==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-MAR-07 2EJB . COMPND 2 MOLECULE: PROBABLE AROMATIC ACID DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 0 2 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 A M 0 0 149 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 135.4 0.4 46.5 4.4 2 2 A Q - 0 0 97 26,-0.1 28,-2.0 1,-0.1 2,-0.3 -0.244 360.0-107.2 -79.5 169.8 3.5 44.9 5.9 3 3 A K E -ab 30 76A 87 72,-0.5 74,-2.7 26,-0.2 75,-0.5 -0.755 28.7-170.3 -99.8 144.9 4.3 41.2 6.2 4 4 A I E -ab 31 78A 0 26,-2.2 28,-2.6 -2,-0.3 2,-0.5 -0.987 12.6-145.4-133.7 141.5 4.2 39.2 9.5 5 5 A A E -ab 32 79A 0 73,-2.1 75,-3.3 -2,-0.4 2,-0.4 -0.932 17.5-174.9-109.7 130.1 5.4 35.7 10.1 6 6 A L E -ab 33 80A 0 26,-2.8 28,-2.6 -2,-0.5 2,-0.4 -0.984 5.2-174.6-131.3 122.8 3.5 33.5 12.6 7 7 A C E -ab 34 81A 0 73,-2.9 75,-1.8 -2,-0.4 2,-0.6 -0.958 7.3-161.3-116.6 132.0 4.5 30.0 13.7 8 8 A I E -a 35 0A 6 26,-2.8 28,-2.4 -2,-0.4 31,-0.3 -0.953 13.8-168.7-117.3 114.8 2.3 27.9 16.0 9 9 A T - 0 0 2 74,-1.9 2,-1.4 -2,-0.6 8,-0.1 -0.475 35.7 -87.3 -98.3 170.8 4.0 25.1 17.8 10 10 A G S S+ 0 0 19 -2,-0.2 2,-0.3 32,-0.0 29,-0.2 -0.621 77.9 116.9 -82.4 90.8 2.7 22.1 19.7 11 11 A A S > S- 0 0 15 -2,-1.4 3,-0.5 74,-0.1 2,-0.2 -0.982 74.9 -86.2-151.0 150.4 2.3 23.4 23.3 12 12 A S T 3 S+ 0 0 58 -2,-0.3 31,-0.0 1,-0.2 27,-0.0 -0.425 112.8 48.3 -61.5 124.7 -0.6 24.0 25.6 13 13 A G T >> + 0 0 8 -2,-0.2 3,-1.9 29,-0.1 4,-0.6 0.586 56.5 147.5 116.0 21.1 -2.0 27.4 24.8 14 14 A V H <> + 0 0 3 -3,-0.5 4,-1.3 1,-0.3 3,-0.4 0.728 65.2 76.5 -57.9 -18.6 -2.3 27.1 21.0 15 15 A I H 3> S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.847 84.0 61.2 -61.1 -36.0 -5.3 29.3 21.5 16 16 A Y H <> S+ 0 0 30 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 104.9 48.7 -57.6 -40.8 -3.0 32.3 22.0 17 17 A G H X S+ 0 0 0 -4,-0.6 4,-1.8 -3,-0.4 -1,-0.2 0.819 109.6 51.3 -69.4 -32.1 -1.7 31.8 18.5 18 18 A I H X S+ 0 0 32 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.953 112.0 46.2 -68.3 -50.4 -5.1 31.5 17.0 19 19 A K H X S+ 0 0 50 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 112.1 51.0 -59.3 -42.9 -6.3 34.8 18.6 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.903 109.5 51.8 -62.3 -41.2 -3.1 36.5 17.6 21 21 A L H X S+ 0 0 10 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.940 109.0 49.2 -60.4 -49.1 -3.7 35.3 14.0 22 22 A Q H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.919 111.5 49.4 -58.7 -44.7 -7.2 36.6 13.9 23 23 A V H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.911 107.4 53.6 -63.3 -43.0 -6.2 40.0 15.2 24 24 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 -1,-0.2 0.902 110.8 47.4 -58.1 -42.4 -3.3 40.4 12.7 25 25 A E H ><5S+ 0 0 14 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.937 110.5 51.7 -63.4 -47.4 -5.8 39.7 9.8 26 26 A E H 3<5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.9 52.3 -59.4 -33.7 -8.3 42.2 11.3 27 27 A L T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.326 123.6-108.3 -85.5 8.9 -5.5 44.8 11.5 28 28 A D T < 5 + 0 0 107 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.932 63.2 152.5 65.9 54.4 -4.8 44.1 7.8 29 29 A F < - 0 0 15 -5,-1.6 2,-1.0 -28,-0.1 -1,-0.2 -0.878 49.0-123.1-111.3 143.1 -1.5 42.3 7.9 30 30 A S E -a 3 0A 27 -28,-2.0 -26,-2.2 -2,-0.4 2,-0.5 -0.779 38.3-156.0 -85.0 108.1 -0.3 39.8 5.2 31 31 A V E -ac 4 55A 1 23,-1.3 25,-2.7 -2,-1.0 2,-0.7 -0.776 18.6-162.2 -99.0 127.6 0.3 36.7 7.4 32 32 A D E -ac 5 56A 4 -28,-2.6 -26,-2.8 -2,-0.5 2,-0.4 -0.917 24.7-160.4-101.0 115.5 2.6 33.9 6.5 33 33 A L E -ac 6 57A 6 23,-2.6 25,-3.0 -2,-0.7 2,-0.5 -0.839 19.4-173.5-109.2 136.9 1.5 31.0 8.7 34 34 A V E -ac 7 58A 0 -28,-2.6 -26,-2.8 -2,-0.4 2,-0.5 -0.992 9.1-171.5-125.2 122.9 3.4 27.9 9.8 35 35 A I E -ac 8 59A 48 23,-0.7 25,-0.5 -2,-0.5 -26,-0.2 -0.968 14.0-141.8-120.4 122.0 1.5 25.3 11.8 36 36 A S > - 0 0 7 -28,-2.4 4,-1.4 -2,-0.5 25,-0.0 -0.342 20.6-123.3 -74.3 159.4 3.2 22.3 13.4 37 37 A R H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.922 115.8 58.9 -67.1 -42.7 1.5 18.9 13.4 38 38 A N H > S+ 0 0 84 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.828 104.5 51.1 -53.6 -34.5 1.9 18.9 17.2 39 39 A A H > S+ 0 0 4 -31,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.849 102.5 59.2 -73.8 -35.8 -0.1 22.1 17.2 40 40 A K H X S+ 0 0 113 -4,-1.4 4,-0.8 -3,-0.4 -2,-0.2 0.955 108.5 43.6 -58.4 -52.1 -2.9 20.7 15.1 41 41 A V H >X S+ 0 0 69 -4,-1.7 4,-2.7 1,-0.2 3,-1.1 0.933 110.4 56.9 -59.5 -47.9 -3.7 17.9 17.6 42 42 A V H 3X S+ 0 0 23 -4,-1.5 4,-1.1 1,-0.3 -1,-0.2 0.890 101.4 53.5 -52.2 -49.2 -3.4 20.3 20.6 43 43 A L H 3< S+ 0 0 76 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.760 114.6 45.2 -62.0 -21.3 -6.1 22.8 19.4 44 44 A K H << S+ 0 0 171 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.951 113.1 45.1 -82.1 -61.9 -8.4 19.8 19.1 45 45 A E H < 0 0 176 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.542 360.0 360.0 -59.7 -6.2 -7.6 18.0 22.4 46 46 A E < 0 0 120 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.539 360.0 360.0-119.1 360.0 -7.9 21.5 24.0 47 ! 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 48 54 A V 0 0 166 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.6 -9.0 24.7 9.7 49 55 A L + 0 0 165 2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.648 360.0 173.0 -77.6 103.6 -12.0 26.1 7.8 50 56 A K - 0 0 102 -2,-1.1 0, 0.0 2,-0.1 0, 0.0 -0.916 42.3-157.8-122.0 143.9 -11.3 29.8 8.1 51 57 A G + 0 0 76 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.049 55.8 132.9 -99.9 23.9 -12.9 32.9 6.6 52 58 A L - 0 0 48 1,-0.1 3,-0.3 2,-0.0 2,-0.2 -0.478 48.7-132.4 -79.4 147.6 -9.6 34.8 7.1 53 59 A K S S+ 0 0 133 1,-0.2 -22,-0.3 -2,-0.2 -1,-0.1 -0.672 71.0 8.3-103.4 154.9 -8.1 36.9 4.4 54 60 A N S S+ 0 0 97 -2,-0.2 -23,-1.3 1,-0.2 2,-0.5 0.781 79.3 144.2 50.8 40.3 -4.5 37.2 3.1 55 61 A V E -c 31 0A 44 -3,-0.3 2,-0.6 -25,-0.2 -23,-0.2 -0.929 31.5-164.9-110.7 125.7 -3.0 34.3 4.9 56 62 A R E -c 32 0A 116 -25,-2.7 -23,-2.6 -2,-0.5 2,-0.4 -0.948 12.9-149.6-109.9 119.9 -0.4 32.2 3.1 57 63 A I E -c 33 0A 113 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.737 8.4-162.3 -94.9 137.6 0.2 28.8 4.7 58 64 A H E -c 34 0A 11 -25,-3.0 -23,-0.7 -2,-0.4 2,-0.2 -0.949 26.1-110.4-120.3 137.7 3.6 27.1 4.6 59 65 A E E > -c 35 0A 118 -2,-0.4 3,-2.1 1,-0.2 6,-0.2 -0.444 22.5-129.3 -66.8 131.8 4.3 23.4 5.4 60 66 A E T 3 S+ 0 0 34 -25,-0.5 40,-2.9 1,-0.3 41,-0.4 0.652 111.5 42.9 -55.8 -15.3 6.2 22.8 8.6 61 67 A N T 3 S+ 0 0 108 38,-0.2 2,-1.2 39,-0.1 -1,-0.3 0.460 85.6 107.9-110.0 -4.0 8.5 20.7 6.6 62 68 A D X + 0 0 51 -3,-2.1 3,-1.1 1,-0.2 6,-0.1 -0.620 35.9 173.7 -83.7 95.4 8.9 22.9 3.5 63 69 A F T 3 S+ 0 0 102 -2,-1.2 -1,-0.2 1,-0.2 -3,-0.0 0.314 73.9 71.1 -81.1 7.8 12.4 24.4 3.5 64 70 A T T 3 S+ 0 0 121 3,-0.0 -1,-0.2 5,-0.0 -2,-0.1 0.583 73.4 124.5 -94.0 -14.8 11.8 25.9 0.1 65 71 A S S X S- 0 0 1 -3,-1.1 3,-1.7 -6,-0.2 4,-0.1 -0.015 74.5-122.6 -43.0 142.5 9.4 28.3 1.7 66 72 A P G > S+ 0 0 25 0, 0.0 3,-2.4 0, 0.0 7,-0.3 0.877 110.4 68.0 -58.8 -35.8 10.2 32.0 1.2 67 73 A L G 3 S+ 0 0 0 1,-0.3 40,-0.1 5,-0.1 -2,-0.1 0.685 89.4 64.0 -57.5 -20.3 10.4 32.4 5.0 68 74 A A G < S+ 0 0 9 -3,-1.7 2,-0.5 -6,-0.1 -1,-0.3 0.373 89.2 84.2 -86.9 5.7 13.5 30.2 5.0 69 75 A S X> - 0 0 47 -3,-2.4 4,-3.1 1,-0.2 3,-0.9 -0.941 65.4-154.8-113.6 124.7 15.4 32.8 3.0 70 76 A G H 3> S+ 0 0 6 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.899 97.7 62.4 -59.9 -40.9 17.0 35.8 4.7 71 77 A S H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.813 114.5 35.0 -54.1 -30.8 16.7 37.8 1.5 72 78 A R H X4 S+ 0 0 137 -3,-0.9 3,-1.4 -6,-0.3 -2,-0.2 0.869 114.2 55.3 -90.1 -44.5 12.9 37.4 1.9 73 79 A L H >< S+ 0 0 0 -4,-3.1 3,-2.2 -7,-0.3 -2,-0.2 0.779 89.7 74.0 -62.5 -29.8 12.6 37.5 5.7 74 80 A V T 3< S+ 0 0 64 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.660 90.8 60.8 -61.0 -13.5 14.4 40.9 6.1 75 81 A H T < S+ 0 0 140 -3,-1.4 -72,-0.5 -5,-0.2 -1,-0.3 0.425 84.8 98.4 -94.5 1.6 11.3 42.6 4.7 76 82 A Y E < S-b 3 0A 16 -3,-2.2 -72,-0.2 -74,-0.1 3,-0.1 -0.576 72.8-135.1 -89.1 152.7 9.0 41.4 7.5 77 83 A R E S- 0 0 65 -74,-2.7 2,-0.3 1,-0.3 -73,-0.2 0.746 77.6 -41.9 -76.5 -23.3 8.0 43.5 10.5 78 84 A G E -b 4 0A 0 -75,-0.5 -73,-2.1 35,-0.1 2,-0.5 -0.951 50.4-108.2 171.7 168.9 8.6 40.5 12.8 79 85 A V E -bd 5 115A 0 35,-2.7 37,-3.3 -2,-0.3 2,-0.4 -0.981 24.7-162.9-125.1 124.9 8.3 36.8 13.5 80 86 A Y E -bd 6 116A 0 -75,-3.3 -73,-2.9 -2,-0.5 2,-0.4 -0.851 11.5-171.7-106.2 140.6 6.0 35.3 16.1 81 87 A V E -bd 7 117A 1 35,-2.3 37,-1.9 -2,-0.4 3,-0.2 -0.844 25.6-165.7-129.3 86.6 6.3 31.8 17.5 82 88 A V E S+ 0 0 0 -75,-1.8 2,-0.1 -2,-0.4 37,-0.1 -0.957 74.2 13.6-130.4 111.7 3.0 31.6 19.5 83 89 A P E S- 0 0 1 0, 0.0 -74,-1.9 0, 0.0 2,-0.7 0.619 85.0-163.4 -87.5 160.2 2.9 29.5 21.3 84 90 A C E - d 0 119A 1 34,-3.0 36,-0.5 -3,-0.2 -76,-0.0 -0.906 14.0-141.9-107.9 108.7 6.6 28.4 21.4 85 91 A S > - 0 0 17 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.177 25.3-110.5 -62.8 160.0 7.1 24.9 22.9 86 92 A T H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.839 120.6 55.1 -62.0 -31.5 10.1 24.3 25.2 87 93 A N H > S+ 0 0 88 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.936 109.3 44.2 -66.8 -47.7 11.4 22.1 22.4 88 94 A T H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.891 111.0 55.7 -64.2 -39.3 11.2 24.8 19.8 89 95 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.932 111.9 43.6 -57.3 -46.1 12.7 27.3 22.2 90 96 A S H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 6,-0.3 0.946 111.2 52.9 -65.9 -50.1 15.6 25.0 22.7 91 97 A C H X>S+ 0 0 11 -4,-3.0 5,-2.2 1,-0.2 4,-1.0 0.917 114.2 42.4 -52.7 -46.9 16.0 24.2 19.0 92 98 A I H <5S+ 0 0 5 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.918 113.1 52.0 -67.8 -43.6 16.1 28.0 18.1 93 99 A A H <5S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.790 119.5 36.9 -62.5 -29.9 18.4 28.9 21.0 94 100 A N H <5S- 0 0 98 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.493 109.5-119.8-101.1 -7.3 20.8 26.1 19.9 95 101 A G T <5 + 0 0 39 -4,-1.0 2,-0.5 -3,-0.4 -3,-0.2 0.716 62.2 146.2 76.6 18.3 20.5 26.6 16.2 96 102 A I < - 0 0 104 -5,-2.2 2,-0.6 -6,-0.3 -1,-0.3 -0.796 33.6-158.3 -88.5 127.8 19.2 23.0 15.7 97 103 A N + 0 0 46 -2,-0.5 3,-0.1 1,-0.1 -9,-0.0 -0.870 31.2 154.0-117.6 102.9 16.7 23.0 12.9 98 104 A K S S+ 0 0 142 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.646 73.9 12.2 -94.6 -20.8 14.2 20.1 12.8 99 105 A N S > S- 0 0 20 1,-0.1 4,-1.8 -37,-0.0 3,-0.4 -0.894 88.0 -89.6-146.6 176.2 11.5 21.9 10.9 100 106 A L H > S+ 0 0 0 -40,-2.9 4,-2.8 -2,-0.3 5,-0.2 0.881 120.3 61.2 -57.3 -41.8 10.8 25.1 9.0 101 107 A I H > S+ 0 0 1 -41,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.888 104.3 47.6 -53.8 -44.1 9.8 26.9 12.2 102 108 A H H > S+ 0 0 1 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.929 111.3 52.1 -64.8 -42.6 13.3 26.4 13.6 103 109 A R H X S+ 0 0 70 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.907 106.5 52.8 -58.8 -44.8 14.8 27.6 10.4 104 110 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.841 108.2 51.4 -61.9 -33.8 12.7 30.8 10.4 105 111 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.915 110.6 48.0 -68.9 -41.7 13.9 31.5 14.0 106 112 A E H X S+ 0 0 63 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.890 113.2 48.4 -64.7 -39.7 17.5 31.1 12.8 107 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 6,-0.2 0.917 110.1 50.8 -67.1 -44.4 16.9 33.3 9.8 108 114 A A H X>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 4,-0.5 0.924 112.5 48.3 -58.3 -45.0 15.3 36.0 11.9 109 115 A L H ><5S+ 0 0 20 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.923 115.2 41.9 -63.1 -47.9 18.2 35.9 14.4 110 116 A K H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 120.8 42.8 -72.9 -25.0 20.9 36.2 11.7 111 117 A E H 3<5S- 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.412 110.2-123.5 -98.0 0.7 19.0 38.8 9.7 112 118 A R T <<5 + 0 0 207 -3,-0.5 -3,-0.2 -4,-0.5 -4,-0.1 0.862 53.3 160.1 58.7 38.7 18.1 40.6 12.9 113 119 A V < - 0 0 11 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 54.7 -91.7 -88.8 132.1 14.4 40.4 12.1 114 120 A P - 0 0 61 0, 0.0 -35,-2.7 0, 0.0 2,-0.5 -0.150 46.2-164.7 -45.8 129.5 12.3 40.9 15.3 115 121 A L E -d 79 0A 5 24,-0.3 26,-2.7 -37,-0.2 2,-0.5 -0.985 6.4-173.7-124.2 122.1 11.6 37.5 16.9 116 122 A V E -de 80 141A 1 -37,-3.3 -35,-2.3 -2,-0.5 2,-0.4 -0.965 0.7-171.1-122.9 125.9 8.9 37.1 19.5 117 123 A L E -de 81 142A 0 24,-2.7 26,-3.7 -2,-0.5 2,-0.7 -0.913 13.8-154.4-117.3 138.8 8.3 33.9 21.5 118 124 A L E - e 0 143A 0 -37,-1.9 -34,-3.0 -2,-0.4 2,-0.4 -0.935 20.2-163.4-111.1 107.6 5.4 33.1 23.9 119 125 A V E -de 84 144A 4 24,-1.9 26,-3.0 -2,-0.7 2,-0.4 -0.776 12.7-177.6 -97.5 136.7 6.5 30.5 26.4 120 126 A R + 0 0 99 -36,-0.5 2,-0.3 -2,-0.4 -108,-0.2 -0.870 31.9 120.2-135.1 96.1 4.1 28.5 28.5 121 127 A E - 0 0 61 -2,-0.4 3,-0.1 -36,-0.1 24,-0.1 -0.984 43.8-130.6-154.2 155.0 5.8 26.1 30.9 122 128 A A S S+ 0 0 63 1,-0.4 2,-0.2 -2,-0.3 3,-0.0 -0.858 78.5 15.2-169.8 128.8 5.8 25.6 34.7 123 129 A P S S- 0 0 118 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.682 83.1-134.7 -80.7 175.5 7.9 25.2 36.7 124 130 A Y - 0 0 92 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.0 -0.734 15.0-157.4 -92.4 142.8 11.0 26.4 34.8 125 131 A N > - 0 0 71 -2,-0.3 4,-1.8 1,-0.0 5,-0.2 -0.595 39.4 -93.1-106.2 176.1 14.2 24.3 35.0 126 132 A E H > S+ 0 0 155 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.859 124.5 56.3 -58.1 -38.3 17.7 25.8 34.4 127 133 A I H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 105.4 50.7 -60.9 -45.0 17.6 24.8 30.7 128 134 A H H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 113.1 47.2 -57.1 -46.6 14.3 26.7 30.1 129 135 A L H X S+ 0 0 80 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.901 112.9 46.7 -63.3 -45.4 15.8 29.8 31.8 130 136 A E H X S+ 0 0 121 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.863 110.5 52.6 -69.1 -34.1 19.1 29.7 29.9 131 137 A N H X S+ 0 0 17 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.6 46.4 -66.7 -41.8 17.4 29.2 26.6 132 138 A M H X S+ 0 0 18 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.870 112.0 52.2 -66.5 -35.5 15.2 32.2 27.2 133 139 A L H X S+ 0 0 75 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.895 109.1 49.0 -67.0 -42.2 18.3 34.2 28.3 134 140 A K H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 6,-0.2 0.933 111.9 48.5 -63.8 -45.4 20.2 33.3 25.1 135 141 A I H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 -2,-0.2 0.959 114.2 47.9 -57.1 -50.4 17.2 34.3 22.9 136 142 A T H ><5S+ 0 0 70 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.925 110.1 49.1 -56.2 -52.7 16.9 37.6 24.9 137 143 A R H 3<5S+ 0 0 198 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.0 59.9 -59.6 -30.1 20.6 38.4 24.7 138 144 A M T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.456 128.7 -96.8 -78.7 1.3 20.5 37.7 21.0 139 145 A G T < 5S+ 0 0 60 -3,-2.2 -24,-0.3 1,-0.4 -3,-0.2 0.264 84.7 128.6 103.9 -12.6 17.8 40.5 20.6 140 146 A G < - 0 0 5 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.4 -0.291 54.6-127.9 -73.1 163.0 14.8 38.2 20.6 141 147 A V E -e 116 0A 57 -26,-2.7 -24,-2.7 -3,-0.1 2,-0.6 -0.963 14.5-157.4-118.3 126.1 11.9 38.9 23.0 142 148 A V E -e 117 0A 31 -2,-0.5 -24,-0.2 -26,-0.2 -26,-0.1 -0.894 9.0-174.9-105.7 122.2 10.5 36.2 25.3 143 149 A V E -e 118 0A 17 -26,-3.7 -24,-1.9 -2,-0.6 2,-0.2 -0.959 14.9-146.8-116.9 116.3 7.0 36.6 26.5 144 150 A P E -e 119 0A 51 0, 0.0 2,-2.5 0, 0.0 -24,-0.2 -0.563 27.0-114.8 -79.1 147.4 5.7 34.1 29.1 145 151 A A + 0 0 18 -26,-3.0 -27,-0.0 -2,-0.2 18,-0.0 -0.491 69.3 137.1 -80.3 72.6 2.0 33.3 28.8 146 152 A S - 0 0 75 -2,-2.5 -1,-0.1 17,-0.1 -26,-0.0 -0.770 40.0-158.2-121.2 84.7 1.4 34.9 32.2 147 153 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 12,-0.1 -0.243 10.2-142.9 -61.6 151.3 -1.8 37.0 32.1 148 154 A A - 0 0 24 11,-0.1 3,-0.1 1,-0.0 14,-0.1 -0.620 13.1-132.6-109.3 172.5 -2.2 39.7 34.7 149 155 A F S > S+ 0 0 156 -2,-0.2 3,-1.6 1,-0.1 10,-0.0 0.085 70.5 113.5-111.7 21.5 -5.2 41.0 36.6 150 156 A Y T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.962 82.3 43.6 -54.4 -56.0 -4.6 44.7 36.0 151 157 A H T 3 S- 0 0 147 -3,-0.1 -1,-0.3 7,-0.1 -2,-0.1 0.168 114.5-116.1 -78.0 17.9 -7.7 45.1 33.8 152 158 A K < - 0 0 187 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.1 0.953 38.3-147.4 44.7 70.4 -9.9 42.9 36.2 153 159 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.285 22.3-173.5 -66.7 154.1 -10.5 40.1 33.7 154 160 A Q + 0 0 166 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.660 65.2 32.7-116.0 -33.8 -13.8 38.2 33.8 155 161 A S S >> S- 0 0 36 1,-0.1 4,-1.0 0, 0.0 3,-0.6 -0.764 80.9-110.1-123.4 169.7 -13.4 35.4 31.3 156 162 A I H 3> S+ 0 0 126 1,-0.3 4,-2.0 -2,-0.3 3,-0.2 0.811 120.8 63.3 -64.6 -27.5 -10.6 33.3 30.0 157 163 A D H 3> S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 96.5 55.5 -64.4 -36.9 -11.1 35.4 26.8 158 164 A D H <> S+ 0 0 62 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.819 109.2 47.0 -66.9 -30.9 -10.1 38.5 28.8 159 165 A M H X S+ 0 0 50 -4,-1.0 4,-2.0 -3,-0.2 -2,-0.2 0.844 109.3 53.1 -79.0 -34.5 -6.8 36.8 29.7 160 166 A I H X S+ 0 0 15 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 109.5 49.0 -64.8 -43.7 -6.1 35.6 26.2 161 167 A N H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.848 107.2 56.6 -64.7 -34.7 -6.6 39.1 24.8 162 168 A F H X S+ 0 0 36 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.966 111.0 41.9 -60.6 -52.9 -4.2 40.5 27.5 163 169 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.905 114.6 51.6 -61.6 -42.4 -1.4 38.2 26.4 164 170 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.879 108.9 51.7 -62.5 -37.5 -2.2 38.8 22.7 165 171 A G H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.864 107.4 52.5 -66.9 -35.9 -2.0 42.6 23.4 166 172 A K H X S+ 0 0 109 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.902 108.2 51.4 -65.1 -41.4 1.3 42.1 25.0 167 173 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.883 111.0 47.1 -63.9 -39.9 2.6 40.3 22.0 168 174 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 3,-0.8 0.887 107.2 56.8 -70.2 -37.9 1.4 43.1 19.7 169 175 A D H ><5S+ 0 0 80 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.829 95.4 67.4 -61.7 -31.4 3.0 45.8 21.9 170 176 A V H 3<5S+ 0 0 33 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.890 110.2 34.4 -56.5 -38.9 6.3 44.0 21.5 171 177 A L T <<5S- 0 0 19 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.238 114.9-114.5-101.8 15.8 6.3 45.0 17.8 172 178 A R T < 5 + 0 0 192 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.773 58.1 159.5 59.9 29.3 4.6 48.3 18.4 173 179 A I < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.756 41.2-124.5 -86.6 119.2 1.5 47.2 16.4 174 180 A E + 0 0 168 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.0 -0.349 43.6 157.3 -63.3 139.6 -1.5 49.5 17.4 175 181 A H - 0 0 47 -2,-0.1 -10,-0.0 -10,-0.0 -1,-0.0 -0.935 45.0-133.1-154.9 174.2 -4.5 47.6 18.7 176 182 A N 0 0 155 -2,-0.3 -2,-0.1 1,-0.1 -11,-0.0 -0.224 360.0 360.0-129.9 43.3 -7.7 47.9 20.8 177 183 A L 0 0 76 -16,-0.1 -15,-0.1 -15,-0.1 -16,-0.1 0.879 360.0 360.0 -98.2 360.0 -7.7 44.7 23.0