==== 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 LYASE 14-NOV-00 1G7U . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.A.ASOJO,J.M.FRIEDMAN,V.BELAKHOV,Y.SHOHAM,N.ADIR,T.BAASOV . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 1 2 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 0 164 0, 0.0 2,-0.2 0, 0.0 192,-0.0 0.000 360.0 360.0 360.0-169.6 24.5 138.5 68.4 2 2 A K - 0 0 90 1,-0.0 2,-0.3 14,-0.0 0, 0.0 -0.584 360.0 -95.9 -92.4 165.7 26.3 135.9 70.4 3 3 A Q - 0 0 37 -2,-0.2 191,-0.2 1,-0.1 190,-0.1 -0.711 35.2-111.9 -89.6 138.0 24.3 133.0 72.1 4 4 A K - 0 0 71 189,-1.7 11,-0.4 -2,-0.3 2,-0.4 -0.220 33.2-142.0 -60.9 156.7 23.1 133.2 75.7 5 5 A V - 0 0 47 9,-0.1 2,-0.4 189,-0.1 9,-0.1 -0.697 17.2-167.3-136.9 90.3 24.8 130.7 78.0 6 6 A V - 0 0 8 -2,-0.4 7,-1.7 157,-0.3 2,-0.5 -0.539 30.3-138.9 -71.6 123.0 23.4 128.7 80.9 7 7 A S E -A 12 0A 72 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.754 21.7-173.2 -96.8 120.6 26.4 127.3 82.8 8 8 A I E > -A 11 0A 7 3,-2.3 3,-2.6 -2,-0.5 83,-0.1 -0.836 58.6 -76.7-109.9 92.1 26.5 123.8 84.2 9 9 A G T 3 S- 0 0 58 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 -0.307 113.3 -12.7 54.1-132.3 29.7 123.4 86.2 10 10 A D T 3 S+ 0 0 152 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.654 129.1 83.6 -73.8 -12.2 32.6 123.1 83.8 11 11 A I E < -A 8 0A 12 -3,-2.6 -3,-2.3 41,-0.1 2,-0.4 -0.702 59.0-173.7 -92.5 143.1 30.1 122.5 81.1 12 12 A N E -A 7 0A 63 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.985 12.1-151.7-138.7 112.5 28.5 125.5 79.4 13 13 A V + 0 0 0 -7,-1.7 2,-0.2 -2,-0.4 222,-0.1 -0.588 34.8 141.0 -77.3 154.4 25.7 124.8 76.9 14 14 A A B > -B 17 0B 0 3,-0.6 3,-1.3 4,-0.3 6,-0.1 -0.745 60.1-106.2 172.3 152.2 25.4 127.5 74.2 15 15 A N T 3 S+ 0 0 7 -11,-0.4 4,-0.1 178,-0.3 -10,-0.1 0.553 121.6 33.7 -74.6 -9.0 24.7 127.6 70.5 16 16 A D T 3 S+ 0 0 61 -13,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.207 103.6 85.7-123.2 9.6 28.2 128.2 69.4 17 17 A L B < S-B 14 0B 52 -3,-1.3 -3,-0.6 1,-0.2 3,-0.3 -0.986 100.6 -83.9-115.4 114.3 29.7 126.3 72.3 18 18 A P - 0 0 75 0, 0.0 2,-0.9 0, 0.0 -4,-0.3 0.633 53.2 -77.3 -10.0 155.0 29.8 122.5 71.2 19 19 A F - 0 0 3 248,-0.2 216,-0.4 216,-0.1 2,-0.2 -0.536 48.7-152.2 -71.2 102.8 27.0 120.0 71.4 20 20 A V E -c 235 0C 6 214,-2.2 216,-2.2 -2,-0.9 2,-0.7 -0.541 16.4-125.0 -69.1 144.7 26.9 119.1 75.0 21 21 A L E -cd 236 52C 1 30,-0.9 32,-1.9 214,-0.2 2,-1.4 -0.882 20.8-169.7 -98.7 114.4 25.6 115.6 75.4 22 22 A F E +cd 237 53C 0 214,-2.3 216,-1.2 -2,-0.7 32,-0.2 -0.816 36.6 171.0 -93.7 79.1 22.6 115.3 77.8 23 23 A G E + d 0 54C 0 30,-2.2 32,-1.7 -2,-1.4 2,-0.3 -0.153 12.1 99.6 -81.0-173.7 23.1 111.5 77.5 24 24 A G E - d 0 55C 0 30,-0.3 216,-2.5 13,-0.1 2,-0.3 -0.984 58.9 -84.4 148.6-140.6 21.4 108.8 79.6 25 25 A M - 0 0 3 30,-1.4 216,-0.1 -2,-0.3 3,-0.1 -0.911 39.8-100.3-162.8 174.8 18.6 106.2 79.5 26 26 A N S S+ 0 0 22 214,-0.3 31,-0.5 -2,-0.3 3,-0.3 0.111 84.1 17.9 -89.3-148.7 14.9 106.3 80.2 27 27 A V S S- 0 0 19 220,-0.2 2,-1.4 1,-0.2 -1,-0.2 0.342 85.0-108.0 -20.2 127.4 12.9 105.2 83.3 28 28 A L + 0 0 5 29,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.525 55.7 164.4 -66.9 93.0 15.3 104.8 86.4 29 29 A E + 0 0 23 -2,-1.4 2,-0.6 -3,-0.3 -1,-0.2 0.974 50.4 13.0 -83.1 -82.0 15.3 101.0 86.6 30 30 A S >> - 0 0 58 1,-0.1 4,-2.4 50,-0.0 3,-1.3 -0.887 62.2-134.4-106.9 125.5 18.0 99.3 88.7 31 31 A R T 34 S+ 0 0 144 -2,-0.6 4,-0.4 1,-0.3 53,-0.2 0.725 120.0 31.9 -36.7 -27.4 20.1 101.4 91.1 32 32 A D T 3> S+ 0 0 84 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.527 106.1 70.0-110.0 -15.9 22.8 99.3 89.4 33 33 A L H X> S+ 0 0 39 -3,-1.3 4,-1.3 2,-0.2 3,-0.9 0.923 96.4 60.4 -60.5 -50.9 21.2 98.9 85.9 34 34 A A H >X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 3,-1.5 0.930 93.1 63.5 -32.7 -70.1 22.0 102.6 85.6 35 35 A M H 3>>S+ 0 0 37 -4,-0.4 4,-2.5 2,-0.3 5,-0.7 0.633 97.5 52.8 -32.1 -48.8 25.7 102.0 86.1 36 36 A R H X5S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 3,-0.8 0.988 117.8 39.4 -70.6 -60.7 26.0 105.6 83.5 39 39 A E H 3X5S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -3,-0.2 0.895 111.3 59.0 -55.2 -47.3 29.6 104.4 83.5 40 40 A H H 3XX>S+ 0 0 14 -4,-2.0 3,-1.9 1,-0.2 4,-1.8 0.986 110.5 40.8 -48.0 -65.4 32.7 111.4 76.6 46 46 A Q H 3<5S+ 0 0 159 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.781 107.7 59.9 -49.9 -46.4 36.2 111.8 77.9 47 47 A K H 3<5S+ 0 0 150 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.837 120.6 29.5 -57.2 -29.3 37.8 109.8 75.1 48 48 A L H <<5S- 0 0 25 -3,-1.9 -2,-0.3 -4,-1.6 -1,-0.2 0.616 107.3-111.8-110.2 -14.4 36.3 112.3 72.7 49 49 A G T <5 + 0 0 58 -4,-1.8 -3,-0.2 1,-0.4 -4,-0.1 0.891 67.6 141.1 83.2 35.4 36.1 115.7 74.5 50 50 A I < - 0 0 13 -5,-1.3 -1,-0.4 -6,-0.2 2,-0.2 -0.857 51.8-127.1-103.5 141.3 32.3 115.6 74.6 51 51 A P - 0 0 33 0, 0.0 -30,-0.9 0, 0.0 2,-0.4 -0.558 27.6-133.3 -86.0 168.9 31.1 117.0 77.8 52 52 A Y E +d 21 0C 15 -2,-0.2 39,-0.7 -32,-0.1 2,-0.4 -0.972 32.8 167.2-139.2 134.1 28.6 114.9 79.8 53 53 A V E -de 22 91C 0 -32,-1.9 -30,-2.2 -2,-0.4 2,-0.4 -0.992 31.3-140.2-131.4 122.3 25.3 115.2 81.6 54 54 A F E -d 23 0C 3 37,-2.3 39,-0.5 -2,-0.4 2,-0.4 -0.797 12.7-146.8 -89.4 133.7 23.7 111.8 82.4 55 55 A K E +d 24 0C 7 -32,-1.7 -30,-1.4 -2,-0.4 2,-0.3 -0.879 28.3 153.7-106.0 131.3 19.9 111.7 82.0 56 56 A A - 0 0 4 37,-1.4 2,-0.4 -2,-0.4 37,-0.1 -0.973 27.0-144.5-154.1 145.8 17.7 109.5 84.3 57 57 A S - 0 0 8 -31,-0.5 -29,-2.7 -2,-0.3 37,-0.1 -0.941 6.8-155.5-124.1 132.0 14.0 109.8 85.4 58 58 A F + 0 0 0 -2,-0.4 15,-1.2 37,-0.2 2,-0.2 0.312 70.0 33.6 -83.8 6.5 12.4 108.9 88.7 59 59 A D - 0 0 23 13,-0.2 12,-0.2 1,-0.1 -31,-0.1 -0.885 49.5-148.5-150.8-176.1 8.9 108.2 87.5 60 60 A K + 0 0 28 10,-0.3 2,-2.4 -2,-0.2 -1,-0.1 0.526 35.4 138.4-119.6 -95.0 6.2 107.0 85.1 61 61 A A + 0 0 58 3,-0.1 2,-0.5 1,-0.1 -1,-0.0 -0.141 55.4 98.4 68.8 -44.1 2.7 108.6 84.8 62 62 A N S S- 0 0 97 -2,-2.4 2,-0.1 8,-0.1 -1,-0.1 -0.677 91.5 -22.0 -85.7 120.9 2.7 108.4 81.0 63 63 A R S S+ 0 0 206 -2,-0.5 -2,-0.0 -3,-0.0 -3,-0.0 -0.468 111.3 35.9 83.3-148.9 0.8 105.4 79.5 64 64 A S S S+ 0 0 88 -2,-0.1 -3,-0.1 1,-0.1 3,-0.1 0.135 73.4 151.5 -34.9 139.7 -0.0 102.0 81.3 65 65 A S > + 0 0 75 1,-0.1 3,-1.7 -5,-0.1 -1,-0.1 -0.173 45.1 119.5-141.4-144.3 -0.9 102.0 85.1 66 66 A I T 3 S- 0 0 169 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.679 128.9 -40.3 60.7 27.6 -2.4 101.0 88.6 67 67 A H T > S+ 0 0 128 1,-0.2 3,-2.7 -3,-0.1 -1,-0.3 -0.282 87.0 169.2 115.3 -39.2 1.4 100.7 89.3 68 68 A S T < S- 0 0 67 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.399 81.9 -46.8 -2.8 76.9 2.6 99.1 86.0 69 69 A Y T 3 S+ 0 0 133 1,-0.1 -1,-0.3 -4,-0.1 -4,-0.0 0.857 81.1 175.1 46.9 48.6 6.4 99.5 86.5 70 70 A R < - 0 0 104 -3,-2.7 -10,-0.3 1,-0.1 3,-0.2 0.524 39.1-111.0 -63.3 -5.5 5.9 103.2 87.5 71 71 A G - 0 0 19 -12,-0.2 -11,-0.2 -4,-0.2 -1,-0.1 0.027 47.2 -45.3 89.7 154.2 9.5 103.8 88.4 72 72 A P S >S- 0 0 36 0, 0.0 5,-0.6 0, 0.0 4,-0.3 0.373 70.2-126.3 -29.2 -24.4 11.6 104.4 91.7 73 73 A G T >5 - 0 0 20 -15,-1.2 4,-3.4 -3,-0.2 5,-0.2 0.744 35.1 -86.2 67.1 120.4 9.3 107.0 93.4 74 74 A L H >5S+ 0 0 43 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.670 127.0 53.6 -21.3 -62.8 11.1 110.3 94.4 75 75 A E H >5S+ 0 0 147 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.920 123.0 24.3 -44.9 -82.4 12.2 108.8 97.8 76 76 A E H >>5S+ 0 0 99 -4,-0.3 4,-1.0 1,-0.2 3,-0.6 0.835 121.5 62.3 -60.0 -21.9 13.9 105.7 96.5 77 77 A G H 3X<>S+ 0 0 40 -4,-2.0 3,-1.4 -5,-0.3 5,-0.5 0.921 109.3 9.4 -44.4 -90.0 26.8 110.8 91.3 86 86 A Q H 3<5S+ 0 0 158 -4,-0.8 3,-0.4 2,-0.3 -1,-0.2 0.750 110.6 86.7 -68.7 -21.7 30.2 110.8 93.0 87 87 A T H 3<5S- 0 0 67 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.882 130.7 -7.6 -45.5 -34.4 30.8 107.2 91.8 88 88 A F T <<5S- 0 0 57 -4,-1.6 -1,-0.3 -3,-1.4 -2,-0.3 -0.159 101.7-123.5-151.7 38.3 32.0 109.3 88.9 89 89 A G T 5 + 0 0 58 -3,-0.4 2,-0.3 -6,-0.2 -3,-0.3 0.656 53.3 160.5 9.9 86.6 30.9 112.7 90.1 90 90 A V < - 0 0 21 -5,-0.5 2,-0.5 -6,-0.1 -1,-0.1 -0.950 45.9 -99.9-133.7 159.7 28.7 113.8 87.2 91 91 A K B -e 53 0C 40 -39,-0.7 -37,-2.3 -2,-0.3 2,-0.1 -0.552 44.5-177.7 -77.2 115.8 25.9 116.2 86.1 92 92 A I - 0 0 2 -2,-0.5 19,-1.9 16,-0.3 18,-1.1 -0.328 11.7-143.2-107.4-173.3 22.5 114.5 86.0 93 93 A I - 0 0 0 -39,-0.5 -37,-1.4 17,-0.2 2,-0.4 -0.955 12.0-178.4-156.9 136.7 18.8 115.6 85.1 94 94 A T - 0 0 0 17,-0.5 19,-1.6 -2,-0.3 2,-0.4 -0.954 20.7-139.0-149.6 132.0 15.2 115.0 86.2 95 95 A D B -f 113 0C 20 -2,-0.4 19,-0.2 17,-0.3 -37,-0.2 -0.637 20.6-153.5 -77.2 121.3 11.7 116.0 85.2 96 96 A V - 0 0 0 17,-1.3 -1,-0.1 -2,-0.4 -37,-0.1 -0.081 5.9-164.7 -78.8-166.3 9.4 116.9 88.0 97 97 A H + 0 0 30 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.510 67.2 25.3-148.5 -43.5 5.6 116.4 87.5 98 98 A E S > S- 0 0 155 1,-0.2 3,-0.8 29,-0.1 -1,-0.1 -0.901 89.4-107.9-141.6 108.1 3.4 118.1 90.0 99 99 A P G > S+ 0 0 37 0, 0.0 3,-3.0 0, 0.0 -1,-0.2 0.371 102.1 63.7 8.8 -89.0 4.9 121.2 91.9 100 100 A S G > S+ 0 0 119 1,-0.3 3,-0.8 2,-0.1 24,-0.0 0.677 100.0 52.6 -13.8 -76.6 5.6 120.2 95.5 101 101 A Q G <> S+ 0 0 34 -3,-0.8 4,-1.3 1,-0.3 -1,-0.3 0.326 83.7 101.1 -52.1 4.8 8.3 117.6 94.7 102 102 A A G <4 S+ 0 0 4 -3,-3.0 -1,-0.3 3,-0.1 -2,-0.1 0.378 83.3 41.3 -75.7 -2.1 10.0 120.4 92.6 103 103 A Q T <4 S+ 0 0 89 -3,-0.8 -2,-0.1 -4,-0.1 -1,-0.1 0.747 109.8 49.6-112.2 -53.7 12.6 121.1 95.3 104 104 A P T > S+ 0 0 69 0, 0.0 4,-0.5 0, 0.0 -2,-0.1 0.959 114.3 48.4 -51.0 -52.9 13.7 117.8 96.7 105 105 A V H >X S+ 0 0 0 -4,-1.3 2,-3.1 1,-0.3 4,-1.4 0.911 101.0 70.7 -47.7 -48.7 14.3 116.6 93.2 106 106 A A H 34 S+ 0 0 11 -5,-0.2 -1,-0.3 1,-0.2 4,-0.1 -0.337 92.0 56.8 -70.5 63.9 16.1 119.9 92.7 107 107 A D H 34 S+ 0 0 119 -2,-3.1 -1,-0.2 26,-0.0 -2,-0.2 0.248 108.5 35.7-157.5 -38.2 19.1 118.8 94.9 108 108 A V H << S+ 0 0 15 -3,-1.3 -16,-0.3 -4,-0.5 -2,-0.1 0.824 110.0 68.3 -91.3 -41.1 20.6 115.6 93.5 109 109 A V < - 0 0 12 -4,-1.4 -16,-0.2 1,-0.1 3,-0.2 -0.476 65.1-156.1 -78.0 153.8 20.0 116.5 89.8 110 110 A D S S+ 0 0 46 -18,-1.1 24,-1.0 1,-0.2 2,-0.5 0.793 85.9 34.3 -97.7 -36.8 21.9 119.3 88.1 111 111 A V E S- g 0 134C 0 -19,-1.9 -17,-0.5 22,-0.1 -1,-0.2 -0.806 75.3-158.0-123.4 91.4 19.3 120.1 85.3 112 112 A I E - g 0 135C 0 22,-0.6 24,-0.7 -2,-0.5 2,-0.3 -0.102 15.1-148.1 -58.0 170.0 15.6 119.7 86.3 113 113 A Q E -fg 95 136C 7 -19,-1.6 -17,-1.3 22,-0.2 24,-0.2 -0.998 11.0-143.2-148.5 139.9 13.2 119.2 83.4 114 114 A L E - g 0 137C 0 22,-0.6 24,-1.3 -2,-0.3 5,-0.1 -0.912 32.0-117.5-109.1 114.9 9.5 120.1 82.6 115 115 A P >> - 0 0 16 0, 0.0 3,-3.3 0, 0.0 4,-0.7 -0.142 19.5-119.8 -49.7 131.2 7.5 117.4 80.6 116 116 A A G >4 S+ 0 0 4 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.800 112.4 61.1 -39.9 -37.3 6.2 118.5 77.1 117 117 A F G 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.565 107.9 38.2 -68.9 -18.9 2.7 117.8 78.5 118 118 A L G X4 S+ 0 0 39 -3,-3.3 3,-0.9 1,-0.1 -1,-0.2 0.275 78.4 113.4-116.6 6.9 2.7 120.3 81.3 119 119 A A G X< S+ 0 0 5 -3,-0.8 2,-0.9 -4,-0.7 3,-0.5 0.855 80.7 47.8 -47.3 -46.5 4.6 123.2 79.6 120 120 A R G 3 S+ 0 0 140 -4,-0.3 -1,-0.3 1,-0.2 31,-0.0 -0.342 86.3 104.3 -91.8 53.4 1.6 125.5 79.6 121 121 A Q G < - 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0 0 0 -2,-2.2 4,-1.8 3,-0.2 3,-0.2 -0.018 21.7-120.5 110.9 137.6 15.6 99.3 77.1 246 246 A H T 4 S+ 0 0 118 1,-0.2 5,-0.2 2,-0.2 3,-0.1 0.907 128.2 41.2 -66.5 -35.8 12.8 97.7 79.0 247 247 A A T 4 S+ 0 0 17 1,-0.2 -1,-0.2 -220,-0.2 -220,-0.2 0.428 126.1 33.8 -90.1 1.2 11.6 101.3 78.8 248 248 A K T 4 S+ 0 0 0 3,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.304 100.5 71.8-135.5 1.9 12.7 101.8 75.1 249 249 A C S < S+ 0 0 70 -4,-1.8 -4,-0.1 -3,-0.1 -2,-0.1 0.025 120.2 20.2-101.5 18.3 12.1 98.4 73.5 250 250 A D S S+ 0 0 123 2,-0.2 -3,-0.1 -6,-0.1 -2,-0.1 0.306 128.3 38.7-146.7 -54.5 8.4 99.2 73.9 251 251 A G S S- 0 0 33 -5,-0.2 -3,-0.2 -4,-0.1 -4,-0.0 0.661 116.0 -12.0 -75.1-121.8 7.8 103.1 74.2 252 252 A P S S- 0 0 16 0, 0.0 -2,-0.2 0, 0.0 -50,-0.1 0.499 88.0 -73.3 -59.8-153.3 10.1 105.4 72.1 253 253 A S - 0 0 0 -52,-0.4 2,-0.2 -4,-0.1 -3,-0.1 -0.210 49.7-149.7 -92.5-166.6 13.3 104.5 70.2 254 254 A A - 0 0 4 -2,-0.1 -14,-0.2 -53,-0.1 -33,-0.1 -0.803 14.1-120.1-177.5 135.1 16.6 103.7 71.8 255 255 A L E -l 240 0E 3 -16,-2.3 -14,-2.7 -2,-0.2 2,-0.9 -0.542 33.1-119.5 -81.6 127.3 20.4 103.8 71.4 256 256 A P E >> -l 241 0E 49 0, 0.0 3,-3.6 0, 0.0 4,-0.9 -0.528 25.0-138.1 -66.6 100.9 22.3 100.5 71.5 257 257 A L G >4 S+ 0 0 6 -16,-2.6 3,-0.5 -2,-0.9 4,-0.3 0.743 101.5 40.3 -27.5 -50.8 24.6 101.1 74.6 258 258 A A G 34 S+ 0 0 77 1,-0.2 -1,-0.3 -17,-0.2 3,-0.2 0.590 106.8 64.1 -83.5 -8.4 27.7 99.6 72.9 259 259 A K G <4 S+ 0 0 140 -3,-3.6 4,-0.4 1,-0.1 -2,-0.2 0.602 81.9 90.8 -86.8 -9.6 26.9 101.3 69.6 260 260 A L XX + 0 0 1 -4,-0.9 3,-1.9 -3,-0.5 4,-1.8 0.883 68.5 65.3 -48.7 -64.0 27.4 104.7 71.2 261 261 A E H 3> S+ 0 0 46 -4,-0.3 4,-2.3 1,-0.3 5,-0.2 0.860 105.5 39.1 -33.4 -65.6 31.1 105.5 70.6 262 262 A P H 34 S+ 0 0 75 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.582 109.4 64.0 -67.5 -11.9 31.3 105.8 66.8 263 263 A F H X> S+ 0 0 14 -3,-1.9 4,-2.3 -4,-0.4 3,-1.5 0.956 107.2 41.9 -72.2 -55.9 27.9 107.6 66.8 264 264 A L H 3X S+ 0 0 1 -4,-1.8 4,-4.3 1,-0.3 5,-0.3 0.907 106.0 61.7 -59.5 -42.6 29.4 110.4 68.7 265 265 A K H 3X S+ 0 0 91 -4,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.750 108.8 46.4 -54.4 -24.3 32.6 110.3 66.6 266 266 A Q H <> S+ 0 0 81 -3,-1.5 4,-3.4 -4,-0.3 5,-0.3 0.938 115.0 44.3 -77.0 -58.4 30.2 111.2 63.8 267 267 A M H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.791 114.4 50.7 -58.1 -30.5 28.5 113.9 65.8 268 268 A K H X S+ 0 0 68 -4,-4.3 4,-2.8 -5,-0.2 -1,-0.2 0.968 116.0 39.2 -74.4 -47.9 31.8 115.2 67.0 269 269 A A H X S+ 0 0 57 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.916 118.9 46.8 -69.3 -41.4 33.4 115.5 63.6 270 270 A I H < S+ 0 0 47 -4,-3.4 -1,-0.2 2,-0.2 -3,-0.2 0.954 117.7 42.2 -62.9 -51.6 30.2 116.7 61.8 271 271 A D H >X S+ 0 0 8 -4,-1.7 3,-3.6 -5,-0.3 4,-1.6 0.957 105.1 73.6 -56.6 -44.9 29.5 119.2 64.5 272 272 A D H 3X S+ 0 0 85 -4,-2.8 4,-0.9 1,-0.3 3,-0.4 0.796 96.9 41.2 -39.8 -59.1 33.2 119.9 64.4 273 273 A L H 3X S+ 0 0 108 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.207 112.9 57.3 -83.4 26.1 33.3 121.8 61.2 274 274 A V H <4 S+ 0 0 29 -3,-3.6 -1,-0.2 2,-0.2 -2,-0.2 0.711 102.1 46.9-116.6 -45.5 30.1 123.7 61.9 275 275 A K H < S+ 0 0 52 -4,-1.6 -2,-0.2 -3,-0.4 -3,-0.1 0.695 117.7 52.8 -67.6 -18.9 30.8 125.5 65.1 276 276 A G H < S+ 0 0 53 -4,-0.9 -2,-0.2 -5,-0.5 3,-0.2 0.958 83.2 100.7 -73.5 -74.9 34.0 126.2 63.1 277 277 A F S < S- 0 0 138 -4,-0.6 2,-0.2 1,-0.1 3,-0.1 0.371 82.9-115.3 -15.6 113.5 32.3 127.6 60.0 278 278 A E - 0 0 166 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.406 45.8 -83.8 -69.4 123.6 32.4 131.4 60.1 279 279 A E + 0 0 157 -3,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.060 59.1 169.6 -27.7 121.3 29.0 132.9 60.4 280 280 A L + 0 0 155 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.826 8.2 178.3-131.0 173.0 27.4 133.3 57.0 281 281 A D - 0 0 105 -2,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.906 21.7-147.7-174.9 149.7 23.8 134.2 56.2 282 282 A T + 0 0 122 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.142 58.9 116.4-127.7 39.8 21.9 134.7 52.9 283 283 A S 0 0 99 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.026 360.0 360.0 -89.7 24.4 19.2 137.3 53.5 284 284 A K 0 0 211 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.263 360.0 360.0 179.9 360.0 21.2 139.3 50.9