==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-FEB-05 1YQ7 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.L.KAVANAGH,K.GUO,F.VON DELFT,C.ARROWSMITH,M.SUNDSTROM,A.ED . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 80.5 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 1 0 0 2 2 0 1 1 1 1 0 0 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 27 A E > 0 0 144 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -44.2 -7.0 34.2 3.4 2 28 A K H > + 0 0 42 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.685 360.0 61.6 -61.0 -20.1 -3.3 35.1 3.6 3 29 A Q H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 104.8 43.7 -72.4 -43.9 -4.0 36.1 7.2 4 30 A D H > S+ 0 0 86 -3,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.757 113.0 53.3 -75.2 -26.6 -5.1 32.6 8.3 5 31 A F H X S+ 0 0 0 -4,-1.4 4,-0.6 2,-0.2 3,-0.5 0.915 109.7 47.1 -71.7 -45.2 -2.2 31.0 6.3 6 32 A V H < S+ 0 0 52 -4,-1.5 3,-0.5 1,-0.2 4,-0.3 0.807 108.7 55.0 -68.1 -32.4 0.4 33.1 8.1 7 33 A Q H >< S+ 0 0 151 -4,-1.6 3,-0.8 1,-0.2 4,-0.4 0.752 99.2 61.9 -71.4 -23.5 -1.1 32.4 11.5 8 34 A H H >X S+ 0 0 27 -4,-0.7 4,-1.3 -3,-0.5 3,-0.8 0.725 87.3 76.3 -74.0 -20.3 -0.8 28.7 10.9 9 35 A F H 3X S+ 0 0 13 -4,-0.6 4,-1.4 -3,-0.5 -1,-0.2 0.789 83.5 62.1 -59.5 -31.7 3.0 29.1 10.7 10 36 A S H <> S+ 0 0 68 -3,-0.8 4,-1.2 -4,-0.3 -1,-0.2 0.863 104.5 49.4 -66.6 -30.7 3.3 29.5 14.5 11 37 A Q H <> S+ 0 0 28 -3,-0.8 4,-2.6 -4,-0.4 5,-0.2 0.863 107.4 52.8 -72.5 -38.1 2.0 25.9 14.8 12 38 A I H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.764 110.2 48.8 -70.5 -25.7 4.4 24.4 12.2 13 39 A V H X S+ 0 0 8 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.802 109.3 53.6 -80.8 -30.5 7.3 26.0 14.1 14 40 A R H >X S+ 0 0 133 -4,-1.2 3,-0.9 2,-0.2 4,-0.7 0.994 113.9 40.5 -63.2 -59.2 5.9 24.5 17.4 15 41 A V H >< S+ 0 0 27 -4,-2.6 3,-0.6 1,-0.3 -2,-0.2 0.845 114.8 52.1 -57.5 -38.6 5.7 21.0 15.9 16 42 A L H 3< S+ 0 0 2 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.797 116.0 41.9 -69.4 -24.0 9.1 21.4 14.2 17 43 A T H X< S+ 0 0 12 -4,-1.3 3,-1.1 -3,-0.9 -1,-0.2 0.374 86.9 93.1-103.0 1.3 10.6 22.5 17.5 18 44 A E T << + 0 0 126 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 0.443 60.2 89.4 -79.9 3.0 8.9 19.9 19.8 19 45 A D T 3 0 0 81 -3,-0.3 -1,-0.2 -4,-0.1 5,-0.2 0.560 360.0 360.0 -71.7 -9.2 11.9 17.5 19.4 20 46 A E < 0 0 116 -3,-1.1 3,-0.1 2,-0.1 -3,-0.0 0.016 360.0 360.0 -67.3 360.0 13.6 19.3 22.5 21 ! 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 22 50 A P > 0 0 113 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -48.8 17.1 17.8 24.4 23 51 A E T 3 + 0 0 194 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.812 360.0 57.4 -54.0 -35.2 20.9 17.5 23.7 24 52 A I T >> S+ 0 0 81 1,-0.2 4,-2.3 -5,-0.2 3,-0.5 0.092 72.9 122.0 -84.5 25.3 20.0 19.1 20.3 25 53 A G H <> S+ 0 0 16 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.900 72.5 46.6 -55.1 -49.2 18.5 22.1 22.1 26 54 A D H 3> S+ 0 0 150 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.760 111.5 52.5 -68.1 -28.2 20.7 24.7 20.5 27 55 A A H <> S+ 0 0 56 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.887 107.7 50.4 -78.4 -35.2 20.2 23.2 17.0 28 56 A I H >X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 3,-0.5 0.989 110.8 50.3 -62.2 -54.7 16.4 23.3 17.3 29 57 A A H 3X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.881 109.5 50.4 -40.5 -55.4 16.6 27.0 18.3 30 58 A R H 3X S+ 0 0 71 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.893 109.4 51.7 -55.3 -39.9 18.9 27.7 15.3 31 59 A L H S+ 0 0 0 -4,-1.9 4,-3.2 -3,-0.2 5,-0.9 0.965 112.3 44.9 -74.8 -49.4 12.5 29.4 9.7 36 64 A E H X5S+ 0 0 97 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.915 117.5 43.0 -60.0 -48.4 11.4 32.8 10.9 37 65 A Y H <5S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.921 126.7 31.4 -64.8 -38.5 14.0 34.7 9.0 38 66 A N H <5S+ 0 0 20 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.683 120.9 38.0-105.9 -22.1 13.6 32.7 5.9 39 67 A A H ><5S+ 0 0 0 -4,-3.2 3,-0.5 -5,-0.2 2,-0.2 0.810 107.2 69.3 -96.0 -37.9 10.1 31.4 5.4 40 68 A I T 3< + 0 0 24 3,-0.1 4,-2.5 35,-0.0 5,-0.3 0.656 53.3 142.2 73.8 21.8 2.9 33.4 0.3 45 73 A N H > + 0 0 47 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.882 67.5 49.5 -61.3 -39.7 1.3 33.0 -3.1 46 74 A R H > S+ 0 0 42 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.885 115.7 41.8 -70.2 -41.2 2.8 29.6 -3.7 47 75 A G H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.874 113.7 51.1 -72.8 -41.0 1.7 28.1 -0.4 48 76 A L H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.859 101.6 64.2 -61.8 -36.8 -1.8 29.8 -0.5 49 77 A T H X S+ 0 0 22 -4,-1.8 4,-2.2 -5,-0.3 5,-0.3 0.865 97.6 54.6 -55.2 -38.2 -2.2 28.3 -3.9 50 78 A V H X S+ 0 0 0 -4,-0.8 4,-1.8 -3,-0.4 -1,-0.2 0.968 114.4 41.2 -57.6 -49.1 -2.1 24.8 -2.4 51 79 A V H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.858 113.1 51.1 -71.2 -40.3 -4.9 25.8 -0.0 52 80 A V H X S+ 0 0 45 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.937 114.6 43.7 -62.5 -48.3 -7.0 27.7 -2.5 53 81 A A H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.787 108.4 59.6 -70.6 -29.5 -7.0 24.9 -5.0 54 82 A F H X S+ 0 0 6 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.939 106.5 46.9 -59.1 -47.5 -7.6 22.3 -2.3 55 83 A R H < S+ 0 0 129 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.6 46.2 -64.7 -34.6 -10.8 24.1 -1.4 56 84 A E H < S+ 0 0 75 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.741 118.4 40.5 -77.9 -25.3 -11.8 24.2 -5.1 57 85 A L H < S+ 0 0 27 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.727 103.0 73.4 -98.8 -23.3 -10.9 20.6 -5.9 58 86 A V S < S- 0 0 16 -4,-2.2 5,-0.1 -5,-0.2 145,-0.1 -0.736 88.1-106.5 -99.3 142.4 -12.2 18.8 -2.7 59 87 A E >> - 0 0 112 -2,-0.3 3,-3.7 1,-0.1 4,-0.5 -0.467 27.6-130.9 -62.5 124.6 -15.9 18.1 -1.8 60 88 A P G >4 S+ 0 0 97 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.782 108.1 63.6 -54.2 -26.2 -16.8 20.5 1.0 61 89 A R G 34 S+ 0 0 138 1,-0.2 -2,-0.1 2,-0.0 3,-0.1 0.517 104.5 47.7 -70.9 -6.9 -18.2 17.4 2.9 62 90 A K G <4 S+ 0 0 133 -3,-3.7 2,-1.6 1,-0.1 -1,-0.2 0.373 80.1 104.0-111.3 -0.3 -14.7 16.1 2.9 63 91 A Q << + 0 0 41 -3,-1.0 -1,-0.1 -4,-0.5 5,-0.1 -0.342 54.8 176.8 -81.6 53.9 -13.1 19.3 4.1 64 92 A D > - 0 0 87 -2,-1.6 4,-1.7 1,-0.1 5,-0.2 -0.074 45.7-108.5 -38.9 151.3 -12.7 18.0 7.6 65 93 A A H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.799 123.1 47.0 -62.9 -28.3 -10.9 20.4 10.0 66 94 A D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.760 107.4 52.9 -82.7 -32.9 -7.9 18.0 9.9 67 95 A S H > S+ 0 0 10 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.786 110.5 50.7 -73.2 -26.4 -7.9 17.6 6.1 68 96 A L H X S+ 0 0 33 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.825 107.9 51.9 -72.4 -39.8 -7.8 21.5 6.0 69 97 A Q H X S+ 0 0 66 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.869 106.7 52.7 -64.5 -38.6 -4.9 21.4 8.4 70 98 A R H X S+ 0 0 40 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.871 108.8 52.1 -62.7 -35.5 -3.1 19.0 6.1 71 99 A A H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.871 109.0 48.1 -67.6 -39.7 -3.7 21.5 3.3 72 100 A W H X S+ 0 0 34 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.889 113.1 49.6 -63.6 -44.9 -2.3 24.4 5.3 73 101 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 109.2 49.1 -64.8 -45.4 0.8 22.3 6.2 74 102 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.823 109.6 54.3 -66.5 -32.5 1.5 21.2 2.5 75 103 A G H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.893 108.5 47.8 -60.0 -45.9 1.2 24.8 1.4 76 104 A W H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.830 106.0 59.3 -63.1 -35.5 3.9 25.7 4.0 77 105 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.854 103.4 50.7 -58.8 -38.1 5.9 22.8 2.6 78 106 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.881 110.4 50.7 -68.6 -32.5 5.8 24.6 -0.7 79 107 A E H X S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.787 108.2 51.2 -72.4 -31.3 7.0 27.8 1.1 80 108 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.817 108.5 52.4 -73.7 -31.9 9.9 25.9 2.8 81 109 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 3,-0.4 0.987 111.9 44.8 -63.2 -57.5 11.0 24.5 -0.6 82 110 A Q H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.924 114.4 50.2 -46.9 -54.0 11.0 28.0 -2.0 83 111 A A H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.793 108.5 51.9 -56.0 -37.8 12.9 29.2 1.2 84 112 A F H X S+ 0 0 14 -4,-2.1 4,-1.6 -3,-0.4 5,-0.2 0.956 113.9 44.1 -62.6 -49.6 15.4 26.4 0.8 85 113 A F H X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.850 112.3 51.1 -66.2 -37.2 16.1 27.4 -2.8 86 114 A L H X S+ 0 0 18 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.895 106.3 53.4 -68.6 -42.5 16.2 31.1 -2.2 87 115 A V H >X S+ 0 0 7 -4,-1.6 4,-0.7 1,-0.2 3,-0.6 0.953 116.0 39.1 -56.9 -53.0 18.7 31.0 0.7 88 116 A A H 3X S+ 0 0 29 -4,-1.6 4,-1.9 1,-0.2 3,-0.5 0.837 112.7 58.1 -60.2 -37.4 21.2 29.0 -1.4 89 117 A D H 3X S+ 0 0 26 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.678 101.5 54.6 -66.5 -27.8 20.4 31.0 -4.5 90 118 A D H <<>S+ 0 0 6 -4,-1.2 5,-2.0 -3,-0.6 -1,-0.2 0.487 107.8 50.0 -87.4 -26.8 21.4 34.3 -2.8 91 119 A I H ><5S+ 0 0 35 -4,-0.7 3,-0.7 -3,-0.5 -2,-0.2 0.875 115.3 43.1 -65.2 -54.6 24.8 32.9 -1.9 92 120 A M H 3<5S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.908 120.2 40.6 -70.4 -45.0 25.3 31.7 -5.5 93 121 A D T 3<5S- 0 0 15 -4,-2.5 -1,-0.3 -5,-0.1 -3,-0.2 0.449 106.4-128.2 -68.1 -10.4 23.9 34.9 -7.1 94 122 A S T < 5 + 0 0 73 -3,-0.7 -3,-0.2 1,-0.1 2,-0.2 0.966 44.2 176.2 58.9 54.3 25.8 37.1 -4.4 95 123 A S < - 0 0 12 -5,-2.0 -1,-0.1 1,-0.1 150,-0.1 -0.511 28.4-155.3 -94.1 161.3 22.6 39.0 -3.6 96 124 A L + 0 0 97 148,-0.4 7,-1.6 1,-0.3 2,-0.3 0.774 67.4 19.0-108.9 -43.9 22.4 41.6 -0.9 97 125 A T E -A 102 0A 32 5,-0.3 2,-0.3 147,-0.3 -1,-0.3 -0.911 51.0-177.7-131.9 158.3 18.7 41.8 0.2 98 126 A R E > S-A 101 0A 40 3,-3.6 3,-1.3 -2,-0.3 145,-0.2 -0.867 73.2 -1.0-161.6 130.9 15.6 39.7 0.1 99 127 A R T 3 S- 0 0 55 142,-0.4 144,-0.2 -2,-0.3 143,-0.2 0.837 130.0 -56.2 58.9 39.7 12.1 40.4 1.3 100 128 A G T 3 S+ 0 0 67 142,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.432 124.2 81.9 78.6 0.4 13.3 43.8 2.6 101 129 A Q E < S-A 98 0A 78 -3,-1.3 -3,-3.6 141,-0.3 -1,-0.2 -0.852 91.9 -79.0-125.0 166.1 16.1 42.4 4.9 102 130 A I E -A 97 0A 68 -2,-0.3 -5,-0.3 -5,-0.3 5,-0.1 -0.374 60.0 -89.6 -65.1 137.9 19.7 41.4 4.2 103 131 A C > - 0 0 2 -7,-1.6 3,-2.7 1,-0.1 4,-0.2 -0.324 45.4-115.5 -45.3 134.8 20.1 37.9 2.7 104 132 A W G > S+ 0 0 9 1,-0.3 3,-0.9 2,-0.2 7,-0.3 0.709 112.9 53.6 -57.3 -27.0 20.4 35.6 5.8 105 133 A Y G 3 S+ 0 0 33 1,-0.3 -1,-0.3 5,-0.2 5,-0.1 0.279 97.2 63.3 -92.8 -6.4 24.0 34.6 5.0 106 134 A Q G < S+ 0 0 81 -3,-2.7 -1,-0.3 -10,-0.1 -2,-0.2 0.174 83.1 113.3 -95.2 2.6 25.1 38.1 4.7 107 135 A K S X> S- 0 0 79 -3,-0.9 3,-1.7 -4,-0.2 4,-0.7 -0.614 86.2 -99.3 -79.1 130.1 24.1 38.3 8.4 108 136 A P T 34 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.257 111.0 18.3 -41.6 122.4 27.0 38.8 10.8 109 137 A G T 34 S+ 0 0 71 -4,-0.1 -4,-0.1 1,-0.1 -3,-0.1 0.655 113.8 70.0 90.6 19.8 27.7 35.3 12.1 110 138 A V T X4 + 0 0 12 -3,-1.7 3,-2.1 -5,-0.1 4,-0.2 0.513 53.2 134.3-126.4 -70.0 26.0 33.1 9.5 111 139 A G G >< S- 0 0 28 -4,-0.7 3,-1.1 -7,-0.3 -4,-0.1 -0.297 87.3 -4.4 60.6-131.2 27.9 33.3 6.2 112 140 A L G > S+ 0 0 121 1,-0.3 3,-2.1 2,-0.1 4,-0.4 0.627 116.4 83.1 -78.1 -11.3 28.4 29.9 4.7 113 141 A D G X> S+ 0 0 106 -3,-2.1 4,-1.8 1,-0.3 3,-1.1 0.812 74.4 79.6 -56.4 -23.9 26.8 28.1 7.6 114 142 A A H <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.3 -1,-0.3 0.458 77.3 71.2 -64.6 -0.9 23.6 29.0 5.8 115 143 A I H <> S+ 0 0 90 -3,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.878 101.6 41.8 -79.7 -40.5 24.4 26.0 3.5 116 144 A N H <> S+ 0 0 109 -3,-1.1 4,-2.6 -4,-0.4 5,-0.3 0.977 113.2 55.8 -62.3 -49.9 23.5 23.7 6.3 117 145 A D H X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.886 106.9 47.6 -52.9 -47.3 20.5 26.0 7.1 118 146 A A H >X S+ 0 0 3 -4,-1.6 4,-1.8 1,-0.2 3,-0.6 0.961 111.1 52.0 -58.4 -52.6 19.1 25.7 3.6 119 147 A N H 3X S+ 0 0 80 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.871 108.0 52.3 -46.7 -44.6 19.5 21.9 3.7 120 148 A L H 3X S+ 0 0 56 -4,-2.6 4,-1.4 1,-0.2 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331 A Y H X S+ 0 0 58 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.901 106.4 55.2 -57.8 -39.9 4.8 40.5 -24.0 304 332 A E H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.902 110.6 46.1 -59.5 -40.6 2.8 40.6 -20.7 305 333 A E H X S+ 0 0 109 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.910 116.2 43.8 -66.2 -45.5 -0.3 41.3 -22.7 306 334 A D H X S+ 0 0 83 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.827 112.1 51.2 -73.0 -36.3 0.3 38.6 -25.3 307 335 A S H X S+ 0 0 7 -4,-3.1 4,-3.3 -5,-0.2 5,-0.2 0.933 108.8 53.5 -66.4 -43.1 1.4 35.9 -22.8 308 336 A Y H X S+ 0 0 100 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.925 109.2 47.4 -53.8 -50.5 -1.8 36.6 -20.8 309 337 A S H X S+ 0 0 77 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.910 114.4 48.0 -58.5 -41.3 -4.0 36.0 -23.9 310 338 A H H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.899 109.9 51.0 -67.9 -45.4 -2.0 32.8 -24.7 311 339 A I H X S+ 0 0 2 -4,-3.3 4,-1.7 2,-0.2 -1,-0.2 0.899 110.7 49.5 -58.4 -41.3 -2.3 31.5 -21.1 312 340 A M H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.842 108.6 52.5 -70.2 -33.5 -6.1 32.1 -21.1 313 341 A A H X S+ 0 0 59 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.857 108.4 51.2 -65.7 -35.3 -6.4 30.3 -24.4 314 342 A L H X S+ 0 0 9 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.831 107.3 52.8 -70.9 -34.0 -4.5 27.4 -22.9 315 343 A I H X S+ 0 0 11 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.894 107.5 52.6 -63.6 -42.4 -6.9 27.4 -19.9 316 344 A E H < S+ 0 0 109 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.974 117.8 37.5 -53.0 -55.7 -9.8 27.2 -22.5 317 345 A Q H < S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 131.2 21.9 -62.3 -45.6 -8.1 24.1 -24.1 318 346 A Y H < S+ 0 0 57 -4,-2.6 -3,-0.2 1,-0.1 4,-0.2 0.386 93.2 85.7-117.6 -3.2 -6.7 22.3 -21.1 319 347 A A >< + 0 0 4 -4,-2.0 3,-2.3 -5,-0.2 -1,-0.1 0.926 64.8 132.5 -72.2 -42.7 -8.5 23.2 -17.8 320 348 A A T 3 + 0 0 75 -4,-0.4 -107,-0.0 1,-0.4 -106,-0.0 -0.231 66.1 22.1 -56.7 137.3 -11.4 20.7 -18.0 321 349 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.950 114.2 79.3 -94.4 15.5 -12.4 18.8 -16.0 322 350 A L S < S- 0 0 11 -3,-2.3 -265,-0.1 -4,-0.2 5,-0.1 -0.500 96.5 -95.1 -76.6 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