==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (ALDEHYDE) 14-FEB-96 3FUA . COMPND 2 MOLECULE: L-FUCULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.DREYER,G.E.SCHULZ . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.5 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 1 1 2 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 189 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 99.9 82.8 28.2 59.8 2 2 A E >> - 0 0 93 1,-0.1 4,-2.1 0, 0.0 3,-1.2 -0.946 360.0-134.3-113.3 122.6 80.8 25.9 62.0 3 3 A R H 3> S+ 0 0 64 -2,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.777 104.0 45.9 -39.2 -42.7 77.9 27.3 64.0 4 4 A N H 3> S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.796 107.8 52.9 -79.1 -31.7 78.8 25.5 67.2 5 5 A K H <> S+ 0 0 98 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.897 113.3 47.6 -68.3 -39.2 82.6 26.2 67.2 6 6 A L H X S+ 0 0 13 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 109.5 52.6 -65.8 -42.2 81.7 29.9 66.8 7 7 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.891 108.9 49.9 -60.9 -41.2 79.1 29.6 69.6 8 8 A R H X S+ 0 0 118 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.903 109.6 51.3 -64.8 -41.8 81.7 28.1 72.0 9 9 A Q H X S+ 0 0 97 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.887 106.8 54.1 -63.6 -38.7 84.2 30.9 71.2 10 10 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.937 109.4 46.7 -62.2 -46.1 81.5 33.5 72.0 11 11 A I H X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.914 112.0 51.9 -63.7 -37.6 80.8 32.0 75.4 12 12 A D H X S+ 0 0 83 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.851 109.0 49.9 -65.2 -35.4 84.6 31.9 76.0 13 13 A T H X S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.935 110.1 50.3 -68.5 -43.9 84.9 35.5 75.0 14 14 A C H X S+ 0 0 7 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.908 113.7 45.9 -61.4 -38.5 82.1 36.4 77.5 15 15 A L H >X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 3,-0.7 0.940 114.2 46.6 -68.8 -47.2 83.8 34.5 80.2 16 16 A E H 3X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.845 107.6 58.2 -63.9 -33.8 87.2 36.0 79.5 17 17 A M H 3<>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 6,-2.1 0.779 107.2 47.1 -67.9 -27.7 85.6 39.4 79.3 18 18 A T H X<5S+ 0 0 18 -4,-1.0 3,-0.6 -3,-0.7 -1,-0.2 0.853 108.4 57.5 -78.3 -35.4 84.4 38.9 82.9 19 19 A R H 3<5S+ 0 0 160 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.784 106.6 46.3 -64.0 -35.4 87.9 37.7 83.8 20 20 A L T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.583 119.2-114.8 -82.0 -12.8 89.6 40.9 82.6 21 21 A G T < 5S+ 0 0 41 -3,-0.6 75,-0.4 -4,-0.2 -3,-0.2 0.653 86.6 114.9 88.2 18.7 86.8 42.7 84.5 22 22 A L < + 0 0 7 -5,-2.1 72,-0.6 -6,-0.2 -4,-0.2 0.826 69.5 58.5 -84.5 -38.7 85.2 44.3 81.5 23 23 A N S S+ 0 0 12 -6,-2.1 3,-0.1 -9,-0.1 70,-0.1 -0.395 71.0 78.4 -85.2 174.1 82.0 42.4 82.0 24 24 A Q S S+ 0 0 119 -2,-0.1 70,-0.1 1,-0.1 0, 0.0 0.337 73.3 56.3 92.1 132.3 79.7 42.4 85.1 25 25 A G S S- 0 0 56 1,-0.1 2,-1.8 70,-0.0 69,-0.2 0.758 129.4 -3.8 80.3 108.9 77.3 45.3 85.8 26 26 A T S S- 0 0 106 -3,-0.1 -1,-0.1 67,-0.1 -3,-0.1 -0.073 107.9-137.3 69.7 -37.7 74.8 45.9 82.9 27 27 A A - 0 0 43 -2,-1.8 -4,-0.1 -5,-0.1 66,-0.0 0.546 11.0-113.0 62.8 146.4 76.8 43.2 81.2 28 28 A G - 0 0 15 -14,-0.1 2,-0.3 65,-0.1 65,-0.2 -0.005 17.7-131.9 -92.1-159.1 78.0 43.2 77.5 29 29 A N E -A 92 0A 7 63,-2.0 63,-2.3 44,-0.1 2,-0.3 -0.963 12.1-158.5-158.2 145.0 77.2 41.2 74.4 30 30 A V E +A 91 0A 0 -2,-0.3 11,-2.1 61,-0.2 2,-0.3 -0.904 11.7 175.1-127.5 155.9 79.3 39.5 71.8 31 31 A S E -AB 90 40A 0 59,-1.6 59,-1.7 -2,-0.3 2,-0.4 -0.978 17.4-149.6-156.4 159.8 78.6 38.4 68.3 32 32 A V E -AB 89 39A 6 7,-2.0 7,-2.6 -2,-0.3 57,-0.2 -0.971 33.8-106.9-132.9 144.0 80.4 37.0 65.2 33 33 A R E - B 0 38A 73 55,-2.0 2,-0.3 -2,-0.4 5,-0.3 -0.494 46.9-179.5 -66.2 142.8 79.4 37.6 61.6 34 34 A Y E > - B 0 37A 27 3,-1.7 3,-1.9 24,-0.1 24,-0.1 -0.901 44.6 -50.3-156.3 127.1 77.8 34.4 60.3 35 35 A Q T 3 S- 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 24,-0.0 -0.253 120.8 -24.3 48.3-121.9 76.3 33.4 56.9 36 36 A D T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 2,-0.1 23,-0.0 0.604 141.6 21.1 -92.8 -13.2 74.0 36.2 56.0 37 37 A G E < S-B 34 0A 9 -3,-1.9 -3,-1.7 22,-0.1 2,-0.3 0.210 89.3 -96.2-118.7-119.1 73.4 37.4 59.6 38 38 A M E -BC 33 58A 0 20,-1.9 20,-2.0 -5,-0.3 2,-0.5 -0.971 16.0-119.0-165.7 161.0 75.3 37.0 62.8 39 39 A L E +BC 32 57A 0 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.3 -0.962 41.9 177.0-108.9 123.6 75.5 34.8 65.9 40 40 A I E -BC 31 56A 0 16,-2.7 16,-2.0 -2,-0.5 -9,-0.2 -0.935 34.6 -98.5-131.6 153.5 74.9 36.9 69.1 41 41 A T - 0 0 8 -11,-2.1 30,-1.4 -2,-0.3 2,-0.1 -0.319 47.0-112.3 -66.0 147.2 74.6 36.4 72.8 42 42 A P B -H 70 0B 14 0, 0.0 3,-0.5 0, 0.0 2,-0.3 -0.462 30.1-101.2 -80.1 158.2 71.0 36.2 74.1 43 43 A T S S+ 0 0 65 26,-1.7 26,-0.2 27,-0.3 28,-0.1 -0.572 95.6 11.2 -80.7 138.8 69.4 38.7 76.3 44 44 A G S S+ 0 0 73 -2,-0.3 -1,-0.2 1,-0.1 25,-0.0 0.903 86.8 114.0 65.4 51.1 69.1 37.9 80.0 45 45 A I - 0 0 57 -3,-0.5 -1,-0.1 9,-0.0 2,-0.1 -0.920 62.3-128.4-148.7 113.1 71.3 34.8 80.6 46 46 A P >> - 0 0 56 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.455 29.7-108.7 -65.0 140.2 74.4 35.2 82.8 47 47 A Y T 34 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.2 -32,-0.1 0.757 117.1 64.8 -39.0 -32.0 77.5 33.8 81.2 48 48 A E T 34 S+ 0 0 123 1,-0.2 -1,-0.3 -33,-0.0 -33,-0.0 0.882 104.4 41.5 -63.1 -42.6 77.4 31.0 83.7 49 49 A K T <4 S+ 0 0 138 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.633 93.1 119.4 -80.2 -15.5 74.1 29.5 82.4 50 50 A L < + 0 0 23 -4,-1.1 2,-0.3 -3,-0.3 -9,-0.0 -0.091 34.1 166.5 -53.4 149.6 75.2 30.0 78.8 51 51 A T >> - 0 0 49 1,-0.0 3,-3.1 -44,-0.0 4,-0.8 -0.966 53.9 -92.0-157.6 160.8 75.6 27.1 76.3 52 52 A E T 34 S+ 0 0 68 1,-0.3 3,-0.5 -2,-0.3 -2,-0.0 0.771 122.6 61.5 -48.5 -30.1 76.0 26.7 72.6 53 53 A S T 34 S+ 0 0 80 1,-0.2 -1,-0.3 -46,-0.0 -3,-0.0 0.514 95.9 58.1 -76.9 -10.6 72.2 26.4 72.4 54 54 A H T <4 S+ 0 0 60 -3,-3.1 2,-0.3 2,-0.1 -1,-0.2 0.691 77.9 105.1 -92.2 -20.6 71.5 29.9 73.8 55 55 A I < - 0 0 1 -4,-0.8 2,-0.3 -3,-0.5 -14,-0.2 -0.451 65.1-145.8 -65.8 123.9 73.5 31.6 71.0 56 56 A V E -C 40 0A 0 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.4 -0.650 5.5-143.0 -95.6 145.8 71.0 33.2 68.7 57 57 A F E -C 39 0A 29 -2,-0.3 8,-1.7 -18,-0.2 2,-0.4 -0.918 12.7-172.5-109.5 130.1 71.1 33.7 64.9 58 58 A I E -CD 38 64A 0 -20,-2.0 -20,-1.9 -2,-0.4 6,-0.3 -0.986 16.9-146.9-117.6 131.0 69.7 36.9 63.3 59 59 A D > - 0 0 30 4,-2.6 3,-1.7 -2,-0.4 -22,-0.1 -0.186 39.0 -76.1 -85.3-166.2 69.6 36.8 59.5 60 60 A G T 3 S+ 0 0 34 1,-0.3 -23,-0.1 2,-0.1 -1,-0.0 0.704 128.8 52.8 -65.6 -24.3 70.1 39.7 57.1 61 61 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.307 121.1-102.3 -94.4 8.2 66.6 41.1 57.7 62 62 A G S < S+ 0 0 16 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.590 75.0 146.2 83.8 8.6 67.0 41.2 61.4 63 63 A K - 0 0 126 3,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.693 32.5-157.9 -84.8 126.2 64.9 38.0 61.9 64 64 A H B -D 58 0A 75 -2,-0.5 -6,-0.2 -6,-0.3 3,-0.1 -0.731 29.4 -89.5-102.7 152.2 66.0 35.8 64.7 65 65 A E > - 0 0 53 -8,-1.7 3,-1.3 -2,-0.3 -1,-0.1 -0.256 56.6 -89.8 -57.6 144.5 65.3 32.1 65.1 66 66 A E T 3 S+ 0 0 195 1,-0.2 -1,-0.1 -3,-0.0 3,-0.1 -0.212 106.0 20.4 -61.6 142.9 62.0 31.2 66.9 67 67 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.441 104.6 93.8 82.2 0.5 62.0 30.8 70.6 68 68 A K < - 0 0 50 -3,-1.3 -1,-0.2 -11,-0.1 -4,-0.1 -0.992 59.5-152.5-129.2 134.1 65.2 32.7 71.2 69 69 A L - 0 0 116 -2,-0.4 -26,-1.7 -26,-0.2 3,-0.1 -0.911 17.5-143.6-106.1 117.8 65.6 36.3 72.0 70 70 A P B -H 42 0B 11 0, 0.0 -27,-0.3 0, 0.0 -29,-0.1 -0.093 44.6 -59.7 -71.3 176.1 68.8 38.0 70.9 71 71 A S > - 0 0 5 -30,-1.4 3,-1.8 -29,-0.2 4,-0.2 -0.245 44.7-126.1 -52.5 141.7 70.7 40.6 72.9 72 72 A S T 3 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.667 113.0 53.5 -66.3 -13.7 68.5 43.7 73.5 73 73 A E T > S+ 0 0 12 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.032 71.8 116.9-109.1 27.3 71.5 45.6 71.9 74 74 A W T X> + 0 0 39 -3,-1.8 3,-1.4 1,-0.2 4,-1.4 0.811 57.7 74.7 -67.3 -29.9 71.7 43.5 68.8 75 75 A R H 3> S+ 0 0 85 -3,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.851 94.9 48.3 -55.1 -38.9 70.8 46.4 66.4 76 76 A F H <> S+ 0 0 3 -3,-0.6 4,-1.1 2,-0.2 -1,-0.3 0.577 100.9 63.4 -82.3 -3.4 74.2 48.1 66.7 77 77 A H H <> S+ 0 0 0 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.905 105.0 48.5 -80.7 -39.6 76.2 44.9 66.1 78 78 A M H X S+ 0 0 35 -4,-1.4 4,-2.9 1,-0.3 5,-0.3 0.933 108.8 52.2 -64.4 -39.2 74.6 44.9 62.7 79 79 A A H X S+ 0 0 6 -4,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.851 108.6 53.5 -61.7 -32.6 75.6 48.5 62.3 80 80 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.979 111.5 43.1 -65.7 -50.9 79.1 47.4 63.2 81 81 A Y H < S+ 0 0 9 -4,-2.6 -2,-0.2 1,-0.2 6,-0.2 0.859 115.3 48.4 -63.3 -39.6 79.2 44.7 60.5 82 82 A Q H < S+ 0 0 143 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.849 115.8 44.9 -69.6 -34.0 77.6 46.9 57.9 83 83 A S H < S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.854 121.9 35.2 -78.4 -39.4 80.0 49.8 58.7 84 84 A R >< - 0 0 32 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.3 -0.846 64.7-178.8-120.8 92.5 83.2 47.7 58.8 85 85 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.548 84.6 60.5 -65.8 -9.1 82.9 44.9 56.2 86 86 A D T 3 S+ 0 0 67 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.541 84.7 96.2 -94.2 -13.2 86.3 43.7 57.4 87 87 A A < + 0 0 0 -3,-2.0 75,-0.3 -6,-0.2 3,-0.1 -0.670 39.8 170.5 -82.9 132.5 85.0 43.1 61.0 88 88 A N + 0 0 69 73,-2.1 -55,-2.0 -2,-0.4 2,-0.3 0.331 67.5 42.5-118.4 2.3 83.9 39.6 61.8 89 89 A A E -AE 32 161A 0 72,-1.3 72,-1.6 -57,-0.2 2,-0.4 -0.965 59.8-166.0-153.6 131.5 83.5 40.0 65.6 90 90 A V E -AE 31 160A 0 -59,-1.7 -59,-1.6 -2,-0.3 2,-0.5 -0.980 3.5-169.7-123.0 128.3 81.9 42.7 67.7 91 91 A V E -AE 30 159A 0 68,-2.6 68,-2.5 -2,-0.4 2,-0.4 -0.978 7.7-177.3-117.7 124.7 82.4 43.0 71.5 92 92 A H E +AE 29 158A 0 -63,-2.3 -63,-2.0 -2,-0.5 2,-0.3 -0.993 12.4 150.2-124.9 134.6 80.3 45.5 73.4 93 93 A N E - E 0 157A 1 64,-2.1 64,-2.3 -2,-0.4 -70,-0.1 -0.848 48.7-124.9-147.4-178.4 80.5 46.2 77.2 94 94 A H + 0 0 41 -72,-0.6 -67,-0.1 -2,-0.3 62,-0.1 -0.331 43.2 177.3-125.9 43.9 80.0 48.9 79.8 95 95 A A > - 0 0 2 1,-0.1 4,-2.4 62,-0.1 5,-0.2 -0.197 36.1-115.9 -50.5 142.5 83.5 48.7 81.2 96 96 A V H > S+ 0 0 101 -75,-0.4 4,-2.2 1,-0.2 5,-0.2 0.890 105.9 39.2 -51.6 -59.3 84.1 51.2 84.0 97 97 A H H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.841 116.3 50.1 -67.4 -32.9 86.8 53.5 82.6 98 98 A C H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.960 112.6 48.2 -66.2 -51.0 85.5 53.6 79.0 99 99 A T H X S+ 0 0 26 -4,-2.4 4,-0.8 1,-0.2 55,-0.3 0.871 108.6 54.1 -57.6 -40.4 82.0 54.5 80.3 100 100 A A H >X S+ 0 0 32 -4,-2.2 4,-1.2 -5,-0.2 3,-0.9 0.936 108.3 48.5 -63.2 -43.8 83.4 57.2 82.6 101 101 A V H ><>S+ 0 0 0 -4,-1.8 5,-1.3 1,-0.3 3,-0.5 0.905 110.0 52.3 -63.4 -36.8 85.2 58.9 79.7 102 102 A S H 3<5S+ 0 0 0 -4,-2.1 52,-1.1 1,-0.3 -1,-0.3 0.622 100.9 61.8 -72.7 -16.7 82.0 58.7 77.6 103 103 A I H <<5S+ 0 0 90 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.815 105.4 46.2 -75.1 -32.2 80.2 60.4 80.5 104 104 A L T <<5S- 0 0 89 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.530 111.6-131.7 -81.4 -6.2 82.5 63.3 80.0 105 105 A N T 5 + 0 0 77 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.932 57.4 140.9 51.9 51.2 81.7 62.9 76.3 106 106 A R < - 0 0 82 -5,-1.3 -1,-0.2 18,-0.1 2,-0.2 -0.922 52.1-127.9-121.8 149.2 85.3 63.1 75.3 107 107 A S - 0 0 65 -2,-0.3 18,-0.1 18,-0.1 43,-0.0 -0.539 33.0-114.2 -84.2 160.0 87.4 61.3 72.7 108 108 A I E -I 123 0C 0 15,-2.3 15,-1.6 -2,-0.2 2,-0.1 -0.876 36.9-149.3 -97.9 118.5 90.5 59.7 74.0 109 109 A P E -I 122 0C 40 0, 0.0 2,-2.9 0, 0.0 3,-0.3 -0.319 37.2 -71.1 -81.6 175.6 93.5 61.4 72.4 110 110 A A S S+ 0 0 5 11,-0.6 84,-3.1 84,-0.2 3,-0.1 -0.303 73.9 140.2 -63.6 64.1 97.0 60.1 71.5 111 111 A I S S+ 0 0 34 -2,-2.9 2,-0.3 82,-0.2 -1,-0.2 0.667 73.1 22.6 -82.6 -18.6 98.2 59.8 75.1 112 112 A H S > S- 0 0 69 -3,-0.3 3,-1.8 82,-0.1 -1,-0.2 -0.988 82.0-118.1-146.7 145.2 100.0 56.4 74.3 113 113 A Y G > S+ 0 0 116 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 0.668 104.3 73.2 -59.5 -20.8 101.2 55.0 71.1 114 114 A M G > S+ 0 0 40 1,-0.3 3,-2.8 2,-0.2 -1,-0.3 0.641 71.3 86.0 -71.0 -13.7 98.9 51.9 71.2 115 115 A I G X >S+ 0 0 1 -3,-1.8 3,-1.4 1,-0.3 5,-0.8 0.713 74.3 74.2 -58.6 -17.7 95.9 54.1 70.4 116 116 A A G X 5S+ 0 0 3 -3,-1.4 3,-1.9 1,-0.3 -1,-0.3 0.702 76.5 79.1 -67.5 -18.3 97.0 53.4 66.8 117 117 A A G < 5S+ 0 0 13 -3,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.812 86.6 56.2 -60.2 -30.2 95.6 50.0 67.4 118 118 A A G < 5S- 0 0 2 -3,-1.4 30,-2.5 2,-0.2 31,-0.4 0.413 129.3 -95.8 -82.2 0.4 92.0 51.4 66.8 119 119 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.492 90.7 19.1 102.7 5.0 93.2 52.6 63.4 120 120 A G S - 0 0 76 -2,-0.3 3,-1.3 1,-0.1 6,-0.4 -0.250 60.0 -98.6 -53.9 141.5 68.3 55.3 73.7 131 131 A F T 3 S+ 0 0 116 1,-0.2 3,-0.1 5,-0.1 -1,-0.1 -0.259 108.0 20.5 -61.6 150.9 69.9 51.7 73.6 132 132 A G T 3 S+ 0 0 26 1,-0.2 -1,-0.2 -59,-0.1 2,-0.2 0.613 98.4 130.5 65.2 11.6 68.5 49.3 71.1 133 133 A T <> - 0 0 49 -3,-1.3 4,-0.9 1,-0.1 -1,-0.2 -0.594 66.5-127.7 -93.9 155.1 67.2 52.3 69.1 134 134 A R H > S+ 0 0 173 -2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.870 107.8 58.7 -73.3 -34.7 67.8 52.8 65.4 135 135 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 101.3 56.1 -62.0 -33.5 69.3 56.3 65.9 136 136 A L H > S+ 0 0 4 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.873 101.3 59.8 -63.7 -36.2 72.0 54.9 68.2 137 137 A S H X S+ 0 0 16 -4,-0.9 4,-2.7 -3,-0.3 -1,-0.2 0.887 105.0 47.1 -60.1 -40.1 72.8 52.6 65.3 138 138 A E H X S+ 0 0 119 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.902 108.4 54.8 -68.7 -43.5 73.6 55.5 63.0 139 139 A H H X S+ 0 0 40 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.955 115.2 39.2 -54.9 -47.2 75.7 57.2 65.6 140 140 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 112.3 54.7 -72.2 -41.2 77.9 54.1 66.0 141 141 A A H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.5 48.5 -57.8 -40.8 78.0 53.3 62.3 142 142 A L H >< S+ 0 0 109 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.909 111.0 49.6 -66.1 -39.2 79.3 56.8 61.7 143 143 A A H >< S+ 0 0 15 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.877 109.5 50.8 -69.1 -36.1 81.9 56.5 64.4 144 144 A L T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.341 81.2 97.1 -83.8 6.7 83.2 53.1 63.2 145 145 A K T < S+ 0 0 125 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.943 107.7 8.4 -59.2 -44.5 83.6 54.4 59.6 146 146 A N S < S+ 0 0 98 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.2 0.199 125.5 62.5-122.0 7.3 87.3 55.1 60.3 147 147 A R - 0 0 31 -4,-0.3 -28,-0.2 1,-0.1 -29,-0.1 -0.982 64.2-143.4-135.5 148.5 88.0 53.5 63.7 148 148 A K S S+ 0 0 47 -30,-2.5 12,-2.8 -2,-0.3 2,-0.3 0.629 89.1 35.5 -84.7 -13.9 87.8 49.9 64.9 149 149 A A E + G 0 159A 0 -31,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.980 62.2 178.0-139.0 152.3 86.4 51.0 68.3 150 150 A T E - G 0 158A 0 8,-2.6 8,-2.4 -2,-0.3 2,-0.3 -0.969 23.8-129.2-150.8 154.6 84.2 53.8 69.7 151 151 A L E -fG 125 157A 0 -27,-2.1 -25,-3.3 -2,-0.3 2,-0.5 -0.745 21.5-137.2-100.1 156.0 82.8 54.8 73.0 152 152 A L E >> -fG 126 156A 3 4,-2.8 3,-2.0 -2,-0.3 4,-1.4 -0.982 29.0-107.6-120.8 119.2 79.0 55.4 73.4 153 153 A Q T 34 S- 0 0 40 -27,-2.6 -24,-0.2 -2,-0.5 -50,-0.2 -0.187 98.3 -5.7 -49.3 131.1 78.0 58.5 75.4 154 154 A H T 34 S+ 0 0 111 -52,-1.1 -1,-0.3 -55,-0.3 -51,-0.1 0.837 134.6 68.5 50.7 33.7 76.6 57.8 78.8 155 155 A H T <4 S- 0 0 20 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.486 88.8-101.6-141.4 -74.0 76.8 54.2 77.8 156 156 A G E < - G 0 152A 0 -4,-1.4 -4,-2.8 -58,-0.1 2,-0.3 -0.913 43.2 -45.7 175.1-139.7 80.0 52.1 77.2 157 157 A L E -EG 93 151A 0 -64,-2.3 -64,-2.1 -2,-0.3 2,-0.4 -0.923 27.6-171.2-133.9 147.3 82.3 50.7 74.6 158 158 A I E +EG 92 150A 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.4 -0.974 15.1 173.7-139.8 120.2 82.0 48.9 71.3 159 159 A A E -EG 91 149A 0 -68,-2.5 -68,-2.6 -2,-0.4 2,-0.3 -0.995 6.5-171.2-131.6 139.3 85.1 47.4 69.5 160 160 A C E +E 90 0A 0 -12,-2.8 2,-0.3 -2,-0.4 -70,-0.2 -0.932 10.7 157.9-132.8 153.5 85.5 45.2 66.5 161 161 A E E -E 89 0A 20 -72,-1.6 -73,-2.1 -2,-0.3 -72,-1.3 -0.891 56.6 -78.8-152.9-176.3 88.2 43.3 64.7 162 162 A V S S+ 0 0 54 -75,-0.3 2,-0.3 -2,-0.3 -75,-0.0 0.606 109.5 8.0 -70.5 -16.1 88.6 40.4 62.2 163 163 A N S > S- 0 0 61 -74,-0.2 4,-1.6 1,-0.1 -74,-0.2 -0.949 85.8 -92.9-154.9 171.7 88.1 37.7 64.9 164 164 A L H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.826 115.6 47.2 -62.7 -42.6 87.1 37.4 68.5 165 165 A E H > S+ 0 0 155 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 113.0 49.3 -72.2 -34.7 90.3 37.5 70.4 166 166 A K H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.852 113.1 48.7 -68.8 -31.9 91.6 40.5 68.4 167 167 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.911 112.6 47.8 -71.8 -41.6 88.3 42.2 69.2 168 168 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 111.7 50.8 -64.1 -42.9 88.6 41.2 72.9 169 169 A W H X S+ 0 0 113 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.963 111.0 47.3 -57.3 -54.7 92.2 42.5 72.9 170 170 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.917 112.1 50.0 -50.9 -52.4 91.2 45.8 71.4 171 171 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.912 113.7 46.1 -57.0 -43.4 88.3 46.2 73.8 172 172 A H H X S+ 0 0 62 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.867 111.3 51.9 -67.1 -38.0 90.6 45.5 76.7 173 173 A E H X S+ 0 0 24 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.838 105.0 55.9 -67.5 -36.1 93.2 47.8 75.3 174 174 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.855 103.9 54.1 -65.7 -32.4 90.7 50.6 75.1 175 175 A E H X S+ 0 0 18 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.879 109.2 49.8 -64.5 -42.1 89.9 50.2 78.9 176 176 A V H X S+ 0 0 52 -4,-1.4 4,-2.1 2,-0.2 5,-0.3 0.974 111.9 45.6 -62.0 -52.5 93.6 50.7 79.5 177 177 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.895 112.0 53.7 -58.8 -36.2 93.8 53.8 77.4 178 178 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.924 109.7 47.4 -64.4 -43.0 90.6 55.0 79.1 179 179 A Q H X S+ 0 0 89 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.815 109.6 51.2 -66.6 -37.8 92.1 54.5 82.5 180 180 A L H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.860 112.0 51.6 -65.4 -35.6 95.4 56.3 81.6 181 181 A Y H X S+ 0 0 15 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.971 111.2 42.9 -67.3 -55.9 93.2 59.1 80.4 182 182 A L H X S+ 0 0 41 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.951 114.3 52.8 -55.3 -49.1 91.1 59.5 83.5 183 183 A T H < S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.895 115.9 37.0 -56.1 -47.6 94.2 59.2 85.8 184 184 A T H >X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 3,-1.4 0.807 111.3 61.9 -78.4 -24.5 96.3 61.9 84.1 185 185 A L H 3< S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 96.4 59.8 -70.6 -27.4 93.2 64.1 83.4 186 186 A A T 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.477 114.9 35.4 -79.0 -0.7 92.6 64.4 87.2 187 187 A I T <4 S+ 0 0 134 -3,-1.4 2,-0.3 1,-0.5 -2,-0.2 0.710 131.4 10.2-117.1 -40.7 96.1 65.9 87.5 188 188 A T < - 0 0 78 -4,-2.6 -1,-0.5 4,-0.0 3,-0.1 -0.998 68.0-138.7-143.2 140.7 96.4 68.0 84.3 189 189 A D S S+ 0 0 89 -2,-0.3 2,-0.1 1,-0.3 -4,-0.1 -0.935 91.8 39.9-144.5 116.9 93.9 69.0 81.6 190 190 A P S S- 0 0 105 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.381 91.1-144.4 -74.5 150.9 94.9 68.9 78.8 191 191 A V - 0 0 17 -2,-0.1 -2,-0.1 1,-0.1 -6,-0.1 -0.616 28.2 -98.7 -84.1 137.9 96.9 65.7 79.0 192 192 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.200 48.6-171.2 -52.9 146.0 100.2 65.6 77.0 193 193 A V - 0 0 82 -3,-0.1 2,-0.3 -81,-0.0 -82,-0.2 -0.959 26.4-104.9-143.3 160.4 99.8 63.7 73.7 194 194 A L - 0 0 60 -84,-3.1 -84,-0.2 -2,-0.3 -82,-0.1 -0.623 46.6-106.2 -84.6 143.1 101.9 62.4 70.8 195 195 A S > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.266 26.9-109.9 -66.1 157.9 101.6 64.4 67.5 196 196 A D H > S+ 0 0 111 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.850 118.8 57.6 -56.3 -36.0 99.7 63.0 64.6 197 197 A E H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.915 103.2 49.5 -62.7 -46.6 102.9 62.5 62.8 198 198 A E H > S+ 0 0 81 -3,-0.3 4,-2.1 1,-0.2 3,-0.3 0.965 111.1 52.1 -60.4 -40.8 104.4 60.2 65.5 199 199 A I H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.3 -1,-0.2 0.890 104.4 56.3 -60.5 -39.1 101.1 58.3 65.3 200 200 A A H X S+ 0 0 46 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.898 106.6 49.9 -58.3 -43.1 101.6 58.0 61.5 201 201 A V H X S+ 0 0 63 -4,-2.1 4,-2.3 -3,-0.3 -1,-0.2 0.920 111.8 47.5 -60.7 -45.9 105.0 56.4 62.1 202 202 A V H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.941 109.1 53.3 -63.7 -44.2 103.5 53.9 64.5 203 203 A L H < S+ 0 0 64 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.0 52.5 -57.1 -36.7 100.6 53.2 62.2 204 204 A E H < S+ 0 0 160 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.935 110.6 44.6 -64.5 -48.0 103.4 52.5 59.6 205 205 A K H < 0 0 174 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.662 360.0 360.0 -72.7 -14.2 105.2 50.1 61.9 206 206 A F < 0 0 121 -4,-1.7 -89,-0.0 -5,-0.2 -3,-0.0 -0.360 360.0 360.0 -80.5 360.0 101.9 48.4 62.9