==== 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 19-AUG-05 2AR8 . 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 . 518 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 68.9 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 . 71 13.7 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 . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 30.5 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 2 0 1 2 1 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 0 2 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 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.6 35.2 -10.7 -1.0 2 3 A K - 0 0 106 1,-0.1 364,-2.8 363,-0.1 365,-0.3 -0.510 360.0-118.6 -70.3 136.5 35.0 -12.8 2.2 3 4 A P B -A 365 0A 50 0, 0.0 2,-0.4 0, 0.0 362,-0.2 -0.271 36.1 -86.7 -67.2 159.9 31.7 -12.4 4.1 4 5 A I + 0 0 5 360,-0.6 3,-0.1 1,-0.2 359,-0.0 -0.596 55.1 165.4 -60.9 121.8 31.5 -11.0 7.6 5 6 A K + 0 0 90 -2,-0.4 27,-3.9 1,-0.3 2,-0.5 0.772 57.2 45.4-108.5 -45.3 32.1 -14.1 9.8 6 7 A N E -b 32 0B 68 25,-0.2 205,-2.9 27,-0.1 206,-1.8 -0.881 61.7-179.3-108.7 130.4 32.8 -12.7 13.3 7 8 A I E -bc 33 212B 1 25,-2.8 27,-2.5 -2,-0.5 2,-0.5 -0.986 8.6-162.7-128.8 129.9 30.8 -10.0 14.9 8 9 A V E -bc 34 213B 3 204,-2.4 206,-2.8 -2,-0.4 2,-0.5 -0.971 3.1-163.0-115.1 128.0 31.4 -8.5 18.3 9 10 A I E -bc 35 214B 0 25,-3.3 27,-3.1 -2,-0.5 2,-0.7 -0.952 5.9-154.7-107.4 128.3 28.7 -6.5 20.1 10 11 A V E +bc 36 215B 9 204,-2.8 206,-2.3 -2,-0.5 27,-0.2 -0.895 61.3 40.7-104.7 110.8 29.8 -4.3 22.9 11 12 A G - 0 0 11 25,-3.2 26,-0.1 -2,-0.7 206,-0.1 -0.051 55.0-145.2 126.6 137.0 26.9 -3.7 25.4 12 13 A G + 0 0 6 4,-0.2 25,-0.1 26,-0.1 159,-0.1 -0.082 62.7 109.6-120.5 30.9 24.1 -5.7 26.9 13 14 A G S > S- 0 0 15 203,-0.5 4,-2.3 29,-0.1 5,-0.4 -0.167 96.1 -72.2 -86.1-169.7 21.4 -3.0 27.1 14 15 A T H > S+ 0 0 14 30,-0.4 4,-2.1 1,-0.2 5,-0.2 0.896 136.4 52.2 -45.9 -41.7 18.3 -3.0 25.0 15 16 A A H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.951 109.3 45.9 -68.8 -49.3 20.5 -2.0 22.1 16 17 A G H > S+ 0 0 0 200,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.904 116.1 44.3 -57.6 -49.3 23.1 -4.8 22.4 17 18 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.810 113.3 51.1 -72.3 -30.0 20.5 -7.6 22.9 18 19 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.4 5,-0.3 0.941 112.0 48.7 -64.7 -45.0 18.3 -6.2 20.0 19 20 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.937 113.3 46.8 -58.7 -47.7 21.5 -6.2 17.9 20 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.927 117.0 41.5 -61.0 -49.3 22.4 -9.8 18.8 21 22 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 115.8 49.1 -70.2 -43.0 18.9 -11.2 18.3 22 23 A Y H X S+ 0 0 6 -4,-3.0 4,-3.0 -5,-0.2 -2,-0.2 0.931 115.3 45.1 -59.7 -45.5 18.2 -9.2 15.1 23 24 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.867 109.9 52.5 -69.9 -38.1 21.6 -10.3 13.6 24 25 A V H < S+ 0 0 30 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.7 43.3 -63.3 -37.3 21.3 -13.9 14.6 25 26 A R H >< S+ 0 0 93 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.933 117.5 44.2 -69.0 -48.7 17.9 -13.9 12.9 26 27 A A H 3< S+ 0 0 25 -4,-3.0 2,-0.7 1,-0.2 3,-0.2 0.867 107.6 58.0 -65.4 -41.0 19.1 -12.0 9.8 27 28 A L T 3< + 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.245 66.2 174.8 -95.4 46.7 22.3 -13.8 9.2 28 29 A Q < + 0 0 121 -2,-0.7 2,-0.3 -3,-0.7 -1,-0.2 0.659 67.5 19.8 -8.4 -55.1 20.8 -17.3 8.9 29 30 A Q S S+ 0 0 151 1,-0.2 0, 0.0 -3,-0.2 0, 0.0 -0.846 113.6 27.1-128.4 168.5 24.3 -18.8 8.0 30 31 A Q S S+ 0 0 131 -2,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.948 81.5 121.2 42.7 71.9 28.0 -17.8 8.3 31 32 A A - 0 0 38 -3,-0.1 2,-0.6 2,-0.0 -25,-0.2 -0.762 38.6-172.2-157.2 119.2 27.8 -15.6 11.5 32 33 A N E -b 6 0B 80 -27,-3.9 -25,-2.8 -2,-0.2 2,-0.5 -0.952 20.0-167.9-106.7 115.5 29.6 -16.0 14.8 33 34 A I E -b 7 0B 3 -2,-0.6 147,-3.3 145,-0.3 2,-0.4 -0.891 10.7-178.8-114.2 129.0 28.2 -13.4 17.2 34 35 A T E -bd 8 180B 23 -27,-2.5 -25,-3.3 -2,-0.5 2,-0.5 -0.990 8.6-161.5-126.6 131.5 29.7 -12.5 20.5 35 36 A L E -bd 9 181B 0 145,-3.4 147,-3.5 -2,-0.4 2,-0.5 -0.968 3.9-163.6-114.6 126.6 28.3 -10.0 22.9 36 37 A I E +bd 10 182B 2 -27,-3.1 -25,-3.2 -2,-0.5 2,-0.4 -0.923 14.3 171.5-108.0 130.1 30.4 -8.5 25.7 37 38 A E E - d 0 183B 22 145,-2.5 147,-1.4 -2,-0.5 2,-0.3 -0.997 29.6-123.1-142.1 138.1 28.7 -6.7 28.5 38 39 A S - 0 0 23 -2,-0.4 3,-0.3 145,-0.2 -26,-0.1 -0.567 4.0-154.8 -80.8 137.3 30.1 -5.3 31.8 39 40 A A S S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.2 146,-0.1 0.636 97.7 52.9 -79.7 -13.4 28.5 -6.6 35.1 40 41 A A S S+ 0 0 82 1,-0.1 -1,-0.2 2,-0.1 145,-0.0 0.479 93.8 74.6-102.7 -9.0 29.6 -3.2 36.6 41 42 A I S S- 0 0 52 -3,-0.3 -3,-0.1 0, 0.0 -1,-0.1 -0.949 81.3-132.0-111.7 114.4 28.1 -0.8 34.2 42 43 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.128 14.1-125.6 -61.0 157.6 24.3 -0.4 34.5 43 44 A R - 0 0 72 -31,-0.1 2,-0.6 2,-0.1 121,-0.1 -0.686 26.1-110.4 -95.5 158.5 21.9 -0.6 31.6 44 45 A I + 0 0 83 -2,-0.3 -30,-0.4 119,-0.1 2,-0.2 -0.841 54.6 144.2 -89.9 120.3 19.5 2.2 30.9 45 46 A G + 0 0 17 -2,-0.6 117,-0.1 118,-0.1 -2,-0.1 -0.740 7.0 159.1-157.9 102.8 15.9 1.0 31.5 46 47 A V S S- 0 0 41 -2,-0.2 237,-0.2 115,-0.1 201,-0.1 0.517 74.8 -72.0-105.7 -7.4 13.5 3.6 33.0 47 48 A G - 0 0 2 114,-0.3 2,-0.3 235,-0.1 115,-0.3 0.388 67.9-139.8 102.3 109.1 10.1 2.1 32.0 48 49 A E E -G 161 0C 28 113,-3.6 113,-2.3 -2,-0.1 2,-0.4 -0.820 14.6-147.5-120.4 142.2 9.9 2.6 28.3 49 50 A A E -G 160 0C 14 -2,-0.3 300,-0.3 111,-0.2 111,-0.2 -0.851 25.7-172.6-105.0 142.1 7.1 3.6 25.8 50 51 A T - 0 0 3 109,-2.2 108,-0.1 -2,-0.4 297,-0.1 -0.648 18.2-121.1-132.6 179.5 7.2 2.2 22.3 51 52 A I > - 0 0 0 -2,-0.2 3,-2.3 107,-0.1 4,-0.4 -0.824 36.3-100.5-127.4 161.0 5.6 2.4 18.9 52 53 A P T >> S+ 0 0 8 0, 0.0 4,-1.5 0, 0.0 3,-1.3 0.804 112.9 70.9 -56.7 -32.3 3.7 -0.2 16.7 53 54 A S H 3>>S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-1.1 0.671 80.6 77.8 -56.1 -17.8 6.8 -0.9 14.5 54 55 A L H <>>S+ 0 0 0 -3,-2.3 5,-2.3 3,-0.2 4,-0.8 0.939 104.6 34.2 -57.8 -44.3 8.4 -2.6 17.5 55 56 A Q H <4>S+ 0 0 10 -3,-1.3 5,-3.2 -4,-0.4 6,-0.3 0.943 123.4 44.1 -70.9 -48.4 6.2 -5.6 16.7 56 57 A K H <5S+ 0 0 56 -4,-1.5 -2,-0.2 3,-0.2 -3,-0.2 0.846 127.6 25.5 -72.1 -35.9 6.1 -5.3 12.9 57 58 A V H <5S+ 0 0 10 -4,-3.3 -3,-0.2 -5,-0.1 -1,-0.2 0.831 134.8 23.6 -96.6 -41.1 9.9 -4.5 12.3 58 59 A F T XXS+ 0 0 0 -5,-2.3 5,-3.0 1,-0.2 4,-0.9 0.839 119.4 52.0 -68.3 -34.4 9.5 -8.9 17.0 60 61 A D H >4> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-1.5 -0.399 23.9-112.8 -72.3 155.0 4.2 -12.8 18.6 66 67 A E H 3> S+ 0 0 29 1,-0.3 4,-2.6 2,-0.2 3,-0.1 0.893 116.1 60.3 -46.2 -48.4 3.1 -10.0 20.9 67 68 A R H 34 S+ 0 0 198 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.668 106.8 49.2 -61.8 -17.1 1.3 -12.5 23.2 68 69 A E H <4 S+ 0 0 79 -3,-1.8 4,-0.4 2,-0.1 -1,-0.2 0.882 119.8 28.5 -88.0 -47.5 4.6 -14.3 23.7 69 70 A W H X S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.1 3,-0.3 0.833 107.6 72.1 -84.8 -30.9 7.0 -11.5 24.7 70 71 A M T ><>S+ 0 0 4 -4,-2.6 5,-3.3 -5,-0.3 3,-0.6 0.847 100.1 40.6 -62.1 -45.7 4.6 -9.1 26.2 71 72 A P G >45S+ 0 0 28 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.771 109.5 61.7 -70.7 -26.4 3.8 -10.9 29.5 72 73 A Q G 345S+ 0 0 90 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.662 110.9 39.0 -74.1 -16.3 7.4 -11.9 29.9 73 74 A V G <<5S- 0 0 1 -4,-0.8 89,-0.8 -3,-0.6 -1,-0.3 0.124 114.7-115.3-113.4 17.7 8.3 -8.2 30.1 74 75 A N T < 5 - 0 0 109 -3,-1.1 204,-0.3 1,-0.1 -4,-0.1 0.911 53.8-173.7 49.4 46.1 5.2 -7.3 32.2 75 76 A G < - 0 0 12 -5,-3.3 2,-0.3 -6,-0.1 86,-0.2 -0.293 17.0-168.5 -75.1 154.3 4.1 -5.2 29.2 76 77 A A E -H 160 0C 0 84,-2.3 84,-2.4 200,-0.1 2,-0.3 -0.861 28.9 -91.3-134.0 172.0 1.1 -2.9 29.1 77 78 A F E -H 159 0C 3 -2,-0.3 2,-0.4 82,-0.2 82,-0.3 -0.619 26.6-167.3 -97.9 145.6 -0.6 -1.2 26.2 78 79 A K E +H 158 0C 0 80,-2.2 80,-3.8 -2,-0.3 183,-0.3 -0.986 15.2 166.3-129.2 120.0 -0.0 2.2 24.8 79 80 A A - 0 0 1 181,-2.8 23,-1.1 -2,-0.4 2,-0.3 0.456 68.2 -19.7-108.8 -3.5 -2.5 3.7 22.3 80 81 A A E -I 101 0D 0 180,-0.3 182,-2.0 21,-0.2 2,-0.4 -0.966 62.0 -99.5-174.8 174.5 -1.3 7.3 22.3 81 82 A I E -Ij 100 262D 2 19,-1.8 19,-3.0 -2,-0.3 2,-0.6 -0.993 33.9-151.2-111.4 132.9 0.7 9.9 24.1 82 83 A K E -Ij 99 263D 30 180,-3.4 182,-2.9 -2,-0.4 2,-0.5 -0.918 6.0-150.4-104.0 120.2 -1.5 12.3 26.0 83 84 A F E -Ij 98 264D 0 15,-3.2 15,-1.8 -2,-0.6 2,-0.4 -0.798 13.9-168.5 -94.6 125.3 -0.1 15.8 26.4 84 85 A V E -Ij 97 265D 32 180,-3.0 182,-3.1 -2,-0.5 13,-0.2 -0.943 65.1 -2.3-119.7 131.8 -1.1 17.7 29.6 85 86 A N S S+ 0 0 40 11,-2.2 -1,-0.1 -2,-0.4 12,-0.1 0.662 90.3 119.1 64.1 22.4 -0.6 21.4 30.3 86 87 A W + 0 0 0 10,-0.3 314,-0.5 178,-0.1 313,-0.5 0.635 63.0 63.5 -85.3 -16.3 1.2 22.0 27.0 87 88 A R S S- 0 0 93 311,-0.1 2,-0.3 9,-0.1 312,-0.2 0.794 109.6 -19.2 -83.8 -33.5 -1.4 24.5 25.7 88 89 A K S S- 0 0 126 8,-0.1 312,-0.2 311,-0.1 3,-0.1 -0.884 100.5 -39.7-155.0 177.0 -1.4 27.5 28.0 89 90 A S S S- 0 0 67 -2,-0.3 -3,-0.1 310,-0.2 -4,-0.1 -0.506 81.3-112.0 -42.8 111.7 -0.5 28.7 31.4 90 91 A P - 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0 0 0 -3,-0.9 -311,-0.1 1,-0.1 69,-0.1 -0.288 52.5-156.6 -60.4 147.6 3.9 26.4 22.1 399 400 A S + 0 0 57 -313,-0.5 -310,-0.2 67,-0.3 -1,-0.1 0.454 59.8 117.0 -98.9 -8.0 1.7 29.3 23.3 400 401 A R + 0 0 1 -314,-0.5 10,-0.2 -312,-0.2 -312,-0.1 -0.428 25.9 157.8 -60.1 131.7 3.1 28.9 26.8 401 402 A D + 0 0 92 -2,-0.1 -1,-0.1 9,-0.0 6,-0.1 0.137 40.0 105.8-138.3 15.3 5.0 32.1 27.7 402 403 A D S S+ 0 0 56 4,-0.0 3,-0.1 2,-0.0 -2,-0.1 0.494 79.1 35.1 -90.1 -9.1 4.8 31.8 31.5 403 404 A T S > S- 0 0 18 1,-0.1 4,-2.5 -135,-0.0 5,-0.2 -0.963 81.5-112.4-137.0 157.7 8.4 30.8 32.2 404 405 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.899 117.3 57.0 -48.9 -44.2 11.9 31.5 30.7 405 406 A F H > S+ 0 0 0 -137,-0.3 4,-1.8 1,-0.2 5,-0.1 0.933 110.2 42.0 -56.2 -49.4 12.1 27.9 29.5 406 407 A W H > S+ 0 0 0 -138,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.874 113.9 52.9 -69.3 -34.0 8.9 28.2 27.5 407 408 A L H X S+ 0 0 67 -4,-2.5 4,-1.6 2,-0.2 5,-0.3 0.878 107.8 50.8 -63.7 -39.5 9.9 31.7 26.2 408 409 A A H X S+ 0 0 4 -4,-2.7 4,-3.6 2,-0.2 5,-0.5 0.879 109.2 51.6 -65.8 -37.7 13.3 30.3 25.0 409 410 A N H < S+ 0 0 1 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.890 112.0 46.8 -64.2 -40.9 11.4 27.5 23.2 410 411 A R H < S+ 0 0 99 -4,-2.0 -2,-0.2 -10,-0.2 -1,-0.2 0.808 133.8 12.0 -66.9 -28.9 9.2 30.2 21.5 411 412 A H H < S+ 0 0 124 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.722 119.9 51.1-123.6 -30.5 12.1 32.4 20.6 412 413 A D S < S+ 0 0 118 -4,-3.6 -3,-0.2 -5,-0.3 2,-0.1 0.369 73.7 110.9-107.5 2.1 15.6 31.0 20.9 413 414 A L - 0 0 22 -5,-0.5 2,-0.5 -4,-0.4 -175,-0.2 -0.477 63.8-125.1 -79.4 149.6 15.7 27.6 19.1 414 415 A R - 0 0 134 -177,-2.6 2,-0.4 -2,-0.1 -2,-0.1 -0.821 30.1-156.6 -87.4 129.5 17.6 26.8 15.9 415 416 A L - 0 0 44 -2,-0.5 2,-0.0 -19,-0.0 -177,-0.0 -0.916 11.7-125.9-112.8 132.8 15.2 25.4 13.3 416 417 A S > - 0 0 17 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.368 24.0-119.4 -64.0 155.4 16.1 23.3 10.3 417 418 A D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.853 114.4 60.5 -58.5 -36.6 15.0 24.5 6.9 418 419 A A H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 106.0 43.3 -62.0 -43.8 13.1 21.2 6.7 419 420 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 112.4 52.6 -73.2 -35.5 10.9 21.9 9.8 420 421 A K H X S+ 0 0 109 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.919 108.0 52.8 -63.2 -42.2 10.3 25.5 8.8 421 422 A E H X S+ 0 0 98 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.936 111.4 45.1 -59.7 -49.2 9.1 24.3 5.4 422 423 A K H X S+ 0 0 39 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.910 112.5 50.0 -59.4 -45.0 6.6 21.9 6.9 423 424 A V H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.939 110.7 52.0 -62.4 -42.4 5.3 24.5 9.4 424 425 A Q H X S+ 0 0 150 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.892 111.0 46.1 -59.0 -44.1 4.9 26.9 6.5 425 426 A R H X>S+ 0 0 96 -4,-2.2 5,-2.1 2,-0.2 4,-0.6 0.925 113.4 50.2 -65.9 -45.1 2.9 24.3 4.5 426 427 A Y H ><5S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.955 110.8 47.8 -56.3 -52.4 0.8 23.5 7.6 427 428 A K H 3<5S+ 0 0 63 -4,-3.1 44,-3.2 1,-0.3 45,-0.5 0.802 105.0 60.0 -63.6 -27.3 0.0 27.2 8.3 428 429 A A H 3<5S- 0 0 47 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.664 122.7-108.5 -70.8 -15.7 -0.9 27.7 4.6 429 430 A G T <<5S+ 0 0 0 -3,-1.8 45,-0.2 -4,-0.6 -3,-0.2 0.425 73.1 141.4 98.4 2.3 -3.6 25.1 5.2 430 431 A L < - 0 0 80 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.508 54.0-114.3 -76.7 142.7 -1.8 22.3 3.1 431 432 A P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.417 24.7-139.3 -62.6 147.3 -1.9 18.7 4.2 432 433 A L - 0 0 15 1,-0.2 2,-0.1 -2,-0.1 23,-0.1 -0.064 64.4 -27.2 -85.7-155.7 1.5 17.2 5.2 433 434 A T S S- 0 0 63 21,-0.3 23,-3.2 -2,-0.1 2,-0.4 -0.324 70.2-171.8 -65.8 126.4 2.2 13.6 4.0 434 435 A T - 0 0 53 21,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.907 9.2-154.0-114.7 148.1 -0.9 11.6 3.6 435 436 A T - 0 0 3 -2,-0.4 -328,-0.1 -330,-0.2 -330,-0.0 -0.887 15.2-154.3-112.9 150.9 -1.2 7.9 2.9 436 437 A S S S+ 0 0 117 -2,-0.3 -329,-0.1 -330,-0.1 -1,-0.1 0.547 71.8 99.0 -87.6 -16.6 -4.1 6.1 1.2 437 438 A F S S- 0 0 69 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.290 75.9-120.8 -67.0 156.8 -3.2 2.9 3.1 438 439 A D > - 0 0 96 -335,-0.0 4,-2.3 -332,-0.0 3,-0.3 -0.376 39.3 -94.5 -78.0 173.2 -4.9 1.7 6.2 439 440 A D H > S+ 0 0 46 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.897 123.1 58.8 -58.4 -47.1 -2.8 1.3 9.4 440 441 A S H > S+ 0 0 64 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.874 110.9 43.0 -48.8 -45.5 -2.2 -2.4 8.8 441 442 A T H >> S+ 0 0 53 -3,-0.3 4,-0.5 2,-0.2 3,-0.5 0.921 114.4 49.1 -72.2 -46.1 -0.5 -1.6 5.5 442 443 A Y H >< S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.2 7,-0.4 0.950 114.9 44.6 -54.7 -53.0 1.4 1.4 6.8 443 444 A Y H 3< S+ 0 0 12 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.572 114.0 51.6 -74.5 -8.3 2.7 -0.6 9.8 444 445 A E H << S+ 0 0 124 -4,-0.6 2,-0.6 -3,-0.5 -1,-0.3 0.410 99.8 67.0-100.2 -3.5 3.5 -3.6 7.5 445 446 A T XX + 0 0 58 -3,-1.4 4,-2.7 -4,-0.5 3,-0.7 -0.745 58.5 172.0-123.2 80.4 5.5 -1.5 4.9 446 447 A F H 3> S+ 0 0 16 -2,-0.6 4,-3.2 1,-0.3 5,-0.3 0.830 74.7 59.6 -69.9 -32.9 8.6 -0.4 6.8 447 448 A D H 3> S+ 0 0 94 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.868 113.1 42.8 -58.2 -32.9 10.4 1.1 3.8 448 449 A Y H <> S+ 0 0 52 -3,-0.7 4,-2.1 2,-0.2 3,-0.4 0.966 116.8 44.1 -75.1 -54.7 7.4 3.4 3.5 449 450 A E H < S+ 0 0 0 -4,-2.7 -2,-0.2 -7,-0.4 -3,-0.2 0.909 109.6 57.4 -56.0 -43.9 7.0 4.2 7.3 450 451 A F H < S+ 0 0 3 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.884 116.5 34.4 -57.3 -39.7 10.8 4.7 7.7 451 452 A K H < S+ 0 0 99 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.672 127.8 38.9 -88.1 -20.5 10.8 7.4 5.0 452 453 A N S < S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.587 73.7 145.8-127.1 66.9 7.3 8.8 5.9 453 454 A F + 0 0 2 -3,-0.4 2,-0.6 -2,-0.2 -1,-0.1 0.879 63.3 44.2 -80.4 -37.8 7.4 8.5 9.6 454 455 A W S S- 0 0 8 -3,-0.1 -21,-0.3 4,-0.0 -1,-0.2 -0.939 76.9-171.8-113.4 116.3 5.4 11.5 10.6 455 456 A L > - 0 0 6 -2,-0.6 4,-2.2 -23,-0.1 3,-0.4 -0.471 42.9 -86.4 -99.9 175.9 2.2 11.9 8.6 456 457 A N H > S+ 0 0 5 -23,-3.2 4,-3.0 1,-0.2 5,-0.2 0.862 126.9 53.6 -44.1 -49.1 -0.3 14.7 8.4 457 458 A G H > S+ 0 0 3 -24,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.881 107.1 52.0 -58.4 -41.7 -2.3 13.2 11.3 458 459 A N H > S+ 0 0 5 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.954 113.0 43.4 -63.3 -49.8 0.8 13.2 13.5 459 460 A Y H X S+ 0 0 4 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.920 114.8 50.1 -61.0 -43.0 1.5 16.9 12.8 460 461 A Y H X>S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 5,-0.7 0.915 106.7 54.1 -63.9 -43.6 -2.1 17.9 13.2 461 462 A C H X5S+ 0 0 2 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.936 118.3 37.3 -53.7 -42.5 -2.4 16.0 16.5 462 463 A I H X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 6,-0.2 0.966 121.7 40.0 -76.6 -54.3 0.6 18.0 17.8 463 464 A F H X>S+ 0 0 0 -4,-3.2 5,-2.6 2,-0.2 4,-0.7 0.953 121.3 43.0 -63.0 -49.7 0.0 21.4 16.2 464 465 A A H ><5S+ 0 0 10 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.927 113.4 52.3 -64.8 -42.0 -3.8 21.5 16.7 465 466 A G H 3< - 0 0 19 -45,-0.2 3,-1.4 -359,-0.2 4,-0.4 -0.271 38.2-141.2 -53.3 121.5 -8.0 24.5 2.2 475 476 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.864 98.4 68.2 -53.2 -34.8 -9.1 26.8 -0.5 476 477 A L G > S+ 0 0 82 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.845 87.5 67.1 -49.7 -37.9 -10.1 23.7 -2.6 477 478 A L G X S+ 0 0 1 -3,-1.4 3,-1.1 1,-0.3 -1,-0.3 0.692 85.5 68.2 -64.1 -20.2 -12.9 22.9 -0.2 478 479 A Q G < S+ 0 0 128 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.617 103.0 46.9 -72.5 -13.8 -14.9 26.0 -1.1 479 480 A H G < S+ 0 0 148 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.343 105.6 64.7-101.7 -0.7 -15.5 24.4 -4.5 480 481 A R <> + 0 0 91 -3,-1.1 4,-2.1 -4,-0.2 3,-0.2 -0.479 44.9 152.2-128.9 64.5 -16.5 21.0 -3.1 481 482 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.845 79.5 55.2 -66.3 -30.0 -19.7 21.0 -1.1 482 483 A E H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.890 107.4 50.2 -66.2 -40.8 -20.4 17.4 -1.9 483 484 A S H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 107.7 53.5 -63.3 -41.9 -17.0 16.4 -0.6 484 485 A I H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.905 109.1 49.9 -56.8 -42.2 -17.8 18.4 2.6 485 486 A E H X S+ 0 0 130 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.868 109.1 50.3 -65.2 -40.4 -21.1 16.4 3.0 486 487 A K H X S+ 0 0 99 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.880 106.2 56.6 -63.3 -38.5 -19.3 13.1 2.5 487 488 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.895 102.4 56.1 -60.5 -39.0 -16.8 14.2 5.2 488 489 A E H X S+ 0 0 66 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.883 104.9 51.5 -57.2 -43.1 -19.8 14.6 7.5 489 490 A A H X S+ 0 0 57 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.855 110.3 49.6 -62.8 -37.3 -20.8 11.0 6.9 490 491 A M H X S+ 0 0 49 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.892 108.7 51.2 -69.4 -39.9 -17.2 10.0 7.8 491 492 A F H X S+ 0 0 18 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.881 110.1 51.1 -60.2 -39.3 -17.3 12.1 11.0 492 493 A A H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.897 108.1 51.7 -66.3 -40.4 -20.5 10.3 11.8 493 494 A S H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.887 108.9 51.2 -56.3 -45.1 -18.9 6.8 11.3 494 495 A I H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.916 109.2 50.4 -64.5 -41.0 -16.1 7.7 13.6 495 496 A R H X S+ 0 0 146 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.891 109.1 51.5 -65.3 -38.4 -18.5 8.8 16.3 496 497 A R H X S+ 0 0 158 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.899 110.7 48.1 -59.6 -43.9 -20.4 5.5 15.9 497 498 A E H X S+ 0 0 62 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.877 108.9 53.3 -66.8 -41.8 -17.2 3.6 16.3 498 499 A A H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 111.8 46.5 -55.2 -49.1 -16.2 5.7 19.4 499 500 A E H X S+ 0 0 100 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.898 111.5 50.8 -65.2 -40.3 -19.6 4.8 20.9 500 501 A R H X S+ 0 0 123 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.923 111.0 48.9 -60.5 -43.1 -19.2 1.1 20.0 501 502 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.896 103.4 61.7 -61.4 -43.1 -15.7 1.0 21.6 502 503 A R H < S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.4 30.2 -48.1 -43.2 -17.0 2.7 24.8 503 504 A T H < S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.477 123.5 47.6-103.6 -3.6 -19.4 -0.2 25.5 504 505 A S H < S+ 0 0 54 -4,-1.0 -355,-0.4 -3,-0.5 -3,-0.2 0.715 88.7 84.0-111.4 -29.1 -17.3 -3.0 23.9 505 506 A L S < S- 0 0 13 -4,-2.6 -357,-0.2 -5,-0.2 2,-0.2 -0.534 71.9-129.8 -76.8 144.2 -13.8 -2.7 25.2 506 507 A P - 0 0 18 0, 0.0 -361,-2.8 0, 0.0 -359,-0.2 -0.537 43.2 -87.4 -78.3 159.5 -12.7 -4.2 28.5 507 508 A T B > -P 144 0F 51 -363,-0.3 4,-2.3 -2,-0.2 -363,-0.3 -0.274 34.8-118.9 -59.6 157.4 -10.9 -1.8 30.8 508 509 A N H > S+ 0 0 0 -365,-3.0 4,-2.3 -250,-0.2 5,-0.2 0.922 116.4 53.2 -66.2 -38.7 -7.1 -1.8 30.2 509 510 A Y H > S+ 0 0 45 -366,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.935 110.1 45.4 -59.8 -51.0 -6.7 -2.9 33.8 510 511 A D H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 113.8 49.1 -60.0 -42.3 -9.1 -5.9 33.4 511 512 A Y H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.887 110.9 49.3 -67.2 -40.2 -7.6 -7.0 30.1 512 513 A L H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.947 112.3 48.6 -64.0 -48.7 -4.0 -6.9 31.4 513 514 A R H < S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 109.3 53.9 -50.8 -47.7 -5.1 -8.9 34.5 514 515 A S H < S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 108.6 47.9 -61.3 -43.9 -6.8 -11.4 32.2 515 516 A L H < S- 0 0 80 -4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.941 139.0 -26.7 -58.3 -51.4 -3.8 -12.1 30.1 516 517 A R < 0 0 157 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.878 360.0 360.0-170.1 129.3 -1.4 -12.5 33.0 517 518 A D 0 0 162 -2,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.712 360.0 360.0 -72.4 360.0 -1.7 -11.1 36.5 518 ! 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 0.0 519 650 A X 0 0 1 0, 0.0 -416,-0.7 0, 0.0 -64,-0.1 0.000 360.0 360.0 360.0 360.0 5.1 6.4 13.9