==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 06-AUG-12 4GGF . COMPND 2 MOLECULE: PROTEIN S100-A8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.DAMO,G.FRITZ . 789 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 72.1 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 . 17 2.2 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 . 2 0.3 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 . 29 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 8 0 0 0 4 0 0 12 0 0 0 0 0 8 1 7 0 0 0 0 0 0 0 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 . 7 1 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 . 1 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 M 0 0 194 0, 0.0 2,-0.0 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 138.8 11.4 49.0 -13.6 2 2 A L - 0 0 26 1,-0.1 130,-0.1 2,-0.1 2,-0.0 -0.334 360.0-104.0 -66.8 154.6 8.2 46.9 -13.5 3 3 A T > - 0 0 18 128,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.325 31.2-105.6 -72.0 165.7 4.9 48.6 -14.4 4 4 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 123.5 50.8 -61.4 -35.2 2.4 49.5 -11.7 5 5 A L H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 110.8 47.5 -67.5 -47.2 0.2 46.6 -12.8 6 6 A E H > S+ 0 0 0 125,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.906 111.2 51.0 -56.0 -45.3 3.1 44.2 -12.6 7 7 A K H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.868 106.8 56.1 -62.7 -36.2 4.1 45.5 -9.1 8 8 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.893 107.1 47.8 -60.1 -42.4 0.5 45.0 -8.0 9 9 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.930 112.7 48.1 -68.8 -40.1 0.6 41.4 -9.0 10 10 A N H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.860 107.7 56.9 -68.3 -32.8 3.9 40.9 -7.2 11 11 A S H X S+ 0 0 18 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.849 99.4 58.7 -62.2 -33.9 2.4 42.7 -4.2 12 12 A I H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.894 105.4 50.1 -60.2 -42.7 -0.4 40.1 -4.1 13 13 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.941 110.7 50.1 -58.9 -45.7 2.4 37.5 -3.7 14 14 A D H X S+ 0 0 82 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.913 106.3 54.5 -59.3 -44.8 3.8 39.6 -0.8 15 15 A V H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.920 107.8 50.1 -56.0 -45.3 0.5 39.9 0.9 16 16 A Y H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-1.5 0.923 108.9 51.9 -58.5 -47.1 0.1 36.1 0.9 17 17 A H H 3X S+ 0 0 10 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.800 94.1 70.5 -70.4 -24.8 3.6 35.6 2.4 18 18 A K H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.828 115.9 26.1 -55.4 -31.8 2.9 38.0 5.2 19 19 A Y H X< S+ 0 0 4 -3,-1.5 3,-1.1 -4,-0.7 4,-0.4 0.735 119.4 55.7 -99.9 -37.8 0.5 35.3 6.6 20 20 A S H 3< S+ 0 0 0 -4,-2.7 8,-0.5 1,-0.2 3,-0.4 0.834 105.0 54.1 -70.0 -29.4 2.1 32.1 5.1 21 21 A L T 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.397 83.3 91.8 -84.0 4.5 5.5 32.8 6.7 22 22 A I S < S- 0 0 76 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.959 101.1 -27.8 -62.2 -50.0 4.0 33.2 10.2 23 23 A K S S+ 0 0 80 -3,-0.4 5,-0.2 -4,-0.4 -1,-0.2 -0.966 103.5 7.9-158.4 168.3 4.5 29.5 11.1 24 24 A G S S+ 0 0 58 -2,-0.3 331,-0.1 -3,-0.1 2,-0.1 -0.172 109.9 18.6 60.3-136.9 4.8 26.0 9.9 25 25 A N S > S- 0 0 7 329,-0.7 3,-1.3 1,-0.1 -2,-0.2 -0.386 74.2-130.2 -72.8 134.2 5.0 25.4 6.2 26 26 A F T 3 S+ 0 0 15 1,-0.3 -1,-0.1 -2,-0.1 -6,-0.1 0.612 106.8 42.7 -63.8 -16.0 6.0 28.5 4.1 27 27 A H T 3 S+ 0 0 11 324,-0.2 2,-0.4 -6,-0.1 -1,-0.3 -0.343 96.4 98.8-121.3 47.7 3.1 28.1 1.7 28 28 A A < - 0 0 0 -3,-1.3 2,-0.7 -8,-0.5 -5,-0.3 -0.963 49.4-170.0-133.8 116.9 0.5 27.3 4.3 29 29 A V B -A 66 0A 0 37,-1.9 37,-2.4 -2,-0.4 -9,-0.1 -0.947 24.1-150.3-101.3 112.7 -1.9 29.8 5.7 30 30 A Y > - 0 0 37 -2,-0.7 4,-2.6 -11,-0.2 5,-0.2 -0.191 31.0 -90.6 -80.2 174.0 -3.6 28.0 8.6 31 31 A R H > S+ 0 0 141 33,-0.5 4,-1.6 1,-0.2 5,-0.1 0.880 127.8 43.0 -59.2 -39.8 -7.1 28.6 9.8 32 32 A D H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 112.1 53.9 -74.2 -35.1 -6.0 31.3 12.3 33 33 A D H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.863 107.8 51.1 -65.6 -36.3 -3.7 32.9 9.8 34 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.883 106.9 53.7 -70.0 -35.3 -6.6 33.2 7.3 35 35 A K H X S+ 0 0 107 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.945 111.2 45.7 -61.8 -43.8 -8.7 34.8 9.9 36 36 A K H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.890 111.9 53.0 -65.1 -38.6 -6.0 37.4 10.5 37 37 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.946 111.5 44.1 -62.0 -48.5 -5.6 37.8 6.7 38 38 A L H X S+ 0 0 4 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.901 113.4 50.5 -63.1 -42.2 -9.3 38.4 6.2 39 39 A E H < S+ 0 0 102 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.858 121.8 33.9 -63.9 -36.5 -9.6 40.8 9.1 40 40 A T H < S+ 0 0 75 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.839 128.9 28.2 -85.4 -39.3 -6.5 42.8 7.9 41 41 A E H < S+ 0 0 2 -4,-3.4 55,-0.4 -5,-0.2 -3,-0.2 0.578 105.5 68.8-107.2 -16.7 -6.7 42.7 4.1 42 42 A S S < S- 0 0 7 -4,-1.5 36,-0.0 -5,-0.4 53,-0.0 -0.813 75.2-113.0-116.8 152.0 -10.3 42.3 3.1 43 43 A P >> - 0 0 19 0, 0.0 4,-2.7 0, 0.0 3,-1.7 -0.242 37.8-100.2 -76.9 165.4 -13.4 44.6 3.2 44 44 A Q H 3> S+ 0 0 107 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.858 121.2 59.8 -55.4 -34.4 -16.4 44.0 5.5 45 45 A Y H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.735 112.3 39.7 -71.7 -19.4 -18.4 42.6 2.6 46 46 A I H X4 S+ 0 0 11 -3,-1.7 3,-1.2 2,-0.1 4,-0.3 0.855 115.5 51.5 -85.8 -45.2 -15.8 39.8 2.2 47 47 A R H >< S+ 0 0 100 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.860 95.5 71.0 -59.1 -36.2 -15.2 39.3 5.9 48 48 A K T 3< S+ 0 0 148 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.687 81.9 71.5 -62.0 -18.4 -19.0 38.9 6.6 49 49 A K T < S- 0 0 74 -3,-1.2 -1,-0.3 -5,-0.2 4,-0.2 0.806 113.5-110.6 -63.3 -29.2 -19.0 35.5 4.9 50 50 A G <> - 0 0 19 -3,-2.3 4,-2.6 -4,-0.3 5,-0.2 0.221 6.1-113.2 105.3 131.0 -17.0 34.2 7.9 51 51 A A H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.837 118.3 56.5 -62.7 -35.4 -13.4 33.1 8.2 52 52 A D H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 109.9 44.0 -59.7 -41.5 -14.7 29.5 8.9 53 53 A V H > S+ 0 0 57 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 114.2 49.8 -71.8 -47.2 -16.7 29.5 5.6 54 54 A W H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.930 110.9 50.3 -54.7 -47.1 -13.8 31.0 3.7 55 55 A F H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.954 111.4 47.0 -59.1 -44.9 -11.4 28.5 5.1 56 56 A K H < S+ 0 0 164 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.905 115.2 47.4 -66.2 -39.4 -13.6 25.5 4.2 57 57 A E H < S+ 0 0 70 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.854 116.1 42.2 -67.4 -39.4 -14.1 26.9 0.7 58 58 A L H < S+ 0 0 1 -4,-2.6 2,-2.0 -5,-0.2 9,-0.2 0.760 92.8 81.5 -83.4 -28.5 -10.5 27.7 -0.0 59 59 A D >< + 0 0 11 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 -0.517 57.3 170.3 -82.4 75.6 -8.9 24.5 1.5 60 60 A I T 3 S+ 0 0 11 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.766 74.7 41.3 -59.5 -35.3 -9.7 22.5 -1.7 61 61 A N T 3 S- 0 0 0 4,-0.2 -1,-0.3 -3,-0.2 305,-0.1 0.298 103.3-127.4-100.2 6.5 -7.7 19.4 -0.6 62 62 A T < + 0 0 86 -3,-1.5 301,-0.1 -6,-0.2 -2,-0.1 0.888 65.9 134.4 44.6 53.7 -8.8 19.5 3.0 63 63 A D S S- 0 0 22 2,-0.4 -1,-0.1 300,-0.1 3,-0.1 0.336 77.7-102.9-106.3 3.9 -5.2 19.4 4.2 64 64 A G S S+ 0 0 35 1,-0.2 -33,-0.5 -5,-0.1 2,-0.3 0.532 90.0 72.8 87.5 8.8 -5.6 22.2 6.8 65 65 A A S S- 0 0 1 -35,-0.1 2,-0.6 -34,-0.1 -2,-0.4 -0.973 71.1-125.0-148.0 160.8 -4.0 25.1 5.0 66 66 A V B -A 29 0A 0 -37,-2.4 -37,-1.9 -2,-0.3 -7,-0.1 -0.944 31.7-162.8-103.9 116.2 -4.5 27.5 2.2 67 67 A N > - 0 0 7 -2,-0.6 4,-2.3 -39,-0.2 5,-0.1 -0.167 39.1 -87.3 -87.3-171.3 -1.6 27.4 -0.2 68 68 A F H > S+ 0 0 2 1,-0.2 4,-1.6 -41,-0.2 -40,-0.1 0.897 127.5 48.2 -74.5 -37.9 -0.8 30.0 -2.8 69 69 A Q H > S+ 0 0 48 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.846 112.3 50.0 -66.0 -41.2 -3.0 28.6 -5.5 70 70 A E H >> S+ 0 0 4 1,-0.2 3,-0.9 2,-0.2 4,-0.9 0.870 107.7 54.7 -61.6 -43.1 -5.9 28.3 -3.1 71 71 A F H 3X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 3,-0.4 0.852 96.5 65.0 -56.9 -37.8 -5.3 31.9 -2.0 72 72 A L H 3X S+ 0 0 12 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.800 92.3 63.2 -63.0 -23.4 -5.7 33.0 -5.6 73 73 A I H < S+ 0 0 100 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.941 109.8 52.7 -66.6 -43.9 -18.9 45.1 -9.3 85 85 A K H >< S+ 0 0 80 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.811 96.9 67.2 -61.3 -29.5 -18.9 47.5 -6.4 86 86 A S H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.765 103.6 45.8 -64.4 -22.6 -17.0 50.1 -8.5 87 87 A H T << S+ 0 0 107 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.3 0.304 93.6 142.5-102.3 9.8 -20.2 50.4 -10.6 88 88 A E < 0 0 96 -3,-1.5 -3,-0.0 1,-0.2 0, 0.0 -0.820 360.0 360.0-105.0 141.7 -22.7 50.6 -7.7 89 89 A E 0 0 145 -2,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.605 360.0 360.0-154.8 360.0 -25.1 52.1 -7.4 90 !* 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 91 4 C K 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.3 -8.0 52.8 5.1 92 5 C M - 0 0 67 1,-0.1 -50,-0.1 4,-0.1 -51,-0.0 -0.214 360.0-123.9 -60.2 136.8 -7.6 50.4 2.1 93 6 C S > - 0 0 12 -52,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.241 24.9-102.7 -71.6 168.6 -5.4 47.5 2.7 94 7 C Q H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.938 124.7 48.8 -55.6 -47.6 -2.4 46.5 0.6 95 8 C L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 111.3 47.9 -58.7 -49.2 -4.5 43.7 -1.0 96 9 C E H > S+ 0 0 32 -55,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.892 111.3 51.6 -58.8 -39.5 -7.4 46.1 -1.7 97 10 C R H X S+ 0 0 127 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.887 110.5 49.0 -67.4 -35.6 -5.0 48.6 -3.2 98 11 C N H X S+ 0 0 16 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.937 111.5 48.0 -70.4 -42.5 -3.5 45.9 -5.5 99 12 C I H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.904 109.8 54.1 -61.8 -40.8 -7.0 44.8 -6.6 100 13 C E H X S+ 0 0 81 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.890 104.5 54.0 -61.3 -40.0 -7.8 48.5 -7.2 101 14 C T H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.908 109.2 48.7 -59.0 -43.0 -4.8 48.8 -9.5 102 15 C I H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.941 114.1 45.8 -60.6 -48.6 -6.0 45.8 -11.5 103 16 C I H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.921 113.2 48.8 -60.6 -47.6 -9.5 47.3 -11.8 104 17 C N H X S+ 0 0 85 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.893 111.9 49.9 -61.9 -40.8 -8.2 50.8 -12.7 105 18 C T H X S+ 0 0 9 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.919 110.1 49.8 -66.5 -47.3 -5.9 49.3 -15.4 106 19 C F H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.1 0.966 113.8 46.9 -50.7 -53.3 -8.7 47.3 -16.9 107 20 C H H 3X S+ 0 0 40 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.820 98.9 64.7 -64.5 -31.0 -10.9 50.4 -17.0 108 21 C Q H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.743 117.9 29.9 -69.8 -20.9 -8.4 52.8 -18.5 109 22 C Y H X< S+ 0 0 10 -3,-1.1 3,-1.5 -4,-0.8 4,-0.5 0.765 113.6 60.1 -97.7 -36.5 -8.5 50.6 -21.6 110 23 C S H 3< S+ 0 0 0 -4,-2.7 8,-0.4 1,-0.3 3,-0.4 0.875 100.2 58.5 -65.6 -32.1 -12.1 49.2 -21.5 111 24 C V T 3< S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.2 -3,-0.1 0.626 88.6 78.0 -67.8 -16.6 -13.6 52.7 -21.7 112 25 C K S < S+ 0 0 105 -3,-1.5 2,-0.3 -5,-0.1 -1,-0.2 0.925 99.6 10.5 -67.4 -50.8 -11.9 53.6 -25.0 113 26 C L S S- 0 0 105 -4,-0.5 5,-0.2 -3,-0.4 7,-0.2 -0.942 110.7 -19.3-132.5 148.9 -14.0 51.8 -27.7 114 27 C G S S+ 0 0 70 -2,-0.3 5,-0.0 2,-0.1 -4,-0.0 -0.238 119.9 21.6 59.9-141.0 -17.3 50.0 -27.9 115 28 C H S > S- 0 0 101 1,-0.1 3,-1.0 2,-0.1 -2,-0.3 -0.446 73.5-143.8 -64.1 131.0 -18.7 48.7 -24.6 116 29 C P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.614 94.9 48.4 -75.0 -11.7 -17.1 50.7 -21.8 117 30 C D T 3 S+ 0 0 39 -7,-0.1 46,-0.4 -6,-0.1 2,-0.3 0.222 105.5 64.1-109.9 12.0 -16.8 47.8 -19.4 118 31 C T S < S- 0 0 16 -3,-1.0 2,-0.6 -8,-0.4 44,-0.2 -0.953 76.0-124.8-133.7 151.6 -15.2 45.2 -21.7 119 32 C L B -B 161 0B 0 42,-2.3 42,-3.0 -2,-0.3 -9,-0.1 -0.884 20.8-158.2 -94.5 121.0 -11.9 45.0 -23.6 120 33 C N > - 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0 0 0 -3,-1.4 2,-0.6 -8,-0.5 -5,-0.3 -0.973 48.8-168.2-137.4 121.5 -14.9 26.3 -21.2 228 29 K V B -C 265 0C 0 37,-2.2 37,-2.5 -2,-0.4 -9,-0.1 -0.948 26.4-148.9-101.3 112.6 -17.2 23.7 -19.8 229 30 K Y > - 0 0 3 -2,-0.6 4,-2.7 -11,-0.2 5,-0.2 -0.188 29.7 -95.1 -79.9 172.6 -20.6 25.5 -19.7 230 31 K R H > S+ 0 0 95 33,-0.5 4,-1.2 1,-0.2 24,-0.1 0.870 127.3 45.7 -60.8 -40.6 -23.3 24.7 -17.1 231 32 K D H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 112.4 51.0 -68.3 -39.8 -25.1 22.3 -19.5 232 33 K D H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.865 104.1 58.6 -62.2 -38.7 -21.8 20.6 -20.5 233 34 K L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.879 99.3 58.4 -64.7 -33.1 -20.9 20.2 -16.8 234 35 K K H X S+ 0 0 119 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.928 109.0 44.9 -57.1 -45.9 -24.1 18.1 -16.3 235 36 K K H X S+ 0 0 89 -4,-1.2 4,-1.9 2,-0.2 5,-0.3 0.906 111.4 52.4 -67.5 -42.6 -22.8 15.7 -18.9 236 37 K L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.947 113.6 43.6 -51.0 -52.6 -19.3 15.6 -17.5 237 38 K L H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 9,-0.2 0.911 112.5 51.5 -64.8 -44.1 -20.7 14.8 -14.0 238 39 K E H < S+ 0 0 116 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.833 121.3 32.9 -58.6 -40.2 -23.2 12.2 -15.3 239 40 K T H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.815 129.1 30.6 -86.4 -38.1 -20.5 10.3 -17.3 240 41 K E H < S+ 0 0 7 -4,-3.0 55,-0.4 -5,-0.3 -3,-0.2 0.663 104.0 66.2-102.6 -22.2 -17.4 10.8 -15.2 241 42 K S S < S- 0 0 3 -4,-1.9 2,-0.1 -5,-0.4 53,-0.0 -0.790 76.8-114.4-110.7 149.6 -18.2 11.1 -11.5 242 43 K P >> - 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