==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 25-MAY-11 3AZH . COMPND 2 MOLECULE: HISTONE H3.1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.IWASAKI,H.TACHIWANA,K.KAWAGUCHI,T.SHIBATA,W.KAGAWA,H.KURUM . 755 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.0 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 . 1 0.1 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 . 20 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 0 0 3 5 8 0 2 0 0 0 0 1 0 1 0 0 0 0 0 3 2 3 0 0 RESIDUES PER ALPHA HELIX . 0 10 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 . 10 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 38 A P 0 0 191 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.9 -59.4 -28.7 80.0 2 39 A H + 0 0 160 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.874 360.0 172.7-107.6 134.8 -56.6 -30.4 78.0 3 40 A R - 0 0 218 -2,-0.5 2,-0.3 0, 0.0 0, 0.0 -0.971 23.0-131.7-137.5 148.2 -53.2 -28.9 77.5 4 41 A Y - 0 0 122 -2,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.789 32.0-100.2-104.6 146.1 -49.9 -30.2 76.0 5 42 A R >> - 0 0 196 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.164 55.2 -85.7 -53.9 151.0 -46.5 -29.9 77.5 6 43 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.404 117.7 26.6 -62.9 139.4 -44.4 -27.1 76.0 7 44 A G T 3> S+ 0 0 27 -3,-0.1 4,-1.8 111,-0.1 5,-0.1 0.319 94.6 96.3 93.3 -8.4 -42.7 -28.3 72.9 8 45 A T H <> S+ 0 0 57 -3,-1.9 4,-1.7 2,-0.2 5,-0.1 0.911 89.7 40.2 -78.9 -46.6 -45.2 -31.1 72.0 9 46 A V H X S+ 0 0 58 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.789 113.6 61.0 -69.0 -26.9 -47.2 -29.1 69.5 10 47 A A H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.944 104.8 43.4 -64.2 -51.8 -43.8 -27.8 68.5 11 48 A L H X S+ 0 0 11 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.850 114.0 53.7 -63.3 -34.1 -42.5 -31.3 67.5 12 49 A R H X S+ 0 0 116 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.967 104.7 52.2 -63.7 -52.7 -45.8 -31.9 65.8 13 50 A E H X S+ 0 0 42 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.850 110.7 51.2 -51.8 -36.6 -45.6 -28.7 63.7 14 51 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.4 0.996 109.5 46.0 -63.9 -63.6 -42.2 -29.9 62.6 15 52 A R H < S+ 0 0 114 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.850 118.6 47.8 -47.2 -35.4 -43.3 -33.4 61.6 16 53 A R H >X S+ 0 0 142 -4,-2.9 4,-1.6 -5,-0.2 3,-0.6 0.950 113.9 40.3 -74.4 -51.1 -46.2 -31.6 59.9 17 54 A Y H 3< S+ 0 0 26 -4,-3.3 641,-0.3 1,-0.2 -2,-0.2 0.702 107.9 60.8 -74.2 -19.3 -44.3 -28.8 58.0 18 55 A Q T 3< S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 640,-0.2 0.730 108.8 48.0 -76.3 -18.9 -41.5 -31.0 56.9 19 56 A K T <4 S+ 0 0 136 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.886 102.4 69.1 -85.5 -44.4 -44.1 -33.0 55.1 20 57 A S < - 0 0 25 -4,-1.6 638,-0.4 1,-0.1 636,-0.0 -0.303 57.8-165.7 -74.0 159.0 -46.0 -30.2 53.4 21 58 A T + 0 0 32 636,-0.1 636,-0.3 634,-0.1 634,-0.2 0.357 44.8 120.6-127.4 2.6 -44.4 -28.2 50.5 22 59 A E S S- 0 0 84 1,-0.1 -2,-0.0 634,-0.1 634,-0.0 -0.357 76.9 -90.7 -68.4 150.8 -46.6 -25.2 50.2 23 60 A L - 0 0 31 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.310 32.5-151.5 -58.8 145.0 -45.0 -21.8 50.6 24 61 A L + 0 0 4 -3,-0.1 2,-0.4 2,-0.1 86,-0.2 0.406 68.5 78.0-103.5 0.6 -45.2 -20.7 54.3 25 62 A I S S- 0 0 7 85,-0.1 2,-0.3 78,-0.0 78,-0.1 -0.896 91.2-102.8-110.1 143.7 -45.2 -16.9 53.9 26 63 A R > - 0 0 85 -2,-0.4 4,-2.0 76,-0.2 5,-0.2 -0.481 27.9-139.7 -66.4 126.0 -48.4 -15.0 52.9 27 64 A K H > S+ 0 0 103 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.849 94.6 53.1 -55.0 -44.9 -48.1 -14.1 49.2 28 65 A L H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.981 110.3 44.8 -58.9 -60.1 -49.6 -10.6 49.5 29 66 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.915 117.3 48.5 -47.1 -50.5 -47.3 -9.3 52.2 30 67 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.972 108.9 50.2 -54.3 -63.1 -44.3 -10.8 50.4 31 68 A Q H X S+ 0 0 63 -4,-3.4 4,-2.3 1,-0.3 -1,-0.2 0.861 111.3 51.3 -45.7 -40.8 -45.3 -9.4 47.0 32 69 A R H X S+ 0 0 108 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.3 0.927 109.9 48.7 -63.5 -45.7 -45.5 -6.0 48.7 33 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -3,-0.3 5,-0.2 0.914 111.0 51.2 -59.9 -45.3 -42.1 -6.4 50.2 34 71 A V H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.954 110.9 45.6 -56.6 -58.2 -40.6 -7.4 46.9 35 72 A R H X S+ 0 0 92 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 114.1 51.0 -55.5 -41.7 -42.0 -4.5 44.9 36 73 A E H X S+ 0 0 72 -4,-2.3 4,-0.6 2,-0.2 3,-0.2 0.975 112.7 43.4 -59.9 -58.2 -40.9 -2.1 47.7 37 74 A I H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.930 115.8 51.2 -52.4 -47.5 -37.3 -3.5 47.9 38 75 A A H >X S+ 0 0 1 -4,-3.4 3,-2.7 1,-0.3 4,-1.2 0.838 96.1 68.2 -59.9 -38.0 -37.3 -3.4 44.1 39 76 A Q H 3< S+ 0 0 80 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.653 89.6 64.5 -59.8 -16.2 -38.5 0.1 43.8 40 77 A D T << S+ 0 0 121 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.577 106.5 45.2 -83.0 -6.4 -35.2 1.3 45.3 41 78 A F T <4 S- 0 0 61 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.719 131.1 -5.9-106.6 -28.0 -33.6 -0.1 42.1 42 79 A K S < S- 0 0 82 -4,-1.2 -1,-0.4 111,-0.0 3,-0.2 -0.826 75.5-119.8-169.5 128.1 -35.8 1.1 39.3 43 80 A T S S+ 0 0 92 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.459 83.3 13.4 -80.9 146.8 -39.0 3.0 39.5 44 81 A D S S+ 0 0 98 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.988 81.1 169.6 55.9 69.3 -42.4 1.9 38.2 45 82 A L - 0 0 21 -3,-0.2 2,-0.4 -10,-0.1 109,-0.2 -0.795 27.0-142.2-108.8 152.0 -41.6 -1.7 37.5 46 83 A R E -a 154 0A 167 107,-2.7 109,-4.1 -2,-0.3 2,-0.4 -0.884 14.0-147.1-112.1 147.1 -43.9 -4.5 36.6 47 84 A F E -a 155 0A 21 -2,-0.4 2,-0.2 107,-0.2 109,-0.2 -0.956 15.7-124.9-119.2 131.1 -43.4 -8.1 37.9 48 85 A Q >> - 0 0 82 107,-2.8 4,-1.7 -2,-0.4 3,-1.0 -0.529 26.9-127.5 -66.8 131.8 -44.3 -11.3 36.1 49 86 A S H 3> S+ 0 0 97 1,-0.3 4,-1.4 -2,-0.2 3,-0.3 0.915 113.4 49.6 -47.5 -45.6 -46.6 -13.1 38.6 50 87 A S H 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.731 100.9 62.3 -65.8 -27.9 -44.2 -16.1 38.1 51 88 A A H <> S+ 0 0 0 -3,-1.0 4,-2.2 104,-0.2 -1,-0.2 0.885 105.0 47.9 -66.1 -39.5 -41.2 -13.9 38.8 52 89 A V H X S+ 0 0 4 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.867 108.3 54.6 -68.7 -37.4 -42.5 -13.2 42.3 53 90 A M H X S+ 0 0 48 -4,-1.4 4,-3.3 2,-0.2 5,-0.2 0.931 106.9 51.3 -61.2 -44.9 -43.2 -16.9 42.8 54 91 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.967 110.1 50.0 -54.1 -55.4 -39.5 -17.7 41.9 55 92 A L H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.899 113.4 44.9 -51.2 -47.1 -38.5 -15.1 44.5 56 93 A Q H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.907 113.6 48.6 -68.1 -41.2 -40.7 -16.6 47.2 57 94 A E H X S+ 0 0 20 -4,-3.3 4,-3.3 2,-0.2 5,-0.3 0.988 117.3 42.9 -57.6 -56.9 -39.7 -20.1 46.5 58 95 A A H X S+ 0 0 1 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.873 116.8 47.7 -53.7 -46.6 -36.0 -19.1 46.5 59 96 A C H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.974 116.1 40.8 -63.2 -57.9 -36.5 -16.9 49.5 60 97 A E H X S+ 0 0 3 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.927 113.8 53.6 -58.2 -46.6 -38.4 -19.4 51.6 61 98 A A H X S+ 0 0 38 -4,-3.3 4,-2.2 -5,-0.4 -1,-0.2 0.905 109.9 51.0 -54.0 -43.1 -36.2 -22.3 50.5 62 99 A Y H X S+ 0 0 11 -4,-2.1 4,-3.2 -5,-0.3 -2,-0.2 0.964 112.2 43.1 -58.1 -58.6 -33.2 -20.2 51.6 63 100 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.898 111.4 55.0 -56.0 -45.0 -34.6 -19.4 55.1 64 101 A V H X S+ 0 0 6 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.937 113.3 43.4 -54.7 -47.1 -35.7 -23.0 55.6 65 102 A G H X S+ 0 0 20 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.934 111.6 52.4 -64.7 -47.1 -32.2 -24.0 54.9 66 103 A L H X S+ 0 0 7 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.854 106.6 54.9 -58.9 -34.8 -30.6 -21.3 57.0 67 104 A F H X S+ 0 0 4 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.927 103.7 55.5 -65.1 -40.9 -32.7 -22.4 59.9 68 105 A E H X S+ 0 0 63 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.928 110.9 42.9 -54.3 -52.7 -31.4 -25.9 59.6 69 106 A D H X S+ 0 0 20 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.895 112.0 56.1 -60.4 -42.4 -27.8 -24.8 59.9 70 107 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.921 105.4 51.2 -56.5 -46.0 -28.8 -22.5 62.7 71 108 A N H X S+ 0 0 5 -4,-2.7 4,-3.7 1,-0.2 5,-0.4 0.968 106.5 53.1 -58.1 -54.1 -30.3 -25.4 64.6 72 109 A L H X S+ 0 0 28 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.855 111.9 47.5 -48.3 -39.5 -27.1 -27.4 64.3 73 110 A C H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.933 112.7 47.3 -67.5 -49.4 -25.2 -24.4 65.7 74 111 A A H <>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 3,-0.4 0.940 113.9 47.6 -58.5 -48.8 -27.7 -23.9 68.6 75 112 A I H ><5S+ 0 0 26 -4,-3.7 3,-2.5 1,-0.3 -1,-0.2 0.922 107.0 57.4 -59.0 -40.8 -27.6 -27.6 69.3 76 113 A H H 3<5S+ 0 0 21 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.862 101.8 56.1 -57.4 -34.3 -23.8 -27.4 69.1 77 114 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.196 124.5-111.6 -82.0 16.0 -24.1 -24.8 71.8 78 115 A K T < 5S+ 0 0 164 -3,-2.5 -3,-0.2 1,-0.2 2,-0.2 0.856 80.2 121.6 55.0 39.2 -25.9 -27.4 73.8 79 116 A R < - 0 0 52 -5,-1.9 -1,-0.2 -8,-0.2 3,-0.1 -0.622 55.7-156.2-118.4 177.8 -29.2 -25.5 73.5 80 117 A V S S+ 0 0 44 -2,-0.2 39,-1.4 -3,-0.1 2,-0.5 0.272 78.1 79.4-133.4 -4.6 -32.5 -26.4 72.1 81 118 A T E S-b 119 0B 21 -7,-0.2 2,-0.5 37,-0.1 39,-0.2 -0.912 77.4-134.7-109.0 129.8 -33.5 -22.8 71.5 82 119 A I E -b 120 0B 0 37,-2.0 39,-1.6 -2,-0.5 42,-0.2 -0.750 27.9-177.4 -89.0 128.3 -32.2 -21.0 68.5 83 120 A M >> - 0 0 55 -2,-0.5 4,-1.2 -13,-0.2 3,-1.1 -0.572 42.2 -97.3-112.6 176.7 -31.0 -17.5 69.3 84 121 A P H 3> S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.920 119.8 64.5 -61.1 -44.3 -29.5 -14.6 67.1 85 122 A Q H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.766 102.1 52.8 -50.5 -25.5 -26.0 -15.6 67.9 86 123 A D H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.938 107.3 45.7 -77.6 -51.1 -26.8 -18.9 66.0 87 124 A I H X S+ 0 0 3 -4,-1.2 4,-2.8 1,-0.2 5,-0.2 0.886 113.2 56.3 -57.9 -38.4 -28.1 -17.5 62.8 88 125 A Q H X S+ 0 0 84 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.979 109.5 40.4 -58.6 -62.6 -25.1 -15.1 62.9 89 126 A L H X S+ 0 0 16 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.930 114.0 54.3 -53.3 -50.7 -22.4 -17.8 63.2 90 127 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.955 112.9 43.1 -48.1 -56.6 -24.2 -20.0 60.6 91 128 A R H X>S+ 0 0 44 -4,-2.8 5,-1.8 1,-0.2 4,-0.7 0.958 113.9 52.6 -53.7 -55.1 -24.2 -17.1 58.2 92 129 A R H ><5S+ 0 0 79 -4,-3.2 3,-1.2 1,-0.2 5,-0.3 0.890 112.4 42.2 -47.4 -53.9 -20.6 -16.2 59.0 93 130 A I H 3<5S+ 0 0 9 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.902 108.0 61.9 -62.0 -40.8 -19.2 -19.7 58.4 94 131 A R H 3<5S- 0 0 57 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.637 115.9-121.5 -58.2 -17.0 -21.4 -19.9 55.3 95 132 A G T <<5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.849 77.3 127.0 76.4 34.2 -19.3 -16.9 54.2 96 133 A E < 0 0 69 -5,-1.8 -4,-0.2 -6,-0.1 -5,-0.1 0.518 360.0 360.0 -96.5 -9.4 -22.3 -14.7 53.7 97 134 A R 0 0 146 -6,-0.4 -5,-0.2 -5,-0.3 -4,-0.1 0.196 360.0 360.0-176.3 360.0 -20.7 -12.0 55.9 98 !* 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 99 25 B N > 0 0 82 0, 0.0 3,-3.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -44.2 -43.3 -3.4 55.5 100 26 B I G > + 0 0 29 1,-0.3 3,-1.3 2,-0.2 -67,-0.1 0.754 360.0 70.6 -56.2 -21.0 -40.6 -6.0 56.0 101 27 B Q G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -72,-0.0 4,-0.1 0.596 72.5 83.9 -70.7 -13.0 -42.9 -6.5 59.1 102 28 B G G < S+ 0 0 16 -3,-3.7 2,-1.1 -73,-0.2 -1,-0.3 0.887 72.9 82.0 -57.0 -36.2 -45.4 -7.9 56.7 103 29 B I S < S- 0 0 2 -3,-1.3 -1,-0.1 -4,-0.4 26,-0.1 -0.585 85.5-150.3 -71.9 101.9 -43.4 -11.1 57.2 104 30 B T > - 0 0 47 -2,-1.1 4,-3.0 1,-0.1 5,-0.2 -0.267 22.9-110.9 -82.7 164.5 -45.0 -12.2 60.4 105 31 B K H > S+ 0 0 108 1,-0.2 4,-4.4 2,-0.2 5,-0.2 0.937 116.2 50.9 -51.2 -57.6 -44.0 -14.2 63.5 106 32 B P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 113.0 46.3 -49.6 -48.1 -46.2 -17.2 62.7 107 33 B A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 115.8 44.8 -61.7 -48.3 -44.9 -17.4 59.1 108 34 B I H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.921 111.8 55.3 -60.5 -42.7 -41.3 -17.0 60.4 109 35 B R H X S+ 0 0 72 -4,-4.4 4,-1.8 -5,-0.2 -2,-0.2 0.903 107.2 49.3 -55.5 -46.1 -42.2 -19.6 63.0 110 36 B R H X S+ 0 0 48 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.884 105.9 54.8 -62.7 -45.1 -43.3 -22.1 60.3 111 37 B L H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.963 109.6 47.2 -53.1 -55.4 -40.2 -21.8 58.2 112 38 B A H X>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.3 4,-0.7 0.894 109.4 56.4 -51.1 -44.0 -38.0 -22.6 61.2 113 39 B R H ><5S+ 0 0 11 -4,-1.8 3,-1.0 1,-0.3 -1,-0.3 0.881 105.9 47.2 -57.1 -43.2 -40.4 -25.5 61.8 114 40 B R H 3<5S+ 0 0 11 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.743 108.3 60.7 -69.4 -21.4 -39.9 -26.9 58.3 115 41 B G H 3<5S- 0 0 8 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.3 0.650 122.6-109.3 -78.5 -17.3 -36.2 -26.3 59.2 116 42 B G T <<5 + 0 0 4 -3,-1.0 2,-0.4 -4,-0.7 547,-0.3 0.661 67.2 149.6 95.6 18.4 -36.5 -28.7 62.1 117 43 B V < - 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0 0 125 -5,-1.7 -1,-0.2 1,-0.1 -2,-0.1 -0.742 49.8-147.8-100.3 149.2 -7.6 -26.6 20.5 725 87 H S S S+ 0 0 62 -2,-0.3 -132,-2.2 -3,-0.1 -133,-0.7 0.369 70.3 64.8 -99.0 5.1 -10.5 -25.2 18.4 726 88 H T E -i 593 0I 25 -134,-0.2 2,-0.9 -135,-0.1 -132,-0.2 -0.971 64.5-141.3-140.4 129.4 -13.1 -28.0 18.5 727 89 H I E +i 594 0I 2 -134,-1.6 -132,-2.0 -2,-0.4 -129,-0.2 -0.710 35.4 173.6 -80.6 105.1 -15.2 -29.6 21.2 728 90 H T > - 0 0 38 -2,-0.9 4,-1.8 -134,-0.2 3,-0.2 -0.462 52.7 -89.4-105.5-179.0 -15.4 -33.3 20.4 729 91 H S H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.808 125.3 67.6 -60.2 -27.6 -16.8 -36.2 22.3 730 92 H R H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.984 103.3 43.3 -53.0 -58.3 -13.3 -36.5 23.9 731 93 H E H > S+ 0 0 0 -3,-0.2 4,-3.6 1,-0.2 5,-0.2 0.923 111.8 53.2 -50.6 -55.1 -14.0 -33.1 25.6 732 94 H I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.868 109.9 48.7 -51.3 -43.8 -17.6 -34.1 26.6 733 95 H Q H X S+ 0 0 54 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.961 115.2 40.9 -64.4 -54.9 -16.4 -37.3 28.2 734 96 H T H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 5,-0.2 0.940 114.7 56.4 -56.9 -44.9 -13.6 -35.8 30.3 735 97 H A H >X S+ 0 0 0 -4,-3.6 4,-1.4 -5,-0.3 3,-0.7 0.908 106.7 47.8 -53.1 -45.7 -16.1 -33.0 30.9 736 98 H V H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.3 0.898 107.1 57.5 -65.2 -36.2 -18.5 -35.5 32.3 737 99 H R H 3< S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.725 108.7 45.5 -67.2 -20.3 -15.8 -37.0 34.4 738 100 H L H << S+ 0 0 10 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.711 121.2 37.7 -92.4 -23.1 -15.1 -33.7 36.1 739 101 H L H < S+ 0 0 35 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.859 103.1 70.5 -94.5 -45.7 -18.8 -32.9 36.7 740 102 H L S < S- 0 0 9 -4,-3.0 2,-0.1 -5,-0.2 5,-0.1 -0.623 87.1-101.0 -90.4 139.1 -20.5 -36.2 37.6 741 103 H P >> - 0 0 19 0, 0.0 3,-1.9 0, 0.0 4,-1.9 -0.295 46.6 -98.1 -53.9 116.0 -20.0 -38.2 40.8 742 104 H G H 3> S+ 0 0 57 1,-0.3 4,-0.5 2,-0.2 -2,-0.1 0.417 120.9 28.3 -0.5 -55.6 -17.7 -41.2 40.5 743 105 H E H 3> S+ 0 0 102 2,-0.2 4,-1.0 1,-0.1 3,-0.4 0.842 119.0 54.0 -89.4 -38.5 -20.3 -43.8 40.0 744 106 H L H <> S+ 0 0 5 -3,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.821 107.1 57.5 -63.4 -28.1 -23.0 -41.6 38.4 745 107 H A H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.812 95.4 63.3 -72.3 -34.0 -20.3 -40.7 35.9 746 108 H K H >X S+ 0 0 102 -4,-0.5 4,-3.5 -3,-0.4 3,-0.7 0.988 108.9 37.0 -53.6 -69.9 -19.6 -44.3 34.8 747 109 H H H 3X S+ 0 0 80 -4,-1.0 4,-3.2 1,-0.3 5,-0.4 0.918 114.6 57.5 -49.8 -46.5 -22.9 -45.0 33.3 748 110 H A H 3X S+ 0 0 0 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.3 0.918 114.7 39.9 -50.5 -41.2 -23.0 -41.4 32.1 749 111 H V H X S+ 0 0 60 -4,-2.6 4,-2.6 2,-0.2 3,-1.0 0.961 118.8 48.3 -55.3 -52.8 -19.5 -44.2 24.3 754 116 H K H 3X S+ 0 0 128 -4,-3.4 4,-2.4 1,-0.3 5,-0.3 0.971 107.5 52.3 -50.0 -67.5 -22.3 -46.7 23.5 755 117 H A H 3X S+ 0 0 7 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.3 0.694 115.1 46.8 -45.9 -20.7 -24.7 -44.1 22.1 756 118 H V H