==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAY-10 3N45 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-M.RONDEAU . 343 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 79.3 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 . 3 0.9 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 0.3 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 . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 1 2 2 0 2 1 0 0 0 1 0 1 0 0 1 1 0 0 0 2 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 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 8 F D >> 0 0 113 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -18.7 -9.6 73.6 21.2 2 9 F V T 34 + 0 0 44 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.725 360.0 65.6 -64.6 -21.3 -10.0 77.0 19.7 3 10 F Y T >> S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 3,-1.1 0.898 97.2 52.0 -68.1 -41.2 -6.4 76.7 18.6 4 11 F A H <> S+ 0 0 62 -3,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.835 107.3 52.4 -66.0 -32.7 -7.1 73.8 16.2 5 12 F Q H 3< S+ 0 0 124 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.500 116.8 39.0 -82.5 -2.7 -9.9 75.8 14.5 6 13 F E H <> S+ 0 0 11 -3,-1.1 4,-1.8 -4,-0.3 -2,-0.2 0.604 95.4 82.6-116.2 -20.1 -7.6 78.7 13.8 7 14 F K H X S+ 0 0 56 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.917 86.0 54.5 -50.9 -57.1 -4.4 76.9 13.0 8 15 F Q H X S+ 0 0 121 -4,-0.6 4,-2.5 1,-0.3 5,-0.2 0.909 111.8 41.9 -47.3 -57.7 -5.2 76.2 9.3 9 16 F D H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.846 116.3 52.2 -60.3 -34.4 -5.9 79.8 8.3 10 17 F F H >< S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.2 4,-0.4 0.941 111.4 44.3 -67.8 -48.3 -2.9 80.9 10.4 11 18 F V H >< S+ 0 0 43 -4,-3.4 3,-1.5 1,-0.2 4,-0.4 0.882 109.0 56.4 -65.6 -37.6 -0.5 78.5 8.8 12 19 F Q H >X S+ 0 0 132 -4,-2.5 3,-0.7 -5,-0.3 4,-0.6 0.742 96.6 66.5 -66.1 -20.8 -1.7 79.3 5.3 13 20 F H H S+ 0 0 18 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.889 87.1 57.8 -55.5 -41.3 2.8 82.0 6.2 15 22 F S H <> S+ 0 0 91 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.2 0.923 108.3 46.1 -55.0 -45.6 2.9 81.9 2.4 16 23 F Q H X S+ 0 0 42 -4,-0.6 4,-3.3 -3,-0.3 5,-0.2 0.903 109.3 54.7 -64.7 -42.7 1.7 85.5 2.2 17 24 F I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.937 112.1 44.0 -55.7 -48.2 4.2 86.6 4.9 18 25 F V H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 52.2 -63.5 -43.9 7.1 85.1 2.9 19 26 F R H < S+ 0 0 136 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.939 111.4 46.0 -57.2 -50.7 5.6 86.7 -0.3 20 27 F V H >< S+ 0 0 30 -4,-3.3 3,-0.9 1,-0.2 -1,-0.2 0.864 114.2 47.7 -62.9 -37.6 5.4 90.1 1.3 21 28 F L H >< S+ 0 0 2 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.2 0.793 113.8 47.5 -74.1 -28.7 8.9 89.9 2.8 22 29 F T T 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.087 93.6 78.2 -99.2 22.7 10.4 88.7 -0.5 23 30 F E T < S+ 0 0 115 -3,-0.9 4,-0.4 2,-0.1 -1,-0.2 0.258 73.4 76.9-110.0 7.5 8.7 91.4 -2.5 24 31 F D S < S+ 0 0 51 -3,-0.6 4,-0.2 1,-0.2 -1,-0.1 0.375 86.7 67.1 -92.0 -1.4 11.2 94.0 -1.4 25 32 F E S S+ 0 0 63 2,-0.2 3,-0.5 1,-0.1 6,-0.2 0.786 86.1 63.5 -87.9 -34.8 13.4 92.3 -4.0 26 33 F M S S+ 0 0 150 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.864 108.8 42.2 -60.0 -36.1 11.4 93.4 -7.0 27 34 F G S S+ 0 0 56 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.611 127.0 33.5 -85.6 -12.6 12.2 97.0 -6.3 28 35 F H > + 0 0 94 -3,-0.5 3,-2.1 -4,-0.2 -1,-0.2 -0.536 64.8 172.6-143.4 70.8 15.8 96.2 -5.5 29 36 F P G > S+ 0 0 100 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.714 72.3 74.8 -49.8 -28.6 17.0 93.3 -7.7 30 37 F E G 3 S+ 0 0 170 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.754 95.1 48.3 -61.5 -27.1 20.5 93.7 -6.4 31 38 F I G X> S+ 0 0 58 -3,-2.1 4,-2.6 -6,-0.2 3,-0.6 0.260 77.4 114.5 -97.8 13.2 19.6 92.1 -3.1 32 39 F G H <> S+ 0 0 8 -3,-1.8 4,-2.4 1,-0.3 5,-0.2 0.888 74.4 50.6 -47.7 -50.4 17.9 89.2 -4.7 33 40 F D H 3> S+ 0 0 148 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.3 0.854 111.7 49.0 -58.9 -35.9 20.5 86.6 -3.4 34 41 F A H <> S+ 0 0 56 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.893 110.2 50.4 -71.1 -39.4 20.0 88.0 0.1 35 42 F I H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.870 108.8 52.3 -66.4 -34.1 16.3 87.8 -0.2 36 43 F A H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.898 109.1 49.7 -66.9 -41.4 16.6 84.2 -1.4 37 44 F R H X S+ 0 0 67 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.937 109.1 52.9 -61.9 -45.1 18.7 83.4 1.7 38 45 F L H X S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.922 107.6 50.7 -55.9 -47.2 16.1 85.1 3.9 39 46 F K H X S+ 0 0 88 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 110.8 48.9 -58.9 -42.3 13.4 82.9 2.4 40 47 F E H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.896 111.9 49.6 -64.2 -39.0 15.5 79.8 3.0 41 48 F V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.941 112.4 47.3 -63.6 -48.8 16.1 81.0 6.6 42 49 F L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.5 0.905 112.7 48.0 -59.9 -47.3 12.3 81.6 7.2 43 50 F E H < S+ 0 0 96 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.860 117.4 42.2 -66.2 -34.2 11.2 78.3 5.8 44 51 F Y H < S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.879 128.0 27.1 -80.0 -37.0 13.8 76.4 7.8 45 52 F N H < S+ 0 0 17 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.545 122.0 45.6-105.1 -11.3 13.4 78.2 11.1 46 53 F A S < S+ 0 0 0 -4,-2.5 2,-0.4 -5,-0.3 3,-0.2 0.556 107.2 63.9-106.1 -12.0 9.9 79.6 11.2 47 54 F I S S+ 0 0 49 -5,-0.5 -1,-0.1 -4,-0.4 3,-0.1 -0.934 80.3 51.2-118.0 135.1 8.2 76.4 10.0 48 55 F G S S+ 0 0 45 -2,-0.4 -1,-0.1 1,-0.4 2,-0.1 0.228 84.4 93.6 129.9 -13.0 8.1 73.0 11.7 49 56 F G S S- 0 0 17 -3,-0.2 -1,-0.4 1,-0.0 -3,-0.0 -0.123 88.9 -98.4 -93.7-164.6 6.9 73.9 15.2 50 57 F K - 0 0 149 -3,-0.1 5,-0.1 -2,-0.1 -1,-0.0 0.543 41.1-141.0 -93.0 -13.3 3.4 73.9 16.7 51 58 F Y > + 0 0 21 1,-0.1 4,-2.9 3,-0.1 5,-0.2 0.671 52.2 143.1 59.7 21.7 3.0 77.7 16.2 52 59 F N H > + 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.816 64.1 53.4 -63.7 -32.4 1.2 78.0 19.5 53 60 F R H > S+ 0 0 47 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.952 115.1 41.3 -68.3 -44.1 2.7 81.3 20.5 54 61 F G H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.932 112.9 54.1 -66.7 -43.3 1.6 82.9 17.3 55 62 F L H 3X S+ 0 0 1 -4,-2.9 4,-3.1 1,-0.3 5,-0.2 0.824 98.7 64.6 -59.8 -30.6 -1.7 81.1 17.4 56 63 F T H 3X S+ 0 0 4 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.901 99.1 52.8 -60.9 -38.9 -2.2 82.6 20.9 57 64 F V H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.2 3,-0.5 0.893 108.9 58.7 -63.8 -39.2 -7.0 85.9 21.9 61 68 F F H 3X S+ 0 0 6 -4,-2.5 4,-2.9 -5,-0.3 3,-0.2 0.936 107.4 45.3 -55.7 -48.2 -7.7 88.4 19.1 62 69 F R H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.686 115.5 47.4 -71.3 -17.7 -11.0 86.6 18.2 63 70 F E H << S+ 0 0 51 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.689 120.4 36.9 -94.5 -20.3 -12.0 86.4 21.8 64 71 F L H < S+ 0 0 31 -4,-2.0 2,-0.5 -3,-0.2 -2,-0.2 0.758 104.5 73.5-100.2 -32.6 -11.2 90.0 22.6 65 72 F V S < S- 0 0 16 -4,-2.9 5,-0.1 -5,-0.3 145,-0.1 -0.734 89.7-114.0 -88.9 128.3 -12.3 91.7 19.4 66 73 F E > - 0 0 116 -2,-0.5 3,-3.5 1,-0.1 4,-0.5 -0.364 25.4-119.6 -61.4 133.0 -16.0 92.0 18.9 67 74 F P G > S+ 0 0 106 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.787 112.4 62.9 -40.9 -40.5 -17.1 89.9 15.8 68 75 F R G 3 S+ 0 0 199 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.615 107.2 45.4 -66.1 -11.3 -18.4 93.1 14.1 69 76 F K G < S+ 0 0 133 -3,-3.5 2,-1.4 1,-0.1 -1,-0.3 0.412 84.4 95.0-110.7 -1.4 -14.8 94.3 14.1 70 77 F Q < + 0 0 32 -3,-1.5 -1,-0.1 -4,-0.5 -2,-0.1 -0.356 58.6 161.5 -87.1 56.6 -13.2 91.1 12.9 71 78 F D > - 0 0 72 -2,-1.4 4,-2.4 -3,-0.1 5,-0.3 -0.136 56.7 -94.6 -69.9 170.9 -13.2 92.1 9.3 72 79 F A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.910 126.0 46.9 -54.2 -47.4 -11.0 90.5 6.6 73 80 F D H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 111.2 51.6 -64.6 -39.0 -8.2 93.1 7.0 74 81 F S H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 110.7 47.6 -65.4 -39.2 -8.3 92.9 10.8 75 82 F L H X S+ 0 0 19 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.900 109.0 55.3 -68.4 -38.8 -7.9 89.2 10.8 76 83 F Q H X S+ 0 0 49 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.933 109.0 47.0 -57.7 -47.3 -5.1 89.5 8.3 77 84 F R H X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.906 109.9 54.2 -62.4 -41.4 -3.3 91.8 10.7 78 85 F A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.941 108.9 47.4 -58.8 -47.3 -4.0 89.4 13.5 79 86 F W H X S+ 0 0 30 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.847 112.8 51.2 -63.3 -33.0 -2.4 86.5 11.6 80 87 F T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.939 109.4 47.4 -69.6 -47.3 0.6 88.8 10.8 81 88 F V H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.899 110.5 54.5 -62.4 -37.2 1.2 89.8 14.4 82 89 F G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.913 108.4 48.2 -61.9 -40.9 1.0 86.2 15.3 83 90 F W H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.867 104.3 60.0 -69.5 -30.2 3.6 85.4 12.8 84 91 F C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 104.5 50.8 -60.5 -39.1 5.7 88.2 14.2 85 92 F V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.936 109.3 50.0 -64.0 -42.1 5.7 86.4 17.5 86 93 F E H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.883 110.7 50.4 -63.2 -35.5 6.8 83.2 15.8 87 94 F L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.873 107.8 51.7 -69.7 -37.2 9.6 85.2 14.1 88 95 F L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.942 112.0 48.5 -62.2 -44.6 10.7 86.6 17.4 89 96 F Q H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.946 111.3 49.0 -56.4 -51.8 10.8 83.0 18.7 90 97 F A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.892 108.4 54.3 -56.7 -45.0 12.8 81.9 15.7 91 98 F F H X S+ 0 0 15 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.952 113.3 41.5 -54.5 -54.7 15.3 84.7 16.1 92 99 F F H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.888 114.2 51.3 -64.4 -39.9 16.0 83.7 19.8 93 100 F L H X S+ 0 0 20 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.883 105.0 54.9 -67.8 -40.0 16.0 80.0 19.1 94 101 F V H X S+ 0 0 7 -4,-2.5 4,-1.3 -5,-0.2 18,-0.2 0.958 117.1 37.9 -57.1 -45.8 18.5 80.2 16.3 95 102 F A H X S+ 0 0 29 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.884 114.2 55.1 -72.5 -38.4 20.9 82.1 18.6 96 103 F D H X S+ 0 0 22 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.889 104.9 54.1 -62.5 -39.7 20.0 80.0 21.6 97 104 F D H <>S+ 0 0 7 -4,-2.8 5,-2.4 2,-0.2 4,-0.5 0.891 109.7 46.9 -63.1 -39.3 20.9 76.8 19.8 98 105 F I H ><5S+ 0 0 33 -4,-1.3 3,-1.0 -5,-0.2 -2,-0.2 0.955 115.6 45.8 -65.4 -48.4 24.3 78.1 18.9 99 106 F M H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.774 115.9 44.7 -67.4 -27.5 24.9 79.2 22.5 100 107 F D T 3<5S- 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.413 107.2-124.4 -94.9 1.8 23.6 76.0 24.1 101 108 F S T < 5 + 0 0 76 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.898 48.4 176.9 55.5 43.4 25.6 73.8 21.6 102 109 F S < - 0 0 10 -5,-2.4 -1,-0.1 -6,-0.2 3,-0.1 -0.336 28.3-159.7 -79.4 160.3 22.4 72.1 20.6 103 110 F L + 0 0 85 148,-0.3 7,-2.5 1,-0.3 2,-0.3 0.810 67.2 18.9-106.1 -46.2 22.1 69.5 17.9 104 111 F T E -A 109 0A 33 5,-0.3 147,-0.4 147,-0.2 2,-0.3 -0.883 51.4-177.6-130.2 162.2 18.4 69.3 16.8 105 112 F R E > S+A 108 0A 40 3,-2.7 3,-1.7 -2,-0.3 145,-0.2 -0.936 75.0 0.3-159.2 131.2 15.3 71.5 17.0 106 113 F R T 3 S- 0 0 56 142,-0.4 143,-0.2 -2,-0.3 144,-0.2 0.860 130.9 -56.0 53.9 39.5 11.8 70.7 15.8 107 114 F G T 3 S+ 0 0 65 142,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.586 121.6 87.7 73.9 9.3 12.9 67.2 14.6 108 115 F Q E < S-A 105 0A 67 -3,-1.7 -3,-2.7 141,-0.4 -1,-0.2 -0.894 89.3 -78.7-135.0 166.1 15.7 68.6 12.4 109 116 F I E -A 104 0A 91 -2,-0.3 -5,-0.3 -5,-0.2 5,-0.1 -0.387 60.9 -97.2 -62.8 137.7 19.3 69.5 12.6 110 117 F C >> - 0 0 2 -7,-2.5 3,-1.1 1,-0.1 4,-0.6 -0.267 33.5-115.6 -55.0 144.1 19.8 73.0 14.2 111 118 F W G >4 S+ 0 0 7 1,-0.3 3,-1.6 2,-0.2 7,-0.4 0.902 114.5 50.6 -49.9 -49.6 20.2 75.7 11.5 112 119 F Y G 34 S+ 0 0 31 1,-0.3 6,-0.9 -18,-0.2 -1,-0.3 0.747 107.3 55.4 -65.2 -21.3 23.8 76.6 12.6 113 120 F Q G <4 S+ 0 0 83 -3,-1.1 -1,-0.3 4,-0.1 -2,-0.2 0.517 81.8 110.7 -86.6 -8.2 24.8 72.9 12.4 114 121 F K S XX S- 0 0 61 -3,-1.6 3,-2.4 -4,-0.6 4,-0.8 -0.505 85.6 -99.7 -68.7 133.7 23.6 72.6 8.8 115 122 F P T 34 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.280 109.5 19.6 -54.6 129.3 26.5 72.2 6.5 116 123 F G T 34 S+ 0 0 76 -4,-0.1 -2,-0.1 -3,-0.1 -3,-0.1 0.298 113.0 75.7 93.7 -11.3 27.4 75.5 4.9 117 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52.0 -64.3 -40.7 13.7 71.7 31.8 238 245 F Y H >X S+ 0 0 36 -4,-2.5 4,-2.8 1,-0.2 3,-1.1 0.955 111.1 46.8 -60.0 -49.7 12.0 68.5 32.8 239 246 F L H 3X S+ 0 0 60 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.705 94.7 76.0 -65.8 -23.3 11.6 67.4 29.2 240 247 F D H 3< S+ 0 0 31 -4,-1.3 12,-0.4 -3,-0.2 -1,-0.2 0.886 119.2 12.6 -56.7 -36.2 15.2 68.3 28.3 241 248 F L H << S+ 0 0 32 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.790 140.3 32.8-108.8 -39.7 16.2 65.1 30.1 242 249 F F H < S+ 0 0 37 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.418 92.1 109.4-101.4 0.7 13.1 63.0 30.7 243 250 F G S < S- 0 0 15 -4,-1.3 9,-0.1 -5,-0.3 3,-0.1 -0.362 79.5-101.4 -78.0 157.7 11.1 64.0 27.6 244 251 F D >> - 0 0 91 1,-0.2 4,-2.6 -2,-0.1 3,-2.6 -0.687 26.5-148.0 -80.0 112.4 10.5 61.7 24.7 245 252 F P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.842 98.0 56.3 -48.3 -40.0 13.0 62.7 22.0 246 253 F S H 34 S+ 0 0 105 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.621 115.6 39.2 -70.9 -11.4 10.5 61.7 19.2 247 254 F V H <4 S+ 0 0 114 -3,-2.6 -1,-0.2 3,-0.1 -4,-0.0 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106.1 49.9 -61.8 -50.9 18.3 67.9 43.2 268 275 F L H 3< S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.6 54.0 -59.5 -29.6 20.3 70.2 45.4 269 276 F Q H 3< S+ 0 0 109 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.690 120.0 30.8 -80.3 -17.9 17.4 70.7 47.7 270 277 F R H << S+ 0 0 114 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.498 94.2 113.2-115.5 -9.5 16.9 67.0 48.3 271 278 F A < - 0 0 25 -4,-2.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.358 58.7-134.5 -71.7 143.0 20.4 65.7 47.9 272 279 F T > - 0 0 64 -2,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.452 37.8 -95.0 -86.7 166.1 22.4 64.2 50.8 273 280 F P H > S+ 0 0 118 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.859 128.5 46.0 -49.9 -38.1 26.0 65.2 51.4 274 281 F E H > S+ 0 0 150 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.949 112.3 47.3 -71.4 -50.7 27.1 62.2 49.3 275 282 F Q H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 107.4 59.7 -58.4 -38.4 24.7 62.7 46.5 276 283 F Y H X S+ 0 0 84 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.904 104.4 49.3 -55.6 -43.8 25.7 66.3 46.4 277 284 F Q H X S+ 0 0 77 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.869 108.7 52.5 -65.2 -38.3 29.3 65.2 45.7 278 285 F I H X S+ 0 0 33 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.930 111.1 47.1 -62.9 -45.9 28.2 62.9 42.9 279 286 F L H >X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.942 111.1 52.2 -60.3 -48.0 26.3 65.8 41.3 280 287 F K H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.7 45.2 -58.1 -37.4 29.3 68.1 41.7 281 288 F E H 3< S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.567 122.2 35.7 -86.3 -8.8 31.7 65.7 40.0 282 289 F N H X< S+ 0 0 29 -3,-0.9 3,-0.6 -4,-0.9 12,-0.2 0.529 93.6 97.2-120.2 -10.0 29.5 64.8 37.1 283 290 F Y T 3< S+ 0 0 0 -4,-2.1 -27,-0.1 1,-0.2 -107,-0.1 -0.447 81.1 22.0 -82.7 154.8 27.6 68.0 36.3 284 291 F G T 3 S+ 0 0 7 -29,-1.5 -110,-0.6 1,-0.2 2,-0.3 0.686 95.3 116.2 67.4 22.3 28.6 70.5 33.5 285 292 F Q < - 0 0 50 -3,-0.6 -1,-0.2 2,-0.1 -27,-0.1 -0.919 65.1-136.2-126.3 150.4 30.6 68.0 31.5 286 293 F K + 0 0 179 -2,-0.3 2,-0.3 -30,-0.1 -30,-0.1 0.646 66.6 116.8 -76.2 -17.1 30.3 66.4 28.0 287 294 F E >> - 0 0 68 1,-0.2 4,-2.3 -31,-0.1 3,-0.7 -0.375 60.0-147.3 -58.6 117.3 31.1 62.9 29.0 288 295 F A H 3> S+ 0 0 78 -2,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.829 98.7 56.0 -54.2 -35.2 28.1 60.7 28.3 289 296 F E H 3> S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.878 108.3 47.0 -65.6 -38.6 28.9 58.5 31.3 290 297 F K H <> S+ 0 0 43 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.898 111.7 49.9 -71.6 -39.5 28.9 61.6 33.6 291 298 F V H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.943 109.3 52.5 -62.9 -44.9 25.6 62.9 32.2 292 299 F A H X S+ 0 0 58 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.863 105.5 55.8 -58.4 -36.0 24.1 59.4 32.7 293 300 F R H X S+ 0 0 128 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.920 106.8 49.0 -62.9 -44.6 25.3 59.5 36.3 294 301 F V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.923 110.3 50.8 -61.4 -44.3 23.4 62.8 36.9 295 302 F K H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 107.8 53.3 -62.0 -36.9 20.2 61.4 35.4 296 303 F A H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.897 107.9 50.9 -65.2 -40.1 20.5 58.3 37.6 297 304 F L H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.903 109.7 50.3 -63.8 -41.4 20.8 60.6 40.7 298 305 F Y H <>S+ 0 0 2 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.893 111.6 47.6 -63.5 -41.4 17.6 62.5 39.5 299 306 F E H ><5S+ 0 0 101 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.838 109.2 54.5 -68.8 -31.6 15.7 59.2 39.1 300 307 F E H 3<5S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.6 49.7 -70.3 -31.5 16.9 58.1 42.5 301 308 F L T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.265 113.3-122.1 -90.2 12.5 15.5 61.3 44.0 302 309 F D T <>5 + 0 0 105 -3,-1.1 4,-2.1 1,-0.1 3,-0.4 0.810 54.4 158.9 51.9 35.9 12.2 60.6 42.2 303 310 F L H >< + 0 0 0 -5,-2.5 4,-2.9 1,-0.2 5,-0.2 0.849 68.5 59.1 -57.1 -35.4 12.5 64.0 40.4 304 311 F P H > S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.934 108.4 44.0 -61.0 -42.8 10.1 62.8 37.7 305 312 F A H > S+ 0 0 59 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.854 111.7 55.5 -67.4 -33.8 7.4 62.1 40.4 306 313 F V H X S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.928 107.4 48.6 -64.4 -44.0 8.3 65.5 41.9 307 314 F F H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.917 108.5 53.5 -61.9 -43.1 7.6 67.2 38.6 308 315 F L H X S+ 0 0 94 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.873 111.1 46.5 -60.6 -36.4 4.3 65.4 38.1 309 316 F Q H X S+ 0 0 95 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.924 111.6 51.1 -70.7 -44.2 3.2 66.7 41.6 310 317 F Y H X S+ 0 0 51 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.856 105.6 57.0 -61.4 -36.1 4.4 70.2 40.8 311 318 F E H X S+ 0 0 29 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.912 109.4 44.6 -62.4 -42.9 2.5 70.2 37.6 312 319 F E H X S+ 0 0 119 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.950 116.3 45.4 -67.6 -46.6 -0.8 69.5 39.4 313 320 F D H X S+ 0 0 90 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 113.6 50.4 -62.4 -41.9 -0.1 72.1 42.1 314 321 F S H X S+ 0 0 7 -4,-3.2 4,-3.0 -5,-0.2 5,-0.2 0.920 107.4 54.1 -61.6 -44.1 1.0 74.6 39.5 315 322 F Y H X S+ 0 0 103 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.949 110.2 46.2 -55.5 -50.1 -2.1 74.0 37.5 316 323 F S H X S+ 0 0 77 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.887 112.6 50.9 -61.7 -37.3 -4.3 74.7 40.6 317 324 F H H X S+ 0 0 87 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 111.0 47.5 -65.0 -46.7 -2.3 77.8 41.4 318 325 F I H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.912 110.9 51.2 -62.0 -43.8 -2.6 79.2 37.9 319 326 F M H X S+ 0 0 27 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 108.2 53.0 -62.0 -37.7 -6.3 78.5 37.8 320 327 F A H X S+ 0 0 52 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 107.8 51.3 -62.7 -39.9 -6.6 80.4 41.1 321 328 F L H X S+ 0 0 18 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.843 107.1 54.1 -66.0 -33.1 -4.8 83.3 39.6 322 329 F I H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 5,-0.4 0.943 105.2 51.9 -67.5 -44.3 -7.2 83.3 36.7 323 330 F E H < S+ 0 0 171 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.914 118.4 40.2 -57.5 -38.8 -10.2 83.5 39.0 324 331 F Q H < S+ 0 0 125 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.876 130.2 20.7 -78.4 -38.7 -8.6 86.5 40.6 325 332 F Y H < S+ 0 0 52 -4,-3.1 4,-0.2 -5,-0.1 -3,-0.2 0.527 93.7 89.3-114.0 -6.2 -7.1 88.4 37.6 326 333 F A >< + 0 0 4 -4,-2.5 3,-2.3 -5,-0.3 -3,-0.1 0.956 65.5 130.0 -56.9 -53.6 -8.9 87.4 34.4 327 334 F A T 3 + 0 0 72 -5,-0.4 -107,-0.0 1,-0.4 -106,-0.0 -0.115 66.3 20.6 -48.8 141.7 -11.6 90.0 34.7 328 335 F P T 3 S+ 0 0 106 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.965 116.4 75.9 -85.9 10.7 -12.6 91.9 32.7 329 336 F L S < S- 0 0 12 -3,-2.3 -265,-0.1 -4,-0.2 5,-0.0 -0.471 96.8 -91.3 -79.6 152.2 -11.1 89.7 30.0 330 337 F P >> - 0 0 49 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.441 28.6-138.6 -62.8 125.5 -12.8 86.4 29.0 331 338 F P H >> S+ 0 0 71 0, 0.0 4,-2.8 0, 0.0 3,-0.8 0.826 99.0 73.2 -54.3 -32.0 -11.5 83.6 31.2 332 339 F A H 3> S+ 0 0 49 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.828 86.0 64.7 -52.5 -35.2 -11.5 81.4 28.1 333 340 F V H <> S+ 0 0 4 -3,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.930 112.6 32.2 -54.9 -48.2 -8.4 83.4 26.9 334 341 F F H X S+ 0 0 7 -4,-1.2 4,-1.3 -5,-0.3 3,-0.6 0.933 112.0 50.5 -62.9 -44.9 -3.7 78.8 26.8 338 345 F A H 3X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.3 3,-0.5 0.899 105.3 55.8 -60.9 -41.4 -3.5 76.7 30.0 339 346 F R H 3< S+ 0 0 161 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.795 106.5 53.8 -62.2 -26.8 -5.1 73.7 28.3 340 347 F K H << S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.802 115.3 35.9 -78.4 -30.9 -2.3 73.9 25.7 341 348 F I H < S+ 0 0 13 -4,-1.3 2,-1.0 -3,-0.5 -2,-0.2 0.720 105.1 70.0 -97.3 -22.2 0.6 73.9 28.1 342 349 F Y < 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -110,-0.0 -0.769 360.0 360.0 -98.8 92.3 -0.8 71.5 30.7 343 350 F K 0 0 217 -2,-1.0 -1,-0.2 -3,-0.1 0, 0.0 0.129 360.0 360.0 53.1 360.0 -0.8 68.1 29.0