==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 10-SEP-10 3OT1 . COMPND 2 MOLECULE: 4-METHYL-5(B-HYDROXYETHYL)-THIAZOLE MONOPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR E.NIEDZIALKOWSKA,Z.WAWRZAK,M.CHRUSZCZ,P.POREBSKI,T.SKARINA,X . 395 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.3 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 2 0 0 0 5 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 6 A S 0 0 96 0, 0.0 29,-0.2 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 23.8 19.2 41.4 22.9 2 7 A K + 0 0 106 1,-0.2 28,-2.9 27,-0.1 2,-0.5 0.891 360.0 155.9 57.4 49.5 18.8 44.6 21.0 3 8 A R E -a 30 0A 67 26,-0.2 62,-2.9 28,-0.1 63,-1.2 -0.912 21.2-170.1-112.4 126.1 20.6 46.8 23.6 4 9 A I E -ab 31 66A 0 26,-2.6 28,-2.9 -2,-0.5 2,-0.5 -0.961 12.7-150.6-122.4 134.5 22.2 50.1 22.6 5 10 A L E -ab 32 67A 0 61,-2.4 63,-2.7 -2,-0.4 28,-0.2 -0.897 12.8-174.7-101.9 124.8 24.6 52.3 24.6 6 11 A V E -a 33 0A 0 26,-3.2 28,-1.8 -2,-0.5 63,-0.2 -0.897 11.0-155.9-121.4 96.9 24.4 56.0 23.8 7 12 A P E -a 34 0A 0 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.458 11.5-169.0 -68.7 146.3 27.0 58.1 25.7 8 13 A V E +a 35 0A 0 26,-2.3 28,-2.8 -2,-0.1 2,-0.3 -0.975 6.6 178.1-134.5 150.6 26.2 61.8 26.2 9 14 A A > - 0 0 2 -2,-0.3 3,-2.6 26,-0.2 2,-0.2 -0.931 46.1 -71.6-141.7 164.6 28.4 64.7 27.4 10 15 A H T 3 S+ 0 0 137 -2,-0.3 68,-0.2 26,-0.3 34,-0.2 -0.451 125.4 24.5 -52.3 123.0 28.2 68.4 28.0 11 16 A G T 3 S+ 0 0 10 32,-2.8 64,-1.6 1,-0.3 63,-0.4 0.419 84.9 147.7 93.6 -2.5 28.2 69.8 24.5 12 17 A S < - 0 0 0 -3,-2.6 33,-2.6 31,-0.2 2,-0.7 -0.372 61.9-102.3 -61.1 146.1 26.7 66.7 22.8 13 18 A E > - 0 0 2 58,-2.1 4,-2.3 31,-0.2 58,-0.2 -0.624 35.8-158.8 -73.5 110.2 24.5 67.6 19.8 14 19 A E H > S+ 0 0 0 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.831 84.7 50.2 -70.6 -35.8 21.1 67.1 21.3 15 20 A X H > S+ 0 0 3 2,-0.2 4,-2.6 204,-0.2 5,-0.2 0.911 112.5 48.9 -70.6 -38.4 19.0 66.6 18.1 16 21 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.946 113.8 47.5 -58.3 -48.3 21.5 64.0 16.9 17 22 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 115.2 43.0 -56.6 -51.5 21.3 62.3 20.3 18 23 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.868 111.0 54.9 -72.6 -35.1 17.5 62.3 20.6 19 24 A I H X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.936 111.5 46.6 -58.4 -46.0 17.0 61.2 17.0 20 25 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.958 116.5 42.5 -60.5 -52.7 19.2 58.2 17.7 21 26 A V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.950 117.1 45.7 -61.9 -50.9 17.6 57.3 20.9 22 27 A D H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.942 113.4 49.1 -59.7 -50.0 14.0 57.8 19.7 23 28 A T H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.915 112.6 47.4 -60.6 -42.6 14.5 56.0 16.4 24 29 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.3 3,-0.5 0.891 109.9 52.8 -67.9 -36.0 16.1 53.0 18.1 25 30 A V H ><5S+ 0 0 46 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.887 104.5 56.7 -63.8 -37.5 13.3 52.9 20.7 26 31 A R H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 102.7 56.5 -59.8 -29.6 10.8 52.8 17.9 27 32 A A T 3<5S- 0 0 7 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.308 124.4-103.6 -86.1 6.7 12.5 49.7 16.6 28 33 A G T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.597 73.5 143.8 84.0 11.6 12.0 47.9 19.9 29 34 A F < - 0 0 6 -5,-2.1 2,-0.7 -26,-0.0 -1,-0.3 -0.492 53.7-124.2 -83.6 153.9 15.6 48.4 21.1 30 35 A Q E -a 3 0A 139 -28,-2.9 -26,-2.6 -29,-0.2 2,-0.5 -0.900 34.3-164.8 -95.8 113.9 16.5 49.0 24.8 31 36 A V E -a 4 0A 22 -2,-0.7 2,-0.5 -28,-0.2 -26,-0.2 -0.885 10.7-164.9-113.2 125.5 18.5 52.2 24.7 32 37 A T E -a 5 0A 19 -28,-2.9 -26,-3.2 -2,-0.5 2,-0.5 -0.942 6.4-156.7-109.8 122.4 20.7 53.4 27.6 33 38 A X E -a 6 0A 14 -2,-0.5 20,-2.4 -28,-0.2 21,-0.9 -0.827 17.6-171.9 -95.0 130.0 21.9 57.0 27.7 34 39 A A E -ac 7 54A 0 -28,-1.8 -26,-2.3 -2,-0.5 2,-0.4 -0.993 14.5-131.0-131.8 129.2 25.0 57.2 29.8 35 40 A A E -ac 8 55A 0 19,-2.4 21,-2.8 -2,-0.4 2,-0.3 -0.673 10.0-129.4 -88.7 134.4 26.7 60.4 30.9 36 41 A V S S+ 0 0 30 -28,-2.8 -26,-0.3 -2,-0.4 3,-0.3 -0.621 82.9 16.7 -70.2 129.3 30.3 61.3 30.7 37 42 A G S S- 0 0 37 -2,-0.3 20,-0.4 1,-0.1 19,-0.3 -0.656 107.7 -64.5 100.4-157.7 31.3 62.6 34.1 38 43 A D S S+ 0 0 137 -2,-0.2 2,-0.5 17,-0.1 -1,-0.1 0.310 105.2 84.1-118.6 2.7 29.7 62.2 37.4 39 44 A K - 0 0 157 -3,-0.3 15,-0.1 1,-0.1 13,-0.1 -0.934 65.6-150.0-103.4 134.7 26.4 64.2 36.8 40 45 A L S S+ 0 0 80 -2,-0.5 12,-2.9 11,-0.1 2,-0.4 0.764 82.8 64.2 -76.4 -22.5 23.6 62.2 35.1 41 46 A Q E -G 51 0B 84 10,-0.2 2,-0.3 -6,-0.1 10,-0.2 -0.852 66.2-179.7 -99.8 137.7 22.3 65.4 33.4 42 47 A V E -G 50 0B 11 8,-2.3 8,-3.2 -2,-0.4 2,-0.6 -0.975 28.2-117.8-132.5 148.6 24.4 67.1 30.8 43 48 A Q E -G 49 0B 69 -2,-0.3 -32,-2.8 6,-0.2 -31,-0.2 -0.750 30.1-133.5 -93.4 122.7 23.7 70.2 28.8 44 49 A G > - 0 0 5 4,-3.0 3,-2.0 -2,-0.6 -31,-0.2 -0.117 32.1 -92.4 -65.6 169.8 23.6 69.8 25.1 45 50 A S T 3 S+ 0 0 45 -33,-2.6 -32,-0.1 1,-0.3 -1,-0.1 0.729 126.7 40.2 -56.5 -30.9 25.3 72.0 22.6 46 51 A R T 3 S- 0 0 74 -34,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.013 127.7 -91.5-110.8 22.1 22.2 74.2 22.1 47 52 A G S < S+ 0 0 31 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.311 79.1 139.7 95.8 -8.0 21.2 74.2 25.8 48 53 A V - 0 0 9 -5,-0.1 -4,-3.0 171,-0.1 2,-0.3 -0.568 52.7-125.3 -76.5 127.1 18.9 71.2 25.8 49 54 A W E -G 43 0B 82 -2,-0.4 2,-0.5 203,-0.3 203,-0.4 -0.568 18.8-156.9 -74.8 128.6 19.3 69.1 29.0 50 55 A L E -G 42 0B 3 -8,-3.2 -8,-2.3 -2,-0.3 2,-0.8 -0.939 5.9-155.7-107.0 117.9 20.1 65.4 28.3 51 56 A T E -G 41 0B 37 -2,-0.5 199,-0.4 199,-0.4 -10,-0.2 -0.849 10.6-163.9-103.0 105.6 19.1 63.2 31.3 52 57 A A - 0 0 6 -12,-2.9 -18,-0.2 -2,-0.8 3,-0.1 -0.419 20.1-139.3 -83.8 163.0 21.1 60.0 31.3 53 58 A E S S+ 0 0 123 -20,-2.4 2,-0.3 1,-0.2 -19,-0.2 0.545 80.5 5.3-100.3 -9.8 20.1 56.9 33.4 54 59 A Q E S-c 34 0A 52 -21,-0.9 -19,-2.4 -14,-0.2 2,-0.2 -0.979 80.3 -90.9-162.7 170.3 23.6 56.0 34.5 55 60 A T E > -c 35 0A 35 -2,-0.3 3,-1.3 -21,-0.2 -19,-0.2 -0.561 32.2-121.1 -88.0 149.7 27.2 57.1 34.4 56 61 A L G > S+ 0 0 4 -21,-2.8 3,-1.7 -19,-0.3 -20,-0.1 0.856 111.7 62.8 -59.4 -33.4 29.6 56.1 31.6 57 62 A E G 3 S+ 0 0 159 -20,-0.4 -1,-0.3 -22,-0.3 -21,-0.1 0.723 97.6 58.2 -64.2 -23.3 31.9 54.5 34.3 58 63 A A G < S+ 0 0 67 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.365 88.9 101.5 -83.6 3.9 29.1 52.0 35.2 59 64 A C < - 0 0 10 -3,-1.7 2,-0.4 -4,-0.1 3,-0.0 -0.749 46.6-177.1 -97.9 137.2 28.9 50.7 31.6 60 65 A S > - 0 0 62 -2,-0.4 3,-1.8 1,-0.1 4,-0.1 -0.996 29.9-129.7-132.3 140.5 30.4 47.5 30.3 61 66 A A G > S+ 0 0 4 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.754 99.8 69.1 -60.0 -30.2 30.3 46.4 26.8 62 67 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.719 93.0 61.8 -65.1 -18.0 28.9 42.8 27.4 63 68 A A G < S+ 0 0 43 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.413 105.3 55.6 -83.0 0.5 25.6 44.4 28.5 64 69 A F < - 0 0 11 -3,-2.0 -60,-0.2 -4,-0.1 3,-0.1 -0.937 59.0-153.5-135.6 157.9 25.1 45.9 25.0 65 70 A D S S+ 0 0 41 -62,-2.9 33,-0.6 -2,-0.3 2,-0.3 0.620 83.4 10.7 -98.5 -21.0 24.9 44.9 21.3 66 71 A A E -bd 4 98A 0 -63,-1.2 -61,-2.4 31,-0.2 2,-0.4 -0.990 59.2-136.8-160.0 156.9 26.1 48.3 19.9 67 72 A L E -bd 5 99A 0 31,-2.1 33,-2.7 -2,-0.3 2,-0.5 -0.976 17.0-168.5-118.9 127.9 27.6 51.6 20.8 68 73 A A E - d 0 100A 0 -63,-2.7 33,-0.2 -2,-0.4 -2,-0.0 -0.981 4.7-162.3-124.6 120.0 26.2 54.8 19.2 69 74 A L E - d 0 101A 0 31,-3.0 33,-1.8 -2,-0.5 36,-0.1 -0.889 7.5-148.0-108.7 112.9 28.1 58.1 19.6 70 75 A P - 0 0 0 0, 0.0 -56,-0.1 0, 0.0 33,-0.0 -0.264 15.7-135.4 -64.3 165.4 26.5 61.4 19.0 71 76 A G + 0 0 0 -58,-0.2 -58,-2.1 33,-0.1 32,-0.1 0.182 41.8 134.2 -99.8-140.4 28.4 64.4 17.6 72 77 A G > - 0 0 3 -60,-0.3 4,-2.6 3,-0.1 5,-0.2 0.192 61.5-108.0 88.9 139.9 28.6 68.1 18.5 73 78 A V H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 116.9 40.9 -69.7 -51.5 32.0 69.7 18.8 74 79 A G H > S+ 0 0 42 -63,-0.4 4,-2.2 1,-0.2 -62,-0.2 0.890 117.3 49.9 -61.8 -40.0 32.1 70.1 22.6 75 80 A G H > S+ 0 0 0 -64,-1.6 4,-2.3 2,-0.2 -63,-0.2 0.925 109.6 49.8 -65.0 -45.5 30.6 66.6 23.1 76 81 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -65,-0.3 -2,-0.2 0.897 111.1 50.3 -60.8 -39.5 33.0 64.9 20.7 77 82 A Q H X S+ 0 0 87 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.911 108.8 51.9 -65.3 -40.8 35.9 66.7 22.6 78 83 A A H < S+ 0 0 27 -4,-2.2 4,-0.3 -68,-0.2 -2,-0.2 0.907 109.8 49.7 -61.1 -40.0 34.5 65.4 25.9 79 84 A F H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 7,-0.3 0.919 109.3 51.2 -61.5 -45.3 34.4 61.9 24.5 80 85 A A H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 111.2 49.0 -62.7 -29.6 38.0 62.2 23.3 81 86 A D T 3< S+ 0 0 127 -4,-1.7 2,-0.7 -5,-0.1 -1,-0.3 0.363 91.5 97.5 -90.4 1.3 39.1 63.4 26.8 82 87 A S <> - 0 0 18 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 -0.840 55.1-163.8-102.7 112.0 37.3 60.5 28.5 83 88 A T H > S+ 0 0 125 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.908 94.6 49.7 -51.3 -47.8 39.3 57.5 29.5 84 89 A A H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 109.3 50.4 -65.5 -39.9 36.2 55.4 29.9 85 90 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 111.3 47.7 -64.4 -48.3 34.7 56.4 26.6 86 91 A L H X S+ 0 0 24 -4,-2.4 4,-1.8 -7,-0.3 -2,-0.2 0.908 111.3 51.6 -60.4 -39.9 37.9 55.5 24.7 87 92 A A H X S+ 0 0 51 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.852 106.5 54.2 -62.8 -38.0 38.1 52.2 26.5 88 93 A L H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.870 104.2 54.7 -65.7 -38.0 34.4 51.4 25.6 89 94 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.953 111.6 45.1 -57.5 -46.7 35.3 52.0 21.9 90 95 A D H X S+ 0 0 58 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 113.8 49.8 -59.8 -45.2 38.0 49.4 22.3 91 96 A A H X S+ 0 0 32 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.927 113.3 43.9 -64.9 -47.4 35.8 47.0 24.2 92 97 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-1.0 0.935 115.7 47.7 -62.6 -47.4 32.9 47.1 21.7 93 98 A S H ><5S+ 0 0 38 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.892 109.7 52.4 -64.9 -35.7 35.1 46.8 18.7 94 99 A Q H 3<5S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.522 106.4 55.2 -81.5 -3.6 37.1 43.9 20.2 95 100 A Q T <<5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.299 118.6-113.0-100.8 5.3 33.8 42.1 20.9 96 101 A G T < 5 + 0 0 38 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.645 67.8 146.8 74.9 17.9 32.9 42.4 17.2 97 102 A K < - 0 0 35 -5,-2.2 -1,-0.2 -6,-0.2 -31,-0.2 -0.600 55.5 -94.7 -92.9 148.2 30.0 44.8 17.9 98 103 A L E -d 66 0A 14 -33,-0.6 -31,-2.1 -2,-0.2 2,-0.4 -0.342 34.2-166.6 -56.5 128.6 28.7 47.7 15.8 99 104 A V E -de 67 149A 0 49,-2.2 51,-2.5 -33,-0.2 2,-0.4 -0.985 9.1-173.0-115.0 130.1 30.2 51.0 16.7 100 105 A A E +de 68 150A 0 -33,-2.7 -31,-3.0 -2,-0.4 2,-0.3 -0.974 6.7 172.1-126.7 137.0 28.3 53.9 15.1 101 106 A A E -de 69 151A 0 49,-2.4 51,-1.4 -2,-0.4 2,-0.3 -0.999 8.9-163.3-149.1 149.9 29.3 57.6 15.2 102 107 A I E > - e 0 152A 0 -33,-1.8 3,-1.5 -2,-0.3 51,-0.2 -0.898 47.8 -11.1-132.2 158.3 28.1 60.8 13.7 103 108 A C T 3 S- 0 0 9 49,-1.4 21,-1.9 -2,-0.3 4,-0.4 -0.349 123.9 -0.4 64.8-125.8 29.2 64.4 13.0 104 109 A A T 3> S+ 0 0 0 19,-0.2 4,-3.1 1,-0.2 3,-0.5 0.705 115.6 81.6 -69.9 -22.5 32.3 65.6 14.8 105 110 A T H <>>S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-1.4 0.882 85.2 51.4 -62.2 -43.8 32.9 62.4 16.6 106 111 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 -1,-0.2 0.871 120.5 38.7 -60.9 -33.1 34.7 60.3 13.9 107 112 A A H 4>S+ 0 0 0 -3,-0.5 5,-1.0 -4,-0.4 -2,-0.2 0.948 124.0 35.1 -75.9 -56.0 37.1 63.3 13.4 108 113 A L H <5S+ 0 0 10 -4,-3.1 -3,-0.2 3,-0.2 -1,-0.1 0.687 133.4 25.0 -81.4 -17.7 37.7 64.5 16.9 109 114 A V T X5S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.4 6,-0.2 0.796 128.1 32.7-106.4 -63.4 37.5 61.0 18.6 110 115 A F T 4XS+ 0 0 0 -5,-1.4 5,-2.4 2,-0.2 4,-0.5 0.957 124.2 40.5 -67.0 -51.9 38.5 58.3 16.1 111 116 A A T >4 S- 0 0 14 -2,-0.4 3,-2.3 1,-0.2 -1,-0.2 0.847 82.8-169.9 55.6 40.4 39.3 52.5 13.7 117 122 A V T 3 S+ 0 0 107 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.355 71.8 19.7 -58.0 131.6 42.7 53.0 12.1 118 123 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.307 96.6 128.7 87.0 -7.2 42.4 51.9 8.4 119 124 A A < - 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0 0 10 -13,-1.3 -12,-0.1 -2,-0.3 -171,-0.1 0.806 60.6 -40.3 -98.5 -37.0 3.9 66.3 9.1 355 159 B G S >> S- 0 0 0 -14,-0.2 3,-2.0 -172,-0.1 4,-0.6 -0.975 71.2 -56.1-175.6-177.8 6.4 64.3 11.1 356 160 B P G >4 S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.876 125.9 54.9 -50.4 -40.9 9.8 63.7 12.5 357 161 B G G 34 S+ 0 0 7 -175,-3.3 -172,-0.2 1,-0.3 4,-0.2 0.495 112.1 43.1 -75.4 -7.1 11.3 63.6 9.0 358 162 B T G <> S+ 0 0 0 -3,-2.0 4,-2.5 -176,-0.2 -1,-0.3 0.337 86.4 96.2-110.7 2.8 9.8 67.0 8.2 359 163 B A H S+ 0 0 13 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.946 112.9 48.5 -64.6 -45.7 14.0 70.2 10.3 361 165 B E H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 112.7 50.2 -56.2 -42.7 12.2 71.6 7.2 362 166 B F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.920 110.9 46.4 -62.9 -48.8 9.5 73.0 9.5 363 167 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.897 111.8 51.7 -65.9 -39.8 11.9 74.7 12.0 364 168 B L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 107.9 52.6 -63.3 -38.6 13.8 76.2 9.0 365 169 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.897 106.5 53.5 -61.9 -40.3 10.5 77.6 7.6 366 170 B X H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.927 109.0 49.1 -58.4 -46.0 9.8 79.2 11.0 367 171 B I H X>S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.5 0.938 110.9 50.1 -59.7 -46.5 13.2 80.9 10.9 368 172 B A H X5S+ 0 0 6 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.914 113.2 45.7 -57.8 -44.9 12.5 82.1 7.4 369 173 B L H <5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 121.0 37.3 -66.3 -39.7 9.1 83.5 8.4 370 174 B L H <5S+ 0 0 35 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.828 136.9 10.1 -83.4 -34.2 10.3 85.2 11.6 371 175 B A H <5S- 0 0 44 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.329 111.8 -84.0-138.8 4.9 13.7 86.5 10.6 372 176 B G X< - 0 0 30 -4,-1.7 4,-1.8 -5,-0.5 3,-0.2 0.078 35.5 -90.7 104.7 150.7 14.2 86.1 6.8 373 177 B V H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.834 118.4 64.5 -67.0 -29.1 15.3 83.5 4.3 374 178 B E H > S+ 0 0 171 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 105.4 43.7 -59.4 -48.5 18.9 84.6 4.6 375 179 B L H > S+ 0 0 50 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.921 112.8 52.8 -62.0 -43.2 19.1 83.6 8.2 376 180 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 47.4 -60.0 -42.8 17.3 80.3 7.5 377 181 B Q H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.887 110.9 51.6 -66.2 -37.2 19.7 79.5 4.7 378 182 B H H < S+ 0 0 135 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 111.7 46.8 -64.5 -43.8 22.7 80.3 7.0 379 183 B V H < S+ 0 0 6 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.902 115.5 46.0 -64.0 -40.8 21.3 78.0 9.7 380 184 B A H >< S+ 0 0 2 -4,-2.4 3,-1.7 -5,-0.2 5,-0.5 0.834 92.8 83.8 -69.5 -32.8 20.6 75.2 7.2 381 185 B A G >< S+ 0 0 79 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.793 98.0 31.7 -47.8 -50.7 24.0 75.4 5.5 382 186 B P G 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -256,-0.2 0.544 98.6 86.1 -86.5 -4.8 26.2 73.3 7.8 383 187 B X G < S- 0 0 0 -3,-1.7 -227,-3.2 -4,-0.3 -226,-0.2 0.518 91.8-124.8 -81.5 -4.5 23.4 70.9 8.9 384 188 B V < + 0 0 22 -3,-0.5 -230,-0.2 -4,-0.4 -231,-0.1 0.877 40.8 177.3 60.8 42.1 23.7 68.4 6.0 385 189 B L - 0 0 9 -5,-0.5 -1,-0.1 1,-0.1 -228,-0.1 -0.318 45.3 -92.7 -52.1 153.6 20.1 68.5 4.9 386 190 B H >> - 0 0 19 -230,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.579 39.3-119.1 -66.2 137.4 19.4 66.4 1.9 387 191 B P G >4 S+ 0 0 79 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.870 114.5 55.3 -49.4 -35.2 19.8 68.9 -1.1 388 192 B Q G >4 S+ 0 0 106 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.720 97.0 63.5 -76.5 -15.6 16.1 68.3 -2.0 389 193 B Q G <4 S+ 0 0 20 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.604 103.1 50.9 -75.8 -13.5 15.0 69.3 1.5 390 194 B L G << S+ 0 0 48 -3,-1.2 4,-0.4 -4,-0.5 -1,-0.2 0.264 83.4 89.8-103.4 -7.6 16.4 72.8 0.9 391 195 B T S < S+ 0 0 91 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.786 96.5 32.5 -64.4 -31.3 14.7 73.5 -2.5 392 196 B E S S+ 0 0 70 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.563 89.7 89.7-103.1 -6.3 11.5 75.2 -1.2 393 197 B L S > S+ 0 0 11 1,-0.2 2,-1.5 -4,-0.1 3,-0.9 0.866 77.2 84.3 -54.6 -28.6 12.9 76.8 2.0 394 198 B S T 3 S+ 0 0 65 -4,-0.4 -1,-0.2 1,-0.2 -29,-0.0 -0.608 86.9 39.8 -77.6 92.3 13.3 79.3 -0.7 395 199 B G T 3 0 0 72 -2,-1.5 -1,-0.2 1,-0.1 -2,-0.1 0.465 360.0 360.0 133.9 32.8 9.8 80.9 -0.6 396 200 B F < 0 0 65 -3,-0.9 -24,-0.1 -28,-0.0 -1,-0.1 -0.867 360.0 360.0-111.1 360.0 8.7 81.3 3.0