==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-MAY-13 4BPT . COMPND 2 MOLECULE: PHENYLALANINE-4-HYDROXYLASE (PAH) (PHE-4-MONOOXYG . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR H.-K.S.LEIROS,M.I.FLYDAL,A.MARTINEZ . 973 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 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 . 47 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.9 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 6 4 7 1 4 13 2 0 4 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 4 4 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 . 2 0 0 4 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 . 4 0 0 0 0 0 0 0 2 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 A V 0 0 159 0, 0.0 98,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 145.2 8.6 10.8 -13.0 2 9 A A - 0 0 32 96,-0.1 2,-0.3 1,-0.1 96,-0.2 -0.276 360.0-117.3-100.0 156.5 8.3 7.2 -13.9 3 10 A H - 0 0 51 94,-2.0 94,-0.2 -2,-0.1 -1,-0.1 -0.681 28.0-128.3 -83.1 147.5 9.2 4.9 -16.8 4 11 A V - 0 0 132 -2,-0.3 8,-0.2 8,-0.1 72,-0.0 -0.855 29.5-123.9-100.6 125.5 6.5 3.2 -18.7 5 12 A P - 0 0 38 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.215 22.4-114.3 -75.3 160.0 7.1 -0.5 -18.9 6 13 A D > - 0 0 78 4,-2.1 3,-1.6 2,-0.0 5,-0.0 0.083 44.4 -76.2 -86.2-170.5 7.2 -2.5 -22.1 7 14 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.942 133.2 38.8 -49.2 -47.2 5.0 -5.3 -23.5 8 15 A Q T 3 S- 0 0 143 1,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.010 120.0 -99.4-101.9 23.6 6.5 -7.7 -21.1 9 16 A G S < S+ 0 0 21 -3,-1.6 48,-0.4 1,-0.2 -2,-0.1 0.143 76.7 134.5 87.4 -20.1 6.9 -5.6 -17.9 10 17 A L - 0 0 64 -5,-0.1 -4,-2.1 46,-0.1 2,-0.5 -0.196 40.6-151.6 -69.4 149.3 10.7 -4.8 -18.3 11 18 A V - 0 0 9 -6,-0.2 2,-1.8 2,-0.0 -1,-0.0 -0.979 14.4-130.3-137.6 126.6 11.8 -1.3 -17.7 12 19 A D + 0 0 136 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.1 -0.485 37.0 169.7 -79.1 70.3 14.8 0.3 -19.3 13 20 A Y - 0 0 21 -2,-1.8 2,-0.2 41,-0.1 -2,-0.0 -0.600 21.7-141.8 -74.1 137.9 16.7 1.9 -16.4 14 21 A S >> - 0 0 84 -2,-0.3 3,-1.5 1,-0.1 4,-1.4 -0.658 29.6 -84.2-109.1 173.0 20.2 3.2 -17.1 15 22 A A H 3> S+ 0 0 53 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.560 120.1 51.2 -38.3 -36.9 23.5 3.2 -15.1 16 23 A Q H 3> S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.936 109.0 49.3 -76.7 -43.5 22.9 6.2 -12.9 17 24 A E H <> S+ 0 0 48 -3,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.935 112.9 51.0 -54.9 -47.0 19.5 5.2 -11.7 18 25 A N H X S+ 0 0 25 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.795 104.6 55.6 -58.9 -35.7 21.1 1.8 -10.9 19 26 A R H X S+ 0 0 146 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.892 108.1 48.3 -66.3 -46.6 24.1 3.4 -8.9 20 27 A I H X S+ 0 0 9 -4,-1.9 4,-3.1 2,-0.3 5,-0.3 0.915 110.8 50.9 -58.6 -45.6 21.7 5.2 -6.5 21 28 A W H X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.2 -2,-0.2 0.992 113.3 48.4 -54.2 -51.4 19.8 1.9 -6.1 22 29 A N H X S+ 0 0 41 -4,-2.8 4,-2.7 30,-0.3 -2,-0.3 0.862 110.8 46.3 -52.5 -49.6 23.1 0.5 -5.4 23 30 A I H X S+ 0 0 58 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.887 116.5 47.1 -65.3 -39.1 24.3 3.2 -2.9 24 31 A L H X S+ 0 0 3 -4,-3.1 4,-1.8 2,-0.2 5,-0.3 0.926 115.7 45.3 -63.5 -41.7 20.9 2.9 -1.1 25 32 A F H X S+ 0 0 9 -4,-3.3 4,-3.0 -5,-0.3 5,-0.2 0.984 110.9 50.9 -67.2 -57.5 21.0 -0.8 -1.1 26 33 A E H X S+ 0 0 81 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.785 113.4 45.2 -46.6 -38.7 24.6 -1.2 0.1 27 34 A R H X S+ 0 0 49 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.853 113.4 46.5 -87.8 -32.7 24.2 1.1 3.0 28 35 A Q H >X S+ 0 0 1 -4,-1.8 4,-1.3 -5,-0.2 3,-0.7 0.940 105.2 62.4 -68.6 -43.7 20.9 -0.1 4.4 29 36 A L H >< S+ 0 0 56 -4,-3.0 3,-0.6 -5,-0.3 -1,-0.2 0.878 99.7 54.9 -48.6 -42.0 22.1 -3.7 4.1 30 37 A K H 3< S+ 0 0 122 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 108.7 46.9 -59.1 -41.8 24.9 -3.0 6.7 31 38 A L H << S+ 0 0 38 -4,-1.0 3,-0.4 -3,-0.7 -1,-0.2 0.662 93.0 80.5 -82.3 -13.3 22.5 -1.7 9.3 32 39 A L XX + 0 0 2 -4,-1.3 4,-2.2 -3,-0.6 3,-2.1 0.782 66.5 83.4 -64.1 -41.9 19.9 -4.5 9.2 33 40 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.767 105.5 22.1 -37.7 -55.3 21.5 -7.3 11.2 34 41 A G T 34 S+ 0 0 29 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.1 0.351 130.4 45.6 -94.5 8.3 20.5 -6.2 14.8 35 42 A R T <4 S+ 0 0 50 -3,-2.1 137,-2.4 -4,-0.2 -3,-0.1 0.804 89.5 70.3-124.0 -49.6 17.5 -4.1 13.8 36 43 A A B < S-a 172 0A 0 -4,-2.2 137,-0.2 135,-0.2 2,-0.1 -0.361 84.5-104.7 -73.8 154.0 15.1 -5.6 11.1 37 44 A C > - 0 0 0 135,-1.9 4,-2.2 1,-0.1 3,-0.4 -0.426 29.9-108.3 -76.5 157.0 12.9 -8.5 12.2 38 45 A D H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 118.6 57.7 -54.3 -40.1 13.6 -12.0 11.0 39 46 A E H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 106.8 47.9 -62.4 -40.3 10.7 -11.9 8.6 40 47 A F H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.933 108.6 55.5 -59.4 -51.1 12.1 -8.8 6.8 41 48 A L H X S+ 0 0 50 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.970 115.0 37.4 -46.2 -56.5 15.6 -10.5 6.6 42 49 A S H X S+ 0 0 50 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.780 109.2 61.4 -72.0 -28.8 14.2 -13.5 4.8 43 50 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.938 104.1 52.5 -59.6 -47.6 11.6 -11.6 2.7 44 51 A L H <>S+ 0 0 15 -4,-2.2 5,-1.5 2,-0.2 4,-0.5 0.830 113.1 42.7 -49.6 -42.8 14.6 -9.8 1.1 45 52 A Q H ><5S+ 0 0 45 -4,-1.1 3,-1.9 -5,-0.2 -2,-0.2 0.975 114.0 50.6 -75.5 -49.0 16.3 -13.0 0.3 46 53 A T H 3<5S+ 0 0 43 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.837 107.8 55.4 -53.9 -37.5 13.1 -14.6 -0.9 47 54 A L T 3<5S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.605 105.3-127.1 -81.9 -6.3 12.4 -11.6 -3.1 48 55 A G T < 5 - 0 0 37 -3,-1.9 2,-1.0 -4,-0.5 -3,-0.2 0.799 36.7-179.0 75.1 32.0 15.8 -11.8 -4.9 49 56 A L < - 0 0 17 -5,-1.5 -1,-0.2 68,-0.1 2,-0.1 -0.509 11.8-154.7 -79.3 106.4 16.8 -8.3 -4.3 50 57 A N - 0 0 61 -2,-1.0 2,-0.5 3,-0.1 -25,-0.1 -0.396 15.4-140.1 -71.6 145.3 20.2 -7.6 -6.0 51 58 A S S S+ 0 0 36 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.384 95.7 55.9 -95.6 51.5 22.5 -4.8 -4.6 52 59 A S S S+ 0 0 53 1,-0.7 2,-0.3 -2,-0.5 -30,-0.3 0.506 105.4 23.0-156.2 -48.7 23.4 -3.9 -8.1 53 60 A T S S- 0 0 58 -32,-0.1 -1,-0.7 -31,-0.1 -3,-0.1 -0.873 81.1 -99.2-127.3 160.4 20.5 -3.1 -10.4 54 61 A I - 0 0 1 -2,-0.3 -41,-0.1 1,-0.1 -36,-0.1 -0.715 55.8-108.4 -69.4 130.0 16.9 -1.9 -9.7 55 62 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.051 18.4-120.0 -56.2 159.7 14.7 -5.0 -10.0 56 63 A Q > - 0 0 45 1,-0.1 4,-1.3 -46,-0.1 5,-0.1 -0.914 24.1-133.6 -96.8 132.9 12.3 -5.9 -12.8 57 64 A L H > S+ 0 0 7 -2,-0.5 4,-3.7 -48,-0.4 5,-0.2 0.841 95.0 63.7 -59.8 -40.3 8.8 -6.2 -11.4 58 65 A P H > S+ 0 0 47 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.943 107.5 41.4 -53.3 -55.9 7.8 -9.5 -13.1 59 66 A E H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.841 117.5 48.1 -54.3 -44.7 10.4 -11.7 -11.4 60 67 A V H X S+ 0 0 4 -4,-1.3 4,-1.9 2,-0.2 3,-0.3 0.939 114.2 47.6 -66.9 -47.8 9.9 -9.9 -8.0 61 68 A S H X S+ 0 0 9 -4,-3.7 4,-3.2 1,-0.2 3,-0.4 0.961 107.0 54.8 -53.8 -61.7 6.2 -10.3 -8.4 62 69 A E H X S+ 0 0 113 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.814 111.4 47.2 -38.6 -39.7 6.4 -14.0 -9.3 63 70 A R H X S+ 0 0 113 -4,-1.5 4,-0.6 -3,-0.3 -1,-0.2 0.867 112.1 47.6 -75.6 -40.9 8.4 -14.6 -6.1 64 71 A L H >X S+ 0 0 0 -4,-1.9 4,-1.5 -3,-0.4 3,-1.5 0.930 109.9 54.6 -61.1 -53.3 6.0 -12.6 -3.9 65 72 A K H 3X S+ 0 0 91 -4,-3.2 4,-2.3 1,-0.3 -1,-0.2 0.806 102.3 55.4 -51.7 -41.2 3.0 -14.4 -5.3 66 73 A A H 3< S+ 0 0 86 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.708 111.2 45.8 -72.9 -19.9 4.3 -17.8 -4.6 67 74 A K H << S- 0 0 113 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.774 140.6 -12.9 -83.7 -36.0 4.7 -17.0 -0.9 68 75 A T H < S- 0 0 5 -4,-1.5 -3,-0.2 2,-0.2 -2,-0.2 0.278 91.8 -95.1-156.6 10.8 1.3 -15.3 -0.2 69 76 A G S < S+ 0 0 34 -4,-2.3 -4,-0.2 -5,-0.3 2,-0.2 0.429 81.1 132.0 77.6 -0.5 -0.6 -14.4 -3.4 70 77 A W - 0 0 0 -6,-0.5 -1,-0.2 54,-0.2 2,-0.2 -0.500 31.6-177.4 -80.3 158.3 0.7 -10.9 -3.5 71 78 A Q E -j 92 0B 49 20,-2.1 22,-2.9 -7,-0.2 2,-0.4 -0.755 24.4-115.6-141.1 177.5 2.1 -9.2 -6.6 72 79 A V E -j 93 0B 8 20,-0.2 -11,-0.1 -2,-0.2 -10,-0.1 -0.987 22.7-160.3-121.8 135.2 3.6 -5.8 -7.5 73 80 A A E -j 94 0B 13 20,-2.2 22,-3.3 -2,-0.4 2,-0.3 -0.964 19.1-125.7-117.0 132.5 2.0 -3.4 -9.9 74 81 A P E +j 95 0B 64 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.559 39.6 168.1 -70.5 133.4 3.9 -0.6 -11.7 75 82 A V E -j 96 0B 31 20,-2.0 22,-1.1 -2,-0.3 4,-0.0 -0.910 34.7 -90.4-137.3 174.4 2.3 2.8 -11.2 76 83 A A - 0 0 65 -2,-0.3 3,-0.4 20,-0.2 22,-0.1 -0.189 48.9 -94.8 -71.3 175.1 3.1 6.6 -11.7 77 84 A A S S+ 0 0 32 1,-0.2 2,-0.5 20,-0.1 19,-0.1 0.769 109.5 41.3 -64.7 -32.8 4.8 8.8 -9.1 78 85 A L + 0 0 147 32,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.593 68.9 168.7-128.7 76.9 1.8 10.4 -7.4 79 86 A I - 0 0 56 -2,-0.5 2,-0.1 -3,-0.4 17,-0.0 -0.549 32.8-110.9 -89.1 162.9 -1.0 8.0 -6.8 80 87 A S > - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.309 22.9-109.6 -96.9 166.0 -3.9 8.9 -4.5 81 88 A A H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 121.8 48.8 -60.0 -48.2 -4.9 7.5 -1.1 82 89 A R H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 109.3 51.7 -52.8 -45.5 -7.8 5.7 -2.8 83 90 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.939 109.5 51.1 -67.2 -39.2 -5.7 4.2 -5.6 84 91 A F H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.926 114.1 42.5 -52.5 -54.5 -3.2 2.8 -3.0 85 92 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.894 109.7 56.3 -73.0 -31.6 -5.9 1.2 -1.0 86 93 A E H X S+ 0 0 97 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.892 111.6 45.9 -63.3 -35.6 -7.8 -0.2 -4.1 87 94 A L H ><>S+ 0 0 35 -4,-1.9 5,-2.3 -5,-0.2 3,-1.0 0.939 110.7 49.1 -71.5 -51.4 -4.6 -1.9 -5.1 88 95 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.893 106.7 61.2 -53.4 -38.8 -3.7 -3.4 -1.7 89 96 A A H 3<5S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.4 43.7 -57.0 -38.2 -7.3 -4.6 -1.7 90 97 A E T <<5S- 0 0 137 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.008 125.7-102.6 -94.5 21.2 -6.8 -6.8 -4.8 91 98 A K T < 5S+ 0 0 37 -3,-1.9 -20,-2.1 1,-0.2 2,-0.5 0.659 80.6 129.7 64.2 26.4 -3.4 -8.0 -3.4 92 99 A Y E < -j 71 0B 73 -5,-2.3 -20,-0.2 -22,-0.2 -1,-0.2 -0.934 47.7-149.2-107.6 126.8 -1.1 -5.8 -5.6 93 100 A F E -j 72 0B 4 -22,-2.9 -20,-2.2 -2,-0.5 2,-0.2 -0.841 25.8-124.6 -92.6 128.0 1.6 -3.6 -4.0 94 101 A P E -j 73 0B 0 0, 0.0 2,-0.4 0, 0.0 -10,-0.0 -0.559 26.1-171.5 -79.7 135.7 2.2 -0.5 -6.0 95 102 A A E -j 74 0B 0 -22,-3.3 -20,-2.0 -2,-0.2 2,-0.5 -0.971 13.4-148.0-127.3 115.7 5.7 0.2 -7.3 96 103 A A E -j 75 0B 3 -2,-0.4 2,-1.5 -22,-0.2 17,-0.3 -0.704 18.8-132.5 -81.4 134.3 6.4 3.5 -8.9 97 104 A T S S+ 0 0 3 -22,-1.1 -94,-2.0 -2,-0.5 2,-0.3 -0.351 74.7 80.6 -92.0 55.3 9.1 3.1 -11.5 98 105 A F - 0 0 23 -2,-1.5 15,-2.4 -96,-0.2 2,-0.3 -0.961 63.5-142.1-142.3 164.8 11.4 5.9 -10.6 99 106 A I - 0 0 17 -2,-0.3 -2,-0.0 13,-0.2 -78,-0.0 -0.896 32.1 -92.2-124.6 152.2 14.1 6.2 -8.0 100 107 A R - 0 0 11 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.122 48.7-103.7 -53.9 159.9 15.0 9.2 -5.9 101 108 A S > - 0 0 50 1,-0.1 3,-0.8 3,-0.1 -1,-0.1 -0.496 26.6-104.4 -89.5 157.9 17.8 11.6 -7.1 102 109 A E G > S+ 0 0 118 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.908 125.2 49.3 -41.0 -49.9 21.4 11.9 -6.0 103 110 A E G 3 S+ 0 0 184 1,-0.3 2,-0.8 2,-0.1 3,-0.3 0.852 109.1 54.2 -62.3 -33.9 20.4 15.1 -4.2 104 111 A E G < S+ 0 0 77 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 -0.442 74.4 117.7 -99.9 62.0 17.5 13.4 -2.5 105 112 A L S < S+ 0 0 30 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.932 71.5 36.4 -92.1 -50.1 19.3 10.4 -0.9 106 113 A D S S+ 0 0 82 -3,-0.3 2,-0.4 1,-0.2 75,-0.3 0.941 124.4 18.8 -80.1 -56.1 18.8 10.7 2.8 107 114 A Y + 0 0 135 73,-0.1 2,-0.3 75,-0.1 -1,-0.2 -0.949 66.6 167.7-114.6 142.7 15.3 12.0 3.4 108 115 A V - 0 0 34 -2,-0.4 4,-0.1 -3,-0.1 -8,-0.0 -0.836 22.4-165.9-161.6 115.5 12.5 11.9 0.7 109 116 A Q S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.1 102,-0.0 0.791 77.9 70.7 -75.7 -32.7 8.8 12.6 1.1 110 117 A E S S- 0 0 70 1,-0.0 -1,-0.1 -32,-0.0 -32,-0.1 -0.788 90.9-125.7 -92.5 101.1 7.6 11.1 -2.3 111 118 A P - 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0 0 18 -3,-1.6 4,-1.4 1,-0.1 -73,-0.1 -0.945 66.3-150.7-123.1 139.7 29.5 -25.8 5.8 434 188 B I H > S+ 0 0 30 -2,-0.4 4,-1.0 -75,-0.3 5,-0.2 0.832 98.1 48.3 -76.4 -36.1 25.9 -25.8 7.3 435 189 B S H >> S+ 0 0 34 -76,-0.3 4,-1.9 2,-0.2 3,-0.6 0.981 113.5 42.9 -66.3 -62.3 26.8 -28.3 10.0 436 190 B E H 3> S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 106.9 64.4 -50.2 -47.2 30.0 -26.7 11.3 437 191 B T H 3< S+ 0 0 0 -4,-1.4 4,-0.4 -7,-0.6 -1,-0.2 0.838 111.7 33.1 -53.4 -39.3 28.4 -23.1 11.2 438 192 B V H XX S+ 0 0 47 -4,-1.0 4,-1.2 -3,-0.6 3,-1.1 0.970 121.0 47.8 -78.1 -58.3 25.8 -23.9 13.8 439 193 B Y H >X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 3,-0.6 0.846 96.5 71.2 -44.9 -48.0 27.8 -26.3 16.0 440 194 B C H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.708 117.3 17.9 -61.0 -24.2 31.0 -24.2 16.2 441 195 B V H <4 S+ 0 0 37 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.440 130.0 45.0-120.9 -2.3 29.4 -21.6 18.5 442 196 B E H << S+ 0 0 152 -4,-1.2 -3,-0.2 -3,-0.6 -2,-0.2 0.759 86.8 91.6-106.9 -39.8 26.3 -23.3 19.9 443 197 B S < - 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0 0 43 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.447 31.6 -93.4 -84.4 156.0 12.4 18.4 27.7 971 253 D E - 0 0 126 -4,-0.2 -40,-0.2 -2,-0.1 -1,-0.1 -0.356 54.3-114.3 -50.6 136.7 9.8 17.3 30.2 972 254 D L - 0 0 5 -42,-3.0 -1,-0.1 -45,-0.2 -722,-0.1 -0.403 30.3 -95.8 -77.3 156.7 7.0 15.6 28.2 973 255 D P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.626 45.5-107.9 -73.6 138.7 3.5 17.1 28.0 974 256 D P - 0 0 56 0, 0.0 -41,-0.1 0, 0.0 -43,-0.0 -0.161 14.5-154.9 -62.5 149.2 1.0 15.6 30.5 975 257 D Y S S+ 0 0 37 -43,-0.2 -42,-0.0 -728,-0.1 -34,-0.0 0.785 84.4 59.7 -91.3 -34.9 -1.8 13.3 29.2 976 258 D F 0 0 29 1,-0.1 -37,-0.0 -39,-0.0 -39,-0.0 -0.079 360.0 360.0 -67.9 179.1 -3.9 14.2 32.3 977 259 D D 0 0 188 -43,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.611 360.0 360.0-122.9 360.0 -5.0 17.7 33.1