==== 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 14-OCT-96 1UBW . COMPND 2 MOLECULE: FARNESYL DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.C.TARSHIS,P.PROTEAU,C.D.POULTER,J.C.SACCHETTINI . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 81.9 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 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 1 0 0 0 2 1 0 2 0 1 2 0 0 0 0 0 1 1 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 20 A S > 0 0 84 0, 0.0 4,-1.0 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 144.8 27.6 20.5 85.8 2 21 A P T 4 + 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.020 360.0 45.2 -76.0 34.5 29.5 21.9 88.8 3 22 A V T > S+ 0 0 68 -2,-0.8 4,-1.3 3,-0.0 5,-0.1 0.493 111.9 39.0-137.4 -55.8 30.7 24.5 86.3 4 23 A V H > S+ 0 0 60 2,-0.2 4,-5.6 1,-0.2 5,-0.3 0.949 112.0 52.9 -68.1 -56.9 27.9 25.9 84.1 5 24 A V H X S+ 0 0 45 -4,-1.0 4,-4.2 1,-0.3 -1,-0.2 0.866 115.4 43.2 -48.2 -44.9 25.1 26.1 86.6 6 25 A E H > S+ 0 0 93 -5,-0.5 4,-5.5 2,-0.3 -1,-0.3 0.833 113.8 50.4 -74.2 -29.5 27.4 28.1 88.9 7 26 A R H X S+ 0 0 167 -4,-1.3 4,-1.9 2,-0.3 -2,-0.2 0.964 114.6 43.4 -68.1 -48.1 28.6 30.1 85.9 8 27 A E H >X S+ 0 0 25 -4,-5.6 4,-1.8 1,-0.2 3,-0.6 0.988 116.6 54.0 -56.0 -50.3 24.9 30.6 85.2 9 28 A R H 3X S+ 0 0 26 -4,-4.2 4,-1.6 -5,-0.3 5,-0.3 0.903 106.0 44.8 -51.7 -58.1 24.8 31.2 88.9 10 29 A E H 3X S+ 0 0 144 -4,-5.5 4,-2.0 1,-0.2 -1,-0.2 0.815 109.2 57.9 -60.4 -28.4 27.4 33.9 89.2 11 30 A E H X S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.2 4,-0.7 0.959 115.1 40.2 -55.9 -58.6 22.6 36.1 87.9 13 32 A V H >< S+ 0 0 87 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.861 109.4 61.8 -61.3 -37.6 23.9 37.4 91.3 14 33 A G H 3< S+ 0 0 55 -4,-2.0 -1,-0.3 -5,-0.3 4,-0.2 0.754 100.6 58.0 -63.8 -15.5 26.3 39.6 89.3 15 34 A F H XX S+ 0 0 27 -3,-1.7 4,-1.8 -4,-0.7 3,-1.3 0.756 77.1 91.0 -81.4 -30.3 23.1 41.2 87.9 16 35 A F H S+ 0 0 55 0, 0.0 4,-4.6 0, 0.0 -1,-0.3 0.802 105.5 58.3 -77.5 -31.9 22.9 45.9 91.3 18 37 A Q H <> S+ 0 0 57 -3,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.986 109.6 44.0 -61.7 -50.6 22.1 46.6 87.9 19 38 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.847 111.5 52.3 -61.7 -36.5 18.5 45.9 88.7 20 39 A V H X S+ 0 0 9 -4,-1.6 4,-1.7 -5,-0.2 5,-0.3 0.991 109.5 51.5 -63.4 -50.1 18.8 47.9 91.8 21 40 A R H X S+ 0 0 105 -4,-4.6 4,-2.3 1,-0.2 3,-0.3 0.872 106.2 53.5 -46.1 -52.4 20.1 50.7 89.6 22 41 A D H < S+ 0 0 32 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.964 111.8 48.0 -48.9 -52.0 17.2 50.4 87.2 23 42 A L H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.780 127.8 11.5 -61.2 -36.8 14.9 50.8 90.1 24 43 A T H X S+ 0 0 6 -4,-1.7 4,-3.3 -3,-0.3 5,-0.2 0.572 88.7 101.7-124.2 -14.7 16.2 53.8 92.1 25 44 A E T < S+ 0 0 123 -4,-2.3 4,-0.3 -5,-0.3 -3,-0.1 0.806 99.3 27.1 -47.4 -39.6 18.9 55.7 90.1 26 45 A D T >> S+ 0 0 148 -4,-0.4 3,-1.2 -5,-0.3 4,-0.8 0.877 119.4 57.3 -90.1 -38.0 16.7 58.5 89.0 27 46 A G G >4 S+ 0 0 18 1,-0.2 3,-1.0 2,-0.2 10,-0.3 0.848 92.6 73.2 -54.0 -43.3 14.3 58.3 91.9 28 47 A I G 3< S+ 0 0 72 -4,-3.3 -1,-0.2 1,-0.3 10,-0.1 0.687 107.9 29.1 -44.2 -37.0 17.1 58.8 94.4 29 48 A G G <4 S+ 0 0 64 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.490 83.9 132.8-107.2 -7.6 17.6 62.5 93.7 30 49 A H > S+ 0 0 66 -6,-0.1 4,-2.2 1,-0.1 3,-1.6 0.353 84.7 115.9-108.8 -4.5 10.1 61.5 96.0 34 53 A G H 3X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.3 5,-0.1 0.780 79.5 54.3 -35.6 -36.7 13.8 61.1 96.4 35 54 A D H 3> S+ 0 0 150 -5,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.894 108.5 48.4 -70.8 -37.3 13.1 60.1 100.1 36 55 A A H <> S+ 0 0 65 -3,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.982 111.8 49.5 -67.6 -50.3 10.7 57.4 99.0 37 56 A V H X S+ 0 0 17 -4,-2.2 4,-2.1 -10,-0.3 -9,-0.2 0.869 105.9 54.9 -55.9 -42.8 13.2 56.0 96.4 38 57 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 -5,-0.3 3,-0.2 0.955 107.4 50.0 -52.2 -56.3 16.1 55.9 98.8 39 58 A R H X S+ 0 0 68 -4,-1.6 4,-3.7 1,-0.3 -1,-0.2 0.853 107.4 55.0 -53.0 -39.3 14.2 53.7 101.3 40 59 A L H X S+ 0 0 11 -4,-1.8 4,-3.9 2,-0.2 5,-0.3 0.890 102.3 58.3 -59.9 -42.1 13.2 51.4 98.4 41 60 A K H X S+ 0 0 87 -4,-2.1 4,-3.4 -3,-0.2 -2,-0.2 0.982 111.7 39.5 -55.5 -48.0 16.8 51.1 97.7 42 61 A E H X S+ 0 0 107 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.948 113.4 53.9 -66.2 -42.9 17.2 49.8 101.2 43 62 A V H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 5,-0.3 0.958 113.5 45.8 -49.3 -51.2 14.0 47.7 101.1 44 63 A L H X S+ 0 0 1 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.956 112.8 49.1 -54.4 -58.9 15.4 46.1 98.0 45 64 A Q H < S+ 0 0 99 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.893 112.3 46.3 -55.4 -43.9 18.8 45.6 99.4 46 65 A Y H < S+ 0 0 71 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.944 124.8 26.0 -63.3 -52.3 17.7 43.9 102.6 47 66 A N H < S+ 0 0 13 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.766 110.1 58.2 -85.4 -34.0 15.1 41.5 101.2 48 67 A A S < S+ 0 0 1 -4,-2.3 3,-0.4 -5,-0.3 2,-0.2 0.919 93.3 63.5 -66.0 -53.6 15.9 40.6 97.5 49 68 A P S S+ 0 0 51 0, 0.0 -36,-0.0 0, 0.0 4,-0.0 -0.539 79.4 75.9 -73.6 142.7 19.3 39.1 97.7 50 69 A G + 0 0 52 1,-0.3 2,-0.1 -2,-0.2 -2,-0.1 0.463 57.8 84.4 145.8 -17.4 19.4 35.9 99.8 51 70 A G S S- 0 0 42 -3,-0.4 -1,-0.3 1,-0.0 37,-0.0 -0.164 91.3 -90.9 -97.8-160.4 18.1 32.5 98.7 52 71 A K - 0 0 127 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.686 59.6-130.2 -83.7 -18.8 19.9 29.9 96.6 53 72 A C > + 0 0 13 -41,-0.0 4,-2.0 3,-0.0 5,-0.2 0.607 59.7 140.8 81.6 17.2 18.3 31.9 93.7 54 73 A N H > + 0 0 42 1,-0.2 4,-1.3 2,-0.2 34,-0.0 0.845 60.8 57.7 -55.8 -52.5 16.9 28.9 91.9 55 74 A R H > S+ 0 0 56 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.931 112.0 42.6 -51.4 -46.3 13.6 30.1 90.8 56 75 A G H >> S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-1.2 0.955 111.0 54.3 -65.6 -50.8 15.2 33.0 88.8 57 76 A L H 3X S+ 0 0 9 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.684 97.2 69.5 -54.2 -21.3 18.0 30.8 87.4 58 77 A T H 3X S+ 0 0 17 -4,-1.3 4,-2.2 -3,-0.5 5,-0.3 0.863 95.9 50.8 -70.8 -32.8 15.3 28.5 86.1 59 78 A V H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.3 3,-0.8 0.901 114.4 50.0 -50.1 -47.3 15.2 27.1 80.1 63 82 A Y H >X S+ 0 0 9 -4,-3.3 4,-2.6 1,-0.3 3,-0.7 0.922 108.1 52.8 -61.3 -39.6 15.7 30.0 77.9 64 83 A R H 3< S+ 0 0 87 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.688 116.2 41.5 -70.0 -12.8 19.2 29.0 77.3 65 84 A E H << S+ 0 0 75 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.610 118.4 42.9-111.1 -7.0 17.9 25.7 76.4 66 85 A L H << S+ 0 0 31 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.2 0.790 92.1 87.8-102.3 -42.8 14.8 26.7 74.3 67 86 A S S < S- 0 0 11 -4,-2.6 145,-0.1 -5,-0.2 141,-0.0 -0.169 71.3-130.8 -57.8 156.2 16.1 29.6 72.2 68 87 A G > - 0 0 27 144,-0.1 4,-0.5 1,-0.0 3,-0.1 -0.309 40.4 -87.7 -94.1-178.2 17.7 29.0 68.8 69 88 A P T 4 S+ 0 0 120 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.742 125.5 65.9 -70.3 -16.8 21.0 30.6 67.9 70 89 A G T >4 S+ 0 0 68 1,-0.2 3,-0.5 2,-0.1 -3,-0.0 0.990 104.2 46.8 -60.9 -56.3 19.3 33.7 66.6 71 90 A Q T 34 S+ 0 0 70 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.468 83.4 91.2 -65.1 -9.2 18.1 34.4 70.2 72 91 A K T 3< + 0 0 85 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.334 58.1 129.9 -76.9 21.5 21.4 33.9 72.1 73 92 A D S <> S- 0 0 64 -3,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.235 71.6-108.3 -67.5 168.5 22.3 37.5 71.8 74 93 A A H > S+ 0 0 68 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.842 117.3 48.8 -62.6 -43.7 23.4 39.4 74.8 75 94 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.969 111.3 50.7 -67.6 -42.1 20.3 41.5 75.1 76 95 A S H > S+ 0 0 11 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.889 113.1 48.8 -58.4 -33.4 18.2 38.5 74.8 77 96 A L H >X S+ 0 0 57 -4,-2.2 4,-2.0 1,-0.2 3,-0.7 0.977 107.0 52.3 -69.3 -52.8 20.4 37.1 77.5 78 97 A R H 3X S+ 0 0 101 -4,-3.4 4,-3.2 1,-0.3 -2,-0.2 0.866 107.6 54.9 -48.7 -40.8 20.1 40.0 79.8 79 98 A C H 3X S+ 0 0 9 -4,-2.6 4,-3.5 2,-0.2 -1,-0.3 0.847 103.9 52.4 -63.7 -39.0 16.3 39.9 79.5 80 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 3,-1.3 0.970 103.7 45.3 -68.0 -52.9 14.6 36.0 86.5 85 104 A W H 3X S+ 0 0 4 -4,-2.1 4,-2.8 -3,-0.3 -1,-0.2 0.728 104.7 68.0 -61.6 -20.2 15.1 38.6 89.2 86 105 A C H 3X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.807 101.7 44.4 -67.3 -36.3 11.5 39.5 88.5 87 106 A I H X>S+ 0 0 5 -4,-2.2 5,-1.7 1,-0.2 4,-0.8 0.848 107.4 44.4 -55.5 -44.0 6.3 37.3 108.1 100 119 A I H ><5S+ 0 0 21 -4,-1.0 3,-0.7 1,-0.2 -1,-0.2 0.950 115.4 47.3 -68.1 -45.1 4.0 40.1 109.2 101 120 A M H 3<5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.428 119.6 43.3 -71.2 -1.5 0.9 37.9 109.0 102 121 A D H <<5S- 0 0 23 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.413 100.1-132.5-124.5 -3.3 3.0 35.2 110.9 103 122 A Q T <<5 + 0 0 123 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.825 47.9 168.4 56.1 29.6 4.6 37.4 113.4 104 123 A S < - 0 0 29 -5,-1.7 -1,-0.1 -6,-0.2 3,-0.1 -0.137 31.9-160.0 -71.6 172.6 7.8 35.7 112.6 105 124 A L + 0 0 92 1,-0.2 7,-2.3 -3,-0.1 2,-0.4 0.564 67.1 47.5-125.7 -36.0 11.2 37.0 113.8 106 125 A T E +A 111 0A 93 5,-0.3 2,-0.4 3,-0.0 -1,-0.2 -0.936 49.8 169.6-123.1 144.3 13.6 35.5 111.4 107 126 A R E > S-A 110 0A 65 3,-3.1 3,-3.1 -2,-0.4 -11,-0.0 -0.988 74.3 -12.1-148.9 140.9 14.0 35.1 107.7 108 127 A R T 3 S- 0 0 75 -2,-0.4 -1,-0.2 1,-0.3 3,-0.0 0.885 125.1 -61.2 34.2 65.1 16.9 33.9 105.6 109 128 A G T 3 S+ 0 0 78 -3,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.520 120.5 94.7 36.6 28.7 19.0 34.2 108.8 110 129 A Q E < S-A 107 0A 46 -3,-3.1 -3,-3.1 -64,-0.0 2,-0.2 -0.895 88.9 -89.9-135.4 161.1 18.5 37.9 109.2 111 130 A L E -A 106 0A 72 -2,-0.3 -5,-0.3 -5,-0.2 5,-0.1 -0.538 59.4 -88.3 -73.8 140.4 15.8 39.5 111.4 112 131 A C > - 0 0 0 -7,-2.3 4,-0.8 -2,-0.2 3,-0.5 -0.124 29.9-122.1 -52.6 141.3 12.5 40.1 109.6 113 132 A W T >4 S+ 0 0 8 1,-0.2 3,-1.6 2,-0.2 7,-0.4 0.936 111.9 55.7 -53.6 -44.5 12.2 43.4 107.7 114 133 A Y T 34 S+ 0 0 16 1,-0.3 6,-2.1 -18,-0.2 -1,-0.2 0.881 103.8 54.0 -57.7 -37.4 9.1 44.3 109.7 115 134 A K T 34 S+ 0 0 68 -3,-0.5 -1,-0.3 4,-0.1 -2,-0.2 0.591 75.5 112.8 -71.1 -16.3 10.9 43.8 113.0 116 135 A K S XX S- 0 0 84 -3,-1.6 3,-1.6 -4,-0.8 4,-0.8 -0.482 85.7-107.6 -60.8 130.8 13.6 46.2 112.1 117 136 A E T 34 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.520 106.1 31.6 -63.4 130.3 12.8 49.0 114.6 118 137 A G T 34 S+ 0 0 75 -2,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.148 110.8 72.1 106.5 -18.6 11.3 52.0 112.9 119 138 A V T X4 + 0 0 14 -3,-1.6 3,-1.0 -5,-0.2 2,-0.3 0.832 59.1 132.8 -90.2 -90.4 9.6 49.8 110.2 120 139 A G G >< S- 0 0 28 -6,-2.1 3,-1.7 -4,-0.8 4,-0.1 -0.544 81.7 -2.0 77.5-140.9 6.8 47.9 111.7 121 140 A L G > S+ 0 0 116 -2,-0.3 3,-2.2 1,-0.3 4,-0.3 0.704 119.5 81.4 -62.6 -16.2 3.4 47.8 110.0 122 141 A D G <> + 0 0 89 -3,-1.0 4,-0.7 1,-0.3 3,-0.5 0.631 69.2 78.7 -61.3 -20.0 5.0 50.1 107.3 123 142 A A H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 3,-0.4 0.731 78.9 74.9 -65.9 -12.7 6.5 47.0 105.8 124 143 A I H <> S+ 0 0 82 -3,-2.2 4,-1.2 1,-0.2 3,-0.3 0.979 100.8 38.4 -61.7 -50.2 2.9 46.6 104.4 125 144 A N H > S+ 0 0 100 -3,-0.5 4,-1.3 -4,-0.3 -1,-0.2 0.558 113.0 58.1 -70.7 -13.2 3.6 49.4 101.9 126 145 A D H X S+ 0 0 7 -4,-0.7 4,-0.9 -3,-0.4 -1,-0.2 0.678 103.0 53.0 -90.2 -28.3 7.2 48.2 101.3 127 146 A S H X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.3 3,-0.2 0.871 107.2 52.4 -70.3 -37.0 6.0 44.9 100.2 128 147 A F H X S+ 0 0 107 -4,-1.2 4,-2.8 1,-0.2 5,-0.2 0.974 108.6 49.8 -59.7 -50.4 3.7 46.7 97.8 129 148 A L H X S+ 0 0 67 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.720 108.6 52.7 -58.9 -24.7 6.6 48.6 96.4 130 149 A L H X S+ 0 0 0 -4,-0.9 4,-0.5 -3,-0.2 -1,-0.2 0.896 110.3 48.2 -76.2 -38.8 8.6 45.4 96.0 131 150 A E H >X S+ 0 0 71 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.877 109.6 53.4 -67.2 -38.2 5.6 44.0 94.1 132 151 A S H 3X S+ 0 0 62 -4,-2.8 4,-1.0 1,-0.2 3,-0.4 0.838 97.7 67.3 -64.8 -37.7 5.6 47.1 92.0 133 152 A S H 3X S+ 0 0 1 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.740 90.0 61.9 -56.3 -27.1 9.2 46.7 91.2 134 153 A V H X S+ 0 0 117 -4,-1.8 4,-1.6 1,-0.2 3,-0.5 0.965 112.1 55.9 -51.6 -51.3 8.5 47.5 81.3 140 159 A K H 3< S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 120.5 21.1 -51.4 -48.3 12.2 48.2 81.4 141 160 A Y H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.462 134.1 25.6-107.2 3.4 13.5 45.3 79.5 142 161 A C H X< S+ 0 0 1 -4,-1.9 3,-0.9 -3,-0.5 6,-0.5 0.444 72.3 115.6-144.3 -0.8 10.7 43.9 77.4 143 162 A R T 3< S+ 0 0 144 -4,-1.6 2,-0.2 -5,-0.4 -4,-0.1 0.697 89.1 45.3 -46.1 -28.1 8.2 46.7 76.7 144 163 A Q T 3 S+ 0 0 174 -5,-0.2 -1,-0.3 4,-0.1 -5,-0.0 -0.493 90.7 100.1-115.7 62.7 9.1 46.2 73.0 145 164 A R S X S- 0 0 98 -3,-0.9 3,-1.4 -2,-0.2 4,-0.3 -0.977 79.1-119.9-138.6 145.0 9.1 42.4 72.6 146 165 A P T 3 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.773 113.3 56.6 -59.2 -21.1 6.2 40.5 71.1 147 166 A Y T >> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.1 3,-1.3 0.690 74.1 104.2 -89.8 -9.3 5.9 38.7 74.4 148 167 A Y H <> S+ 0 0 37 -3,-1.4 4,-2.3 -6,-0.5 5,-0.2 0.798 83.0 45.3 -34.0 -59.8 5.4 41.8 76.7 149 168 A V H 3> S+ 0 0 79 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.868 111.6 52.3 -64.4 -28.8 1.7 41.4 77.2 150 169 A H H <> S+ 0 0 60 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276 295 A E T >> S+ 0 0 120 2,-0.2 4,-2.4 3,-0.1 3,-1.6 0.990 113.5 25.8 -68.3 -65.3 -5.0 8.1 121.4 277 296 A Q H <>>S+ 0 0 47 -3,-1.1 4,-4.2 1,-0.3 5,-0.6 0.943 112.3 69.9 -61.4 -41.7 -2.4 9.8 119.3 278 297 A R H 3<5S+ 0 0 78 -4,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.606 114.3 31.2 -52.6 -8.2 -5.0 11.9 117.4 279 298 A Q H <>5S+ 0 0 98 -3,-1.6 4,-1.5 -5,-0.4 -1,-0.3 0.632 111.7 60.3-115.9 -35.3 -5.2 13.7 120.8 280 299 A L H X5S+ 0 0 58 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.908 120.0 34.5 -58.4 -36.4 -1.7 13.2 122.0 281 300 A L H X5S+ 0 0 3 -4,-4.2 4,-1.8 -5,-0.2 3,-0.4 0.941 106.8 66.2 -78.4 -54.0 -1.0 15.2 118.8 282 301 A E H 4< S+ 0 0 23 -4,-1.1 3,-1.1 -3,-0.4 2,-0.5 0.542 85.7 99.7 -91.2 -7.5 1.2 19.3 121.7 285 304 A Y T 3< S+ 0 0 3 -4,-1.8 -27,-0.2 1,-0.2 -25,-0.1 -0.704 82.2 35.4 -84.1 126.7 1.4 20.6 118.1 286 305 A G T 3 S+ 0 0 10 -29,-0.8 2,-0.5 -2,-0.5 -1,-0.2 0.122 91.9 142.7 112.2 -8.2 1.9 24.4 118.0 287 306 A R < - 0 0 83 -3,-1.1 -1,-0.3 -30,-0.2 6,-0.2 -0.529 39.1-175.8 -76.5 117.4 3.9 23.9 121.0 288 307 A K + 0 0 141 -2,-0.5 -1,-0.1 -3,-0.1 -30,-0.1 0.197 60.2 103.3 -89.6 8.6 7.0 26.0 121.4 289 308 A E S >> S- 0 0 89 -5,-0.2 4,-1.2 1,-0.1 3,-1.0 -0.869 74.4-136.0 -99.1 112.0 7.8 24.0 124.6 290 309 A P H 3> S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.685 99.5 58.8 -35.3 -43.2 10.6 21.5 123.8 291 310 A E H 3> S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.972 109.1 48.2 -54.5 -54.1 9.2 18.5 125.6 292 311 A K H <> S+ 0 0 65 -3,-1.0 4,-2.8 2,-0.2 3,-0.2 0.919 110.5 47.1 -45.8 -65.1 6.1 18.8 123.3 293 312 A V H X S+ 0 0 33 -4,-1.2 4,-1.9 1,-0.3 3,-0.5 0.959 111.5 52.5 -45.6 -63.4 8.0 19.1 120.0 294 313 A A H X S+ 0 0 53 -4,-2.1 4,-1.9 1,-0.3 -1,-0.3 0.828 109.4 49.6 -41.7 -44.0 10.2 16.2 120.9 295 314 A K H X S+ 0 0 42 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.3 0.955 105.7 57.8 -61.6 -48.7 7.1 14.2 121.6 296 315 A V H X S+ 0 0 4 -4,-2.8 4,-1.5 -3,-0.5 -2,-0.2 0.852 107.1 46.8 -48.0 -44.1 5.7 15.3 118.2 297 316 A K H X S+ 0 0 33 -4,-1.9 4,-1.7 2,-0.2 5,-0.3 0.918 108.5 56.7 -69.1 -40.4 8.7 13.8 116.5 298 317 A E H >X S+ 0 0 99 -4,-1.9 4,-4.4 -5,-0.3 3,-0.9 0.953 103.3 53.2 -51.3 -56.4 8.3 10.6 118.6 299 318 A L H 3X S+ 0 0 3 -4,-2.4 4,-4.3 1,-0.3 5,-0.2 0.905 108.2 52.1 -46.2 -47.1 4.7 10.1 117.4 300 319 A Y H 3X>S+ 0 0 4 -4,-1.5 5,-3.1 2,-0.3 4,-0.7 0.814 114.0 40.1 -63.7 -33.9 6.0 10.3 113.8 301 320 A E H <<5S+ 0 0 115 -4,-1.7 -1,-0.2 -3,-0.9 -2,-0.2 0.860 112.9 58.8 -79.8 -36.0 8.7 7.7 114.4 302 321 A A H <5S+ 0 0 72 -4,-4.4 -2,-0.3 -5,-0.3 -3,-0.2 0.970 116.0 32.0 -54.5 -54.5 6.0 6.0 116.3 303 322 A V H <5S- 0 0 33 -4,-4.3 -1,-0.3 -5,-0.2 -2,-0.2 0.656 115.3-121.3 -82.0 -6.8 4.0 6.0 113.2 304 323 A G T >X5 + 0 0 27 -4,-0.7 4,-1.4 -5,-0.2 3,-0.9 0.951 42.3 172.0 72.3 50.5 7.0 5.7 111.0 305 324 A M H >>< + 0 0 0 -5,-3.1 4,-1.6 1,-0.2 3,-0.7 0.976 67.5 63.2 -52.3 -64.0 6.8 8.7 108.8 306 325 A R H 3> S+ 0 0 75 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.683 101.9 49.9 -42.3 -24.6 10.2 8.4 107.1 307 326 A A H <> S+ 0 0 61 -3,-0.9 4,-2.0 2,-0.2 5,-0.3 0.955 106.7 53.3 -81.6 -44.3 9.4 5.3 105.5 308 327 A A H X S+ 0 0 30 -4,-1.6 4,-2.9 -3,-0.3 3,-1.2 0.997 109.2 50.2 -69.2 -65.1 6.2 8.7 98.5 313 332 A E H 3X S+ 0 0 23 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.800 115.0 51.0 -40.7 -33.7 9.3 10.2 97.0 314 333 A E H 3X S+ 0 0 122 -4,-0.7 4,-1.4 -5,-0.4 -1,-0.3 0.809 107.3 47.0 -75.2 -40.5 9.4 6.9 95.0 315 334 A S H X S+ 0 0 123 -4,-1.9 4,-1.6 2,-0.2 3,-0.6 0.869 110.4 53.5 -61.0 -37.9 9.7 10.0 90.6 318 337 A R H >X S+ 0 0 153 -4,-1.4 4,-1.7 1,-0.2 3,-0.8 0.993 108.2 49.1 -55.5 -65.6 8.0 7.2 88.7 319 338 A R H 3X S+ 0 0 74 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.608 105.4 61.4 -47.5 -17.3 4.9 9.4 87.9 320 339 A L H X S+ 0 0 113 -4,-1.7 4,-2.3 1,-0.3 3,-1.1 0.937 108.5 44.0 -60.6 -48.8 5.4 9.3 82.8 323 342 A L H 3X S+ 0 0 35 -4,-1.4 4,-1.3 1,-0.3 -1,-0.3 0.618 104.1 66.3 -70.3 -16.2 4.1 12.8 82.5 324 343 A I H 3X S+ 0 0 3 -4,-1.6 4,-0.8 -3,-0.5 -1,-0.3 0.733 110.0 40.1 -75.6 -22.9 7.4 13.7 80.8 325 344 A E H << S+ 0 0 87 -3,-1.1 3,-0.4 -4,-0.9 -2,-0.2 0.940 117.3 41.2 -86.4 -64.6 6.1 11.4 78.1 326 345 A K H < S+ 0 0 154 -4,-2.3 3,-0.2 1,-0.2 -3,-0.2 0.836 132.3 27.7 -49.3 -33.7 2.4 12.2 77.8 327 346 A H H < S+ 0 0 29 -4,-1.3 3,-0.3 -5,-0.2 -1,-0.2 0.511 102.3 71.1-111.5 -11.3 3.2 15.9 78.1 328 347 A S < + 0 0 2 -4,-0.8 5,-0.3 -3,-0.4 -1,-0.2 -0.195 63.3 126.9 -98.9 38.0 6.8 16.7 76.9 329 348 A N S S+ 0 0 128 -3,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.960 83.0 16.5 -58.8 -57.5 5.6 16.1 73.3 330 349 A R S S+ 0 0 142 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.655 118.6 76.7 -94.7 -15.4 6.7 19.3 71.7 331 350 A L S S- 0 0 7 -4,-0.2 2,-0.8 1,-0.1 -265,-0.0 -0.643 90.6 -94.0-103.5 161.0 9.1 20.4 74.4 332 351 A P >> - 0 0 41 0, 0.0 3,-3.7 0, 0.0 4,-0.6 -0.509 21.2-156.7 -69.5 104.6 12.6 19.4 75.4 333 352 A K H >> S+ 0 0 83 -2,-0.8 4,-1.7 1,-0.3 3,-0.7 0.816 91.0 77.9 -49.9 -26.2 12.4 16.7 78.1 334 353 A E H 3> S+ 0 0 119 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.680 88.1 58.3 -57.3 -17.9 15.9 18.0 78.9 335 354 A I H <> S+ 0 0 17 -3,-3.7 4,-1.0 2,-0.2 -1,-0.3 0.908 107.4 42.9 -75.3 -46.1 14.2 20.9 80.5 336 355 A F H < S+ 0 0 16 -4,-1.0 3,-0.7 2,-0.2 -1,-0.2 0.910 116.3 49.1 -79.4 -43.8 15.3 20.6 86.9 340 359 A A H >X S+ 0 0 5 -4,-1.5 3,-2.2 1,-0.2 4,-1.2 0.919 105.3 58.1 -59.6 -43.0 14.2 17.2 88.2 341 360 A Q H 3< S+ 0 0 157 -4,-5.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.7 48.4 -59.1 -28.0 17.8 16.2 88.8 342 361 A K T << S+ 0 0 68 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.419 115.1 48.8 -95.2 9.7 18.3 19.1 91.1 343 362 A I T <4 S+ 0 0 7 -3,-2.2 3,-0.3 -4,-0.2 2,-0.3 0.822 91.6 60.5-108.2 -74.6 15.0 18.2 93.0 344 363 A Y < + 0 0 27 -4,-1.2 -1,-0.2 1,-0.2 -110,-0.0 -0.459 61.7 130.5 -62.1 120.7 14.5 14.6 94.1 345 364 A K - 0 0 153 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.507 37.5-173.0-129.9 -68.0 17.4 14.1 96.4 346 365 A R - 0 0 102 -3,-0.3 2,-0.1 1,-0.1 -101,-0.0 0.123 27.2-131.7 83.4 167.2 16.2 12.6 99.7 347 366 A Q 0 0 29 -103,-0.0 -1,-0.1 -102,-0.0 -2,-0.0 -0.591 360.0 360.0-152.5 78.4 17.7 11.8 103.3 348 367 A K 0 0 98 -2,-0.1 -38,-0.3 -39,-0.0 -39,-0.1 0.509 360.0 360.0 77.2 360.0 16.7 8.2 104.2