==== 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 2ARD . 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 . 503 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 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 . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 1 0 1 1 1 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 2 2 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 . 5 3 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 0 156 0, 0.0 365,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.5 23.4 -2.5 68.0 2 3 A K - 0 0 40 363,-0.1 364,-2.3 1,-0.1 365,-0.3 -0.183 360.0-117.0 -46.8 137.9 21.3 -2.1 71.1 3 4 A P B -A 365 0A 66 0, 0.0 2,-0.5 0, 0.0 362,-0.2 -0.269 37.0 -87.9 -65.1 164.6 21.9 1.4 72.8 4 5 A I + 0 0 6 360,-0.5 3,-0.1 1,-0.2 359,-0.0 -0.710 57.5 163.9 -72.0 125.2 23.4 1.7 76.3 5 6 A K + 0 0 74 -2,-0.5 27,-2.9 1,-0.3 2,-0.5 0.779 54.1 47.2-115.5 -49.8 20.2 1.4 78.6 6 7 A N E -b 32 0B 72 25,-0.2 205,-1.9 27,-0.1 206,-1.5 -0.894 64.3-176.6-104.3 126.7 21.4 0.7 82.2 7 8 A I E -bc 33 212B 0 25,-3.6 27,-2.6 -2,-0.5 2,-0.5 -0.964 8.6-161.8-123.1 132.6 24.2 2.7 83.7 8 9 A V E -bc 34 213B 3 204,-2.5 206,-2.7 -2,-0.4 2,-0.5 -0.975 0.6-166.2-116.0 130.1 25.9 2.2 87.0 9 10 A I E -bc 35 214B 0 25,-3.0 27,-2.5 -2,-0.5 2,-0.6 -0.950 11.7-149.3-103.9 131.9 27.9 4.9 88.7 10 11 A V E +bc 36 215B 10 204,-2.4 206,-1.6 -2,-0.5 27,-0.2 -0.920 63.7 28.6-102.6 112.1 30.0 3.7 91.7 11 12 A G - 0 0 13 25,-3.1 26,-0.2 -2,-0.6 206,-0.1 0.071 57.1-139.0 113.6 141.4 30.5 6.5 94.3 12 13 A G + 0 0 7 4,-0.1 31,-0.1 26,-0.1 -1,-0.1 -0.213 61.0 113.6-130.7 37.3 28.6 9.6 95.4 13 14 A G S > S- 0 0 18 203,-0.5 4,-2.4 29,-0.1 5,-0.3 -0.001 92.9 -71.7 -79.2-161.7 31.3 12.2 95.9 14 15 A T H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.993 139.1 48.8 -62.1 -54.9 31.5 15.2 93.7 15 16 A A H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 111.4 53.3 -48.0 -42.1 32.6 13.2 90.8 16 17 A G H > S+ 0 0 0 200,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.930 112.9 38.3 -63.8 -47.2 29.7 10.8 91.4 17 18 A W H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.833 110.7 58.2 -81.2 -27.6 26.8 13.2 91.5 18 19 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.862 109.3 48.2 -61.2 -35.3 28.1 15.4 88.7 19 20 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.3 5,-0.3 0.876 110.6 50.1 -72.0 -38.8 28.0 12.3 86.5 20 21 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.891 116.5 40.1 -69.8 -39.3 24.5 11.3 87.6 21 22 A S H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.884 118.2 46.9 -78.9 -39.8 23.1 14.8 86.9 22 23 A Y H X S+ 0 0 6 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.941 116.6 43.9 -65.0 -48.7 25.1 15.3 83.7 23 24 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.876 112.0 53.2 -68.2 -33.6 24.2 11.9 82.4 24 25 A V H < S+ 0 0 26 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.789 114.4 44.2 -73.0 -21.1 20.6 12.2 83.5 25 26 A R H < S+ 0 0 89 -4,-1.2 3,-0.4 -3,-0.2 -2,-0.2 0.890 115.9 43.4 -84.9 -42.4 20.5 15.4 81.5 26 27 A A H < S+ 0 0 27 -4,-3.1 2,-1.8 1,-0.3 -2,-0.2 0.941 106.0 62.7 -72.9 -40.7 22.3 14.3 78.4 27 28 A L < + 0 0 34 -4,-2.3 -1,-0.3 -5,-0.2 4,-0.1 -0.415 63.1 170.9 -85.7 64.3 20.5 11.0 78.1 28 29 A Q + 0 0 127 -2,-1.8 2,-0.3 -3,-0.4 -1,-0.2 0.699 65.7 19.2 -46.0 -33.0 16.9 12.4 77.6 29 30 A Q S S+ 0 0 159 -3,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.868 114.7 24.8-136.5 175.3 15.5 8.9 76.7 30 31 A Q S S+ 0 0 134 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.838 85.7 130.9 35.8 54.6 16.4 5.2 77.1 31 32 A A - 0 0 35 -3,-0.1 2,-0.5 -4,-0.1 -25,-0.2 -0.975 35.4-177.5-138.9 127.7 18.6 5.8 80.1 32 33 A N E -b 6 0B 88 -27,-2.9 -25,-3.6 -2,-0.4 2,-0.5 -0.904 12.6-172.1-129.4 109.7 18.6 4.0 83.5 33 34 A I E +b 7 0B 5 -2,-0.5 147,-2.6 145,-0.2 2,-0.4 -0.833 10.1 178.2-115.9 123.9 21.0 5.3 86.1 34 35 A T E -bd 8 180B 31 -27,-2.6 -25,-3.0 -2,-0.5 2,-0.5 -0.979 9.1-163.7-123.6 132.4 21.9 3.8 89.4 35 36 A L E -bd 9 181B 0 145,-2.4 147,-2.9 -2,-0.4 2,-0.5 -0.966 5.7-161.9-116.1 122.3 24.5 5.3 91.8 36 37 A I E +bd 10 182B 3 -27,-2.5 -25,-3.1 -2,-0.5 2,-0.4 -0.877 11.0 179.1-105.0 128.7 25.9 3.2 94.6 37 38 A E - 0 0 23 145,-2.5 2,-0.4 -2,-0.5 148,-0.1 -0.920 24.0-136.4-138.1 115.9 27.7 4.9 97.5 38 39 A S > - 0 0 20 -2,-0.4 3,-0.7 145,-0.2 147,-0.1 -0.477 3.6-158.2 -67.0 118.9 29.2 3.3 100.7 39 40 A A T 3 S+ 0 0 87 -2,-0.4 -1,-0.2 1,-0.2 146,-0.1 0.625 94.7 63.4 -71.3 -11.2 28.3 5.3 103.8 40 41 A A T 3 S+ 0 0 82 1,-0.2 -1,-0.2 144,-0.1 -2,-0.1 0.723 98.1 59.8 -73.9 -29.1 31.4 3.5 105.4 41 42 A I S < S- 0 0 65 -3,-0.7 -1,-0.2 0, 0.0 -3,-0.0 -0.882 85.7-150.9-105.1 102.7 33.7 5.3 102.8 42 43 A P - 0 0 108 0, 0.0 -29,-0.1 0, 0.0 -4,-0.1 -0.195 20.7 -97.3 -70.6 164.0 33.3 9.1 103.2 43 44 A R - 0 0 70 -31,-0.1 2,-0.8 1,-0.1 121,-0.0 -0.364 44.9 -98.6 -65.9 153.3 33.7 11.8 100.5 44 45 A I - 0 0 68 1,-0.1 2,-1.0 2,-0.1 -30,-0.2 -0.753 40.9-137.3 -71.9 115.5 37.1 13.5 100.3 45 46 A G S S+ 0 0 47 -2,-0.8 2,-0.2 -32,-0.0 119,-0.2 0.032 72.7 68.6 -78.7 31.7 35.8 16.5 102.3 46 47 A V + 0 0 34 -2,-1.0 -2,-0.1 117,-0.1 116,-0.0 -0.791 34.4 108.6-134.1-178.4 37.5 19.0 100.0 47 48 A G + 0 0 31 -2,-0.2 -1,-0.0 -33,-0.0 3,-0.0 0.742 37.9 147.6 109.4 78.7 37.5 20.4 96.4 48 49 A E + 0 0 26 112,-0.1 113,-2.4 114,-0.1 2,-0.4 0.542 39.5 70.3-129.2 -14.7 36.1 23.9 96.8 49 50 A A B -G 160 0C 9 111,-0.2 300,-0.3 294,-0.1 111,-0.2 -0.896 58.5-171.0-114.9 151.5 37.5 26.4 94.3 50 51 A T - 0 0 2 109,-1.9 108,-0.1 -2,-0.4 297,-0.1 -0.689 21.7-118.6-135.1 170.6 36.7 26.4 90.6 51 52 A I > - 0 0 4 -2,-0.2 3,-2.0 295,-0.2 4,-0.2 -0.811 41.9-101.3-114.1 159.1 37.5 27.9 87.1 52 53 A P T >> S+ 0 0 46 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.794 110.7 74.4 -50.6 -34.7 35.0 29.9 85.0 53 54 A S H 3>>S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.6 0.679 74.9 85.9 -54.5 -18.3 34.2 26.9 82.6 54 55 A L H <>>S+ 0 0 0 -3,-2.0 5,-1.9 1,-0.2 4,-1.7 0.870 94.4 38.4 -52.1 -44.1 32.1 25.4 85.4 55 56 A Q H <4>S+ 0 0 15 -3,-1.4 5,-3.9 3,-0.2 6,-0.4 0.963 117.8 48.0 -72.0 -50.9 28.9 27.4 84.6 56 57 A K H <5S+ 0 0 83 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.1 0.880 127.5 24.9 -58.1 -41.4 29.3 27.3 80.8 57 58 A V H <5S+ 0 0 36 -4,-3.0 -1,-0.2 3,-0.1 -3,-0.2 0.841 134.0 23.8 -98.4 -39.6 29.9 23.6 80.7 58 59 A F T XXS+ 0 0 1 -5,-1.9 5,-2.3 1,-0.2 4,-1.6 0.891 119.5 51.5 -65.6 -43.7 25.6 24.2 85.2 60 61 A D H 4> - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-1.4 -0.335 27.9-104.9 -69.7 159.1 21.8 29.5 86.5 66 67 A E H 3> S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.875 117.1 58.3 -50.7 -46.3 24.3 31.0 89.0 67 68 A R H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.595 107.2 50.4 -65.3 -8.7 21.7 32.7 91.2 68 69 A E H <4 S+ 0 0 84 -3,-1.9 4,-0.4 2,-0.1 -1,-0.2 0.826 117.5 31.8 -99.9 -39.0 20.0 29.3 91.8 69 70 A W H X S+ 0 0 0 -4,-1.4 4,-0.6 -3,-0.2 6,-0.3 0.748 108.2 67.2 -92.4 -25.1 22.9 27.1 92.9 70 71 A M T ><>S+ 0 0 17 -4,-2.3 5,-2.3 -5,-0.3 3,-2.2 0.985 99.9 46.7 -60.8 -57.4 25.1 29.7 94.6 71 72 A P G >45S+ 0 0 74 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.828 112.0 54.2 -52.8 -30.0 22.8 30.4 97.6 72 73 A Q G 345S+ 0 0 93 -4,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.487 112.4 40.2 -90.0 -4.7 22.3 26.7 98.1 73 74 A V G <<5S- 0 0 1 -3,-2.2 89,-2.4 -4,-0.6 -1,-0.3 0.109 113.2-104.9-126.8 27.0 25.9 25.8 98.3 74 75 A N T < 5 - 0 0 41 -3,-0.9 204,-0.3 -4,-0.2 -4,-0.1 0.847 59.8-170.4 51.5 35.6 27.3 28.8 100.4 75 76 A G < + 0 0 11 -5,-2.3 2,-0.2 -6,-0.3 86,-0.2 -0.271 13.6 177.3 -63.2 140.6 28.7 29.9 97.0 76 77 A A E -H 160 0C 0 84,-2.7 84,-1.7 -3,-0.1 2,-0.3 -0.817 29.9 -94.2-133.4 174.1 31.2 32.7 96.8 77 78 A F E -H 159 0C 13 82,-0.2 2,-0.5 -2,-0.2 82,-0.3 -0.763 22.2-165.8-101.8 140.0 33.2 34.5 94.0 78 79 A K E +H 158 0C 0 80,-2.1 80,-4.3 -2,-0.3 183,-0.3 -0.990 12.8 170.4-119.9 113.2 36.7 33.7 92.9 79 80 A A - 0 0 0 181,-3.0 23,-1.3 -2,-0.5 2,-0.3 0.628 66.0 -31.1 -95.9 -18.0 38.1 36.5 90.8 80 81 A A E -I 101 0D 0 180,-0.3 182,-1.8 21,-0.2 2,-0.5 -0.960 63.0 -90.6-174.8 176.2 41.7 35.1 90.8 81 82 A I E -Ij 100 262D 2 19,-2.6 19,-3.2 -2,-0.3 2,-0.6 -0.965 33.6-150.1-106.8 130.6 44.4 33.3 92.6 82 83 A K E -Ij 99 263D 36 180,-3.1 182,-2.4 -2,-0.5 2,-0.5 -0.928 10.5-149.2-101.0 119.3 46.6 35.5 94.8 83 84 A F E -Ij 98 264D 0 15,-3.6 15,-1.7 -2,-0.6 2,-0.4 -0.769 12.8-164.4 -94.4 123.7 50.1 34.0 95.1 84 85 A V E -Ij 97 265D 31 180,-2.2 182,-3.0 -2,-0.5 13,-0.2 -0.908 63.2 -12.1-119.0 132.6 51.8 34.9 98.4 85 86 A N S S+ 0 0 41 11,-2.7 -1,-0.2 -2,-0.4 12,-0.1 0.733 89.6 120.7 49.0 33.9 55.5 34.5 99.0 86 87 A W + 0 0 1 10,-0.2 314,-0.6 -3,-0.1 313,-0.5 0.678 64.5 61.4 -90.1 -14.9 56.3 32.4 95.9 87 88 A R S S+ 0 0 89 311,-0.1 312,-0.8 312,-0.1 313,-0.4 0.988 108.9 2.7 -80.0 -64.8 58.8 34.8 94.5 88 89 A K S S- 0 0 142 311,-0.1 312,-0.2 310,-0.1 3,-0.1 -0.667 99.4 -65.2-110.7 168.7 61.8 35.4 96.8 89 90 A S S S- 0 0 58 -2,-0.2 -3,-0.1 310,-0.2 -1,-0.1 -0.502 78.4 -95.4 -43.6 115.9 62.8 33.8 100.1 90 91 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.192 44.4-176.3 -37.2 157.7 59.9 35.2 102.3 91 92 A D > - 0 0 71 3,-0.3 3,-1.5 -3,-0.1 5,-0.2 -0.857 26.1-146.8-165.8 121.4 60.2 38.3 104.4 92 93 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.779 104.0 54.4 -63.8 -23.5 57.6 39.7 106.8 93 94 A S T 3 S+ 0 0 85 -3,-0.1 2,-0.3 2,-0.0 0, 0.0 0.427 101.7 73.9 -92.3 0.2 58.8 43.2 105.9 94 95 A R S < S- 0 0 173 -3,-1.5 2,-0.9 2,-0.0 -3,-0.3 -0.923 74.0-135.5-118.4 144.6 58.2 42.6 102.2 95 96 A D + 0 0 133 -2,-0.3 2,-0.8 -5,-0.1 -2,-0.0 -0.831 28.7 171.4-100.3 95.8 55.0 42.4 100.1 96 97 A D + 0 0 23 -2,-0.9 -11,-2.7 -5,-0.2 2,-0.3 -0.861 27.1 127.0-109.8 87.1 55.5 39.4 97.8 97 98 A H E +I 84 0D 43 -2,-0.8 2,-0.3 -13,-0.2 -13,-0.2 -0.991 25.6 170.6-145.4 137.9 52.1 38.9 96.2 98 99 A F E -I 83 0D 6 -15,-1.7 -15,-3.6 -2,-0.3 2,-0.3 -0.974 23.9-131.4-137.0 153.1 50.8 38.6 92.6 99 100 A Y E -I 82 0D 0 -2,-0.3 2,-0.5 -17,-0.3 -17,-0.2 -0.762 2.0-151.2 -97.7 153.7 47.5 37.7 91.2 100 101 A H E -I 81 0D 1 -19,-3.2 -19,-2.6 -2,-0.3 2,-0.2 -0.985 33.2-162.7-113.7 113.5 46.7 35.2 88.5 101 102 A L E -I 80 0D 0 -2,-0.5 -21,-0.2 -21,-0.2 2,-0.2 -0.538 14.8-124.0-101.0 158.8 43.5 36.7 87.1 102 103 A F + 0 0 11 -23,-1.3 54,-0.3 54,-0.4 -1,-0.1 -0.530 69.8 53.4 -92.0 166.4 40.7 35.3 85.0 103 104 A G S S- 0 0 38 -2,-0.2 2,-0.1 52,-0.1 -2,-0.1 -0.017 85.8 -73.6 91.5 160.0 39.8 36.9 81.7 104 105 A N - 0 0 63 1,-0.0 52,-0.1 341,-0.0 330,-0.0 -0.401 34.8-122.9 -94.8 167.3 41.8 37.9 78.7 105 106 A V - 0 0 3 -2,-0.1 330,-0.2 330,-0.1 340,-0.1 -0.865 35.8-110.7-105.3 138.1 44.2 40.7 78.1 106 107 A P - 0 0 53 0, 0.0 7,-2.5 0, 0.0 2,-0.4 -0.270 24.8-132.4 -70.7 165.5 43.5 43.0 75.3 107 108 A N E -O 112 0E 51 5,-0.2 2,-0.5 329,-0.1 3,-0.0 -0.867 7.8-153.4-109.9 144.4 45.6 43.2 72.2 108 109 A C E > S-O 111 0E 1 3,-2.6 3,-1.6 -2,-0.4 367,-0.1 -0.994 80.4 -21.6-116.0 120.8 46.9 46.4 70.6 109 110 A D T 3 S- 0 0 71 -2,-0.5 -1,-0.1 1,-0.3 362,-0.1 0.895 129.2 -48.7 46.8 49.3 47.6 46.1 66.9 110 111 A G T 3 S+ 0 0 74 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.577 120.3 99.1 77.0 13.6 47.9 42.3 67.1 111 112 A V E < S-O 108 0E 11 -3,-1.6 -3,-2.6 323,-0.0 -1,-0.1 -0.998 76.5-110.4-133.1 128.7 50.3 42.2 70.1 112 113 A P E >> -O 107 0E 3 0, 0.0 3,-2.4 0, 0.0 4,-0.7 -0.302 21.8-119.3 -67.8 144.3 49.2 41.5 73.6 113 114 A L H >> S+ 0 0 0 -7,-2.5 4,-2.5 1,-0.3 3,-0.6 0.771 108.9 70.5 -43.3 -37.8 49.3 44.2 76.3 114 115 A T H 3> S+ 0 0 0 1,-0.2 4,-2.0 -8,-0.2 -1,-0.3 0.821 99.8 50.5 -46.3 -35.4 51.7 42.2 78.4 115 116 A H H <> S+ 0 0 8 -3,-2.4 4,-1.2 2,-0.2 347,-0.3 0.704 106.3 49.8 -86.2 -30.8 54.4 42.9 75.7 116 117 A Y H <>S+ 0 0 24 -4,-2.0 3,-2.7 -3,-0.4 5,-1.8 0.948 104.7 56.1 -64.8 -47.6 58.1 49.7 79.3 121 122 A R H ><5S+ 0 0 71 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.880 101.1 62.3 -52.7 -33.6 59.7 47.8 82.2 122 123 A E T 3<5S+ 0 0 95 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.697 101.7 49.1 -60.9 -23.6 62.8 47.9 80.1 123 124 A Q T < 5S- 0 0 144 -3,-2.7 -1,-0.3 -4,-0.4 -2,-0.2 0.197 134.9 -89.6 -96.8 6.4 62.8 51.7 80.3 124 125 A G T < 5 + 0 0 43 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.618 68.5 161.1 92.5 15.8 62.4 51.4 84.1 125 126 A F < - 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0 0 77 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.564 53.8-113.2 -79.8 138.2 57.1 35.7 71.9 431 432 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.303 29.8-137.6 -59.7 151.0 53.5 35.9 73.0 432 433 A L - 0 0 23 1,-0.2 2,-0.4 -6,-0.0 11,-0.1 0.132 60.6 -30.8 -85.2-145.3 52.0 32.5 73.9 433 434 A T S S- 0 0 97 9,-0.3 11,-3.9 11,-0.0 12,-0.3 -0.598 72.2-179.5 -76.1 127.7 48.5 31.6 72.8 434 435 A T - 0 0 58 -2,-0.4 2,-0.3 9,-0.2 -330,-0.0 -0.618 11.4-149.4-109.1 174.5 46.2 34.7 72.6 435 436 A T 0 0 84 -330,-0.2 -330,-0.1 -2,-0.2 -328,-0.0 -0.974 360.0 360.0-143.1 164.4 42.6 35.1 71.7 436 437 A S 0 0 162 -2,-0.3 -329,-0.1 -330,-0.1 -1,-0.1 0.647 360.0 360.0 -83.1 360.0 40.3 37.8 70.1 437 ! 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 0.0 438 450 A E 0 0 146 0, 0.0 -385,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.6 37.8 26.2 74.8 439 451 A F 0 0 87 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.784 360.0 360.0 -88.2 360.0 40.0 23.0 74.6 440 ! 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 0.0 441 454 A F 0 0 56 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -48.0 42.7 26.7 77.3 442 455 A W - 0 0 16 4,-0.0 -9,-0.3 3,-0.0 5,-0.0 -0.886 360.0-159.9 -99.1 106.2 45.7 28.4 79.2 443 456 A L >> - 0 0 34 -2,-0.6 4,-2.2 -11,-0.1 3,-1.5 -0.099 34.8 -91.6 -90.1 175.9 46.6 31.7 77.4 444 457 A N H 3> S+ 0 0 3 -11,-3.9 4,-2.8 1,-0.3 5,-0.1 0.914 125.7 57.4 -46.7 -48.7 49.5 34.1 77.1 445 458 A G H 3> S+ 0 0 2 -12,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.748 106.7 48.5 -56.2 -29.6 47.8 36.1 79.9 446 459 A N H <> S+ 0 0 19 -3,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.943 112.8 43.8 -80.0 -50.7 48.0 33.0 82.2 447 460 A Y H X S+ 0 0 2 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.918 114.6 55.2 -57.0 -35.7 51.6 32.1 81.6 448 461 A Y H X S+ 0 0 1 -4,-2.8 4,-3.1 -5,-0.3 5,-0.4 0.929 105.1 47.3 -68.6 -48.0 52.3 35.7 82.0 449 462 A C H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.925 118.5 44.5 -54.4 -44.3 50.8 36.3 85.4 450 463 A I H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.988 119.0 38.7 -67.2 -57.4 52.5 33.2 86.7 451 464 A F H <>S+ 0 0 0 -4,-3.2 5,-2.0 1,-0.2 3,-0.4 0.911 119.0 47.5 -59.9 -45.9 56.0 33.8 85.1 452 465 A A H ><5S+ 0 0 11 -4,-3.1 3,-1.1 -5,-0.3 -1,-0.2 0.903 108.8 55.7 -67.5 -38.0 55.9 37.5 85.7 453 466 A G H 3<5S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.799 108.3 47.3 -57.2 -35.7 54.8 37.0 89.4 454 467 A L T 3<5S- 0 0 1 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.359 119.7-110.1 -91.8 0.2 57.8 34.7 90.1 455 468 A G T < 5S+ 0 0 30 -3,-1.1 2,-0.8 -4,-0.4 -3,-0.2 0.703 75.7 131.1 76.6 22.0 60.2 37.1 88.5 456 469 A M < + 0 0 23 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.858 33.0 173.1 -99.4 101.0 61.2 35.3 85.4 457 470 A L - 0 0 46 -2,-0.8 -31,-0.0 1,-0.1 -30,-0.0 -0.636 36.6 -88.1-101.0 158.0 60.7 37.9 82.6 458 471 A P - 0 0 14 0, 0.0 -31,-0.2 0, 0.0 -30,-0.2 -0.148 34.9-111.9 -59.2 162.0 61.7 37.5 79.0 459 472 A D S S- 0 0 109 -32,-2.4 2,-0.3 -33,-0.2 -31,-0.1 0.704 89.4 -19.2 -67.3 -26.4 65.2 38.4 77.7 460 473 A R S S- 0 0 128 -33,-0.4 -1,-0.1 0, 0.0 2,-0.1 -0.976 71.7 -88.0-169.3 171.8 63.8 41.4 75.7 461 474 A S - 0 0 15 -2,-0.3 -345,-0.1 1,-0.1 -31,-0.1 -0.425 67.2 -66.1 -90.3 172.7 60.8 43.0 74.2 462 475 A L >> - 0 0 23 -347,-0.3 3,-2.6 -33,-0.2 4,-0.6 -0.372 31.7-139.9 -74.9 121.6 59.7 42.2 70.6 463 476 A P G >4 S+ 0 0 89 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.817 102.7 66.7 -40.1 -35.7 62.1 43.3 67.8 464 477 A L G >4 S+ 0 0 85 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.768 86.6 67.1 -57.4 -34.4 58.9 44.3 66.0 465 478 A L G X4 S+ 0 0 1 -3,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.759 85.7 67.9 -63.7 -25.6 58.0 47.1 68.4 466 479 A Q G << S+ 0 0 135 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.724 103.2 49.4 -66.5 -15.2 61.0 49.2 67.4 467 480 A H G < S+ 0 0 150 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.524 104.2 56.5-102.6 -9.0 59.2 49.6 64.1 468 481 A R <> + 0 0 101 -3,-1.2 4,-1.5 -4,-0.3 3,-0.3 -0.553 50.7 158.6-130.8 65.3 55.7 50.6 65.2 469 482 A P H > S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.867 79.4 55.1 -57.4 -38.8 55.9 53.7 67.4 470 483 A E H > S+ 0 0 155 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 104.9 55.1 -57.8 -42.7 52.3 54.6 66.8 471 484 A S H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.907 104.3 53.5 -55.6 -41.7 51.4 51.2 68.0 472 485 A I H X S+ 0 0 26 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.901 109.5 49.3 -62.4 -38.4 53.3 51.9 71.2 473 486 A E H X S+ 0 0 130 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.932 105.9 53.7 -67.5 -49.8 51.2 55.1 71.6 474 487 A K H >X S+ 0 0 109 -4,-2.6 4,-2.2 1,-0.2 3,-0.5 0.933 107.8 52.4 -51.7 -46.4 47.9 53.3 71.1 475 488 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.919 102.0 59.8 -58.8 -43.6 48.9 50.9 73.9 476 489 A E H 3X S+ 0 0 69 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.887 106.8 47.6 -44.9 -44.7 49.6 53.9 76.1 477 490 A A H X S+ 0 0 93 -4,-3.0 4,-1.1 2,-0.2 3,-0.6 0.950 110.3 49.4 -54.4 -58.1 39.5 53.8 89.4 488 501 A R H >X S+ 0 0 121 -4,-3.5 3,-1.0 1,-0.2 4,-1.0 0.939 109.7 53.3 -48.6 -49.8 35.8 53.6 88.6 489 502 A L H >X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 3,-1.0 0.874 99.1 63.5 -52.6 -40.1 35.6 50.2 90.1 490 503 A R H << S+ 0 0 152 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.857 114.3 32.0 -55.1 -37.8 37.2 51.4 93.4 491 504 A T H << S+ 0 0 92 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.431 123.7 48.1 -99.7 -5.3 34.2 53.7 94.0 492 505 A S H << S+ 0 0 40 -3,-1.0 -343,-0.4 -4,-1.0 -2,-0.2 0.731 87.1 80.6-109.8 -38.2 31.5 51.5 92.4 493 506 A L S < S- 0 0 12 -4,-2.6 2,-0.2 -5,-0.2 -345,-0.2 -0.527 71.1-132.8 -73.6 143.7 31.8 47.9 93.6 494 507 A P - 0 0 20 0, 0.0 -349,-3.4 0, 0.0 -347,-0.2 -0.556 41.7 -85.4 -80.5 162.0 30.3 46.9 97.0 495 508 A T B > -P 144 0F 52 -351,-0.3 4,-2.7 -2,-0.2 -351,-0.3 -0.261 34.7-117.5 -63.9 160.3 32.5 44.9 99.2 496 509 A N H > S+ 0 0 0 -353,-2.7 4,-2.6 -238,-0.2 5,-0.4 0.900 115.1 55.7 -66.4 -39.1 32.4 41.2 98.6 497 510 A Y H > S+ 0 0 47 -354,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.937 111.8 42.2 -55.6 -51.5 31.0 40.7 102.2 498 511 A D H > S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.927 115.1 50.6 -65.6 -42.6 28.1 43.0 101.6 499 512 A Y H >< S+ 0 0 42 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.959 114.5 40.9 -60.0 -59.8 27.4 41.7 98.1 500 513 A L H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.925 103.1 70.9 -48.9 -49.5 27.3 38.0 99.1 501 514 A R H 3< S+ 0 0 89 -4,-2.5 2,-0.9 -5,-0.4 -1,-0.2 0.764 93.1 62.8 -44.8 -33.7 25.4 38.9 102.3 502 515 A S << + 0 0 91 -3,-1.1 -1,-0.2 -4,-1.0 3,-0.1 -0.726 69.0 86.3-100.7 81.6 22.4 39.7 100.1 503 516 A L S S- 0 0 50 -2,-0.9 -1,-0.2 1,-0.4 2,-0.1 -0.124 132.9 -47.2-138.6 34.2 21.3 36.5 98.3 504 517 A R 0 0 67 -3,-0.2 -1,-0.4 -4,-0.0 -2,-0.0 0.324 360.0 360.0 78.4 123.2 19.3 35.8 101.3 505 518 A D 0 0 161 -3,-0.1 -3,-0.1 -2,-0.1 -4,-0.1 -0.001 360.0 360.0 -49.3 360.0 21.7 36.4 104.3