==== 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 BIOSYNTHETIC PROTEIN 16-AUG-05 2APG . COMPND 2 MOLECULE: TRYPTOPHAN HALOGENASE PRNA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR C.DONG,S.FLECKS,S.UNVERSUCHT,C.HAUPT,K.H.VAN PEE,J.H.NAISMIT . 517 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.5 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 3 3 2 0 1 1 2 0 2 1 2 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 3 5 2 2 2 0 1 1 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 3 0 0 1 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 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 2 A N 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.2 35.3 -10.7 -1.0 2 3 A K - 0 0 101 1,-0.1 364,-2.5 363,-0.0 365,-0.3 -0.505 360.0-111.3 -77.1 140.9 35.2 -12.7 2.1 3 4 A P B -A 365 0A 45 0, 0.0 2,-0.4 0, 0.0 362,-0.2 -0.385 29.4-103.7 -65.7 148.0 32.0 -12.6 4.2 4 5 A I + 0 0 8 360,-0.5 3,-0.1 1,-0.2 359,-0.0 -0.663 54.3 160.4 -60.1 125.0 31.8 -10.9 7.5 5 6 A K + 0 0 78 -2,-0.4 27,-3.6 1,-0.3 2,-0.5 0.683 52.2 56.2-117.0 -49.7 31.7 -14.0 9.8 6 7 A N E +b 32 0B 66 25,-0.2 205,-2.4 27,-0.1 206,-1.9 -0.728 62.8 179.9 -95.0 124.0 32.8 -12.9 13.3 7 8 A I E -bc 33 212B 2 25,-3.0 27,-2.6 -2,-0.5 2,-0.5 -0.975 9.9-164.6-126.1 131.6 30.7 -10.1 14.9 8 9 A V E -bc 34 213B 5 204,-2.4 206,-3.0 -2,-0.4 2,-0.5 -0.977 2.7-164.9-117.2 130.2 31.3 -8.6 18.3 9 10 A I E -bc 35 214B 0 25,-3.0 27,-2.7 -2,-0.5 2,-0.7 -0.938 8.6-152.1-111.0 126.5 28.6 -6.5 20.0 10 11 A V E +bc 36 215B 11 204,-2.9 206,-2.3 -2,-0.5 27,-0.2 -0.898 62.8 42.5 -99.1 115.7 29.7 -4.4 23.0 11 12 A G - 0 0 11 25,-3.4 26,-0.1 -2,-0.7 206,-0.1 -0.016 54.2-147.2 123.9 135.6 26.8 -3.9 25.3 12 13 A G + 0 0 5 4,-0.2 25,-0.1 26,-0.1 159,-0.1 -0.033 63.1 107.3-122.7 28.7 24.0 -5.9 26.9 13 14 A G S > S- 0 0 15 203,-0.5 4,-2.3 29,-0.1 5,-0.3 -0.056 97.2 -69.4 -84.5-165.1 21.2 -3.3 27.2 14 15 A T H > S+ 0 0 14 30,-0.4 4,-2.4 1,-0.2 5,-0.2 0.917 136.8 49.6 -55.8 -42.0 18.2 -3.2 24.9 15 16 A A H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.940 110.2 48.4 -62.8 -49.1 20.4 -2.2 22.0 16 17 A G H > S+ 0 0 0 200,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.932 117.0 41.6 -60.2 -47.5 23.0 -4.9 22.4 17 18 A W H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.815 113.7 51.3 -75.1 -33.0 20.4 -7.7 22.8 18 19 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.915 112.8 48.4 -60.9 -42.9 18.2 -6.4 20.0 19 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.949 112.2 48.0 -62.9 -45.6 21.3 -6.3 17.8 20 21 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 117.1 41.6 -61.6 -47.3 22.3 -9.9 18.8 21 22 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 114.9 48.7 -73.1 -40.3 18.9 -11.3 18.2 22 23 A Y H X S+ 0 0 5 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.941 116.9 44.5 -61.2 -43.5 18.2 -9.3 14.9 23 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.889 110.1 51.8 -71.2 -40.2 21.6 -10.4 13.5 24 25 A V H < S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.857 116.0 44.4 -65.3 -29.4 21.4 -14.0 14.6 25 26 A R H < S+ 0 0 90 -4,-1.8 -2,-0.2 -5,-0.2 3,-0.2 0.922 118.2 41.3 -77.0 -47.5 18.0 -14.1 12.8 26 27 A A H < S+ 0 0 27 -4,-2.9 2,-1.7 1,-0.2 -2,-0.2 0.902 108.4 60.8 -67.5 -44.0 19.0 -12.2 9.7 27 28 A L < + 0 0 32 -4,-2.9 -1,-0.2 1,-0.2 4,-0.1 -0.568 64.1 170.5 -90.3 73.7 22.4 -13.9 9.3 28 29 A Q + 0 0 131 -2,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.797 65.1 21.1 -52.7 -37.3 21.2 -17.5 8.9 29 30 A Q S S+ 0 0 160 1,-0.2 3,-0.1 -3,-0.2 -1,-0.0 -0.921 114.6 26.7-133.7 160.8 24.6 -18.8 7.9 30 31 A Q S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.940 84.3 126.1 56.3 56.5 28.2 -17.8 8.2 31 32 A A - 0 0 38 -3,-0.2 2,-0.5 -4,-0.1 -25,-0.2 -0.936 35.5-178.4-149.4 119.0 27.7 -15.8 11.4 32 33 A N E -b 6 0B 75 -27,-3.6 -25,-3.0 -2,-0.3 2,-0.5 -0.950 18.9-169.1-116.5 106.8 29.6 -16.1 14.7 33 34 A I E +b 7 0B 2 -2,-0.5 147,-3.5 145,-0.3 2,-0.4 -0.856 10.8 179.5-110.3 128.8 28.1 -13.6 17.1 34 35 A T E -bd 8 180B 23 -27,-2.6 -25,-3.0 -2,-0.5 2,-0.5 -0.987 8.4-163.8-124.2 129.6 29.6 -12.7 20.5 35 36 A L E -bd 9 181B 0 145,-3.3 147,-3.2 -2,-0.4 2,-0.5 -0.980 3.9-165.0-114.8 126.0 28.1 -10.1 22.9 36 37 A I E +bd 10 182B 2 -27,-2.7 -25,-3.4 -2,-0.5 2,-0.4 -0.928 13.2 172.4-107.8 130.3 30.3 -8.7 25.7 37 38 A E E - d 0 183B 19 145,-2.6 147,-1.2 -2,-0.5 2,-0.2 -0.999 28.2-122.9-142.3 137.3 28.5 -6.9 28.5 38 39 A S - 0 0 22 -2,-0.4 3,-0.2 145,-0.2 -26,-0.1 -0.536 3.5-154.8 -80.1 140.4 29.9 -5.5 31.8 39 40 A A S S+ 0 0 90 -2,-0.2 -1,-0.1 1,-0.2 146,-0.0 0.760 97.1 53.0 -79.0 -23.5 28.4 -6.6 35.1 40 41 A A S S+ 0 0 86 2,-0.1 -1,-0.2 1,-0.1 145,-0.0 0.500 96.4 73.0 -91.2 -5.5 29.6 -3.3 36.7 41 42 A I S S- 0 0 50 -3,-0.2 -3,-0.1 1,-0.0 -1,-0.1 -0.957 82.2-130.3-115.8 116.0 28.0 -0.9 34.2 42 43 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.086 10.2-131.0 -61.0 160.4 24.2 -0.6 34.4 43 44 A R - 0 0 68 -31,-0.1 2,-0.6 2,-0.1 121,-0.1 -0.866 27.3-109.6-104.0 149.0 21.8 -0.8 31.5 44 45 A I + 0 0 80 -2,-0.3 -30,-0.4 119,-0.1 2,-0.3 -0.708 51.9 147.9 -80.0 119.4 19.1 1.9 30.9 45 46 A G + 0 0 21 -2,-0.6 117,-0.1 118,-0.1 -2,-0.1 -0.760 2.6 157.0-148.8 99.9 15.6 0.6 31.7 46 47 A V S S- 0 0 37 -2,-0.3 237,-0.2 115,-0.1 116,-0.1 0.593 74.8 -77.2 -95.7 -11.2 13.3 3.3 33.0 47 48 A G - 0 0 1 114,-0.3 2,-0.3 235,-0.1 115,-0.3 0.407 66.4-139.9 99.8 106.6 10.0 1.7 32.1 48 49 A E E -G 161 0C 26 113,-3.8 113,-2.3 -2,-0.0 2,-0.3 -0.785 16.1-148.0-120.9 144.4 9.7 2.4 28.4 49 50 A A E -G 160 0C 14 -2,-0.3 300,-0.3 111,-0.2 111,-0.2 -0.846 25.3-174.4-105.8 145.6 7.0 3.4 25.9 50 51 A T - 0 0 4 109,-2.0 108,-0.1 -2,-0.3 297,-0.1 -0.648 20.1-117.5-132.9-176.1 7.1 2.2 22.3 51 52 A I > - 0 0 11 -2,-0.2 3,-2.2 107,-0.1 4,-0.3 -0.833 37.3-101.2-129.6 159.9 5.4 2.4 18.9 52 53 A P T >> S+ 0 0 11 0, 0.0 4,-1.3 0, 0.0 3,-1.3 0.760 110.8 73.3 -60.0 -25.9 3.6 -0.2 16.8 53 54 A S H 3>>S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-1.0 0.679 77.9 80.1 -59.7 -16.7 6.6 -0.9 14.5 54 55 A L H <>>S+ 0 0 0 -3,-2.2 5,-2.3 3,-0.2 4,-0.9 0.942 102.5 35.3 -55.7 -44.0 8.3 -2.7 17.4 55 56 A Q H <4>S+ 0 0 10 -3,-1.3 5,-3.1 -4,-0.3 6,-0.3 0.947 122.1 44.7 -71.4 -49.4 6.1 -5.7 16.5 56 57 A K H <5S+ 0 0 72 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.879 127.7 25.4 -70.3 -36.2 6.0 -5.3 12.7 57 58 A V H <5S+ 0 0 9 -4,-3.1 -3,-0.2 -5,-0.1 -1,-0.2 0.860 134.9 23.0 -95.3 -42.9 9.7 -4.6 12.2 58 59 A F T XXS+ 0 0 0 -5,-2.3 5,-3.1 1,-0.3 4,-0.7 0.892 118.5 53.4 -68.8 -37.4 9.4 -9.1 16.9 60 61 A D H >4> - 0 0 34 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.321 26.9-109.5 -70.8 155.7 4.2 -12.9 18.3 66 67 A E H 3> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 -2,-0.0 0.876 117.6 60.9 -50.1 -43.8 3.0 -10.3 20.7 67 68 A R H 34 S+ 0 0 201 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.699 106.3 48.2 -62.6 -18.9 1.4 -13.0 22.9 68 69 A E H <4 S+ 0 0 77 -3,-1.7 4,-0.5 2,-0.1 -1,-0.2 0.902 121.1 29.0 -85.6 -47.0 4.8 -14.6 23.4 69 70 A W H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.1 3,-0.4 0.845 108.1 66.6 -87.8 -33.9 7.0 -11.6 24.4 70 71 A M T ><>S+ 0 0 10 -4,-2.6 5,-2.5 -5,-0.2 3,-1.2 0.912 101.3 47.5 -58.8 -49.1 4.5 -9.2 26.1 71 72 A P G >45S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.824 108.1 57.9 -57.3 -32.4 3.8 -11.4 29.1 72 73 A Q G 345S+ 0 0 88 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.642 110.8 40.6 -78.0 -13.2 7.5 -12.0 29.7 73 74 A V G <<5S- 0 0 1 -3,-1.2 89,-0.8 -4,-0.8 -1,-0.3 0.155 110.3-117.7-115.1 16.0 8.2 -8.3 30.0 74 75 A N T < 5 - 0 0 110 -3,-1.1 204,-0.4 87,-0.1 -2,-0.1 0.905 52.0-172.9 44.0 49.2 5.1 -7.6 32.1 75 76 A G < - 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 86,-0.2 -0.248 17.2-160.6 -72.7 157.4 4.0 -5.3 29.2 76 77 A A E -H 160 0C 0 84,-2.1 84,-2.2 200,-0.1 2,-0.2 -0.887 28.7 -93.5-130.8 164.6 1.0 -3.0 29.2 77 78 A F E -H 159 0C 5 -2,-0.3 2,-0.4 82,-0.2 82,-0.3 -0.549 29.8-166.7 -87.8 141.7 -0.9 -1.5 26.3 78 79 A K E +H 158 0C 2 80,-2.5 80,-3.4 -2,-0.2 183,-0.3 -0.990 17.1 164.9-127.0 125.5 -0.3 1.9 24.8 79 80 A A - 0 0 0 181,-2.7 23,-1.5 -2,-0.4 2,-0.3 0.487 67.2 -19.6-111.6 -9.2 -2.7 3.6 22.3 80 81 A A E -I 101 0D 0 180,-0.3 182,-2.0 21,-0.2 2,-0.4 -0.967 61.8 -99.7-172.9 173.9 -1.4 7.2 22.4 81 82 A I E -Ij 100 262D 4 19,-1.9 19,-2.9 -2,-0.3 2,-0.6 -0.985 33.0-150.5-110.9 136.3 0.5 9.8 24.1 82 83 A K E -Ij 99 263D 34 180,-2.8 182,-2.7 -2,-0.4 2,-0.5 -0.929 6.2-151.4-108.3 120.1 -1.6 12.2 26.1 83 84 A F E -Ij 98 264D 0 15,-3.3 15,-1.7 -2,-0.6 2,-0.4 -0.831 13.3-166.7 -95.2 123.8 -0.1 15.7 26.5 84 85 A V E -Ij 97 265D 31 180,-2.8 182,-2.8 -2,-0.5 13,-0.2 -0.935 65.4 -6.1-115.5 128.7 -1.2 17.5 29.7 85 86 A N S S+ 0 0 36 11,-2.5 -1,-0.2 -2,-0.4 12,-0.1 0.752 93.3 118.3 64.3 23.4 -0.7 21.3 30.3 86 87 A W + 0 0 1 10,-0.2 314,-0.5 -3,-0.1 313,-0.3 0.691 67.3 54.4 -88.1 -24.5 1.3 21.7 27.2 87 88 A R S S+ 0 0 97 1,-0.2 312,-0.8 311,-0.1 2,-0.3 0.929 117.7 6.8 -81.3 -43.8 -1.1 24.2 25.6 88 89 A K S S- 0 0 143 311,-0.1 312,-0.2 310,-0.1 -1,-0.2 -0.888 94.3 -73.9-135.1 159.5 -1.4 26.9 28.2 89 90 A S S S- 0 0 47 -2,-0.3 -4,-0.1 310,-0.2 -3,-0.1 -0.330 73.9 -87.7 -46.8 136.8 0.1 27.8 31.5 90 91 A P + 0 0 61 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.229 49.3 179.6 -54.9 137.7 -1.4 25.3 34.0 91 92 A D > - 0 0 71 3,-0.3 3,-2.4 -3,-0.1 5,-0.1 -0.930 23.3-148.0-139.6 114.8 -4.7 26.4 35.5 92 93 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.643 98.2 58.0 -62.1 -11.9 -6.1 23.8 37.9 93 94 A S T 3 S+ 0 0 73 2,-0.0 2,-0.4 -3,-0.0 0, 0.0 0.405 99.4 71.7 -95.1 0.3 -9.6 24.9 36.9 94 95 A R S < S- 0 0 169 -3,-2.4 2,-0.8 2,-0.0 -3,-0.3 -0.939 75.7-135.7-119.7 138.5 -9.0 24.0 33.2 95 96 A D + 0 0 132 -2,-0.4 2,-0.6 -5,-0.1 -2,-0.0 -0.849 27.4 178.5 -91.5 111.6 -8.6 20.7 31.6 96 97 A D + 0 0 21 -2,-0.8 -11,-2.5 -5,-0.1 2,-0.3 -0.872 27.0 122.9-118.1 91.6 -5.7 21.0 29.3 97 98 A H E +I 84 0D 40 -2,-0.6 2,-0.3 -13,-0.2 -13,-0.2 -0.992 26.4 172.8-142.0 153.9 -5.0 17.6 27.5 98 99 A F E -I 83 0D 6 -15,-1.7 -15,-3.3 -2,-0.3 2,-0.4 -0.971 23.6-124.1-152.9 157.9 -4.8 16.3 24.0 99 100 A Y E -I 82 0D 0 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.824 4.9-156.0-106.2 141.3 -3.9 13.0 22.4 100 101 A H E -I 81 0D 11 -19,-2.9 -19,-1.9 -2,-0.4 2,-0.2 -0.965 35.4-158.3-102.1 103.1 -1.4 12.1 19.8 101 102 A L E -I 80 0D 0 -2,-0.6 -21,-0.2 -21,-0.2 360,-0.1 -0.592 13.9-122.0 -87.8 148.4 -3.0 8.9 18.5 102 103 A F S S+ 0 0 23 -23,-1.5 54,-0.2 54,-0.3 2,-0.1 -0.350 78.7 46.3 -67.0 163.3 -1.5 5.9 16.7 103 104 A G S S- 0 0 2 336,-0.1 2,-0.3 -2,-0.1 335,-0.0 -0.311 88.4 -88.2 88.8 178.1 -2.9 5.1 13.3 104 105 A N - 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0 0 4 -3,-0.5 -311,-0.1 -4,-0.4 -310,-0.1 -0.267 61.0-150.3 -64.2 153.2 3.4 26.0 22.5 399 400 A S + 0 0 62 -312,-0.8 -310,-0.2 -313,-0.3 -1,-0.1 0.333 52.7 129.3-107.6 9.4 2.1 29.3 23.7 400 401 A R + 0 0 1 -314,-0.5 10,-0.2 -312,-0.2 -312,-0.1 -0.392 22.2 164.7 -53.0 133.7 3.1 28.7 27.3 401 402 A D + 0 0 86 -2,-0.1 -1,-0.1 5,-0.0 6,-0.1 0.213 39.9 106.3-136.7 12.3 5.0 31.8 28.4 402 403 A D S S+ 0 0 62 4,-0.0 -134,-0.0 2,-0.0 -2,-0.0 0.622 79.5 34.0 -79.1 -17.0 5.0 31.4 32.2 403 404 A T S > S- 0 0 16 1,-0.1 4,-2.4 -135,-0.0 5,-0.2 -0.938 81.8-112.8-133.8 158.1 8.6 30.3 32.8 404 405 A P H > S+ 0 0 93 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 117.2 59.4 -53.9 -34.5 12.0 31.1 31.2 405 406 A F H > S+ 0 0 0 -137,-0.3 4,-1.6 2,-0.2 -136,-0.1 0.935 107.6 42.1 -62.6 -48.3 12.1 27.5 29.9 406 407 A W H > S+ 0 0 0 -138,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.904 114.0 53.3 -67.0 -39.5 8.8 27.9 27.9 407 408 A L H X S+ 0 0 70 -4,-2.4 4,-1.9 1,-0.2 5,-0.3 0.898 107.7 50.3 -60.2 -42.1 9.9 31.3 26.6 408 409 A A H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.858 109.1 52.3 -63.8 -36.8 13.2 30.0 25.4 409 410 A N H < S+ 0 0 1 -4,-1.6 4,-0.4 -5,-0.2 -2,-0.2 0.897 112.2 46.1 -64.3 -38.6 11.4 27.2 23.6 410 411 A R H < S+ 0 0 79 -4,-2.0 -2,-0.2 -10,-0.2 -1,-0.2 0.837 133.2 12.6 -70.3 -33.3 9.1 29.7 21.9 411 412 A H H < S+ 0 0 127 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.703 119.8 50.6-120.2 -25.9 11.9 32.1 20.9 412 413 A D S < S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.3 2,-0.1 0.369 72.7 110.9-114.7 4.4 15.4 30.7 21.2 413 414 A L - 0 0 22 -5,-0.5 2,-0.6 -4,-0.4 -175,-0.2 -0.476 65.1-123.1 -75.7 150.7 15.6 27.3 19.5 414 415 A R - 0 0 141 -177,-2.4 2,-0.4 -2,-0.1 -2,-0.1 -0.859 32.8-158.8 -88.2 123.1 17.6 26.7 16.3 415 416 A L - 0 0 43 -2,-0.6 -177,-0.0 1,-0.0 -26,-0.0 -0.886 12.8-123.0-110.1 135.1 15.1 25.3 13.7 416 417 A S > - 0 0 18 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.261 22.0-119.5 -67.0 156.3 16.0 23.3 10.6 417 418 A D H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 114.1 59.6 -59.9 -36.6 14.9 24.5 7.2 418 419 A A H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 108.0 41.2 -60.6 -46.8 13.0 21.2 6.9 419 420 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 112.8 54.4 -71.3 -38.1 10.8 21.9 9.9 420 421 A K H X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.944 110.7 48.0 -57.3 -44.1 10.3 25.6 9.0 421 422 A E H X S+ 0 0 100 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.884 109.8 49.8 -66.3 -45.0 9.1 24.4 5.7 422 423 A K H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.907 112.0 49.5 -57.4 -43.0 6.7 21.8 7.0 423 424 A V H X S+ 0 0 19 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.900 108.4 53.7 -65.2 -40.1 5.2 24.4 9.4 424 425 A Q H X S+ 0 0 144 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.926 110.5 46.3 -56.2 -47.9 4.8 26.9 6.5 425 426 A R H X>S+ 0 0 81 -4,-2.1 5,-2.2 2,-0.2 4,-0.5 0.915 113.8 48.6 -64.7 -44.1 2.8 24.3 4.6 426 427 A Y H ><5S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.961 111.1 49.4 -57.9 -51.5 0.7 23.5 7.6 427 428 A K H 3<5S+ 0 0 75 -4,-3.1 44,-3.4 1,-0.3 45,-0.4 0.819 105.0 58.3 -59.1 -33.7 0.0 27.1 8.3 428 429 A A H 3<5S- 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.626 123.6-106.6 -69.1 -12.8 -1.0 27.7 4.7 429 430 A G T <<5S+ 0 0 0 -3,-1.8 45,-0.2 -4,-0.5 -3,-0.2 0.459 72.7 142.8 98.1 5.0 -3.7 25.0 5.2 430 431 A L < - 0 0 81 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.1 -0.529 53.7-113.4 -80.5 141.0 -1.9 22.3 3.1 431 432 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.421 26.4-138.8 -57.3 140.9 -1.9 18.6 4.1 432 433 A L - 0 0 14 1,-0.2 24,-0.2 -2,-0.1 23,-0.1 -0.208 61.3 -36.5 -84.8-168.1 1.4 17.2 5.1 433 434 A T S S- 0 0 66 21,-0.3 23,-3.4 22,-0.1 2,-0.3 -0.240 70.8-170.5 -55.3 130.0 2.3 13.7 3.9 434 435 A T - 0 0 57 21,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.913 12.5-140.9-118.7 154.2 -0.7 11.5 3.8 435 436 A T - 0 0 8 -2,-0.3 -328,-0.1 -330,-0.2 7,-0.0 -0.868 10.0-159.3-109.3 149.0 -1.1 7.8 3.3 436 437 A S + 0 0 110 -2,-0.3 -1,-0.1 -330,-0.1 2,-0.1 0.476 67.9 101.2 -92.1 -11.8 -3.8 5.9 1.3 437 438 A F S S- 0 0 72 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.390 79.4-110.8 -76.8 152.9 -3.1 2.7 3.2 438 439 A D > - 0 0 110 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.357 41.1-101.1 -63.4 159.8 -5.0 1.2 6.1 439 440 A D H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.867 124.9 55.2 -49.8 -41.0 -3.2 1.4 9.4 440 441 A S H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.943 109.8 44.8 -60.1 -50.0 -2.3 -2.4 8.9 441 442 A T H > S+ 0 0 49 2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.856 112.3 52.2 -61.9 -41.0 -0.7 -1.8 5.5 442 443 A Y H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 7,-0.4 0.970 112.1 44.7 -62.3 -50.4 1.2 1.3 6.7 443 444 A Y H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.508 113.3 52.8 -76.1 -4.1 2.7 -0.6 9.7 444 445 A E H 3< S+ 0 0 118 -4,-0.6 2,-0.7 -3,-0.4 -1,-0.3 0.415 97.7 68.4-102.1 -2.1 3.5 -3.6 7.4 445 446 A T S+ 0 0 17 -2,-0.7 4,-3.4 1,-0.3 5,-0.2 0.836 73.1 58.3 -71.8 -31.3 8.5 -0.5 6.7 447 448 A D H > S+ 0 0 94 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.890 113.4 44.0 -60.9 -34.2 10.4 1.1 3.8 448 449 A Y H >> S+ 0 0 50 -3,-0.5 4,-2.6 2,-0.2 3,-0.6 0.969 116.5 44.2 -69.2 -55.4 7.4 3.4 3.4 449 450 A E H 3< S+ 0 0 6 -4,-2.5 -2,-0.2 -7,-0.4 -3,-0.2 0.906 108.2 59.0 -57.6 -45.0 7.0 4.1 7.1 450 451 A F H 3< S+ 0 0 4 -4,-3.4 3,-0.4 1,-0.2 -1,-0.2 0.845 116.7 32.6 -52.4 -40.5 10.7 4.7 7.7 451 452 A K H << S+ 0 0 117 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.769 127.3 41.1 -89.6 -30.1 10.8 7.5 5.1 452 453 A N S < S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.622 75.2 142.0-115.0 63.8 7.2 8.7 5.8 453 454 A F + 0 0 11 -2,-0.4 2,-0.6 -3,-0.4 -1,-0.2 0.924 62.0 44.2 -77.8 -47.8 7.3 8.4 9.6 454 455 A W S S- 0 0 20 -3,-0.2 -21,-0.3 4,-0.1 -1,-0.2 -0.899 78.3-171.1-104.0 117.6 5.4 11.4 10.7 455 456 A L >> - 0 0 3 -2,-0.6 4,-2.2 -3,-0.1 3,-0.6 -0.422 41.8 -85.8-102.5 174.2 2.3 12.0 8.7 456 457 A N H 3> S+ 0 0 3 -23,-3.4 4,-2.9 1,-0.2 5,-0.2 0.882 127.0 51.6 -42.4 -46.6 -0.3 14.7 8.4 457 458 A G H 3> S+ 0 0 5 -24,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.863 106.7 53.3 -66.5 -35.5 -2.3 13.3 11.4 458 459 A N H <> S+ 0 0 10 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.959 113.5 42.1 -63.0 -52.5 0.8 13.1 13.6 459 460 A Y H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.901 114.0 53.2 -61.2 -42.5 1.6 16.8 13.0 460 461 A Y H X>S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.6 0.907 104.7 53.9 -58.8 -44.8 -2.1 17.8 13.3 461 462 A C H X5S+ 0 0 2 -4,-2.6 4,-1.3 3,-0.2 -1,-0.2 0.903 116.6 39.7 -55.7 -41.7 -2.5 16.1 16.7 462 463 A I H X5S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.970 120.8 39.9 -73.6 -54.2 0.5 18.1 18.0 463 464 A F H <>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 4,-0.2 0.929 120.9 43.4 -65.1 -46.9 -0.2 21.4 16.4 464 465 A A H ><5S+ 0 0 12 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.909 112.3 54.6 -62.3 -41.3 -4.0 21.3 16.9 465 466 A G H 3< - 0 0 21 -45,-0.2 3,-1.3 -359,-0.2 4,-0.4 -0.387 36.0-139.5 -63.6 126.0 -8.2 24.6 1.8 475 476 A P G > S+ 0 0 82 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.847 99.9 70.3 -52.2 -33.0 -9.5 27.0 -0.8 476 477 A L G > S+ 0 0 91 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.841 86.3 65.2 -53.9 -38.0 -10.4 23.8 -2.8 477 478 A L G X S+ 0 0 0 -3,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.716 87.7 67.2 -64.2 -21.0 -13.1 22.9 -0.4 478 479 A Q G < S+ 0 0 130 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.690 104.0 47.3 -67.9 -18.5 -15.1 26.0 -1.3 479 480 A H G < S+ 0 0 149 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.393 108.1 58.6 -98.8 -3.7 -15.5 24.4 -4.7 480 481 A R <> + 0 0 105 -3,-1.1 4,-1.7 -4,-0.2 3,-0.5 -0.474 47.6 154.4-133.2 65.9 -16.5 20.9 -3.4 481 482 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.858 78.7 58.4 -62.0 -36.0 -19.7 21.0 -1.2 482 483 A E H > S+ 0 0 172 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.870 105.3 50.0 -57.8 -39.6 -20.4 17.3 -2.0 483 484 A S H > S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.873 107.0 54.4 -65.5 -35.8 -17.0 16.3 -0.6 484 485 A I H X S+ 0 0 16 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.928 109.7 48.1 -64.8 -39.6 -17.8 18.3 2.5 485 486 A E H X S+ 0 0 126 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.892 109.1 51.9 -64.2 -43.3 -21.0 16.3 2.9 486 487 A K H X S+ 0 0 111 -4,-2.0 4,-1.6 1,-0.2 3,-0.2 0.892 107.6 53.7 -58.6 -41.0 -19.2 13.0 2.4 487 488 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.884 102.6 58.0 -63.8 -38.2 -16.8 14.0 5.1 488 489 A E H X S+ 0 0 58 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.878 103.5 51.9 -56.7 -38.1 -19.8 14.6 7.4 489 490 A A H X S+ 0 0 58 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.879 108.8 51.8 -68.1 -35.7 -20.8 11.0 6.9 490 491 A M H X S+ 0 0 50 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.918 107.7 49.9 -64.8 -44.5 -17.2 10.0 7.9 491 492 A F H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.892 110.2 52.7 -58.7 -37.9 -17.4 12.1 11.1 492 493 A A H X S+ 0 0 33 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 108.6 49.2 -65.6 -41.4 -20.7 10.4 11.8 493 494 A S H X S+ 0 0 61 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.898 110.5 51.0 -60.6 -42.8 -19.1 6.9 11.4 494 495 A I H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 109.5 49.4 -62.5 -42.7 -16.3 7.9 13.6 495 496 A R H X S+ 0 0 147 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 111.4 50.0 -63.2 -41.8 -18.7 9.0 16.3 496 497 A R H X S+ 0 0 157 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.2 50.1 -59.9 -45.1 -20.6 5.7 16.0 497 498 A E H X S+ 0 0 59 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.909 108.9 52.3 -61.8 -44.4 -17.4 3.8 16.3 498 499 A A H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 110.9 47.5 -57.9 -43.7 -16.5 5.8 19.5 499 500 A E H X S+ 0 0 96 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.882 111.0 50.5 -68.0 -37.6 -19.8 5.0 21.0 500 501 A R H X S+ 0 0 130 -4,-2.4 4,-0.9 1,-0.2 3,-0.2 0.936 110.5 50.2 -64.3 -41.5 -19.6 1.3 20.2 501 502 A L H >X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 3,-0.9 0.913 102.5 62.6 -60.4 -43.6 -16.1 1.2 21.7 502 503 A R H 3< S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.895 116.1 29.3 -45.5 -49.3 -17.4 2.9 24.9 503 504 A T H 3< S+ 0 0 88 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.404 123.1 49.0-100.3 2.5 -19.7 -0.0 25.6 504 505 A S H << S+ 0 0 54 -3,-0.9 -355,-0.4 -4,-0.9 -3,-0.2 0.740 88.0 84.5-112.5 -31.1 -17.7 -2.9 24.1 505 506 A L S < S- 0 0 13 -4,-2.5 -357,-0.2 -5,-0.2 2,-0.1 -0.491 70.4-130.6 -78.2 141.0 -14.2 -2.6 25.3 506 507 A P - 0 0 19 0, 0.0 -361,-3.1 0, 0.0 -359,-0.1 -0.443 42.4 -88.9 -69.4 158.7 -13.0 -4.1 28.7 507 508 A T B > -P 144 0F 52 -363,-0.3 4,-2.4 1,-0.1 -363,-0.3 -0.336 35.2-116.7 -61.9 155.2 -11.1 -1.7 30.9 508 509 A N H > S+ 0 0 0 -365,-3.2 4,-2.6 -250,-0.2 5,-0.2 0.907 116.8 53.1 -59.2 -42.9 -7.4 -1.8 30.2 509 510 A Y H > S+ 0 0 45 -366,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.4 45.3 -59.5 -44.7 -6.9 -3.1 33.8 510 511 A D H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 114.2 48.4 -68.3 -42.0 -9.4 -6.0 33.4 511 512 A Y H X S+ 0 0 19 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.901 112.0 48.9 -65.3 -42.1 -8.0 -7.0 30.0 512 513 A L H >X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 3,-0.7 0.935 111.8 49.7 -62.0 -46.5 -4.4 -6.9 31.3 513 514 A R H 3X S+ 0 0 106 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.884 107.4 54.5 -57.5 -43.2 -5.5 -9.0 34.3 514 515 A S H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.731 102.1 56.5 -66.2 -24.0 -7.2 -11.5 32.0 515 516 A L H << S- 0 0 88 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.883 142.5 -55.2 -73.7 -39.8 -4.0 -12.0 30.0 516 517 A R H < 0 0 222 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 -0.174 360.0 360.0 164.9 116.9 -2.5 -12.9 33.4 517 518 A D < 0 0 123 -4,-0.8 -3,-0.1 -2,-0.1 -4,-0.1 0.858 360.0 360.0 -47.0 360.0 -2.5 -10.8 36.6