 55.1 -66.8 -36.8 53.2 6.9 7.8 141 37 B A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.962 109.1 46.8 -60.2 -50.1 50.2 8.5 6.2 142 38 B K H X S+ 0 0 147 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 112.8 49.4 -57.7 -45.1 52.4 10.2 3.6 143 39 B A H X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.6 47.5 -61.8 -43.2 54.3 6.9 2.9 144 40 B M H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 111.8 50.5 -65.1 -41.2 51.0 5.0 2.5 145 41 B M H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 108.7 51.8 -62.5 -43.4 49.6 7.7 0.2 146 42 B D H X S+ 0 0 103 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.928 112.9 44.4 -60.4 -45.8 52.7 7.6 -2.0 147 43 B Q H X S+ 0 0 119 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.893 110.1 56.0 -65.9 -39.6 52.5 3.9 -2.3 148 44 B S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 108.2 48.0 -57.7 -46.3 48.7 4.1 -2.9 149 45 B R H X S+ 0 0 141 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.896 108.7 53.3 -61.9 -42.8 49.3 6.4 -5.8 150 46 B M H X S+ 0 0 134 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.908 108.3 50.7 -60.9 -40.5 52.0 4.3 -7.4 151 47 B A H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 113.9 44.8 -62.0 -43.6 49.6 1.3 -7.3 152 48 B L H X S+ 0 0 13 -4,-2.0 4,-3.7 2,-0.2 5,-0.2 0.881 109.9 55.0 -66.6 -41.7 47.0 3.4 -9.0 153 49 B N H X S+ 0 0 86 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.925 110.5 45.2 -60.5 -44.2 49.4 4.8 -11.5 154 50 B E H X S+ 0 0 125 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.904 115.3 48.3 -65.6 -40.0 50.5 1.3 -12.6 155 51 B A H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 111.7 48.9 -65.2 -45.6 46.8 0.2 -12.7 156 52 B H H X S+ 0 0 94 -4,-3.7 4,-2.6 1,-0.2 -2,-0.2 0.884 108.1 55.2 -61.4 -39.6 45.9 3.3 -14.8 157 53 B L H X S+ 0 0 104 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111.3 48.6 -61.1 -47.5 34.8 -5.4 -19.6 178 74 B L H > S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.879 106.1 57.3 -64.1 -39.7 36.8 -2.1 -19.7 179 75 B V H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.939 105.6 50.7 -58.2 -46.0 33.9 -0.1 -18.3 180 76 B H H X S+ 0 0 21 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.930 113.0 45.6 -57.1 -45.9 33.8 -2.4 -15.3 181 77 B A H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.897 111.8 51.9 -64.1 -40.8 37.6 -1.9 -14.8 182 78 B Q H X S+ 0 0 15 -4,-3.2 4,-3.9 1,-0.2 5,-0.3 0.890 104.9 57.5 -62.6 -40.0 37.3 1.8 -15.3 183 79 B L H X S+ 0 0 3 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.3 40.9 -57.2 -48.4 34.5 1.9 -12.6 184 80 B H H X S+ 0 0 18 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.932 119.2 45.2 -66.5 -46.7 36.8 0.4 -10.0 185 81 B L H X S+ 0 0 13 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.916 114.4 47.9 -63.5 -45.2 39.8 2.4 -11.1 186 82 B M H X S+ 0 0 25 -4,-3.9 4,-2.4 2,-0.2 5,-0.2 0.924 115.0 46.1 -62.6 -43.8 37.9 5.7 -11.3 187 83 B T H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.929 115.3 46.3 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1.0 198 94 B L H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 108.4 50.7 -60.8 -42.3 41.1 14.6 4.1 199 95 B I H X S+ 0 0 11 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.915 106.4 54.3 -62.5 -42.9 44.5 13.7 5.5 200 96 B E H X S+ 0 0 73 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.893 105.5 54.3 -58.5 -38.9 45.8 17.2 4.7 201 97 B L H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.910 103.6 54.9 -62.1 -41.3 42.9 18.6 6.8 202 98 B H H X S+ 0 0 8 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.897 107.1 51.5 -58.5 -39.4 44.0 16.4 9.8 203 99 B E H < S+ 0 0 99 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 109.3 49.0 -64.4 -42.0 47.4 17.9 9.5 204 100 B K H < S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 106.6 57.0 -65.4 -35.7 45.9 21.5 9.6 205 101 B L H < S- 0 0 45 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.899 114.8-118.5 -61.8 -40.8 43.8 20.5 12.6 206 102 B K < 0 0 154 -4,-1.7 -1,-0.1 1,-0.2 -4,-0.0 -0.843 360.0 360.0 144.1 -99.7 47.0 19.5 14.6 207 103 B A 0 0 92 -2,-0.3 -1,-0.2 -3,-0.1 -69,-0.1 0.676 360.0 360.0 16.2 360.0 47.4 15.9 15.8 208 !* 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 0.0 209 1 C A >> 0 0 57 0, 0.0 4,-4.8 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 174.5 28.5 6.9 -33.2 210 2 C E H >5 + 0 0 160 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.806 360.0 9.7 -25.2 -89.4 29.0 10.2 -35.1 211 3 C E H >5S+ 0 0 143 2,-0.2 4,-5.0 1,-0.2 5,-0.3 0.973 130.7 54.2 -62.9 -59.4 27.4 12.6 -32.7 212 4 C L H >5S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.863 113.6 44.9 -44.3 -42.5 27.0 10.3 -29.8 213 5 C E H X5S+ 0 0 56 -4,-4.8 4,-1.7 2,-0.2 -1,-0.2 0.932 118.5 41.3 -69.4 -45.9 30.7 9.5 -29.9 214 6 C E H XS+ 0 0 56 -4,-2.2 5,-2.7 1,-0.2 3,-0.3 0.906 105.6 53.5 -58.8 -41.9 41.9 28.7 -3.5 237 29 C A H ><5S+ 0 0 1 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.901 103.6 55.6 -60.6 -41.4 40.4 27.8 -0.2 238 30 C K H 3<5S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.7 53.2 -61.0 -31.9 43.8 26.6 1.0 239 31 C Q T 3<5S- 0 0 128 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.505 124.8-108.2 -81.1 -1.5 45.2 30.0 0.1 240 32 C G T < 5S+ 0 0 26 -3,-1.9 2,-1.0 -4,-0.3 -3,-0.2 0.668 77.8 135.9 84.4 18.5 42.4 31.5 2.3 241 33 C D >< + 0 0 75 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.696 16.5 162.5-101.2 81.5 40.5 32.8 -0.7 242 34 C F H > S+ 0 0 47 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.838 73.7 58.3 -66.5 -33.9 36.9 31.8 0.1 243 35 C A H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 109.8 41.5 -62.1 -49.8 35.5 34.3 -2.5 244 36 C A H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 113.2 55.2 -66.5 -36.7 37.4 32.7 -5.4 245 37 C A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.961 109.1 46.9 -60.2 -49.9 36.6 29.3 -4.1 246 38 C K H X S+ 0 0 147 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.906 112.8 49.4 -57.9 -45.1 32.8 30.1 -4.1 247 39 C A H X S+ 0 0 52 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.917 112.5 47.6 -61.9 -43.0 33.1 31.6 -7.6 248 40 C M H X S+ 0 0 43 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 111.8 50.3 -65.3 -41.0 34.9 28.5 -8.9 249 41 C M H X S+ 0 0 25 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.906 108.6 52.0 -63.1 -43.1 32.4 26.2 -7.2 250 42 C D H X S+ 0 0 104 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.929 113.0 44.3 -60.2 -45.9 29.5 28.0 -8.8 251 43 C Q H X S+ 0 0 113 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.892 110.1 56.1 -65.9 -39.6 31.0 27.7 -12.2 252 44 C S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 108.2 47.9 -57.7 -46.4 31.9 24.1 -11.7 253 45 C R H X S+ 0 0 142 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.896 108.7 53.4 -61.9 -42.8 28.3 23.3 -10.9 254 46 C M H X S+ 0 0 130 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.908 108.2 50.8 -60.9 -40.5 27.0 25.1 -13.9 255 47 C A H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 113.8 44.8 -61.9 -43.5 29.3 23.1 -16.1 256 48 C L H X S+ 0 0 13 -4,-2.0 4,-3.7 2,-0.2 5,-0.2 0.880 109.8 55.2 -66.4 -41.7 28.1 19.9 -14.5 257 49 C N H X S+ 0 0 84 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.925 110.5 45.0 -60.5 -44.3 24.4 21.0 -14.8 258 50 C E H X S+ 0 0 127 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 115.4 48.4 -65.7 -40.0 24.8 21.6 -18.5 259 51 C A H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.8 48.8 -65.1 -45.7 26.6 18.3 -18.9 260 52 C H H X S+ 0 0 90 -4,-3.7 4,-2.6 1,-0.2 -2,-0.2 0.883 108.2 55.1 -61.3 -39.6 24.0 16.4 -16.8 261 53 C L H X S+ 0 0 104 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.912 108.2 48.2 -61.3 -42.5 21.2 18.0 -18.9 262 54 C V H X S+ 0 0 55 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.920 111.8 49.3 -64.1 -43.7 22.8 16.7 -22.1 263 55 C Q H X S+ 0 0 6 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.895 106.8 56.6 -62.6 -40.2 23.2 13.2 -20.6 264 56 C T H X S+ 0 0 49 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.931 106.6 49.1 -57.8 -45.5 19.5 13.3 -19.5 265 57 C K H X S+ 0 0 167 -4,-1.9 4,-3.7 2,-0.2 5,-0.3 0.918 113.1 48.8 -60.1 -41.2 18.4 13.9 -23.1 266 58 C L H X S+ 0 0 25 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.995 113.7 43.7 -61.2 -61.3 20.6 11.0 -24.1 267 59 C I H < S+ 0 0 40 -4,-3.4 4,-0.3 1,-0.2 -2,-0.2 0.849 124.3 37.4 -53.1 -39.3 19.3 8.6 -21.4 268 60 C E H < S+ 0 0 166 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.924 132.6 24.7 -80.0 -48.8 15.7 9.7 -22.1 269 61 C G H < S+ 0 0 65 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.2 0.376 106.4 84.3 -98.8 3.8 15.8 10.2 -25.9 270 62 C D < + 0 0 38 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.978 62.3 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