==== 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 20-MAY-10 3N3L . 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) . 16926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 81.3 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 . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.4 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 . 9 2.6 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 0 0 0 1 0 1 2 0 2 1 1 0 0 0 0 2 0 0 1 0 1 0 0 1 1 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 0 153 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -73.1 -9.3 72.9 22.4 2 9 F V T 4 + 0 0 62 1,-0.2 334,-0.0 2,-0.2 0, 0.0 0.834 360.0 42.6 -59.3 -32.3 -9.3 76.7 22.0 3 10 F Y T >> S+ 0 0 25 1,-0.1 4,-1.8 2,-0.1 3,-1.5 0.862 108.6 59.5 -79.7 -39.4 -5.6 76.2 21.0 4 11 F A H 3> S+ 0 0 59 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.885 106.0 46.4 -57.1 -43.4 -6.3 73.2 18.9 5 12 F Q H 3< S+ 0 0 131 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.008 113.8 49.8 -92.9 32.5 -8.7 75.0 16.5 6 13 F E H <> S+ 0 0 7 -3,-1.5 4,-2.2 2,-0.1 -2,-0.2 0.504 89.1 74.8-133.4 -32.4 -6.4 78.0 16.1 7 14 F K H X S+ 0 0 79 -4,-1.8 4,-2.6 1,-0.2 5,-0.4 0.845 92.3 60.8 -53.2 -37.7 -3.1 76.2 15.3 8 15 F Q H X S+ 0 0 123 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.971 110.9 35.6 -56.1 -60.4 -4.5 75.6 11.8 9 16 F D H > S+ 0 0 61 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.758 119.3 54.3 -66.1 -27.2 -5.0 79.3 10.9 10 17 F F H >X S+ 0 0 0 -4,-2.2 3,-2.1 2,-0.2 4,-0.6 0.994 110.1 40.4 -70.7 -68.6 -1.8 80.2 12.8 11 18 F V H 3< S+ 0 0 50 -4,-2.6 3,-0.4 1,-0.3 4,-0.3 0.723 112.7 59.4 -54.6 -21.3 0.7 77.8 11.2 12 19 F Q H >< S+ 0 0 136 -4,-1.2 3,-0.8 -5,-0.4 4,-0.4 0.779 96.7 60.1 -78.2 -27.0 -0.9 78.6 7.8 13 20 F H H S+ 0 0 79 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.861 107.5 46.0 -64.3 -36.2 3.7 81.3 4.5 16 23 F Q H > S+ 0 0 49 -4,-0.4 4,-3.4 -3,-0.3 5,-0.3 0.957 110.4 53.8 -69.3 -48.6 2.4 84.8 4.2 17 24 F I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 113.8 42.1 -49.7 -51.4 4.9 86.0 6.9 18 25 F V H < S+ 0 0 6 -4,-2.7 4,-0.4 2,-0.2 5,-0.3 0.961 112.9 53.0 -62.2 -51.2 7.8 84.5 5.0 19 26 F R H >X S+ 0 0 122 -4,-2.4 4,-3.4 1,-0.2 3,-1.6 0.935 112.3 45.4 -48.2 -54.5 6.4 85.7 1.6 20 27 F V H 3X S+ 0 0 26 -4,-3.4 4,-1.1 1,-0.3 5,-0.4 0.946 107.8 56.2 -56.5 -52.4 6.2 89.3 3.0 21 28 F L H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.448 124.3 24.4 -62.9 2.8 9.7 89.2 4.6 22 29 F T H <> S+ 0 0 24 -3,-1.6 4,-1.2 -4,-0.4 -2,-0.2 0.634 114.2 54.9-132.2 -48.1 11.1 88.3 1.2 23 30 F E H >< S+ 0 0 118 -4,-3.4 3,-0.5 -5,-0.3 -3,-0.2 0.916 110.7 48.7 -59.0 -45.8 9.1 89.4 -1.8 24 31 F D G >< S+ 0 0 67 -4,-1.1 3,-1.1 -5,-0.4 -1,-0.2 0.864 110.7 51.7 -62.2 -37.8 9.0 93.1 -0.6 25 32 F E G >4 S+ 0 0 52 -5,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.718 90.4 78.4 -72.1 -21.4 12.7 92.9 -0.1 26 33 F M G << + 0 0 97 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.479 66.9 89.5 -67.6 0.7 13.1 91.6 -3.6 27 34 F G G < S+ 0 0 55 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.547 89.5 51.8 -72.2 -5.7 12.6 95.2 -4.7 28 35 F H X - 0 0 98 -3,-1.7 3,-1.6 1,-0.1 -1,-0.3 -0.769 69.2-175.1-133.5 85.1 16.4 95.2 -4.3 29 36 F P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.717 77.1 77.3 -51.2 -26.1 17.9 92.3 -6.3 30 37 F E G 3 S+ 0 0 166 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.882 102.7 34.9 -54.1 -42.8 21.3 93.3 -4.9 31 38 F I G <> S+ 0 0 58 -3,-1.6 4,-2.4 -6,-0.2 3,-0.4 0.165 86.5 110.4 -98.2 16.0 20.5 91.7 -1.5 32 39 F G H <> S+ 0 0 13 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.879 74.0 55.0 -58.6 -38.7 18.5 88.9 -3.1 33 40 F D H > S+ 0 0 152 -4,-0.4 4,-1.3 -3,-0.4 -1,-0.2 0.831 109.0 48.0 -65.1 -31.7 21.1 86.3 -2.1 34 41 F A H > S+ 0 0 59 -3,-0.4 4,-2.8 2,-0.2 3,-0.4 0.937 108.1 53.5 -73.3 -46.9 20.8 87.3 1.5 35 42 F I H X S+ 0 0 10 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.811 105.1 56.1 -57.9 -28.7 17.1 87.2 1.5 36 43 F A H X S+ 0 0 61 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.3 0.919 109.7 45.0 -68.4 -41.8 17.3 83.7 0.2 37 44 F R H X S+ 0 0 74 -4,-1.3 4,-2.1 -3,-0.4 3,-0.4 0.896 107.5 58.7 -64.9 -43.5 19.5 82.8 3.2 38 45 F L H X S+ 0 0 13 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.872 102.8 54.2 -55.4 -38.4 17.1 84.6 5.5 39 46 F K H X S+ 0 0 90 -4,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.873 105.9 51.6 -66.1 -36.4 14.3 82.3 4.2 40 47 F E H < S+ 0 0 100 -4,-1.2 4,-0.4 -3,-0.4 -1,-0.2 0.911 108.3 51.7 -66.5 -40.6 16.3 79.2 5.1 41 48 F V H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 3,-0.5 0.885 113.6 44.6 -61.5 -42.6 16.9 80.5 8.7 42 49 F L H X>S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 5,-0.8 0.931 109.6 52.1 -69.6 -50.3 13.2 81.1 9.2 43 50 F E H <5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.505 117.4 42.0 -68.6 1.0 11.9 77.9 7.8 44 51 F Y H 45S+ 0 0 37 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.719 123.5 27.2-116.5 -28.9 14.2 76.0 10.0 45 52 F N H <5S+ 0 0 18 -4,-1.6 4,-0.2 -3,-0.1 -3,-0.2 0.663 119.4 50.5-108.2 -23.8 14.2 77.7 13.4 46 53 F A T <5S+ 0 0 2 -4,-1.9 3,-0.4 -5,-0.3 2,-0.2 0.897 103.5 63.5 -81.1 -43.2 10.7 79.2 13.5 47 54 F I S + 0 0 14 1,-0.1 4,-3.1 3,-0.1 5,-0.3 0.697 50.9 149.9 57.1 24.8 3.7 77.5 19.3 52 59 F N H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.842 73.7 44.9 -56.5 -34.4 2.1 77.8 22.7 53 60 F R H > S+ 0 0 43 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.980 114.8 45.7 -72.6 -55.3 3.5 81.3 23.1 54 61 F G H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.872 114.7 48.9 -52.9 -43.3 2.6 82.5 19.7 55 62 F L H X S+ 0 0 4 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.866 98.1 67.0 -67.5 -36.5 -0.9 81.1 20.0 56 63 F T H X S+ 0 0 10 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.872 100.7 53.0 -53.4 -33.5 -1.4 82.6 23.4 57 64 F V H X S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.5 -1,-0.2 0.949 112.7 41.6 -65.6 -47.2 -1.4 85.9 21.5 58 65 F V H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.940 117.9 46.4 -63.8 -50.9 -4.1 84.8 19.1 59 66 F V H X S+ 0 0 9 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.940 113.3 47.1 -58.8 -52.6 -6.2 83.1 21.7 60 67 F A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.834 107.5 60.9 -60.5 -31.6 -6.1 86.0 24.2 61 68 F F H X S+ 0 0 5 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.959 102.0 49.1 -59.4 -54.7 -6.9 88.4 21.4 62 69 F R H < S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.5 45.6 -53.5 -46.0 -10.2 86.8 20.6 63 70 F E H < S+ 0 0 71 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.956 114.3 46.2 -65.6 -49.2 -11.3 86.9 24.3 64 71 F L H < S+ 0 0 30 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 0.734 107.3 66.3 -68.3 -21.7 -10.1 90.4 25.0 65 72 F V S < S- 0 0 19 -4,-2.0 5,-0.1 -5,-0.2 145,-0.1 -0.828 94.7-100.3-106.1 141.2 -11.7 91.9 21.8 66 73 F E > - 0 0 91 -2,-0.4 3,-3.2 1,-0.1 4,-0.2 -0.287 33.1-117.5 -57.6 135.6 -15.4 92.1 21.1 67 74 F P T 3 S+ 0 0 114 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.679 115.2 49.8 -46.5 -26.3 -16.6 89.4 18.7 68 75 F R T 3 S+ 0 0 170 1,-0.2 3,-0.1 2,-0.0 -2,-0.1 0.484 102.5 60.9 -96.0 -2.3 -17.6 92.0 16.1 69 76 F K S < S+ 0 0 106 -3,-3.2 2,-0.4 1,-0.2 -1,-0.2 0.233 80.6 89.4-104.9 11.7 -14.2 93.8 16.2 70 77 F Q + 0 0 32 -3,-0.4 -1,-0.2 -4,-0.2 -8,-0.0 -0.410 58.9 154.2-103.8 54.5 -12.3 90.7 15.1 71 78 F D > - 0 0 83 -2,-0.4 4,-1.6 -3,-0.1 5,-0.2 0.064 62.9 -82.3 -70.5-169.8 -12.5 91.3 11.4 72 79 F A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 3,-0.1 0.938 128.1 49.7 -60.6 -50.5 -10.0 90.0 8.8 73 80 F D H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.949 108.9 50.3 -54.0 -56.8 -7.5 92.8 9.4 74 81 F S H > S+ 0 0 27 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.831 113.3 47.3 -53.6 -35.8 -7.5 92.5 13.2 75 82 F L H X S+ 0 0 27 -4,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.839 107.3 56.5 -75.4 -34.4 -6.9 88.7 12.9 76 83 F Q H X S+ 0 0 44 -4,-2.2 4,-1.1 -3,-0.3 -2,-0.2 0.918 111.8 42.3 -62.5 -43.9 -4.2 89.2 10.3 77 84 F R H X S+ 0 0 35 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.924 111.6 55.2 -67.7 -46.6 -2.2 91.4 12.7 78 85 F A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.925 108.3 47.6 -53.5 -49.3 -2.9 89.2 15.7 79 86 F W H X S+ 0 0 29 -4,-2.5 4,-1.8 2,-0.2 -1,-0.3 0.825 113.6 51.2 -61.9 -30.4 -1.4 86.2 13.9 80 87 F T H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 3,-0.3 0.971 109.7 45.0 -71.0 -55.0 1.5 88.4 12.9 81 88 F V H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.3 -1,-0.2 0.786 111.5 58.8 -58.8 -23.7 2.2 89.6 16.4 82 89 F G H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.4 -1,-0.3 0.924 106.8 44.0 -70.0 -44.2 1.8 86.0 17.4 83 90 F W H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.754 105.6 63.6 -71.5 -25.6 4.6 84.9 15.0 84 91 F C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.912 103.3 48.0 -64.9 -40.2 6.7 87.8 16.3 85 92 F V H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.916 111.4 50.6 -64.0 -42.1 6.7 86.2 19.7 86 93 F E H X S+ 0 0 6 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.913 110.9 48.9 -63.8 -38.6 7.6 82.9 18.1 87 94 F L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.869 106.0 56.5 -68.2 -37.0 10.5 84.7 16.2 88 95 F L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.949 109.3 47.0 -58.8 -47.5 11.8 86.3 19.3 89 96 F Q H X S+ 0 0 21 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.945 108.4 53.7 -60.5 -47.1 12.0 82.8 20.9 90 97 F A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.902 108.5 51.9 -51.2 -45.8 13.8 81.4 17.7 91 98 F F H X S+ 0 0 15 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.969 112.0 45.3 -56.9 -53.9 16.3 84.2 18.1 92 99 F F H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.917 115.5 46.1 -57.4 -47.4 16.9 83.3 21.8 93 100 F L H X S+ 0 0 21 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.895 108.9 53.3 -64.5 -42.5 17.2 79.5 21.2 94 101 F V H X S+ 0 0 6 -4,-2.6 4,-0.9 -5,-0.3 18,-0.2 0.951 116.5 40.1 -57.8 -48.7 19.5 79.8 18.2 95 102 F A H X S+ 0 0 24 -4,-1.8 4,-2.0 -5,-0.2 3,-0.2 0.855 113.7 52.9 -67.8 -41.0 21.9 81.9 20.2 96 103 F D H X S+ 0 0 22 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.886 103.1 58.1 -65.1 -38.0 21.6 79.9 23.5 97 104 F D H X>S+ 0 0 8 -4,-2.4 5,-2.2 1,-0.2 4,-0.6 0.833 107.8 48.0 -61.3 -32.2 22.4 76.6 21.7 98 105 F I H ><5S+ 0 0 27 -4,-0.9 3,-0.8 -3,-0.2 -2,-0.2 0.969 112.7 46.1 -72.6 -51.7 25.7 78.1 20.6 99 106 F M H 3<5S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.914 116.9 43.9 -55.4 -47.1 26.6 79.4 24.0 100 107 F D H 3<5S- 0 0 43 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.590 107.6-126.3 -73.7 -13.4 25.6 76.1 25.8 101 108 F S T <<5 - 0 0 72 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.900 44.3-179.9 66.1 42.4 27.3 74.1 23.1 102 109 F S < - 0 0 32 -5,-2.2 -1,-0.1 -6,-0.2 3,-0.1 -0.302 26.4-160.9 -72.4 158.0 24.2 72.1 22.6 103 110 F L + 0 0 122 1,-0.3 7,-2.0 6,-0.1 2,-0.3 0.779 69.9 21.8-106.0 -45.7 24.0 69.3 20.0 104 111 F T E -A 109 0A 86 5,-0.2 2,-0.3 9,-0.0 -1,-0.3 -0.830 51.3-173.4-127.5 164.9 20.2 68.9 19.5 105 112 F R E > S-A 108 0A 80 3,-2.7 3,-1.7 -2,-0.3 6,-0.0 -0.924 82.0 -0.9-156.3 124.5 17.0 70.9 19.9 106 113 F R T 3 S- 0 0 98 -2,-0.3 3,-0.1 1,-0.3 144,-0.0 0.841 128.4 -65.6 60.1 30.7 13.5 69.5 19.4 107 114 F G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.217 119.2 101.7 77.7 -17.7 15.2 66.2 18.5 108 115 F Q E < S-A 105 0A 73 -3,-1.7 -3,-2.7 1,-0.1 -1,-0.2 -0.509 85.3 -81.4 -96.0 166.9 16.8 67.8 15.4 109 116 F I E -A 104 0A 93 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.2 -0.388 51.8-103.8 -66.9 139.9 20.3 69.2 14.9 110 117 F C >> - 0 0 2 -7,-2.0 3,-2.5 1,-0.1 4,-0.9 -0.458 29.3-118.0 -67.0 134.8 21.0 72.7 16.2 111 118 F W G >4 S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 7,-0.3 0.841 114.6 49.0 -38.8 -52.2 21.1 75.3 13.5 112 119 F Y G 34 S+ 0 0 31 1,-0.3 6,-0.9 -18,-0.2 -1,-0.3 0.738 104.7 62.8 -67.3 -16.7 24.7 76.2 14.1 113 120 F Q G <4 S+ 0 0 79 -3,-2.5 -1,-0.3 4,-0.1 -2,-0.2 0.729 79.5 102.0 -78.5 -23.2 25.6 72.5 14.1 114 121 F K S XX S- 0 0 75 -3,-1.3 3,-1.5 -4,-0.9 4,-1.1 -0.286 89.0 -92.8 -61.4 148.9 24.6 72.1 10.4 115 122 F P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.429 110.3 17.5 -64.7 130.4 27.4 72.0 7.9 116 123 F G T 34 S+ 0 0 70 -2,-0.2 -2,-0.1 -4,-0.1 -3,-0.1 0.224 114.0 74.3 93.3 -16.4 28.2 75.3 6.4 117 124 F V T X4 + 0 0 10 -3,-1.5 3,-1.7 -6,-0.2 -5,-0.2 0.907 55.9 133.8 -92.3 -67.7 26.4 77.3 9.1 118 125 F G G >< S- 0 0 29 -4,-1.1 3,-2.0 -6,-0.9 -4,-0.1 -0.175 84.4 -8.4 54.6-141.2 28.6 77.2 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4,-2.7 1,-0.2 5,-0.2 0.922 110.0 50.4 -58.8 -45.1 -1.4 90.7 34.8 222 229 F K H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.876 106.5 57.6 -60.9 -35.9 2.3 90.6 35.2 223 230 F K H X S+ 0 0 79 -4,-1.0 4,-0.8 -5,-0.2 -2,-0.2 0.938 113.5 36.8 -59.0 -52.4 1.8 89.6 38.8 224 231 F I H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-1.1 0.970 117.9 51.4 -62.5 -57.9 -0.3 86.5 38.0 225 232 F L H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.785 103.9 55.2 -53.7 -38.8 1.7 85.6 34.9 226 233 F L H 3X S+ 0 0 30 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.3 0.805 105.5 54.9 -71.3 -22.6 5.1 85.6 36.5 227 234 F E H X S+ 0 0 35 -4,-1.9 3,-2.7 -5,-0.2 4,-2.3 0.997 110.6 47.0 -59.0 -67.4 11.2 68.2 37.8 239 246 F L H 3X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.738 101.4 69.7 -44.7 -30.8 9.7 66.4 34.8 240 247 F D H 3< S+ 0 0 46 -4,-1.1 -1,-0.3 -5,-0.2 12,-0.3 0.801 116.0 21.1 -61.6 -30.1 13.2 66.4 33.3 241 248 F L H << S+ 0 0 26 -3,-2.7 -2,-0.2 -4,-0.7 -1,-0.2 0.745 137.9 29.7-108.5 -35.5 14.4 63.9 35.9 242 249 F F H < S+ 0 0 43 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.323 99.9 100.9-108.8 7.0 11.3 62.2 37.2 243 250 F G S < S- 0 0 25 -4,-1.6 9,-0.1 -5,-0.4 -3,-0.0 -0.191 75.2-110.4 -83.8 179.9 9.2 62.5 34.1 244 251 F D >> - 0 0 78 1,-0.1 4,-2.6 7,-0.0 3,-2.4 -0.932 15.0-153.3-118.3 109.1 8.4 59.8 31.4 245 252 F P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.802 94.0 62.8 -46.0 -40.3 10.1 60.4 28.0 246 253 F S H 34 S+ 0 0 102 2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.754 118.6 28.5 -61.4 -22.9 7.4 58.5 26.2 247 254 F V H <4 S+ 0 0 116 -3,-2.4 -1,-0.2 3,-0.1 -4,-0.0 0.850 125.7 41.9-100.2 -56.9 4.9 61.1 27.4 248 255 F T H < S- 0 0 42 -4,-2.6 -2,-0.2 2,-0.2 3,-0.1 0.773 95.6-139.5 -63.1 -28.9 7.0 64.3 27.8 249 256 F G < + 0 0 63 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.1 0.668 67.3 100.1 75.4 17.5 8.7 63.4 24.5 250 257 F K - 0 0 140 -6,-0.1 2,-0.6 -5,-0.1 -1,-0.2 -0.978 67.4-134.3-137.4 147.8 12.1 64.5 26.0 251 258 F I - 0 0 142 -2,-0.3 -11,-0.1 -3,-0.1 -10,-0.1 -0.901 31.2-127.0-105.1 117.4 15.1 62.9 27.5 252 259 F G + 0 0 25 -2,-0.6 -11,-0.1 -12,-0.3 -15,-0.0 -0.299 40.6 155.6 -65.3 140.2 16.3 64.5 30.6 253 260 F T > + 0 0 52 2,-0.1 4,-2.9 -2,-0.1 5,-0.2 0.096 32.7 119.3-150.6 23.7 19.9 65.6 31.1 254 261 F D T 4>S+ 0 0 22 1,-0.2 5,-2.2 2,-0.2 7,-0.2 0.883 79.2 49.4 -61.2 -42.8 19.8 68.3 33.7 255 262 F I T >45S+ 0 0 5 3,-0.2 29,-1.1 2,-0.2 3,-0.9 0.933 115.6 43.2 -64.2 -45.8 22.1 66.5 36.1 256 263 F Q T 345S+ 0 0 60 1,-0.2 -2,-0.2 28,-0.2 -1,-0.1 0.980 109.4 54.7 -63.9 -57.0 24.7 65.7 33.5 257 264 F D T 3<5S- 0 0 85 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.452 109.1-127.0 -57.9 1.2 24.6 69.2 31.9 258 265 F N T < 5 + 0 0 28 -3,-0.9 -3,-0.2 -5,-0.2 -1,-0.1 0.902 47.9 172.6 50.3 50.1 25.4 70.4 35.4 259 266 F K < - 0 0 78 -5,-2.2 2,-1.5 -6,-0.1 -1,-0.1 -0.408 47.2-110.8 -85.5 161.4 22.4 72.8 35.3 260 267 F C + 0 0 14 -2,-0.1 -1,-0.1 4,-0.1 -5,-0.1 -0.490 54.8 177.6 -89.9 63.6 21.0 74.9 38.2 261 268 F S > - 0 0 4 -2,-1.5 4,-1.2 -7,-0.2 5,-0.1 -0.170 41.9-118.0 -64.7 159.7 17.8 72.8 38.3 262 269 F W H > S+ 0 0 10 -29,-0.2 4,-1.9 2,-0.2 5,-0.2 0.915 113.8 56.1 -65.3 -42.8 15.1 73.4 40.9 263 270 F L H >> S+ 0 0 2 1,-0.2 4,-3.5 2,-0.2 3,-0.8 0.963 107.1 45.4 -52.4 -61.3 15.7 69.9 42.2 264 271 F V H 3> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.778 110.4 56.5 -57.0 -27.1 19.4 70.3 42.9 265 272 F V H 3X S+ 0 0 1 -4,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.872 113.5 39.5 -71.2 -37.2 18.6 73.7 44.5 266 273 F Q H XX S+ 0 0 5 -4,-1.9 4,-1.7 -3,-0.8 3,-0.6 0.900 110.5 59.4 -75.8 -43.9 16.3 72.0 46.9 267 274 F C H 3< S+ 0 0 0 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.806 104.3 52.7 -53.6 -33.6 18.6 69.1 47.3 268 275 F L H 3< S+ 0 0 40 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.3 0.825 108.4 48.8 -75.2 -33.0 21.2 71.5 48.6 269 276 F Q H << S+ 0 0 98 -4,-0.8 2,-2.7 -3,-0.6 -2,-0.2 0.998 111.3 46.1 -68.3 -65.7 19.0 73.0 51.3 270 277 F R S < S+ 0 0 100 -4,-1.7 2,-0.3 31,-0.0 -1,-0.3 -0.402 99.1 111.0 -74.8 63.6 17.7 69.9 52.9 271 278 F A - 0 0 32 -2,-2.7 -3,-0.1 -3,-0.5 -4,-0.0 -0.997 54.2-147.4-144.8 149.3 21.2 68.3 53.0 272 279 F T >> - 0 0 57 -2,-0.3 4,-2.2 1,-0.0 3,-1.5 -0.771 43.9 -94.3-110.4 157.1 23.8 67.3 55.5 273 280 F P H 3> S+ 0 0 107 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.740 128.2 50.4 -38.6 -32.7 27.6 67.4 55.0 274 281 F E H 3> S+ 0 0 110 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.861 109.9 48.5 -76.9 -38.1 27.4 63.7 54.0 275 282 F Q H <> S+ 0 0 35 -3,-1.5 4,-2.3 2,-0.2 3,-0.4 0.946 113.4 47.5 -64.7 -51.2 24.7 64.3 51.4 276 283 F Y H X S+ 0 0 73 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.883 103.8 60.4 -59.2 -43.2 26.5 67.3 49.9 277 284 F Q H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.885 110.5 42.7 -54.4 -39.0 29.8 65.4 49.7 278 285 F I H >X S+ 0 0 41 -4,-1.2 3,-1.6 -3,-0.4 4,-1.1 0.939 115.6 46.6 -72.8 -49.0 28.1 62.8 47.4 279 286 F L H >X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.3 3,-1.2 0.953 108.1 55.5 -57.5 -52.1 26.2 65.3 45.3 280 287 F K H 3< S+ 0 0 120 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.492 111.1 50.4 -61.6 1.4 29.3 67.5 44.9 281 288 F E H <4 S+ 0 0 128 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.642 116.8 31.3-113.5 -22.3 30.9 64.3 43.6 282 289 F N H X< S+ 0 0 17 -3,-1.2 3,-0.7 -4,-1.1 2,-0.6 0.282 87.9 109.8-121.2 10.1 28.4 63.0 40.9 283 290 F Y T 3< S+ 0 0 5 -4,-1.3 -27,-0.1 1,-0.2 3,-0.1 -0.789 85.5 14.0 -93.8 121.9 26.9 66.2 39.6 284 291 F G T 3 S+ 0 0 25 -29,-1.1 2,-0.3 -2,-0.6 -1,-0.2 0.555 92.4 134.7 95.1 10.9 27.9 67.1 36.0 285 292 F Q < - 0 0 55 -3,-0.7 -1,-0.3 2,-0.1 -27,-0.1 -0.732 54.9-143.7 -95.0 141.6 29.3 63.7 35.2 286 293 F K + 0 0 181 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.217 65.6 117.4 -86.9 15.8 28.6 61.9 32.0 287 294 F E > - 0 0 66 1,-0.1 4,-2.4 -5,-0.1 5,-0.2 -0.748 61.8-148.5 -89.4 125.0 28.5 58.6 33.8 288 295 F A H > S+ 0 0 92 -2,-0.5 4,-0.9 1,-0.2 -1,-0.1 0.679 103.0 54.7 -61.5 -15.1 25.2 56.7 33.7 289 296 F E H > S+ 0 0 150 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.924 108.9 41.9 -82.0 -52.5 26.5 55.4 37.1 290 297 F K H > S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.797 112.2 56.1 -67.4 -31.1 27.1 58.8 38.8 291 298 F V H >X S+ 0 0 23 -4,-2.4 4,-1.9 1,-0.2 3,-0.6 0.958 104.3 51.6 -66.3 -49.9 23.9 60.3 37.4 292 299 F A H 3X S+ 0 0 59 -4,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.732 105.1 60.1 -59.4 -21.2 21.7 57.5 38.9 293 300 F R H 3X S+ 0 0 94 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.905 103.8 47.0 -74.1 -42.2 23.4 58.3 42.2 294 301 F V H X S+ 0 0 76 -4,-1.9 4,-2.4 1,-0.2 3,-0.7 0.920 106.7 51.8 -58.4 -43.9 18.7 60.8 41.4 296 303 F A H 3X S+ 0 0 37 -4,-1.6 4,-3.1 1,-0.3 -1,-0.2 0.880 105.7 54.1 -60.4 -40.6 18.8 58.5 44.3 297 304 F L H 3X S+ 0 0 1 -4,-1.7 4,-0.5 2,-0.2 -1,-0.3 0.721 109.2 50.6 -67.0 -21.5 19.8 61.3 46.7 298 305 F Y H X<>S+ 0 0 1 -4,-1.1 5,-1.9 -3,-0.7 3,-0.9 0.940 112.2 43.3 -80.1 -52.1 16.8 63.3 45.4 299 306 F E H ><5S+ 0 0 105 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.929 111.4 57.8 -57.2 -44.0 14.3 60.5 46.0 300 307 F E H 3<5S+ 0 0 111 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.766 104.9 50.6 -58.1 -27.4 16.0 59.9 49.3 301 308 F L T <<5S- 0 0 27 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.313 113.2-118.3 -95.2 10.5 15.3 63.5 50.3 302 309 F D T X>5 + 0 0 109 -3,-2.3 4,-2.0 -4,-0.1 3,-0.6 0.728 63.9 148.3 62.1 22.4 11.6 63.2 49.4 303 310 F L H 3>< + 0 0 0 -5,-1.9 4,-2.5 1,-0.2 -4,-0.1 0.884 66.9 58.2 -55.2 -41.8 12.1 65.9 46.8 304 311 F P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 109.7 45.6 -55.4 -37.8 9.4 64.4 44.5 305 312 F A H <> S+ 0 0 50 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.845 108.4 56.2 -71.4 -36.3 7.1 64.8 47.5 306 313 F V H X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.850 107.0 51.4 -64.2 -34.6 8.4 68.3 47.9 307 314 F F H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.988 108.5 48.2 -65.9 -58.8 7.4 69.0 44.4 308 315 F L H X S+ 0 0 84 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.893 111.8 51.0 -48.3 -45.8 3.8 67.8 44.7 309 316 F Q H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.948 111.4 47.8 -58.3 -46.7 3.5 69.8 47.8 310 317 F Y H X S+ 0 0 40 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.883 110.9 51.3 -60.7 -41.0 4.8 72.9 45.9 311 318 F E H X S+ 0 0 40 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.936 109.2 50.9 -61.3 -48.6 2.4 72.2 43.0 312 319 F E H X S+ 0 0 100 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.961 114.9 41.7 -53.8 -57.0 -0.5 72.0 45.4 313 320 F D H X S+ 0 0 88 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.952 113.2 55.6 -56.7 -49.7 0.3 75.3 47.1 314 321 F S H X S+ 0 0 5 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.926 105.3 49.3 -47.2 -59.6 1.1 76.9 43.7 315 322 F Y H X S+ 0 0 112 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.868 113.0 49.2 -51.0 -40.7 -2.2 76.1 42.1 316 323 F S H X S+ 0 0 79 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.966 112.1 46.8 -64.9 -51.8 -4.0 77.6 45.2 317 324 F H H X S+ 0 0 87 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.900 111.7 50.3 -57.5 -45.4 -1.9 80.7 45.2 318 325 F I H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.963 111.0 49.0 -58.8 -51.1 -2.3 81.3 41.4 319 326 F M H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.844 110.7 51.8 -56.9 -34.5 -6.1 80.9 41.7 320 327 F A H < S+ 0 0 45 -4,-2.1 4,-0.3 2,-0.2 -1,-0.3 0.906 111.7 46.2 -68.7 -40.4 -6.0 83.3 44.6 321 328 F L H >X S+ 0 0 14 -4,-2.5 4,-3.2 1,-0.2 3,-1.0 0.898 112.5 50.6 -67.5 -40.8 -4.1 85.8 42.5 322 329 F I H 3X S+ 0 0 6 -4,-3.2 4,-1.6 1,-0.2 5,-0.3 0.910 105.3 55.8 -64.7 -42.0 -6.5 85.2 39.6 323 330 F E H 3< S+ 0 0 172 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.588 120.4 32.3 -68.3 -5.9 -9.6 85.8 41.8 324 331 F Q H <4 S+ 0 0 132 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.707 128.8 27.3-121.3 -33.8 -8.1 89.2 42.7 325 332 F Y H < S+ 0 0 54 -4,-3.2 4,-0.3 -5,-0.1 -3,-0.2 0.485 92.5 91.3-112.1 -0.7 -6.1 90.6 39.8 326 333 F A >< + 0 0 4 -4,-1.6 3,-2.0 -5,-0.4 -3,-0.1 0.950 67.9 120.1 -56.0 -53.2 -7.8 89.0 36.8 327 334 F A T 3 + 0 0 69 1,-0.4 -107,-0.0 -5,-0.3 -3,-0.0 -0.257 66.4 27.5 -59.7 146.1 -10.3 91.9 36.4 328 335 F P T 3 S+ 0 0 100 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.982 119.8 75.4 -71.6 4.4 -10.9 93.9 34.2 329 336 F L S < S- 0 0 11 -3,-2.0 -265,-0.0 -4,-0.3 5,-0.0 -0.509 95.1-103.1 -82.0 148.8 -9.6 90.9 32.3 330 337 F P >> - 0 0 51 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.553 24.1-135.1 -68.5 124.5 -11.7 87.7 31.8 331 338 F P H >> S+ 0 0 70 0, 0.0 4,-2.8 0, 0.0 3,-0.8 0.801 100.7 74.9 -49.8 -30.6 -10.5 85.1 34.3 332 339 F A H 3> S+ 0 0 48 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.757 85.7 62.7 -54.5 -29.6 -10.7 82.6 31.3 333 340 F V H <> S+ 0 0 7 -3,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.918 114.6 30.7 -63.7 -45.0 -7.6 84.2 29.9 334 341 F F H X S+ 0 0 9 -4,-0.8 4,-1.8 1,-0.2 3,-1.7 0.918 109.7 52.0 -67.6 -45.0 -3.1 79.0 30.7 338 345 F A H 3X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.894 107.9 52.8 -58.6 -39.1 -3.1 77.4 34.1 339 346 F R H 3< S+ 0 0 226 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.472 108.1 54.1 -75.4 -0.8 -4.9 74.4 32.7 340 347 F K H <4 S+ 0 0 75 -3,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.782 117.4 31.3-100.1 -37.6 -2.2 74.2 30.1 341 348 F I H < S+ 0 0 7 -4,-1.8 2,-2.3 1,-0.2 -2,-0.2 0.814 102.3 75.3 -92.5 -34.0 0.8 74.1 32.5 342 349 F Y < 0 0 27 -4,-2.9 -1,-0.2 -5,-0.3 -4,-0.0 -0.490 360.0 360.0 -80.7 76.7 -0.7 72.3 35.4 343 350 F K 0 0 162 -2,-2.3 -2,-0.1 -3,-0.1 -3,-0.1 -0.064 360.0 360.0 -67.3 360.0 -0.7 68.9 33.7