==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-FEB-99 1B9N . COMPND 2 MOLECULE: PROTEIN (MODE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.R.HALL,D.G.GOURLEY,W.N.HUNTER . 503 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 67.0 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 . 126 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 1 3 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 1 1 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 . 1 0 11 1 3 4 2 1 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 . 1 2 1 1 2 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 -2 A S 0 0 109 0, 0.0 100,-0.1 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 101.0 37.1 13.3 38.5 2 -1 A H + 0 0 86 100,-0.0 99,-0.0 2,-0.0 0, 0.0 0.680 360.0 32.5 -41.6 162.1 37.7 9.5 38.8 3 1 A M - 0 0 57 1,-0.1 2,-0.2 2,-0.0 98,-0.1 0.982 52.5-144.3 66.8 99.3 36.8 6.1 37.4 4 2 A Q - 0 0 113 1,-0.1 268,-0.4 94,-0.0 2,-0.3 -0.506 19.3-130.1 -82.4 126.5 36.0 5.6 33.8 5 3 A A - 0 0 3 89,-0.2 2,-0.6 -2,-0.2 266,-0.2 -0.715 13.3-126.8 -71.3 144.1 33.3 3.0 33.0 6 4 A E E -A 270 0A 90 264,-3.1 264,-2.2 -2,-0.3 2,-0.5 -0.826 28.4-144.2 -91.0 120.1 33.9 0.2 30.4 7 5 A I E -A 269 0A 27 -2,-0.6 2,-0.5 262,-0.2 262,-0.2 -0.804 19.3-177.1 -92.5 121.1 31.0 0.4 28.0 8 6 A L E -A 268 0A 42 260,-2.6 260,-2.7 -2,-0.5 2,-0.3 -0.856 9.4-175.9-120.1 110.4 29.6 -2.8 26.5 9 7 A L E -A 267 0A 0 -2,-0.5 2,-0.5 258,-0.2 258,-0.2 -0.681 12.7-165.9-110.2 141.9 26.8 -2.4 24.0 10 8 A T E -A 266 0A 28 256,-2.3 256,-2.8 -2,-0.3 2,-0.4 -0.957 7.0-159.5-120.5 123.5 24.7 -4.9 22.2 11 9 A L E -AB 265 19A 0 8,-3.4 7,-2.1 -2,-0.5 8,-1.8 -0.762 11.4-166.6 -92.3 138.0 22.6 -3.9 19.2 12 10 A K E -AB 264 17A 57 252,-3.3 252,-1.8 -2,-0.4 2,-0.4 -0.931 6.0-171.2-127.2 141.1 19.8 -6.3 18.4 13 11 A L E > S-AB 263 16A 12 3,-2.8 3,-2.0 -2,-0.4 250,-0.3 -0.990 73.1 -0.0-127.4 137.4 17.8 -6.3 15.1 14 12 A Q T 3 S- 0 0 61 248,-3.5 -1,-0.2 -2,-0.4 249,-0.1 0.939 131.7 -56.8 59.2 37.3 14.6 -8.4 14.5 15 13 A Q T 3 S+ 0 0 76 1,-0.2 2,-0.4 247,-0.1 -1,-0.3 0.658 118.6 109.6 70.9 9.0 14.9 -9.9 18.0 16 14 A K E < S-B 13 0A 112 -3,-2.0 -3,-2.8 44,-0.1 2,-0.4 -0.937 79.9 -99.2-123.8 159.7 18.4 -11.1 17.2 17 15 A L E +B 12 0A 58 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.474 44.8 165.9 -77.5 121.1 21.8 -10.2 18.3 18 16 A F E + 0 0 0 -7,-2.1 2,-0.4 -2,-0.4 -6,-0.2 0.824 62.0 2.9 -97.9 -67.0 23.3 -8.0 15.6 19 17 A A E +B 11 0A 0 -8,-1.8 -8,-3.4 4,-0.1 -1,-0.3 -0.973 63.6 159.8-134.4 131.9 26.4 -6.3 16.9 20 18 A D > - 0 0 27 -2,-0.4 4,-2.5 -10,-0.3 5,-0.3 -0.702 60.2 -78.4-132.2 178.6 28.1 -6.8 20.4 21 19 A P H > S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 128.7 50.6 -51.2 -49.7 31.7 -6.0 21.4 22 20 A R H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.890 112.7 46.3 -60.9 -46.4 33.2 -9.1 19.9 23 21 A R H > S+ 0 0 19 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 113.5 47.5 -67.4 -42.0 31.5 -8.5 16.5 24 22 A I H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.912 112.2 51.2 -61.6 -43.7 32.5 -4.8 16.4 25 23 A S H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.944 108.1 52.9 -58.4 -41.8 36.0 -5.8 17.4 26 24 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 109.7 47.8 -57.6 -53.2 36.0 -8.3 14.5 27 25 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.868 111.6 50.0 -60.5 -34.2 35.0 -5.6 12.0 28 26 A K H X S+ 0 0 73 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.884 111.2 48.7 -71.2 -39.8 37.7 -3.2 13.3 29 27 A H H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.3 6,-0.3 0.867 109.2 53.3 -69.1 -28.3 40.4 -5.9 13.0 30 28 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 5,-0.3 0.910 111.4 45.9 -62.7 -53.8 39.2 -6.6 9.5 31 29 A A H < S+ 0 0 51 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.8 45.3 -53.6 -43.9 39.6 -2.9 8.7 32 30 A L H < S+ 0 0 140 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.778 120.7 36.8 -71.0 -34.0 43.0 -2.8 10.4 33 31 A S H < S- 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.612 94.6-129.5 -94.9 -18.2 44.4 -6.0 8.8 34 32 A G S < S+ 0 0 35 -4,-1.8 39,-1.9 -5,-0.2 2,-0.3 0.587 77.8 72.4 76.4 6.9 43.0 -6.1 5.3 35 33 A S S > S- 0 0 30 -6,-0.3 4,-2.0 -5,-0.3 5,-0.2 -0.986 72.9-132.3-153.4 151.9 41.7 -9.6 5.6 36 34 A I H > S+ 0 0 17 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.931 109.5 46.0 -64.5 -52.5 38.9 -11.8 7.2 37 35 A S H > S+ 0 0 55 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.918 115.8 42.1 -65.5 -40.5 41.4 -14.4 8.3 38 36 A Q H > S+ 0 0 88 2,-0.2 4,-3.3 1,-0.1 5,-0.3 0.943 116.9 51.2 -69.6 -37.2 44.1 -12.1 9.8 39 37 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.930 108.7 49.4 -61.6 -38.3 41.3 -10.0 11.3 40 38 A A H X>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-0.6 0.923 113.4 47.7 -68.1 -39.9 39.5 -13.0 13.0 41 39 A K H ><5S+ 0 0 148 -4,-1.7 3,-1.7 1,-0.3 -2,-0.2 0.978 112.6 47.4 -68.3 -42.5 42.9 -14.1 14.4 42 40 A D H 3<5S+ 0 0 74 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.819 112.2 50.7 -62.1 -39.7 43.7 -10.6 15.6 43 41 A A H 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.563 117.2-117.1 -76.4 -7.2 40.2 -10.4 17.2 44 42 A G T <<5S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.6 -3,-0.2 0.964 75.4 115.6 84.4 29.4 40.7 -13.8 18.9 45 43 A I < - 0 0 27 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.988 67.8-101.6-133.1 153.1 38.0 -15.6 17.1 46 44 A S > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 3,-0.1 -0.305 30.1-114.5 -73.6 165.3 38.0 -18.5 14.6 47 45 A Y H > S+ 0 0 128 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.822 114.5 50.6 -61.1 -46.2 37.6 -18.1 10.9 48 46 A K H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.913 110.7 47.3 -65.4 -44.3 34.4 -19.9 10.8 49 47 A S H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.854 108.6 58.6 -69.8 -25.3 32.8 -17.9 13.6 50 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.958 111.2 38.6 -61.8 -50.7 34.1 -14.8 11.9 51 49 A W H X S+ 0 0 82 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.930 113.1 56.9 -71.1 -31.3 32.2 -15.6 8.6 52 50 A D H X S+ 0 0 77 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.921 109.9 46.5 -60.6 -43.2 29.2 -16.9 10.7 53 51 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.930 114.7 44.6 -62.6 -49.3 29.1 -13.4 12.3 54 52 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.933 111.7 52.9 -62.6 -44.8 29.5 -11.4 9.1 55 53 A N H X S+ 0 0 90 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.950 113.3 45.4 -58.4 -38.9 26.9 -13.5 7.2 56 54 A E H X S+ 0 0 53 -4,-1.7 4,-3.0 -5,-0.4 5,-0.2 0.922 111.3 49.9 -67.4 -38.6 24.5 -12.9 10.0 57 55 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 6,-0.3 0.876 111.6 49.7 -69.9 -38.2 25.1 -9.2 10.3 58 56 A N H X>S+ 0 0 25 -4,-2.6 4,-1.6 -5,-0.2 5,-1.1 0.946 111.8 48.4 -58.8 -47.0 24.6 -8.8 6.6 59 57 A Q H <5S+ 0 0 130 -4,-2.4 3,-0.5 -5,-0.3 -2,-0.2 0.965 115.0 43.6 -66.2 -42.5 21.3 -10.8 6.7 60 58 A L H <5S+ 0 0 5 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.768 118.6 41.6 -64.3 -42.2 19.9 -8.9 9.6 61 59 A S H <5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.540 98.9-131.8 -81.0 -17.2 20.9 -5.4 8.5 62 60 A E T <5S+ 0 0 141 -4,-1.6 2,-0.3 -3,-0.5 -3,-0.2 0.874 76.7 93.5 67.3 28.3 20.0 -6.0 4.8 63 61 A H S - 0 0 21 -11,-1.7 4,-2.4 -12,-0.2 5,-0.2 -0.428 35.5 -90.1 -84.5-177.7 31.9 -1.0 3.0 77 80 A R H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.849 132.5 48.6 -51.1 -49.8 30.4 2.4 3.7 78 81 A Y H > S+ 0 0 12 -14,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.912 107.2 53.0 -65.2 -39.3 27.8 0.6 5.9 79 82 A G H > S+ 0 0 0 -15,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.875 113.6 45.4 -59.7 -45.3 30.4 -1.5 7.8 80 83 A Q H X S+ 0 0 121 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.871 111.8 51.0 -64.1 -36.2 32.2 1.8 8.6 81 84 A R H X S+ 0 0 14 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.871 108.6 52.5 -72.0 -36.4 29.0 3.6 9.5 82 85 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.956 111.5 45.5 -67.7 -45.9 28.0 0.7 11.9 83 86 A I H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.887 114.7 48.8 -60.5 -41.0 31.4 1.0 13.7 84 87 A Q H X S+ 0 0 70 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.948 112.6 46.2 -62.8 -48.1 31.2 4.8 13.9 85 88 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.967 113.9 49.5 -64.9 -42.4 27.7 4.8 15.2 86 89 A Y H X S+ 0 0 11 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.964 112.8 45.9 -57.8 -48.8 28.5 2.1 17.8 87 90 A D H X S+ 0 0 52 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.884 113.7 48.7 -71.3 -25.5 31.6 3.8 19.0 88 91 A L H X S+ 0 0 21 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.852 111.8 51.0 -78.9 -36.7 29.8 7.3 19.3 89 92 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.884 110.2 47.5 -62.3 -51.4 27.0 5.6 21.1 90 93 A A H X S+ 0 0 17 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.851 109.9 54.5 -54.5 -50.4 29.4 4.0 23.6 91 94 A Q H X S+ 0 0 88 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.890 105.3 53.1 -55.2 -35.3 31.2 7.4 24.0 92 95 A I H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.974 109.6 48.3 -65.2 -39.2 27.8 9.0 24.9 93 96 A Q H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.902 109.8 52.4 -66.3 -36.6 27.2 6.4 27.6 94 97 A Q H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.886 111.8 45.5 -61.6 -47.0 30.7 6.9 29.0 95 98 A K H X S+ 0 0 71 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.862 111.4 52.7 -67.4 -35.8 30.1 10.7 29.2 96 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.936 107.4 53.1 -60.4 -39.3 26.7 10.1 30.8 97 100 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.923 105.5 52.8 -61.0 -50.4 28.5 7.8 33.4 98 101 A D H X S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.880 108.5 51.9 -53.5 -35.0 31.0 10.7 34.2 99 102 A V H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.899 109.1 48.9 -67.4 -41.8 27.9 12.8 34.8 100 103 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.953 114.9 45.4 -58.7 -44.7 26.4 10.2 37.2 101 104 A S H < S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.801 122.7 35.0 -69.6 -39.0 29.8 10.0 39.0 102 105 A D H < S- 0 0 91 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.673 103.4-142.3 -87.4 -24.6 30.3 13.9 39.2 103 106 A D < + 0 0 70 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.506 26.7 177.0 67.2 156.4 26.6 14.8 39.6 104 107 A D - 0 0 47 2,-0.2 119,-0.1 -4,-0.1 4,-0.1 -0.887 39.5-109.0-170.8 172.9 24.7 17.8 38.2 105 108 A A S S+ 0 0 36 117,-0.3 118,-0.1 -2,-0.3 3,-0.1 0.716 81.3 103.8 -99.3 -3.9 21.0 18.7 38.5 106 109 A L S S- 0 0 13 1,-0.1 -2,-0.2 7,-0.1 2,-0.1 -0.278 85.1-100.3 -67.9 144.8 19.9 18.0 34.9 107 110 A P > - 0 0 36 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.423 25.3-148.4 -52.6 136.8 17.9 14.8 34.4 108 111 A L T 3 S+ 0 0 0 1,-0.2 6,-0.1 -2,-0.1 234,-0.1 0.751 94.1 61.2 -90.5 -14.4 20.3 12.2 33.0 109 112 A N T 3 S+ 0 0 51 232,-0.1 2,-0.6 233,-0.1 -1,-0.2 0.575 82.0 104.7 -84.0 -11.4 17.5 10.6 31.0 110 113 A S <> - 0 0 7 -3,-0.6 4,-1.8 1,-0.2 5,-0.1 -0.698 56.3-158.6 -78.3 132.9 16.8 13.7 28.9 111 114 A L H > S+ 0 0 25 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.871 95.6 53.5 -67.8 -44.7 18.0 13.8 25.3 112 115 A L H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.918 108.4 51.0 -60.0 -44.9 18.0 17.6 25.2 113 116 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.889 108.9 51.2 -61.3 -32.5 20.2 17.7 28.4 114 117 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.4 0.918 111.7 47.4 -66.7 -46.1 22.7 15.2 26.7 115 118 A I H X>S+ 0 0 0 -4,-2.7 5,-3.6 1,-0.2 4,-2.1 0.928 113.1 49.1 -58.4 -46.8 22.8 17.5 23.7 116 119 A S H <5S+ 0 0 10 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 119.1 37.0 -60.7 -46.1 23.3 20.5 25.9 117 120 A R H <5S+ 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.866 130.6 25.6 -71.1 -44.4 26.1 18.9 28.0 118 121 A F H <5S+ 0 0 28 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.483 132.6 10.7-104.1 -18.5 28.0 16.9 25.3 119 122 A S T <5S+ 0 0 1 -4,-2.1 388,-1.7 -5,-0.4 2,-0.4 0.662 95.4 82.3-129.3 -50.9 27.4 18.5 21.9 120 123 A L E < +E 506 0C 4 -5,-3.6 2,-0.4 386,-0.2 386,-0.2 -0.558 44.2 169.9 -74.7 125.5 25.7 22.0 21.7 121 124 A Q E -E 505 0C 59 384,-3.0 384,-2.5 -2,-0.4 2,-0.3 -0.997 8.2-173.6-127.1 138.5 27.9 25.1 22.2 122 125 A T E > -E 504 0C 1 -2,-0.4 3,-1.3 382,-0.2 382,-0.2 -0.925 35.2-121.9-125.0 163.6 26.8 28.7 21.6 123 126 A S T 3 S+ 0 0 11 380,-2.7 285,-0.1 -2,-0.3 381,-0.1 0.752 100.7 77.7 -69.2 -17.1 28.3 32.2 21.6 124 127 A A T 3 S- 0 0 0 379,-0.3 57,-0.8 56,-0.1 -1,-0.3 0.562 84.9-146.7 -66.9 -20.3 25.9 33.3 24.2 125 128 A R S < S+ 0 0 86 -3,-1.3 2,-0.5 55,-0.1 -1,-0.1 0.461 74.6 85.8 73.0 -22.6 27.7 31.6 27.1 126 129 A N + 0 0 0 53,-0.3 53,-1.2 -2,-0.1 2,-0.2 -0.999 42.7 156.4-110.0 135.8 24.5 31.0 29.0 127 130 A Q E -J 178 0D 29 -2,-0.5 2,-0.5 98,-0.3 51,-0.2 -0.764 19.7-179.4-154.1 66.2 22.7 27.8 28.0 128 131 A W E -J 177 0D 3 49,-2.3 49,-2.9 -2,-0.2 2,-0.3 -0.872 22.6-132.9 -88.8 139.0 20.5 26.7 30.9 129 132 A F E +J 176 0D 5 -2,-0.5 20,-0.4 47,-0.2 2,-0.3 -0.578 42.4 140.5 -79.1 146.8 18.3 23.6 31.0 130 133 A G E -J 175 0D 0 45,-2.4 45,-2.3 -2,-0.3 2,-0.4 -0.870 40.9-116.2-170.2 178.3 14.7 24.1 32.2 131 134 A T E -JK 174 147D 38 16,-2.1 16,-2.7 -2,-0.3 43,-0.2 -0.997 32.1-105.7-127.4 140.0 11.1 23.0 31.6 132 135 A I E - 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0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.192 33.5-118.5 -65.4 156.3 17.1 -15.1 44.1 305 45 B Y H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 116.6 48.8 -54.7 -51.3 17.0 -12.9 47.2 306 46 B K H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 111.2 50.4 -59.1 -35.6 20.7 -13.6 47.9 307 47 B S H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 106.9 53.3 -72.6 -38.7 21.6 -12.8 44.4 308 48 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.955 112.0 47.0 -59.7 -40.9 19.6 -9.5 44.6 309 49 B W H X S+ 0 0 90 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.844 110.5 51.5 -66.9 -46.3 21.8 -8.8 47.7 310 50 B D H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.901 112.0 47.2 -56.4 -44.2 25.0 -9.8 46.0 311 51 B A H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.954 113.1 46.8 -61.4 -52.4 24.2 -7.5 43.1 312 52 B I H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.948 114.5 48.0 -56.7 -45.7 23.3 -4.5 45.3 313 53 B N H X S+ 0 0 84 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.865 112.6 48.2 -61.8 -38.4 26.5 -5.0 47.4 314 54 B E H X S+ 0 0 58 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.939 111.4 50.2 -69.6 -42.2 28.7 -5.3 44.4 315 55 B M H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 6,-0.4 0.897 111.6 48.8 -59.2 -46.2 27.2 -2.1 42.8 316 56 B N H X>S+ 0 0 30 -4,-2.4 4,-1.5 -5,-0.2 5,-0.6 0.946 115.5 43.8 -57.7 -51.5 27.7 -0.2 46.0 317 57 B Q H <5S+ 0 0 126 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.928 115.5 44.5 -62.2 -53.5 31.3 -1.3 46.3 318 58 B L H <5S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 122.7 38.0 -67.8 -35.9 32.4 -0.9 42.7 319 59 B S H <5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.592 98.4-135.6 -83.5 -20.3 30.7 2.5 42.4 320 60 B E T <5S+ 0 0 154 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.742 73.0 98.4 70.3 19.9 31.6 3.8 45.9 321 61 B H S - 0 0 17 -7,-2.0 4,-2.1 -2,-0.1 5,-0.1 -0.230 33.7 -97.3 -74.9-170.3 19.1 6.8 46.5 331 80 B R H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.870 128.5 54.9 -73.0 -45.9 19.5 9.6 44.0 332 81 B Y H > S+ 0 0 12 -10,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.929 108.9 49.1 -52.0 -43.9 22.6 7.9 42.6 333 82 B G H > S+ 0 0 0 -11,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.902 111.0 48.5 -63.0 -45.7 20.4 4.8 42.0 334 83 B Q H X S+ 0 0 97 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.808 111.1 49.3 -62.7 -45.9 17.7 6.8 40.3 335 84 B R H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.681 104.5 59.8 -69.9 -21.7 20.1 8.6 38.0 336 85 B L H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.978 108.4 44.7 -66.9 -48.2 21.7 5.2 37.1 337 86 B I H X S+ 0 0 20 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.935 110.0 56.0 -58.7 -40.1 18.3 4.2 35.8 338 87 B Q H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 102.8 55.0 -60.0 -38.3 18.1 7.6 34.1 339 88 B L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.909 111.1 44.5 -64.4 -33.2 21.3 6.8 32.3 340 89 B Y H X S+ 0 0 22 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.855 110.4 54.8 -69.0 -43.4 19.7 3.5 31.0 341 90 B D H X S+ 0 0 43 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.880 102.5 58.0 -59.5 -34.4 16.5 5.4 30.1 342 91 B L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 105.7 49.0 -59.5 -53.8 18.6 7.9 28.0 343 92 B L H X S+ 0 0 4 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.960 112.2 48.2 -49.9 -50.5 19.9 5.0 25.9 344 93 B A H < S+ 0 0 49 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.900 108.1 56.8 -64.4 -21.9 16.4 3.7 25.4 345 94 B Q H < S+ 0 0 116 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.903 116.8 33.2 -78.0 -32.9 15.2 7.3 24.5 346 95 B I H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.474 88.0 95.0-101.9 -4.7 17.7 7.5 21.7 347 96 B Q H X S+ 0 0 38 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.789 86.2 49.6 -58.1 -39.2 18.0 4.1 20.3 348 97 B Q H > S+ 0 0 92 -4,-0.3 4,-2.0 -3,-0.3 5,-0.2 0.958 111.6 49.8 -73.5 -34.5 15.4 4.5 17.5 349 98 B K H > S+ 0 0 79 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.875 111.3 50.0 -61.4 -47.0 17.0 7.7 16.4 350 99 B A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.930 110.8 48.2 -57.8 -43.4 20.4 5.9 16.4 351 100 B F H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.815 111.0 51.3 -66.7 -32.9 19.1 3.0 14.3 352 101 B D H X S+ 0 0 85 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.875 110.0 49.6 -72.2 -37.3 17.5 5.5 11.8 353 102 B V H >< S+ 0 0 20 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.926 112.0 49.2 -62.1 -41.6 20.8 7.3 11.5 354 103 B L H 3< S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 111.4 47.5 -66.5 -38.7 22.5 4.0 10.9 355 104 B S H 3< S+ 0 0 66 -4,-1.9 2,-1.4 -5,-0.1 -1,-0.2 0.460 79.7 115.7 -85.8 1.5 20.0 2.8 8.2 356 105 B D X< - 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