==== 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 OXIDOREDUCTASE 31-OCT-05 2EV9 . COMPND 2 MOLECULE: SHIKIMATE 5-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.8 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 . 2 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 . 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 . 26 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 0 2 0 2 0 0 9 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 8 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 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 2 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 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 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 0 122 0, 0.0 2,-0.8 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 -6.0 19.5 24.5 39.5 2 2 A L E -a 31 0A 2 28,-1.6 30,-2.6 52,-0.1 2,-0.6 -0.662 360.0-168.8 -78.4 107.4 19.6 23.3 35.8 3 3 A R E +a 32 0A 113 -2,-0.8 52,-1.8 28,-0.2 53,-1.0 -0.890 15.8 159.4-106.3 115.8 21.8 20.2 35.8 4 4 A F E +ab 33 56A 0 28,-2.6 30,-1.6 -2,-0.6 2,-0.3 -0.753 8.5 167.3-125.8 173.0 22.9 19.0 32.3 5 5 A A E -ab 34 57A 0 51,-0.6 53,-1.9 28,-0.3 2,-0.6 -0.940 34.0-112.9-179.4 156.3 25.6 16.8 30.8 6 6 A V E -ab 35 58A 6 28,-2.4 30,-2.5 -2,-0.3 2,-0.5 -0.915 29.7-153.5-105.7 123.3 26.7 14.9 27.7 7 7 A L E +ab 36 59A 3 51,-3.3 53,-2.3 -2,-0.6 2,-0.3 -0.830 44.1 81.4 -99.4 129.7 26.8 11.1 28.1 8 8 A G E -a 37 0A 0 28,-1.2 30,-2.3 -2,-0.5 3,-0.2 -0.955 69.5 -69.6 164.0-179.2 29.2 9.0 25.9 9 9 A H S S+ 0 0 94 52,-2.5 2,-0.1 1,-0.4 31,-0.1 -0.878 110.7 20.0-153.8 117.4 32.7 7.7 25.4 10 10 A P S S+ 0 0 103 0, 0.0 -1,-0.4 0, 0.0 51,-0.1 0.549 73.5 139.4 -84.3 162.3 34.9 9.5 24.7 11 11 A V > + 0 0 8 -3,-0.2 3,-1.9 -2,-0.1 -2,-0.1 0.201 37.4 110.2-142.3 5.1 33.5 12.9 25.8 12 12 A A T 3 S+ 0 0 80 1,-0.3 23,-0.1 3,-0.0 -3,-0.0 0.835 89.0 35.3 -54.4 -38.0 36.7 14.3 27.3 13 13 A H T 3 S+ 0 0 142 3,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.048 85.7 143.9-107.6 25.6 37.1 16.8 24.5 14 14 A S < - 0 0 34 -3,-1.9 4,-0.3 1,-0.1 -3,-0.1 -0.345 42.5-152.9 -63.2 143.9 33.4 17.5 23.9 15 15 A L S > S+ 0 0 2 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.424 77.8 89.2 -97.9 -1.3 32.6 21.1 23.0 16 16 A S H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.919 79.6 56.5 -63.3 -46.5 29.1 20.8 24.5 17 17 A P H > S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 111.6 45.4 -53.0 -42.3 30.1 21.9 28.1 18 18 A A H > S+ 0 0 35 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.949 113.7 47.4 -65.2 -50.7 31.5 25.1 26.6 19 19 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.901 116.4 43.8 -57.0 -44.7 28.5 25.8 24.3 20 20 A H H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.755 105.1 60.3 -76.2 -26.2 26.0 25.2 27.1 21 21 A A H X S+ 0 0 54 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.896 110.1 46.7 -66.2 -33.8 28.0 27.2 29.7 22 22 A F H X S+ 0 0 55 -4,-1.6 4,-3.6 2,-0.2 5,-0.2 0.886 109.2 52.8 -70.7 -43.2 27.4 30.0 27.2 23 23 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 6,-0.2 0.954 112.4 44.8 -58.0 -52.4 23.7 29.2 26.7 24 24 A L H ><>S+ 0 0 7 -4,-2.7 5,-3.0 2,-0.2 3,-0.5 0.964 118.5 42.6 -56.5 -55.0 23.1 29.3 30.5 25 25 A E H ><5S+ 0 0 155 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.954 112.4 52.2 -57.1 -54.9 25.2 32.5 31.0 26 26 A S H 3<5S+ 0 0 56 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.743 113.1 46.8 -55.4 -25.5 23.8 34.3 27.9 27 27 A L T <<5S- 0 0 52 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.240 113.5-116.6-101.5 11.1 20.2 33.5 29.2 28 28 A G T < 5 + 0 0 70 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.831 68.3 142.6 58.4 33.1 20.9 34.7 32.7 29 29 A L < - 0 0 15 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.2 -0.785 48.9-133.2-107.2 150.2 20.3 31.1 34.0 30 30 A E + 0 0 153 -2,-0.3 -28,-1.6 -3,-0.1 2,-0.3 -0.885 55.9 94.2-102.6 127.4 22.1 29.3 36.8 31 31 A G E -a 2 0A 30 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.983 54.4-112.0 176.7-171.7 23.2 25.8 36.0 32 32 A S E -a 3 0A 41 -30,-2.6 -28,-2.6 -2,-0.3 2,-0.4 -0.980 5.8-160.0-148.2 156.8 25.9 23.4 34.8 33 33 A Y E -a 4 0A 18 -2,-0.3 -28,-0.3 -30,-0.2 2,-0.2 -0.926 23.2-177.3-141.4 111.5 26.8 21.2 31.8 34 34 A E E -a 5 0A 67 -30,-1.6 -28,-2.4 -2,-0.4 2,-0.6 -0.726 31.2-115.9-113.5 161.2 29.4 18.5 32.4 35 35 A A E -a 6 0A 44 -2,-0.2 2,-0.6 -30,-0.2 -28,-0.1 -0.844 32.5-170.2 -93.3 118.9 31.1 15.8 30.3 36 36 A W E -a 7 0A 82 -30,-2.5 -28,-1.2 -2,-0.6 -31,-0.0 -0.813 17.4-138.5-118.1 94.0 30.2 12.4 31.7 37 37 A D E +a 8 0A 71 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.220 32.8 171.1 -51.5 122.0 32.1 9.4 30.4 38 38 A T - 0 0 0 -30,-2.3 2,-0.1 8,-0.0 25,-0.1 -0.930 18.5-157.0-144.5 116.0 29.7 6.6 29.8 39 39 A P > - 0 0 43 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.456 38.4 -99.3 -86.0 162.7 30.2 3.2 28.0 40 40 A L G > S+ 0 0 78 1,-0.3 3,-1.6 2,-0.2 21,-0.0 0.902 124.3 48.0 -42.5 -56.0 27.5 1.0 26.4 41 41 A E G 3 S+ 0 0 156 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.813 109.0 53.1 -58.7 -36.3 27.4 -1.2 29.5 42 42 A A G <> S+ 0 0 35 -3,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.328 88.8 86.4 -85.1 9.0 27.2 1.7 32.0 43 43 A L H <> S+ 0 0 1 -3,-1.6 4,-2.3 -4,-0.4 5,-0.3 0.967 77.2 57.6 -74.3 -55.0 24.2 3.2 30.2 44 44 A P H > S+ 0 0 54 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.845 116.3 38.7 -44.3 -40.8 21.2 1.4 31.8 45 45 A G H >> S+ 0 0 36 -4,-0.3 4,-1.7 2,-0.2 3,-0.8 0.894 108.5 60.6 -78.9 -41.5 22.4 2.6 35.2 46 46 A R H 3X S+ 0 0 44 -4,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.861 102.6 54.2 -53.5 -38.7 23.5 6.1 34.1 47 47 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.830 101.6 57.7 -67.6 -31.6 19.9 6.8 33.0 48 48 A K H X S+ 0 0 98 -4,-1.7 4,-2.2 1,-0.2 3,-1.4 0.925 107.1 57.1 -63.4 -46.1 20.9 8.6 37.8 50 50 A V H 3X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.903 101.5 57.8 -50.8 -44.5 19.7 11.1 35.2 51 51 A R H 3< S+ 0 0 74 -4,-2.1 41,-0.3 1,-0.2 -1,-0.3 0.791 111.6 43.0 -57.1 -29.5 16.2 10.5 36.4 52 52 A R H << S+ 0 0 206 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.887 132.4 7.7 -88.2 -43.6 17.2 11.6 39.8 53 53 A A H < S+ 0 0 46 -4,-2.2 2,-0.4 1,-0.0 -3,-0.2 0.335 106.1 83.3-126.8 10.3 19.5 14.7 39.4 54 54 A F < - 0 0 12 -4,-2.3 -50,-0.2 -5,-0.4 3,-0.1 -0.958 47.7-163.5-124.0 132.9 19.4 15.7 35.8 55 55 A R S S- 0 0 19 -52,-1.8 34,-3.6 -2,-0.4 2,-0.3 0.841 80.5 -25.0 -72.6 -34.7 17.0 17.9 33.9 56 56 A G E -bC 4 88A 0 -53,-1.0 -51,-0.6 32,-0.3 2,-0.3 -0.980 56.7-156.0-172.1 161.0 18.4 16.6 30.6 57 57 A V E -bC 5 87A 0 30,-1.9 30,-3.4 -2,-0.3 2,-0.4 -0.986 16.3-131.1-146.4 155.6 21.3 15.1 28.8 58 58 A N E -bC 6 86A 5 -53,-1.9 -51,-3.3 -2,-0.3 2,-0.4 -0.820 23.9-149.3-102.1 146.5 22.8 14.8 25.3 59 59 A L E +b 7 0A 4 26,-1.5 2,-0.2 -2,-0.4 -51,-0.2 -0.966 21.6 165.8-120.4 136.5 23.9 11.4 24.2 60 60 A T >> + 0 0 43 -53,-2.3 3,-2.8 -2,-0.4 4,-0.7 -0.597 40.6 8.6-130.2-168.0 26.8 10.7 21.7 61 61 A L T 34 S+ 0 0 117 1,-0.3 -52,-2.5 -2,-0.2 -1,-0.2 -0.289 125.0 2.9 -55.0 132.7 28.8 7.7 20.6 62 62 A P T 34 S+ 0 0 51 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.836 123.5 61.7-110.8 34.5 28.1 5.0 21.4 63 63 A L T <> S+ 0 0 0 -3,-2.8 4,-2.2 -56,-0.2 -2,-0.2 0.726 75.2 88.8 -88.2 -24.6 24.9 5.6 23.4 64 64 A K T < S+ 0 0 30 -4,-0.7 20,-1.9 1,-0.2 4,-0.4 0.827 94.6 37.4 -43.0 -50.8 22.6 7.1 20.8 65 65 A E T >4 S+ 0 0 97 18,-0.2 3,-0.9 -3,-0.2 4,-0.3 0.924 116.8 48.6 -73.2 -45.6 21.1 3.9 19.4 66 66 A A G >4 S+ 0 0 41 -4,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.797 93.5 77.6 -65.8 -30.7 20.9 1.8 22.7 67 67 A A G >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.756 79.3 71.6 -51.7 -31.5 19.2 4.6 24.6 68 68 A L G X S+ 0 0 37 -3,-0.9 3,-1.3 -4,-0.4 -1,-0.2 0.891 90.8 55.9 -55.1 -45.7 15.8 4.0 23.0 69 69 A A G < S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.393 108.5 51.7 -71.0 5.2 15.1 0.7 24.9 70 70 A H G < S+ 0 0 75 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 -0.050 92.1 90.2-131.4 32.9 15.6 2.6 28.2 71 71 A L < - 0 0 25 -3,-1.3 24,-0.1 1,-0.1 3,-0.1 -0.936 68.0-135.7-130.7 153.9 13.3 5.5 27.8 72 72 A D S S+ 0 0 57 22,-1.5 2,-0.3 -2,-0.3 23,-0.2 0.845 92.2 9.6 -73.8 -34.7 9.6 6.1 28.7 73 73 A W E -d 95 0A 34 21,-1.7 23,-3.2 262,-0.0 2,-0.4 -0.997 61.1-164.1-150.1 142.2 8.9 7.9 25.4 74 74 A V E -d 96 0A 13 -2,-0.3 23,-0.2 21,-0.2 5,-0.0 -0.996 29.7-113.7-129.6 131.8 10.7 8.4 22.1 75 75 A S > - 0 0 0 21,-2.5 4,-2.6 -2,-0.4 5,-0.2 -0.210 26.6-114.8 -62.1 151.6 9.7 10.9 19.4 76 76 A P H > S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.907 118.7 47.0 -53.9 -41.8 8.4 9.7 16.0 77 77 A E H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.921 110.8 49.4 -67.4 -44.5 11.5 11.2 14.4 78 78 A A H >>S+ 0 0 0 18,-0.2 4,-1.6 1,-0.2 5,-1.1 0.876 111.7 52.6 -62.1 -34.9 13.9 9.8 16.9 79 79 A Q H <5S+ 0 0 105 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.962 111.3 43.8 -63.0 -55.4 12.2 6.4 16.3 80 80 A R H <5S+ 0 0 162 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.9 47.0 -58.9 -44.4 12.6 6.5 12.6 81 81 A I H <5S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.825 104.8-136.3 -67.2 -30.5 16.2 7.7 12.7 82 82 A G T <5 + 0 0 22 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.636 68.8 87.4 83.9 14.6 16.8 5.0 15.3 83 83 A A < - 0 0 2 -5,-1.1 2,-0.4 -6,-0.2 -18,-0.2 -0.999 56.5-154.4-150.5 146.3 18.8 7.3 17.6 84 84 A V + 0 0 0 -20,-1.9 14,-0.2 -2,-0.3 -17,-0.2 -0.964 16.3 167.9-119.4 131.8 18.4 9.8 20.4 85 85 A N + 0 0 2 12,-1.6 -26,-1.5 -2,-0.4 2,-0.4 0.403 69.8 53.2-119.1 -5.5 20.9 12.5 21.1 86 86 A T E -CE 58 97A 0 11,-1.7 11,-2.6 -28,-0.3 2,-0.4 -0.977 60.7-173.0-138.9 124.7 18.7 14.5 23.5 87 87 A V E -CE 57 96A 0 -30,-3.4 -30,-1.9 -2,-0.4 2,-0.4 -0.949 6.7-159.8-119.6 136.0 17.0 13.3 26.7 88 88 A L E -CE 56 95A 0 7,-2.2 7,-2.1 -2,-0.4 2,-0.5 -0.951 7.9-152.5-114.1 132.1 14.6 15.3 28.8 89 89 A Q E + E 0 94A 29 -34,-3.6 2,-0.3 -2,-0.4 5,-0.2 -0.911 23.3 159.0-109.9 123.9 13.8 14.4 32.5 90 90 A V E > S- E 0 93A 3 3,-1.9 3,-2.7 -2,-0.5 -2,-0.0 -0.975 73.6 -11.0-143.7 127.5 10.5 15.2 34.1 91 91 A E T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.3 -40,-0.1 0.826 126.8 -59.4 52.0 35.7 9.0 13.5 37.2 92 92 A G T 3 S+ 0 0 22 -41,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.492 111.9 124.4 74.9 1.6 11.7 10.8 36.8 93 93 A R E < - E 0 90A 59 -3,-2.7 -3,-1.9 -42,-0.1 2,-0.5 -0.668 52.7-140.5 -94.1 151.1 10.4 10.0 33.4 94 94 A L E - E 0 89A 0 -2,-0.3 -21,-1.7 -5,-0.2 -22,-1.5 -0.952 13.9-171.3-119.0 127.4 12.7 10.1 30.3 95 95 A F E -dE 73 88A 0 -7,-2.1 -7,-2.2 -2,-0.5 2,-0.4 -0.949 13.4-146.6-115.8 132.6 11.7 11.3 26.9 96 96 A G E +dE 74 87A 0 -23,-3.2 -21,-2.5 -2,-0.4 2,-0.3 -0.845 22.6 165.3-106.0 136.4 14.0 10.9 23.9 97 97 A F E - E 0 86A 0 -11,-2.6 -11,-1.7 -2,-0.4 -12,-1.6 -0.845 30.2-130.8-135.8 171.5 14.4 13.3 21.0 98 98 A N + 0 0 4 -2,-0.3 -14,-0.1 -14,-0.2 5,-0.1 -0.940 24.8 167.5-131.1 110.5 16.7 13.9 18.1 99 99 A T > + 0 0 1 -2,-0.5 4,-1.7 2,-0.1 5,-0.2 0.430 67.2 81.7 -98.7 -1.2 18.0 17.4 17.5 100 100 A D H > S+ 0 0 16 2,-0.2 4,-2.2 3,-0.2 5,-0.1 0.929 93.8 46.4 -66.9 -44.3 20.7 16.3 15.1 101 101 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.973 119.0 36.9 -65.0 -56.3 18.2 16.2 12.2 102 102 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.860 115.8 57.2 -66.8 -28.6 16.5 19.5 12.8 103 103 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.905 102.4 53.6 -65.0 -43.6 19.8 21.0 13.8 104 104 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.918 110.2 47.4 -56.8 -46.6 21.4 20.1 10.5 105 105 A L H X S+ 0 0 38 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.894 111.9 49.3 -63.7 -40.6 18.6 21.8 8.5 106 106 A E H X S+ 0 0 56 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.883 109.5 53.3 -66.4 -37.8 18.8 25.0 10.7 107 107 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.915 108.4 49.1 -62.9 -44.9 22.6 25.1 10.2 108 108 A L H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 -2,-0.2 0.923 114.6 45.2 -60.6 -46.0 22.2 24.9 6.4 109 109 A K H ><5S+ 0 0 157 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.964 115.1 45.5 -63.5 -52.8 19.7 27.7 6.4 110 110 A A H 3<5S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.8 55.1 -60.9 -30.5 21.6 30.0 8.8 111 111 A G T 3<5S- 0 0 34 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.332 115.1-112.6 -87.3 8.5 24.8 29.3 6.9 112 112 A G T < 5 + 0 0 37 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.778 64.6 151.4 68.4 25.0 23.4 30.4 3.5 113 113 A I < - 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0 0 1 -2,-1.2 4,-2.7 -3,-0.3 5,-0.2 -0.145 38.0-106.6 -68.1 165.6 -13.2 27.3 56.6 475 213 B R H > S+ 0 0 130 -25,-0.6 4,-3.3 -28,-0.3 5,-0.3 0.907 122.2 60.0 -61.2 -37.5 -15.4 26.1 59.3 476 214 B F H > S+ 0 0 2 -26,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.940 109.9 39.4 -52.1 -54.9 -13.7 22.7 58.9 477 215 B L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 114.1 53.6 -65.5 -43.1 -10.3 24.2 59.7 478 216 B R H X S+ 0 0 158 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.953 113.0 43.7 -57.1 -49.6 -11.6 26.5 62.5 479 217 B E H X S+ 0 0 46 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.930 112.9 52.8 -61.4 -44.2 -13.2 23.5 64.2 480 218 B A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 -1,-0.2 0.882 110.9 47.1 -57.4 -41.8 -10.1 21.4 63.6 481 219 B K H ><5S+ 0 0 131 -4,-2.8 3,-2.2 3,-0.2 -1,-0.2 0.925 108.3 53.6 -67.5 -46.2 -7.9 24.0 65.2 482 220 B A H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.2 56.0 -57.3 -36.4 -10.2 24.5 68.2 483 221 B K T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.531 123.8-109.0 -74.0 -5.1 -9.9 20.7 68.7 484 222 B G T < 5S+ 0 0 61 -3,-2.2 -22,-0.2 1,-0.3 -3,-0.2 0.626 70.1 142.1 88.8 14.4 -6.1 21.2 68.8 485 223 B L < - 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.482 58.6-104.3 -85.6 158.6 -5.2 19.6 65.5 486 224 B K E -t 463 0D 113 -24,-2.3 -22,-2.9 -2,-0.1 2,-0.3 -0.625 45.9-160.4 -77.7 141.4 -2.5 20.9 63.2 487 225 B V E -t 464 0D 34 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.946 20.5-175.0-131.2 151.6 -4.1 22.7 60.3 488 226 B Q E -t 465 0D 12 -24,-1.7 -22,-1.7 -2,-0.3 -118,-0.0 -0.998 20.5-135.1-141.1 135.6 -3.2 23.8 56.7 489 227 B T - 0 0 9 -2,-0.4 4,-0.4 -24,-0.2 -20,-0.1 -0.139 32.2-101.9 -78.4-177.6 -5.2 25.8 54.3 490 228 B G S > S+ 0 0 1 -22,-0.5 4,-1.6 -18,-0.3 -21,-0.2 0.604 105.0 79.9 -83.8 -10.4 -5.7 25.0 50.7 491 229 B L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 83.7 58.3 -67.6 -37.9 -3.2 27.6 49.4 492 230 B P H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.934 109.1 45.7 -59.0 -42.7 0.0 25.7 50.1 493 231 B M H > S+ 0 0 26 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.906 112.3 51.5 -64.6 -41.1 -1.1 22.8 47.8 494 232 B L H X S+ 0 0 22 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.917 111.7 48.0 -60.6 -42.7 -2.2 25.3 45.2 495 233 B A H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.903 113.7 45.1 -66.2 -44.7 1.2 26.9 45.3 496 234 B W H X S+ 0 0 46 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.909 109.5 52.7 -69.3 -42.1 3.2 23.7 45.1 497 235 B Q H X S+ 0 0 11 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.879 114.9 45.7 -61.4 -31.3 1.2 22.1 42.3 498 236 B G H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.871 113.3 46.9 -77.1 -37.4 1.9 25.3 40.4 499 237 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.886 112.6 50.6 -70.3 -38.6 5.6 25.5 41.3 500 238 B L H X S+ 0 0 16 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.888 109.7 51.3 -66.2 -36.7 5.9 21.9 40.4 501 239 B A H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.901 108.5 50.9 -66.0 -41.4 4.2 22.6 37.1 502 240 B F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 6,-0.5 0.912 110.6 48.8 -63.4 -41.8 6.6 25.5 36.3 503 241 B R H X S+ 0 0 106 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.928 108.0 55.3 -63.3 -42.4 9.6 23.3 37.0 504 242 B L H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.3 42.1 -57.4 -38.5 8.1 20.7 34.7 505 243 B W H < S+ 0 0 0 -4,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.864 136.6 10.2 -78.0 -35.6 7.9 23.3 32.0 506 244 B T H < S- 0 0 3 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.640 91.2-115.4-120.7 -19.4 11.3 24.9 32.5 507 245 B G S < S+ 0 0 9 -4,-3.2 2,-0.4 -5,-0.5 -4,-0.2 0.419 83.3 111.2 93.6 -1.4 13.4 23.0 34.9 508 246 B L - 0 0 15 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.3 -0.917 58.9-147.7-111.2 132.6 13.3 25.9 37.3 509 247 B L - 0 0 51 -2,-0.4 -9,-0.1 -6,-0.1 2,-0.1 -0.865 13.9-147.2-100.7 112.9 11.3 25.7 40.6 510 248 B P - 0 0 0 0, 0.0 -225,-0.1 0, 0.0 -7,-0.1 -0.430 40.5 -81.3 -75.2 157.3 9.9 29.1 41.7 511 249 B D > - 0 0 93 1,-0.2 4,-2.0 -226,-0.1 5,-0.2 -0.405 37.3-155.6 -60.3 111.5 9.7 29.8 45.4 512 250 B P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 95.2 53.5 -58.0 -37.1 6.5 28.0 46.6 513 251 B S H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 108.8 49.9 -62.4 -44.4 6.2 30.4 49.6 514 252 B G H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.831 110.3 49.5 -63.1 -34.8 6.3 33.3 47.1 515 253 B M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 109.9 50.0 -72.5 -40.6 3.6 31.8 44.9 516 254 B E H X S+ 0 0 52 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 111.0 50.8 -62.2 -41.2 1.3 31.2 47.9 517 255 B E H X S+ 0 0 115 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 108.2 51.9 -62.3 -40.0 1.9 34.8 48.9 518 256 B A H X S+ 0 0 18 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.895 111.4 47.2 -62.9 -40.2 1.0 35.9 45.4 519 257 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.899 109.7 54.2 -65.6 -42.6 -2.2 33.9 45.6 520 258 B R H X>S+ 0 0 77 -4,-2.7 4,-1.3 1,-0.2 5,-1.2 0.932 109.3 46.9 -56.9 -50.2 -2.9 35.4 49.0 521 259 B R H <5S+ 0 0 195 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.906 108.9 54.4 -61.5 -41.3 -2.6 38.9 47.6 522 260 B A H <5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.8 50.1 -61.6 -31.8 -4.8 38.0 44.7 523 261 B L H <5S- 0 0 38 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.727 103.8-135.6 -76.9 -24.0 -7.4 36.8 47.2 524 262 B G T <5 0 0 67 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.1 0.622 360.0 360.0 77.6 12.9 -7.1 40.1 49.1 525 263 B V < 0 0 108 -5,-1.2 -4,-0.2 -53,-0.0 -5,-0.1 0.455 360.0 360.0-122.2 360.0 -7.1 38.1 52.4