==== 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 LIGASE 08-DEC-05 2FB9 . COMPND 2 MOLECULE: D-ALANINE:D-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS CALDOPHILUS; . AUTHOR J.H.LEE,Y.NA,S.H.EOM . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 2 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 . 1 1 2 0 3 1 1 1 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 1 1 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 0 238 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 159.0 103.6 4.4 -13.5 2 2 A E - 0 0 172 1,-0.1 3,-0.0 3,-0.0 2,-0.0 -0.351 360.0 -90.0 -77.3 161.0 103.0 2.9 -10.0 3 3 A F - 0 0 172 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.357 43.0-114.1 -66.4 151.7 100.8 4.7 -7.4 4 4 A M - 0 0 39 -3,-0.1 2,-0.5 73,-0.0 -1,-0.1 -0.700 30.9-137.8 -86.2 143.2 102.7 7.1 -5.2 5 5 A R - 0 0 131 -2,-0.3 73,-2.9 28,-0.1 74,-1.1 -0.911 18.3-169.6-110.7 126.8 102.7 5.9 -1.5 6 6 A V E -ab 35 79A 2 28,-2.3 30,-2.8 -2,-0.5 2,-0.5 -0.865 12.1-150.0-114.2 145.5 102.1 8.2 1.4 7 7 A L E -ab 36 80A 1 72,-2.0 74,-3.1 -2,-0.4 2,-0.5 -0.965 11.5-159.8-114.1 120.6 102.6 7.6 5.1 8 8 A L E -ab 37 81A 0 28,-3.2 30,-2.2 -2,-0.5 2,-0.5 -0.873 3.5-165.2-100.3 129.5 100.3 9.5 7.4 9 9 A I E +ab 38 82A 0 72,-2.5 74,-1.7 -2,-0.5 2,-0.3 -0.975 19.4 164.6-115.3 126.5 101.5 9.9 11.0 10 10 A A E +ab 39 83A 0 28,-2.2 30,-2.7 -2,-0.5 2,-0.7 -0.875 34.8 46.0-137.8 169.9 98.9 11.0 13.5 11 11 A G E -a 40 0A 0 72,-0.5 74,-0.5 -2,-0.3 9,-0.2 -0.894 61.7-176.2 102.8-117.6 98.2 11.2 17.3 12 12 A G - 0 0 2 28,-2.7 76,-0.1 -2,-0.7 77,-0.1 -0.152 40.5 -91.7 104.3 160.5 101.2 12.5 19.2 13 13 A V S S+ 0 0 57 75,-0.3 -1,-0.1 74,-0.2 75,-0.1 0.529 89.9 100.2 -88.5 -8.2 102.1 13.1 22.8 14 14 A S S > S- 0 0 7 73,-0.4 3,-2.0 71,-0.3 71,-0.1 -0.341 91.2-104.0 -75.7 160.2 100.9 16.7 23.0 15 15 A P T 3 S+ 0 0 87 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.660 119.4 68.2 -58.6 -12.3 97.6 17.7 24.5 16 16 A E T 3> + 0 0 57 69,-0.2 4,-2.1 1,-0.2 3,-0.5 0.254 65.0 115.2 -91.2 15.2 96.3 18.1 21.0 17 17 A H H <> S+ 0 0 1 -3,-2.0 4,-2.4 1,-0.2 -6,-0.2 0.866 73.5 50.6 -50.3 -44.2 96.6 14.4 20.4 18 18 A E H > S+ 0 0 79 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.855 106.7 53.8 -67.5 -34.3 92.8 14.0 19.9 19 19 A V H > S+ 0 0 54 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.928 110.2 48.8 -64.0 -43.2 92.6 16.8 17.4 20 20 A S H >X S+ 0 0 0 -4,-2.1 4,-1.6 -9,-0.2 3,-1.4 0.973 110.2 48.4 -59.5 -58.1 95.3 15.0 15.4 21 21 A L H 3X S+ 0 0 6 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.863 107.4 57.9 -50.5 -39.8 93.6 11.6 15.4 22 22 A L H 3X S+ 0 0 74 -4,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.811 105.0 51.5 -61.5 -31.8 90.4 13.2 14.4 23 23 A S H XX S+ 0 0 0 -3,-1.4 4,-2.4 -4,-1.2 3,-0.6 0.873 96.0 69.9 -71.8 -40.6 92.1 14.6 11.3 24 24 A A H 3X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.3 5,-0.3 0.862 93.8 54.1 -45.6 -50.1 93.5 11.2 10.3 25 25 A E H 3X S+ 0 0 98 -4,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.907 113.1 44.4 -55.1 -43.0 90.1 9.7 9.3 26 26 A G H - 0 0 0 4,-2.9 3,-3.0 -2,-0.7 -30,-0.0 -0.315 24.7-105.0 -70.8 157.0 100.1 7.0 21.2 42 42 A Q T 3 S+ 0 0 84 19,-2.3 -1,-0.1 1,-0.3 21,-0.1 0.756 121.8 59.0 -54.5 -24.2 99.8 9.6 24.1 43 43 A D T 3 S- 0 0 78 18,-0.3 -1,-0.3 19,-0.3 3,-0.1 0.364 120.7-107.3 -88.0 6.9 102.5 7.5 25.9 44 44 A G S < S+ 0 0 25 -3,-3.0 2,-0.2 1,-0.3 -2,-0.1 0.160 81.6 120.6 93.3 -21.7 105.0 8.0 23.1 45 45 A R - 0 0 113 18,-0.3 -4,-2.9 17,-0.2 -1,-0.3 -0.530 59.7-120.8 -80.1 147.6 104.8 4.5 21.7 46 46 A W E -CD 40 66A 7 20,-2.9 20,-2.5 -6,-0.2 19,-2.4 -0.503 12.3-152.6 -91.0 153.6 103.8 3.9 18.1 47 47 A L E -C 39 0A 7 -8,-2.7 -8,-2.6 17,-0.2 2,-0.2 -0.995 21.3-175.1-123.1 125.6 100.9 1.8 16.7 48 48 A L >> - 0 0 26 -2,-0.4 3,-1.0 -10,-0.2 4,-1.0 -0.697 43.8 -13.3-118.4 170.6 101.4 0.4 13.2 49 49 A G H 3> S+ 0 0 48 -12,-0.4 4,-1.4 1,-0.2 3,-0.4 -0.051 127.7 5.1 44.3-124.5 99.3 -1.5 10.7 50 50 A E H 3> S+ 0 0 166 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 130.7 53.5 -58.5 -46.2 96.1 -3.0 12.1 51 51 A K H <> S+ 0 0 106 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.825 104.5 58.0 -60.7 -32.3 96.3 -1.5 15.6 52 52 A A H X S+ 0 0 0 -4,-1.0 4,-0.6 -3,-0.4 -1,-0.2 0.936 108.3 44.0 -64.4 -47.6 96.7 2.0 14.0 53 53 A L H >< S+ 0 0 101 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.933 110.9 53.6 -63.5 -46.0 93.4 1.9 12.1 54 54 A T H >< S+ 0 0 81 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.870 99.8 64.7 -56.8 -34.5 91.6 0.4 15.1 55 55 A A H >< S+ 0 0 10 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.762 88.9 67.3 -59.3 -26.5 92.9 3.4 17.1 56 56 A L T << S+ 0 0 33 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.517 83.2 76.1 -72.8 -3.7 90.8 5.6 14.8 57 57 A E T < S+ 0 0 173 -3,-2.3 2,-0.3 -4,-0.2 -1,-0.3 0.568 96.6 51.7 -82.5 -9.1 87.8 4.1 16.4 58 58 A A S < S- 0 0 58 -3,-1.5 3,-0.1 -4,-0.2 0, 0.0 -0.809 86.2-117.3-125.0 166.1 88.3 6.2 19.5 59 59 A K S S+ 0 0 106 -2,-0.3 2,-0.3 1,-0.1 -37,-0.2 0.692 99.4 17.1 -73.8 -19.3 88.9 9.9 20.3 60 60 A A - 0 0 19 -39,-0.1 -1,-0.1 -5,-0.1 3,-0.1 -0.982 60.7-145.3-151.2 159.8 92.3 9.0 21.7 61 61 A A + 0 0 1 -2,-0.3 -19,-2.3 -21,-0.2 -18,-0.3 -0.854 22.8 163.9-130.9 94.0 94.9 6.3 21.7 62 62 A P + 0 0 68 0, 0.0 -19,-0.3 0, 0.0 -17,-0.2 0.566 59.3 92.0 -84.5 -7.4 96.8 6.0 25.0 63 63 A E + 0 0 109 -21,-0.1 -18,-0.3 -3,-0.1 -20,-0.2 0.905 49.4 169.8 -50.4-112.4 98.0 2.6 23.8 64 64 A G - 0 0 17 -20,-0.1 -17,-0.2 -22,-0.1 -18,-0.2 0.528 14.1-173.9 93.6 120.1 101.3 2.4 22.0 65 65 A E + 0 0 90 -19,-2.4 -18,-0.2 1,-0.2 -20,-0.0 0.761 65.2 60.1-110.4 -43.7 103.1 -0.9 21.2 66 66 A H B S-D 46 0A 42 -20,-2.5 -20,-2.9 2,-0.1 -1,-0.2 -0.788 80.6-122.1 -99.4 126.2 106.4 0.1 19.7 67 67 A P - 0 0 84 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.331 56.2 -75.7 -60.4 143.7 109.1 2.1 21.5 68 68 A F S S+ 0 0 105 1,-0.1 -22,-0.1 2,-0.1 -2,-0.1 0.509 122.2 63.1 -9.2 -92.9 110.0 5.3 19.6 69 69 A P S S- 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.177 91.6-151.0 -49.3 90.5 112.2 4.3 16.6 70 70 A P - 0 0 9 0, 0.0 2,-2.5 0, 0.0 -2,-0.1 -0.256 21.4-110.5 -68.4 149.2 109.3 2.2 15.2 71 71 A P + 0 0 89 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 -0.437 67.9 145.0 -78.8 66.3 109.8 -0.9 13.1 72 72 A L - 0 0 28 -2,-2.5 3,-0.1 1,-0.1 -34,-0.0 -0.874 54.3-134.8-108.0 138.9 108.4 1.0 10.0 73 73 A S + 0 0 58 -2,-0.4 2,-4.5 1,-0.2 -1,-0.1 0.822 27.1 179.6 -64.4 -30.6 109.8 0.3 6.6 74 74 A W > + 0 0 23 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 -0.055 69.4 78.0 58.8 -45.5 110.1 4.0 5.6 75 75 A E T 3 S+ 0 0 178 -2,-4.5 -1,-0.2 1,-0.3 -2,-0.1 0.664 81.0 68.3 -66.6 -14.6 111.5 2.9 2.2 76 76 A R T 3 S+ 0 0 155 2,-0.0 2,-0.4 -70,-0.0 -1,-0.3 0.464 92.0 73.6 -84.9 0.8 108.0 2.1 1.1 77 77 A Y < - 0 0 17 -3,-1.6 -71,-0.2 1,-0.1 3,-0.1 -0.909 56.1-162.4-121.5 144.6 106.9 5.7 1.1 78 78 A D S S+ 0 0 68 -73,-2.9 2,-0.3 -2,-0.4 -72,-0.2 0.780 85.3 11.7 -86.5 -32.2 107.6 8.6 -1.3 79 79 A V E -b 6 0A 0 -74,-1.1 -72,-2.0 24,-0.1 2,-0.4 -0.996 64.7-143.9-148.1 147.0 106.4 11.2 1.3 80 80 A V E -be 7 105A 0 24,-2.3 26,-2.5 -2,-0.3 -72,-0.2 -0.937 5.8-158.4-114.9 133.5 105.6 11.4 5.0 81 81 A F E -b 8 0A 2 -74,-3.1 -72,-2.5 -2,-0.4 2,-1.7 -0.878 6.4-164.7-111.1 95.8 102.8 13.6 6.3 82 82 A P E -b 9 0A 0 0, 0.0 2,-1.9 0, 0.0 -72,-0.1 -0.610 8.4-178.5 -83.4 86.4 103.5 14.1 10.0 83 83 A L E +b 10 0A 0 -74,-1.7 -72,-0.5 -2,-1.7 2,-0.3 -0.486 33.7 131.4 -85.9 67.9 100.1 15.5 11.1 84 84 A L - 0 0 1 -2,-1.9 2,-0.3 5,-0.3 -72,-0.1 -0.927 46.3-138.1-120.4 144.6 101.2 16.0 14.7 85 85 A H - 0 0 4 -74,-0.5 -71,-0.3 -2,-0.3 -69,-0.2 -0.791 49.6 -26.7-111.5 149.3 100.6 19.2 16.7 86 86 A G S >>>S+ 0 0 3 -2,-0.3 4,-3.1 203,-0.2 3,-1.4 -0.213 111.5 28.9 61.1-141.4 102.8 21.1 19.2 87 87 A R T 345S+ 0 0 108 1,-0.3 -73,-0.4 2,-0.2 -74,-0.2 -0.289 135.4 8.6 -54.4 133.4 105.5 19.6 21.2 88 88 A F T 345S+ 0 0 114 1,-0.1 -1,-0.3 -75,-0.1 -75,-0.3 0.842 133.5 55.1 59.1 36.8 107.0 16.6 19.4 89 89 A G T <45S+ 0 0 0 -3,-1.4 -5,-0.3 -5,-0.1 -2,-0.2 0.287 117.1 17.2-155.4 -58.8 105.0 17.5 16.3 90 90 A E T <5S+ 0 0 10 -4,-3.1 27,-0.2 1,-0.1 -3,-0.2 0.338 105.1 85.3-107.8 2.9 105.5 21.0 15.1 91 91 A D S S+ 0 0 6 -3,-0.2 4,-2.3 21,-0.1 5,-0.1 0.276 94.7 105.6 93.5 -12.0 111.3 20.2 14.5 93 93 A T H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.974 87.2 36.5 -65.9 -56.2 112.0 17.0 16.4 94 94 A V H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 116.2 56.1 -63.9 -38.6 110.0 14.7 14.1 95 95 A Q H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 106.2 50.7 -59.2 -43.3 111.2 16.7 11.2 96 96 A G H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.899 109.6 50.4 -60.2 -42.9 114.8 16.1 12.3 97 97 A F H X S+ 0 0 45 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.948 110.7 48.4 -59.6 -51.6 114.2 12.4 12.5 98 98 A L H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.5 0.855 107.9 55.7 -60.1 -35.6 112.7 12.3 9.0 99 99 A E H ><5S+ 0 0 103 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.929 106.0 50.5 -62.7 -44.6 115.6 14.3 7.6 100 100 A L H 3<5S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.6 53.9 -62.7 -27.6 118.0 11.7 9.0 101 101 A L H 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.565 110.6-126.3 -82.2 -9.5 115.8 9.1 7.3 102 102 A G T <<5 + 0 0 58 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.789 60.3 146.1 69.2 26.7 116.2 10.9 4.0 103 103 A K < - 0 0 37 -5,-2.2 -1,-0.2 -24,-0.0 -2,-0.1 -0.829 50.2-128.4-102.7 128.1 112.4 11.0 3.7 104 104 A P - 0 0 41 0, 0.0 -24,-2.3 0, 0.0 2,-0.3 -0.482 36.2-172.0 -69.4 143.3 110.6 13.9 2.1 105 105 A Y B -e 80 0A 18 215,-0.3 -24,-0.2 -26,-0.2 2,-0.1 -0.957 25.3 -97.6-139.2 158.2 107.8 15.2 4.4 106 106 A V S S+ 0 0 1 -26,-2.5 211,-0.1 -2,-0.3 162,-0.1 -0.434 78.8 1.5 -72.9 142.5 104.9 17.6 4.4 107 107 A G S S+ 0 0 4 209,-0.3 161,-0.2 -2,-0.1 -2,-0.2 -0.201 99.3 3.5 86.6-171.1 105.4 21.1 5.9 108 108 A A - 0 0 1 161,-0.3 158,-0.1 180,-0.3 -16,-0.1 -0.136 64.4-122.9 -58.8 144.8 108.0 23.2 7.5 109 109 A G > - 0 0 17 156,-0.3 4,-2.0 4,-0.0 5,-0.2 0.057 41.3 -81.9 -73.3-171.2 111.6 22.0 7.8 110 110 A V H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.952 125.2 45.3 -62.7 -52.3 113.5 21.8 11.1 111 111 A A H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 116.6 43.9 -57.8 -53.1 114.6 25.4 11.4 112 112 A A H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 114.0 51.4 -62.1 -39.1 111.2 26.9 10.6 113 113 A S H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.962 113.0 43.1 -64.2 -51.2 109.3 24.4 12.7 114 114 A A H X S+ 0 0 44 -4,-2.5 4,-0.6 -5,-0.2 3,-0.2 0.907 115.9 50.0 -61.0 -42.0 111.4 25.0 15.8 115 115 A L H >< S+ 0 0 45 -4,-2.5 3,-1.8 -5,-0.3 7,-0.5 0.961 107.9 50.7 -62.4 -52.6 111.4 28.8 15.3 116 116 A C H 3< S+ 0 0 15 -4,-2.6 170,-0.4 1,-0.3 -1,-0.2 0.747 108.3 54.5 -59.8 -23.7 107.6 29.0 14.8 117 117 A M H 3< S+ 0 0 21 -4,-1.3 2,-0.8 -3,-0.2 -1,-0.3 0.606 92.6 80.0 -85.9 -12.1 107.1 27.1 18.0 118 118 A D S+ 0 0 30 39,-2.6 4,-0.9 -2,-0.8 -1,-0.2 0.786 88.1 45.5 -62.5 -30.4 107.1 32.5 20.9 120 120 A D H > S+ 0 0 4 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.970 115.3 40.8 -78.1 -59.2 110.2 34.6 21.8 121 121 A L H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 114.1 53.5 -59.1 -40.8 112.5 33.8 18.9 122 122 A S H X S+ 0 0 13 -4,-2.1 4,-2.4 -7,-0.5 -1,-0.2 0.924 109.6 48.2 -61.6 -44.1 109.8 33.9 16.3 123 123 A K H X S+ 0 0 7 -4,-0.9 4,-2.9 -5,-0.3 5,-0.2 0.863 108.2 55.0 -64.3 -36.5 108.7 37.4 17.4 124 124 A R H X S+ 0 0 134 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.911 110.9 44.7 -63.0 -42.9 112.3 38.6 17.4 125 125 A V H X S+ 0 0 47 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.924 115.2 47.8 -66.9 -44.1 112.7 37.6 13.8 126 126 A L H <>S+ 0 0 4 -4,-2.4 5,-2.8 2,-0.2 4,-0.3 0.897 112.1 48.3 -64.3 -42.3 109.4 39.0 12.8 127 127 A A H ><5S+ 0 0 49 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.892 109.5 54.4 -65.3 -39.0 110.0 42.3 14.5 128 128 A Q H 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.2 49.6 -60.3 -38.9 113.4 42.5 12.9 129 129 A A T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.432 123.1-104.6 -81.7 0.1 111.7 42.1 9.5 130 130 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.556 71.9 143.2 89.9 7.9 109.2 44.8 10.2 131 131 A V < - 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