==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-09 3ICM . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.M.AMZEL,C.H.HUANG,S.B.GABELLI,E.OLDFIELD . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 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 . 3 0.8 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 1 0 0 0 1 2 0 1 0 3 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 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 1 A M > 0 0 189 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -59.7 7.8 -6.5 155.5 2 2 A A H > + 0 0 61 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.915 360.0 50.0 -58.2 -43.1 9.8 -8.7 157.8 3 3 A S H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.922 107.6 52.7 -65.3 -43.1 12.9 -6.5 157.1 4 4 A M H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 106.5 53.6 -57.1 -41.2 11.0 -3.3 157.9 5 5 A E H X S+ 0 0 122 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.834 108.8 50.3 -60.7 -32.4 10.0 -4.9 161.3 6 6 A R H X S+ 0 0 148 -4,-1.4 4,-1.0 -3,-0.3 3,-0.2 0.858 108.0 51.2 -71.1 -40.4 13.7 -5.5 161.9 7 7 A F H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.894 111.1 50.6 -58.4 -41.0 14.5 -1.8 161.0 8 8 A L H X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.678 100.8 60.2 -72.9 -23.6 11.7 -0.8 163.5 9 9 A S H X S+ 0 0 64 -4,-0.7 4,-1.6 -3,-0.2 -1,-0.2 0.781 104.5 51.7 -74.8 -27.3 13.2 -3.0 166.2 10 10 A V H X S+ 0 0 11 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.846 104.6 55.4 -75.2 -31.7 16.3 -0.9 165.9 11 11 A Y H X S+ 0 0 1 -4,-1.2 4,-3.2 2,-0.2 5,-0.2 0.939 107.6 51.0 -58.2 -47.6 14.1 2.3 166.3 12 12 A D H X S+ 0 0 96 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.864 109.9 47.9 -59.0 -42.3 12.8 0.8 169.6 13 13 A E H X S+ 0 0 85 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.933 114.8 46.9 -61.0 -46.2 16.4 0.1 170.8 14 14 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 111.3 50.0 -62.6 -45.1 17.4 3.7 169.8 15 15 A Q H X S+ 0 0 23 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.936 112.2 49.3 -58.3 -45.2 14.3 5.2 171.4 16 16 A A H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.926 110.8 48.9 -61.7 -48.2 15.0 3.3 174.6 17 17 A F H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.956 114.2 45.8 -53.9 -49.0 18.6 4.4 174.6 18 18 A L H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.869 116.0 44.4 -66.1 -40.2 17.7 8.1 174.1 19 19 A L H X S+ 0 0 24 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.802 111.7 50.7 -79.1 -36.0 14.9 8.1 176.7 20 20 A D H X S+ 0 0 107 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.909 109.2 53.0 -67.0 -39.9 16.8 6.3 179.4 21 21 A Q H X>S+ 0 0 37 -4,-2.5 4,-2.3 -5,-0.3 5,-0.6 0.849 104.7 55.7 -59.2 -38.4 19.8 8.7 178.9 22 22 A L H X5S+ 0 0 26 -4,-1.4 6,-2.2 3,-0.2 4,-1.1 0.893 113.5 41.3 -56.8 -42.1 17.3 11.6 179.4 23 23 A Q H <5S+ 0 0 133 -4,-1.4 4,-0.4 4,-0.2 -2,-0.2 0.934 121.9 39.2 -73.2 -42.9 16.3 10.0 182.8 24 24 A S H <5S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.682 134.3 16.0 -81.0 -21.7 19.9 9.0 183.8 25 25 A K H <5S+ 0 0 134 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.524 124.5 45.7-128.6 -18.3 21.8 12.1 182.6 26 26 A Y S < - 0 0 50 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.661 27.4-106.2 -95.8 158.5 10.7 13.4 184.7 30 30 A P H > S+ 0 0 96 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.776 115.8 54.6 -52.3 -35.0 8.4 10.7 183.5 31 31 A N H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.903 110.5 42.9 -74.7 -38.0 5.8 13.1 182.0 32 32 A R H > S+ 0 0 165 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.847 112.3 55.8 -72.0 -34.4 8.3 15.0 179.8 33 33 A A H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 109.4 47.6 -56.9 -46.5 9.9 11.6 178.8 34 34 A R H X S+ 0 0 139 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 109.5 50.9 -61.3 -48.9 6.4 10.5 177.7 35 35 A Y H X S+ 0 0 62 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 113.3 47.2 -54.4 -41.9 5.8 13.8 175.7 36 36 A L H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.843 109.6 52.5 -73.5 -35.3 9.2 13.2 174.0 37 37 A R H X S+ 0 0 94 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.921 112.7 45.0 -62.0 -46.6 8.5 9.5 173.2 38 38 A I H X S+ 0 0 48 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.916 113.3 50.4 -65.4 -45.3 5.1 10.6 171.6 39 39 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.937 112.6 47.1 -53.7 -48.0 6.9 13.4 169.7 40 40 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.971 114.9 46.2 -63.1 -47.9 9.5 10.9 168.5 41 41 A D H X S+ 0 0 48 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.863 115.8 46.0 -60.1 -36.2 6.8 8.4 167.5 42 42 A T H < S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 120.5 35.6 -83.0 -32.8 4.7 11.0 165.8 43 43 A T H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.705 125.0 37.2 -93.8 -21.4 7.3 12.7 163.8 44 44 A C H < S+ 0 0 0 -4,-2.3 3,-0.3 -5,-0.3 2,-0.2 0.668 109.0 59.8-106.7 -24.3 9.7 9.7 162.9 45 45 A L S < S+ 0 0 43 -4,-1.3 3,-0.1 -5,-0.4 4,-0.0 -0.598 78.8 52.4-104.0 163.1 7.2 6.9 162.3 46 46 A G S S+ 0 0 56 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.270 82.2 107.0 99.7 -10.5 4.3 6.4 159.8 47 47 A G S S- 0 0 22 -3,-0.3 -1,-0.3 1,-0.0 -3,-0.0 -0.023 87.3 -98.9 -81.5-168.7 6.3 7.2 156.7 48 48 A K - 0 0 98 -3,-0.1 -1,-0.0 -2,-0.0 5,-0.0 0.636 42.8-135.8 -85.4 -17.5 7.6 4.8 154.0 49 49 A Y > + 0 0 17 3,-0.1 4,-2.7 39,-0.0 5,-0.2 0.767 52.9 148.3 61.9 34.2 11.1 4.6 155.5 50 50 A F H > + 0 0 23 2,-0.2 4,-1.4 1,-0.2 306,-0.0 0.931 67.3 44.2 -66.4 -46.7 12.5 5.0 152.1 51 51 A R H > S+ 0 0 13 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.956 117.8 44.8 -60.7 -52.6 15.7 6.9 153.1 52 52 A G H >> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.943 113.1 50.2 -56.2 -50.9 16.4 4.6 156.1 53 53 A M H 3X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.707 101.9 62.4 -66.3 -23.8 15.7 1.4 154.2 54 54 A T H 3X S+ 0 0 3 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.3 0.890 100.3 52.7 -63.8 -43.3 18.0 2.4 151.4 55 55 A V H X S+ 0 0 21 -4,-2.0 4,-0.5 -3,-0.2 3,-0.5 0.923 109.1 44.1 -60.1 -52.4 23.9 -5.8 148.7 62 62 A F H >< S+ 0 0 19 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.854 108.9 59.6 -59.8 -36.1 27.6 -5.7 149.7 63 63 A L H 3< S+ 0 0 23 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.767 96.0 60.8 -61.1 -31.3 27.0 -8.4 152.3 64 64 A A H << S+ 0 0 89 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.749 117.0 30.3 -70.1 -27.0 25.9 -11.0 149.7 65 65 A V S << S+ 0 0 100 -3,-0.8 2,-0.4 -4,-0.5 -1,-0.2 0.282 105.8 80.2-114.8 6.5 29.2 -10.8 147.9 66 66 A T S S- 0 0 56 -4,-0.5 2,-0.4 -3,-0.4 0, 0.0 -0.958 75.5-122.5-125.9 131.6 31.7 -10.0 150.7 67 67 A Q + 0 0 163 -2,-0.4 2,-0.3 6,-0.0 -3,-0.1 -0.610 45.5 149.2 -77.3 129.8 33.2 -12.5 153.1 68 68 A H - 0 0 44 -2,-0.4 2,-0.1 -5,-0.1 -2,-0.0 -0.985 48.6 -99.6-148.0 157.9 32.7 -11.7 156.8 69 69 A D > - 0 0 118 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.374 42.0-110.0 -65.3 159.4 32.2 -13.5 160.1 70 70 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.906 120.1 54.2 -56.4 -44.0 28.6 -13.9 161.2 71 71 A A H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 108.8 48.4 -58.0 -44.7 29.2 -11.4 164.0 72 72 A T H > S+ 0 0 33 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.843 107.7 54.8 -65.3 -42.7 30.5 -8.8 161.5 73 73 A K H X S+ 0 0 54 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.982 110.6 47.3 -47.3 -59.4 27.4 -9.4 159.3 74 74 A E H X S+ 0 0 111 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.765 111.8 48.6 -55.5 -38.3 25.2 -8.6 162.3 75 75 A R H X S+ 0 0 88 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.907 110.1 52.4 -68.9 -45.7 27.1 -5.5 163.3 76 76 A I H X S+ 0 0 4 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.895 111.3 45.9 -58.0 -43.1 27.0 -4.2 159.7 77 77 A L H X S+ 0 0 62 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.851 113.2 50.2 -65.2 -43.0 23.2 -4.6 159.5 78 78 A H H X S+ 0 0 52 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.8 48.5 -65.8 -43.3 22.7 -3.0 162.9 79 79 A D H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.760 109.1 53.1 -63.2 -35.7 24.9 -0.0 161.9 80 80 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -24,-0.2 0.843 110.1 49.9 -67.6 -37.1 23.0 0.4 158.6 81 81 A C H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.956 112.3 45.1 -64.4 -51.9 19.8 0.4 160.7 82 82 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 114.3 49.9 -55.5 -49.6 21.2 3.1 163.1 83 83 A G H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.909 109.3 52.0 -54.2 -49.0 22.5 5.1 160.1 84 84 A G H >X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.5 0.930 109.1 49.8 -51.4 -51.2 19.0 4.8 158.5 85 85 A W H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 5,-0.3 0.868 103.3 59.7 -62.3 -34.1 17.3 6.1 161.6 86 86 A M H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.901 109.4 45.0 -56.6 -39.9 19.8 9.1 161.7 87 87 A I H S+ 0 0 4 -4,-2.5 5,-2.3 2,-0.2 4,-0.4 0.893 107.4 49.8 -57.5 -44.1 5.1 22.3 158.2 100 100 A I H ><5S+ 0 0 37 -4,-1.4 3,-1.3 3,-0.2 -1,-0.2 0.962 114.8 44.0 -52.1 -51.3 5.3 25.5 160.4 101 101 A M H 3<5S+ 0 0 103 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.747 115.9 45.7 -71.8 -25.0 6.9 27.5 157.5 102 102 A D T 3<5S- 0 0 16 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.435 106.3-125.4 -94.0 6.2 4.4 26.2 154.8 103 103 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.871 49.4 178.6 42.8 45.0 1.4 26.8 157.2 104 104 A S < - 0 0 10 -5,-2.3 -1,-0.1 -6,-0.2 8,-0.1 -0.359 28.3-165.2 -77.6 158.4 0.6 23.1 156.5 105 105 A V + 0 0 67 160,-0.3 7,-1.6 1,-0.3 2,-0.3 0.778 65.0 32.4-111.5 -40.1 -2.3 21.2 158.1 106 106 A M E +A 111 0A 37 5,-0.3 159,-0.6 159,-0.2 2,-0.3 -0.946 52.1 178.4-127.7 150.3 -1.8 17.4 157.6 107 107 A R E > S-A 110 0A 45 3,-3.3 3,-1.7 -2,-0.3 157,-0.2 -0.949 73.6 -7.5-153.6 130.8 1.2 15.1 157.5 108 108 A R T 3 S- 0 0 70 -2,-0.3 156,-0.2 1,-0.3 155,-0.1 0.854 131.2 -54.9 47.2 41.4 1.3 11.2 157.1 109 109 A G T 3 S+ 0 0 40 154,-3.2 -1,-0.3 1,-0.2 155,-0.1 0.457 125.9 84.5 74.8 6.4 -2.5 11.3 157.5 110 110 A K E < S-A 107 0A 141 -3,-1.7 -3,-3.3 153,-0.4 -1,-0.2 -0.788 92.5 -75.5-127.3 169.2 -2.5 13.2 160.8 111 111 A P E -A 106 0A 70 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.401 61.9 -94.3 -60.3 149.3 -2.3 16.9 161.8 112 112 A C > - 0 0 0 -7,-1.6 3,-1.6 1,-0.1 4,-0.5 -0.308 41.8-106.8 -53.8 150.2 1.2 18.4 161.5 113 113 A W G > S+ 0 0 12 1,-0.3 3,-2.0 2,-0.2 7,-0.4 0.875 119.6 56.0 -52.1 -45.7 3.0 18.2 164.8 114 114 A Y G 3 S+ 0 0 29 1,-0.3 6,-0.9 -18,-0.2 -1,-0.3 0.778 102.5 58.5 -63.1 -23.7 2.7 21.9 165.5 115 115 A R G < S+ 0 0 120 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.528 73.1 115.3 -82.1 -9.4 -1.1 21.6 165.1 116 116 A F S X> S- 0 0 54 -3,-2.0 3,-1.8 -4,-0.5 4,-1.2 -0.447 75.9-126.6 -57.1 136.8 -1.4 19.0 167.9 117 117 A P T 34 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.874 108.0 45.7 -60.4 -38.8 -3.5 20.9 170.5 118 118 A G T 34 S+ 0 0 68 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.235 115.4 50.3 -87.4 11.8 -1.0 20.3 173.3 119 119 A V T <> S+ 0 0 5 -3,-1.8 4,-0.9 -5,-0.1 -5,-0.1 0.770 70.8 169.1-108.9 -75.5 2.0 21.2 171.1 120 120 A T H >X - 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0 0 3 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.833 44.6-177.0 59.3 37.9 2.8 30.6 145.3 273 273 A K < - 0 0 10 -5,-2.7 2,-2.3 -6,-0.2 -1,-0.2 -0.336 37.9-121.4 -69.9 140.9 5.5 27.8 145.2 274 274 A C + 0 0 6 -104,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.560 55.5 168.3 -70.9 75.4 7.8 27.6 142.2 275 275 A S > - 0 0 5 -2,-2.3 4,-2.1 -7,-0.1 5,-0.2 -0.374 51.2-107.4 -85.9 169.7 6.6 24.0 141.6 276 276 A W H > S+ 0 0 20 -29,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 119.6 54.5 -61.5 -41.7 7.3 21.8 138.5 277 277 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 109.5 45.1 -58.8 -50.3 3.7 22.3 137.4 278 278 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 116.3 46.6 -62.9 -40.3 3.8 26.1 137.5 279 279 A V H < S+ 0 0 8 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.916 114.7 46.2 -67.0 -39.4 7.2 26.2 135.7 280 280 A T H >< S+ 0 0 21 -4,-2.8 3,-0.9 2,-0.2 -2,-0.2 0.913 110.6 52.2 -74.1 -41.9 6.1 23.7 133.1 281 281 A F H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 3,-1.8 0.944 108.7 51.0 -56.4 -51.8 2.8 25.5 132.4 282 282 A L T 3< S+ 0 0 39 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.577 103.8 61.3 -63.8 -12.6 4.6 28.8 131.9 283 283 A G T <4 S+ 0 0 69 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.410 120.1 21.1 -92.0 3.3 7.0 27.1 129.5 284 284 A K T <4 S+ 0 0 95 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.471 94.1 113.3-142.7 -14.5 4.2 26.2 127.1 285 285 A A < - 0 0 20 -4,-1.9 2,-0.1 -5,-0.2 30,-0.0 -0.258 60.5-124.3 -71.4 151.0 1.2 28.5 127.8 286 286 A N > - 0 0 89 1,-0.1 4,-2.2 4,-0.0 3,-0.5 -0.328 39.6 -89.2 -81.9 175.3 0.0 31.1 125.3 287 287 A A H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.866 126.0 48.5 -55.9 -35.9 -0.3 34.8 126.2 288 288 A A H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.793 110.0 51.1 -79.5 -28.7 -3.9 34.5 127.5 289 289 A Q H > S+ 0 0 39 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.943 109.5 50.0 -70.8 -50.4 -3.2 31.5 129.6 290 290 A V H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.894 109.7 52.8 -49.1 -45.7 -0.2 33.2 131.2 291 291 A A H X S+ 0 0 63 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.863 113.2 42.3 -63.3 -41.7 -2.4 36.3 132.0 292 292 A E H X S+ 0 0 73 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.766 111.1 55.1 -77.8 -31.5 -5.0 34.2 133.7 293 293 A F H >X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 3,-1.2 0.966 110.4 46.8 -60.0 -51.0 -2.4 32.1 135.6 294 294 A K H 3< S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.775 106.9 60.0 -63.3 -27.6 -1.0 35.4 136.9 295 295 A A H 3< S+ 0 0 59 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.740 120.1 21.9 -69.9 -23.8 -4.6 36.6 137.8 296 296 A N H X< S+ 0 0 27 -3,-1.2 3,-0.8 -4,-0.9 -2,-0.2 0.547 90.4 113.1-123.2 -13.5 -5.2 33.6 140.2 297 297 A Y T 3< S+ 0 0 8 -4,-2.0 -27,-0.1 1,-0.2 -28,-0.1 -0.428 75.9 18.2 -72.3 137.8 -1.9 32.1 141.4 298 298 A G T 3 S+ 0 0 16 -29,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.702 88.1 121.8 81.1 21.6 -0.8 32.3 145.1 299 299 A D < - 0 0 77 -3,-0.8 -1,-0.2 2,-0.2 6,-0.2 -0.966 62.4-137.3-113.5 137.5 -4.1 33.2 146.8 300 300 A K + 0 0 172 -2,-0.4 -30,-0.1 -30,-0.2 -29,-0.1 0.492 68.3 121.6 -68.7 -1.3 -5.8 31.0 149.5 301 301 A D >> - 0 0 68 1,-0.1 4,-2.4 -5,-0.1 3,-1.1 -0.512 63.8-139.4 -65.2 115.3 -9.1 31.5 147.7 302 302 A P H 3> S+ 0 0 104 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.751 100.6 47.8 -42.8 -39.0 -10.8 28.2 146.7 303 303 A A H 3> S+ 0 0 60 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.734 110.9 50.2 -85.0 -23.8 -12.0 29.4 143.3 304 304 A K H X> S+ 0 0 73 -3,-1.1 4,-1.9 2,-0.2 3,-0.7 0.925 111.4 49.2 -70.6 -48.5 -8.6 31.0 142.4 305 305 A V H 3X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 110.1 52.4 -51.7 -45.2 -6.9 27.7 143.3 306 306 A A H 3X S+ 0 0 58 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.735 104.5 55.4 -68.8 -24.9 -9.5 25.9 141.1 307 307 A V H S+ 0 0 1 -4,-2.2 5,-1.5 2,-0.2 6,-0.2 0.914 111.2 46.1 -61.5 -47.7 -2.9 22.9 134.5 313 313 A S H ><5S+ 0 0 69 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.836 112.1 52.2 -65.0 -34.3 -5.3 20.2 133.2 314 314 A E H 3<5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 104.6 54.4 -73.5 -29.3 -5.9 22.3 129.9 315 315 A A T 3<5S- 0 0 7 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.408 108.7-127.9 -83.1 1.4 -2.1 22.6 129.3 316 316 A N T X>5 + 0 0 108 -3,-0.7 3,-0.7 -4,-0.2 4,-0.6 0.933 47.6 163.5 51.6 55.8 -1.9 18.8 129.5 317 317 A L H >>< + 0 0 1 -5,-1.5 4,-3.0 1,-0.3 3,-0.8 0.824 63.9 73.6 -75.0 -30.8 0.9 18.8 132.1 318 318 A Q H 34 S+ 0 0 127 1,-0.3 -1,-0.3 -6,-0.2 -2,-0.1 0.108 103.6 44.3 -69.6 27.1 0.2 15.2 133.0 319 319 A A H <> S+ 0 0 56 -3,-0.7 4,-1.3 -2,-0.2 -1,-0.3 0.333 104.9 56.3-143.8 -19.9 1.8 14.5 129.6 320 320 A D H S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 110.8 49.8 -70.5 -39.5 5.2 11.6 131.0 323 323 A A H X S+ 0 0 65 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.806 113.6 46.3 -63.3 -36.6 7.8 13.1 128.6 324 324 A Y H X S+ 0 0 38 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.923 110.7 51.8 -74.8 -46.0 10.0 14.1 131.6 325 325 A E H X S+ 0 0 54 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.894 109.2 52.7 -53.9 -43.9 9.6 10.7 133.2 326 326 A A H X S+ 0 0 59 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 108.8 46.9 -62.7 -45.2 10.7 9.2 129.9 327 327 A E H X S+ 0 0 80 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.909 113.6 51.2 -61.8 -39.8 13.8 11.3 129.6 328 328 A V H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.941 105.6 52.9 -62.4 -50.1 14.6 10.4 133.3 329 329 A V H X S+ 0 0 35 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.934 111.5 49.9 -49.4 -45.3 14.2 6.6 132.7 330 330 A R H X S+ 0 0 173 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.916 113.9 42.1 -54.5 -53.3 16.7 7.0 129.9 331 331 A E H X S+ 0 0 88 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.809 113.5 51.4 -74.0 -33.4 19.3 8.9 131.9 332 332 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.915 109.2 50.3 -68.0 -49.2 19.0 6.8 135.1 333 333 A E H X S+ 0 0 113 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.929 110.3 51.8 -53.2 -45.7 19.5 3.6 133.1 334 334 A S H X S+ 0 0 67 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.869 111.5 45.7 -59.4 -44.6 22.6 5.2 131.5 335 335 A L H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.885 110.7 52.9 -65.6 -41.4 24.0 6.1 134.9 336 336 A I H X S+ 0 0 14 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.930 108.9 50.6 -58.6 -46.8 23.2 2.6 136.3 337 337 A E H X S+ 0 0 107 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.917 109.7 50.4 -54.6 -47.5 25.1 1.1 133.3 338 338 A Q H >< S+ 0 0 113 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.883 110.0 49.8 -62.2 -35.0 28.1 3.4 134.1 339 339 A L H >X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 3,-0.8 0.763 95.5 72.9 -69.5 -32.4 28.0 2.3 137.8 340 340 A K H 3< S+ 0 0 110 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 85.2 70.4 -50.0 -29.8 28.0 -1.4 136.7 341 341 A V T << S+ 0 0 114 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.866 114.1 18.7 -62.1 -43.5 31.7 -0.9 135.7 342 342 A K T <4 S+ 0 0 130 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.697 139.2 17.1-101.4 -22.4 33.1 -0.7 139.2 343 343 A S X - 0 0 8 -4,-2.1 4,-2.2 1,-0.1 -1,-0.2 -0.687 46.9-179.1-156.6 98.5 30.3 -2.2 141.3 344 344 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.855 90.8 57.0 -56.2 -39.5 27.5 -4.4 140.0 345 345 A T H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.871 108.8 42.0 -63.1 -46.2 26.1 -4.6 143.5 346 346 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 111.7 56.4 -71.9 -41.1 25.8 -0.8 144.1 347 347 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 -8,-0.3 -2,-0.2 0.881 109.5 47.2 -50.3 -44.9 24.4 -0.4 140.5 348 348 A E H X S+ 0 0 120 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.901 107.8 54.6 -66.0 -45.1 21.7 -2.9 141.5 349 349 A S H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.905 111.1 46.6 -52.8 -44.2 21.0 -1.1 144.8 350 350 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.898 107.5 55.6 -66.0 -41.0 20.5 2.0 142.7 351 351 A A H X S+ 0 0 31 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 110.3 47.2 -54.6 -46.8 18.2 0.1 140.2 352 352 A V H X S+ 0 0 32 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.892 111.0 50.4 -59.6 -43.4 16.1 -0.9 143.2 353 353 A V H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.937 112.4 47.5 -63.3 -44.3 16.1 2.7 144.5 354 354 A W H X S+ 0 0 19 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.923 111.4 51.3 -58.8 -45.6 15.0 4.0 141.1 355 355 A E H X S+ 0 0 90 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.956 108.7 49.1 -57.6 -54.7 12.3 1.3 140.9 356 356 A K H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 117.6 43.7 -54.8 -35.6 10.8 2.1 144.4 357 357 A T H >< S+ 0 0 1 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.920 110.1 51.6 -76.4 -52.2 10.7 5.8 143.4 358 358 A H H 3< S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.925 113.8 45.8 -50.5 -52.6 9.3 5.5 139.8 359 359 A K T 3< S+ 0 0 131 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.441 87.7 133.4 -71.1 -4.8 6.4 3.3 141.1 360 360 A R < + 0 0 30 -3,-1.2 -3,-0.1 -5,-0.2 -4,-0.0 -0.168 29.9 175.6 -51.3 136.6 5.7 5.7 144.0 361 361 A K 0 0 171 1,-0.2 -1,-0.1 -100,-0.1 -4,-0.0 0.453 360.0 360.0-120.6 -5.7 2.1 6.8 144.6 362 362 A K 0 0 105 -99,-0.0 -1,-0.2 -105,-0.0 -100,-0.1 -0.935 360.0 360.0-155.4 360.0 2.7 8.9 147.8