==== 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 TRANSFERASE(ACYLTRANSFERASE) 19-JUL-93 1CIA . COMPND 2 MOLECULE: CHLORAMPHENICOL ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.G.W.LESLIE,M.R.GIBBS . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.9 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 2 2 0 1 0 0 1 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 1 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 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 M 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.6 23.9 25.0 7.3 2 7 A N + 0 0 71 78,-0.0 79,-2.6 2,-0.0 80,-0.6 -0.090 360.0 51.9 -82.6 26.7 22.3 23.7 10.5 3 8 A Y E -A 80 0A 52 77,-0.3 2,-0.4 78,-0.1 77,-0.3 -0.928 69.4-138.3-148.2 172.2 22.6 19.9 9.8 4 9 A T E -A 79 0A 77 75,-2.1 75,-2.0 -2,-0.3 2,-0.3 -0.988 26.1-110.8-139.8 142.2 25.6 17.6 8.9 5 10 A K E -A 78 0A 79 -2,-0.4 2,-0.3 73,-0.2 73,-0.3 -0.612 39.7-127.3 -72.8 136.0 25.6 14.8 6.4 6 11 A F - 0 0 55 71,-3.6 2,-1.5 -2,-0.3 71,-0.3 -0.675 11.3-120.3 -86.3 142.7 26.0 11.5 8.3 7 12 A D + 0 0 94 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.582 38.8 167.7 -83.0 84.2 28.7 8.9 7.5 8 13 A V > + 0 0 45 -2,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.895 69.5 65.6 -65.3 -36.0 26.5 5.9 6.7 9 14 A K T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -3,-0.2 5,-0.1 0.852 111.3 31.9 -57.4 -42.2 29.4 4.1 5.2 10 15 A N T 3 S+ 0 0 94 -3,-0.4 2,-0.4 4,-0.0 -1,-0.3 0.101 91.8 123.2-103.3 23.7 31.3 3.8 8.4 11 16 A W X - 0 0 38 -3,-2.0 3,-1.9 1,-0.2 4,-0.2 -0.710 60.2-141.4 -88.8 142.1 28.3 3.6 10.8 12 17 A V T 3 S+ 0 0 137 -2,-0.4 3,-0.3 1,-0.3 4,-0.2 0.744 106.1 52.1 -67.1 -20.3 28.0 0.6 13.1 13 18 A R T 3> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.240 74.0 114.9 -94.9 14.5 24.2 0.7 12.3 14 19 A R H <> S+ 0 0 69 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 0.887 79.7 41.6 -54.6 -37.7 24.6 0.7 8.5 15 20 A E H > S+ 0 0 159 -3,-0.3 4,-2.8 -4,-0.2 -1,-0.2 0.941 114.1 52.4 -75.8 -38.9 23.0 -2.7 8.0 16 21 A H H > S+ 0 0 78 -4,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 107.6 53.2 -55.1 -46.5 20.2 -2.0 10.5 17 22 A F H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 5,-0.2 0.955 112.8 41.3 -59.5 -53.3 19.4 1.2 8.7 18 23 A E H X>S+ 0 0 99 -4,-2.0 4,-2.4 -5,-0.2 5,-1.5 0.906 115.7 51.6 -65.6 -40.7 19.0 -0.4 5.3 19 24 A F H X>S+ 0 0 84 -4,-2.8 5,-3.7 -5,-0.2 4,-0.6 0.972 116.8 37.8 -56.4 -54.1 17.1 -3.3 6.8 20 25 A Y H <5S+ 0 0 58 -4,-2.9 6,-1.0 1,-0.2 170,-0.4 0.599 118.2 50.6 -79.7 -13.4 14.6 -1.2 8.7 21 26 A R H <5S- 0 0 41 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.849 132.8 -1.9 -87.1 -44.5 14.3 1.4 6.1 22 27 A H H <5S+ 0 0 102 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.706 128.3 48.9-127.9 -30.6 13.6 -0.7 3.0 23 28 A R T < + 0 0 0 143,-2.4 4,-1.5 -2,-0.8 5,-0.2 0.074 44.2 112.8-110.5 27.7 7.7 13.7 38.2 37 42 A T H > S+ 0 0 54 142,-0.6 4,-1.6 2,-0.2 3,-0.4 0.951 82.2 43.0 -59.2 -50.5 7.6 13.8 42.0 38 43 A T H > S+ 0 0 68 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.937 112.8 51.9 -63.4 -49.3 10.8 15.9 42.1 39 44 A L H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.716 103.2 58.1 -56.5 -33.3 9.8 18.2 39.2 40 45 A K H X S+ 0 0 63 -4,-1.5 4,-2.5 -3,-0.4 -1,-0.2 0.946 108.2 48.4 -64.2 -43.4 6.4 19.0 40.8 41 46 A K H X S+ 0 0 54 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.976 111.2 48.4 -58.8 -56.8 8.4 20.3 43.8 42 47 A S H < S+ 0 0 32 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.919 111.5 49.7 -50.1 -45.0 10.7 22.3 41.6 43 48 A L H >< S+ 0 0 13 -4,-2.2 3,-1.2 1,-0.3 5,-0.3 0.913 105.8 57.5 -64.8 -38.1 7.8 23.8 39.7 44 49 A D H 3< S+ 0 0 107 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.789 103.5 54.5 -59.9 -32.6 6.2 24.7 43.0 45 50 A D T 3< S+ 0 0 112 -4,-1.8 -1,-0.3 -3,-0.3 2,-0.3 -0.091 115.4 36.9 -92.0 40.0 9.3 26.7 43.9 46 51 A S S < S- 0 0 50 -3,-1.2 -3,-0.0 2,-0.1 0, 0.0 -0.937 84.4-104.4-165.4-173.8 9.0 28.7 40.8 47 52 A A S S+ 0 0 85 -2,-0.3 2,-0.1 2,-0.1 -4,-0.1 0.165 73.7 118.8-109.5 13.2 6.8 30.5 38.3 48 53 A Y - 0 0 39 -5,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.409 58.3-131.1 -78.9 154.9 7.1 27.9 35.5 49 54 A K > - 0 0 141 1,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.780 19.0-117.6-102.6 157.5 4.1 26.1 34.2 50 55 A F H > S+ 0 0 51 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.914 105.1 47.8 -54.5 -58.4 4.1 22.3 33.7 51 56 A Y H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 112.1 47.4 -54.9 -61.3 3.5 21.9 29.9 52 57 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 113.3 50.8 -50.0 -44.0 6.2 24.5 28.8 53 58 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.953 109.6 49.4 -59.8 -50.1 8.7 22.9 31.2 54 59 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.815 111.0 49.6 -58.7 -34.3 7.9 19.3 29.8 55 60 A I H X S+ 0 0 0 -4,-2.3 4,-3.7 -5,-0.2 5,-0.3 0.954 113.6 48.2 -62.7 -49.1 8.4 20.6 26.2 56 61 A Y H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.953 114.3 43.5 -52.2 -63.0 11.7 22.2 27.4 57 62 A L H X S+ 0 0 2 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.864 115.8 48.1 -52.2 -49.7 12.9 19.1 29.1 58 63 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.948 114.3 46.0 -62.0 -49.4 11.8 16.7 26.3 59 64 A A H X S+ 0 0 0 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.852 110.8 54.7 -59.6 -37.0 13.5 19.0 23.6 60 65 A Q H < S+ 0 0 41 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.978 110.5 45.0 -61.0 -48.1 16.6 19.2 25.8 61 66 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-0.4 0.888 112.1 51.0 -61.2 -43.7 16.9 15.4 25.9 62 67 A V H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 6,-0.2 0.883 104.1 59.2 -60.8 -38.7 16.2 15.0 22.2 63 68 A N T 3< S+ 0 0 27 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.455 98.8 60.2 -73.6 0.8 18.9 17.6 21.5 64 69 A Q T < S+ 0 0 75 -3,-1.6 2,-0.5 -4,-0.2 -1,-0.3 0.487 98.9 61.3-101.3 -9.6 21.5 15.5 23.3 65 70 A F X - 0 0 31 -3,-1.5 3,-1.2 -4,-0.4 4,-0.2 -0.964 62.5-156.8-126.5 122.8 21.2 12.4 21.0 66 71 A D G > S+ 0 0 75 -2,-0.5 3,-3.0 1,-0.3 14,-0.2 0.859 91.0 66.0 -59.4 -46.4 21.9 12.3 17.3 67 72 A E G > S+ 0 0 22 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.697 100.6 53.2 -54.5 -19.1 19.7 9.3 16.5 68 73 A L G < S+ 0 0 5 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.486 106.9 53.2 -93.6 -2.4 16.7 11.5 17.5 69 74 A R G < S+ 0 0 18 -3,-3.0 11,-2.9 -4,-0.2 2,-0.2 -0.017 81.4 123.4-124.9 37.7 17.6 14.2 15.1 70 75 A M E < +B 79 0A 9 -3,-0.5 2,-0.3 93,-0.3 93,-0.3 -0.605 26.3 157.2 -96.7 157.1 18.0 12.3 11.8 71 76 A A E -B 78 0A 18 7,-1.9 7,-2.7 -2,-0.2 2,-0.5 -0.969 41.8-106.7-163.5 169.5 16.3 12.9 8.6 72 77 A I E +B 77 0A 43 89,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.934 37.5 172.4-104.9 127.9 16.6 12.3 4.9 73 78 A K E > S-B 76 0A 45 3,-3.0 3,-2.2 -2,-0.5 -2,-0.1 -0.960 73.6 -8.3-138.8 121.5 17.4 15.5 2.9 74 80 A D T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.898 128.8 -59.0 59.4 45.8 18.2 15.2 -0.8 75 81 A D T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.495 117.9 112.2 65.0 -2.1 18.2 11.4 -0.5 76 82 A E E < S- B 0 73A 115 -3,-2.2 -3,-3.0 -71,-0.0 2,-0.5 -0.770 71.1-116.3-108.5 159.1 21.0 11.8 2.1 77 83 A L E + B 0 72A 8 -2,-0.3 -71,-3.6 -71,-0.3 2,-0.3 -0.739 40.9 175.0 -88.6 125.6 21.0 11.0 5.8 78 84 A I E -AB 5 71A 2 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.4 -0.884 28.4-140.0-130.0 163.0 21.6 14.0 8.0 79 85 A V E -AB 4 70A 6 -75,-2.0 -75,-2.1 -2,-0.3 2,-0.3 -0.982 26.1-130.0-116.8 126.0 21.7 15.0 11.7 80 86 A W E -A 3 0A 13 -11,-2.9 -77,-0.3 -2,-0.4 3,-0.1 -0.695 10.4-134.4 -76.6 141.5 20.2 18.3 12.6 81 87 A D S S- 0 0 91 -79,-2.6 2,-0.3 -2,-0.3 -1,-0.2 0.891 88.4 -14.2 -55.7 -43.4 22.4 20.5 14.8 82 88 A S - 0 0 43 -80,-0.6 2,-0.3 -13,-0.1 -1,-0.2 -0.985 65.3-141.2-160.1 157.7 19.3 21.0 16.8 83 89 A V - 0 0 2 -2,-0.3 55,-0.3 -24,-0.2 -20,-0.1 -0.905 12.9-136.3-123.1 148.6 15.5 20.6 16.6 84 90 A D E -d 138 0B 25 53,-3.4 55,-1.5 -2,-0.3 2,-0.2 -0.822 28.3-107.5-106.7 146.5 12.6 22.7 17.8 85 91 A P E -d 139 0B 0 0, 0.0 17,-1.0 0, 0.0 2,-0.5 -0.438 21.8-161.7 -69.0 139.8 9.6 21.4 19.6 86 92 A Q E +dE 140 101B 10 53,-1.6 55,-2.7 15,-0.2 2,-0.3 -0.999 25.5 179.1-119.2 114.9 6.3 21.3 17.6 87 93 A F E -dE 141 100B 1 13,-3.2 13,-3.2 -2,-0.5 2,-0.3 -0.823 26.4-113.3-124.1 159.3 3.6 21.0 20.3 88 94 A T E - E 0 99B 32 53,-0.7 2,-0.4 -2,-0.3 11,-0.2 -0.688 22.4-162.5 -93.2 147.7 -0.2 20.9 20.3 89 95 A V E - E 0 98B 14 9,-3.0 9,-2.0 -2,-0.3 2,-0.4 -0.995 10.0-144.3-128.5 131.9 -2.4 23.6 21.7 90 96 A F E - E 0 97B 87 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.851 6.7-147.9 -97.7 135.2 -6.0 23.0 22.6 91 97 A H E >> - E 0 96B 4 5,-2.5 4,-1.9 -2,-0.4 5,-0.8 -0.877 3.5-160.7-101.6 117.0 -8.6 25.8 22.0 92 98 A Q T 45S+ 0 0 91 -2,-0.6 -1,-0.2 1,-0.2 5,-0.0 0.892 86.3 56.8 -60.7 -43.8 -11.3 25.7 24.6 93 99 A E T 45S+ 0 0 144 1,-0.2 -1,-0.2 2,-0.1 31,-0.0 0.893 123.0 21.7 -59.6 -48.6 -13.7 27.7 22.6 94 100 A T T 45S- 0 0 67 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.531 94.8-133.6 -97.9 -14.4 -13.8 25.6 19.5 95 101 A E T <5 + 0 0 156 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.913 67.9 117.1 62.2 38.9 -12.6 22.4 21.2 96 102 A T E < -E 91 0B 61 -5,-0.8 -5,-2.5 -7,-0.0 2,-0.3 -0.783 58.2-126.1-125.4 170.1 -10.1 21.8 18.3 97 103 A F E -E 90 0B 114 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.882 14.5-165.0-121.3 165.7 -6.2 21.7 18.4 98 104 A S E -E 89 0B 1 -9,-2.0 -9,-3.0 -2,-0.3 2,-0.5 -0.866 18.8-130.8-135.7 157.5 -3.5 23.6 16.6 99 105 A A E +E 88 0B 8 29,-2.9 32,-0.4 -2,-0.3 2,-0.3 -0.964 29.8 175.7-116.9 130.5 0.2 22.6 16.4 100 106 A L E -E 87 0B 1 -13,-3.2 -13,-3.2 -2,-0.5 2,-0.3 -0.882 12.3-160.5-125.7 165.1 2.8 25.3 17.1 101 107 A S E -E 86 0B 12 -2,-0.3 -15,-0.2 -15,-0.3 37,-0.0 -0.972 5.6-175.9-141.9 155.5 6.6 25.5 17.3 102 108 A C - 0 0 4 -17,-1.0 13,-0.1 -2,-0.3 2,-0.1 -0.963 42.2 -82.9-140.4 158.8 9.1 27.9 18.9 103 109 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.307 42.6-128.1 -61.7 135.2 12.9 27.9 18.8 104 110 A Y - 0 0 35 -2,-0.1 2,-0.3 10,-0.1 -20,-0.0 -0.529 28.0-177.1 -78.2 159.0 14.6 25.7 21.4 105 111 A S - 0 0 26 -2,-0.2 6,-0.1 1,-0.1 -45,-0.1 -0.966 33.2-135.6-154.3 143.6 17.3 27.3 23.6 106 112 A S S S+ 0 0 95 -2,-0.3 2,-0.8 4,-0.1 -1,-0.1 0.598 91.7 85.3 -76.3 -14.6 19.4 25.6 26.3 107 113 A D S > S- 0 0 84 1,-0.1 4,-2.0 106,-0.0 3,-0.5 -0.780 73.3-154.1 -87.0 108.9 18.6 28.6 28.4 108 114 A I H > S+ 0 0 6 -2,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.733 90.5 54.6 -55.5 -31.4 15.3 27.8 30.1 109 115 A D H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 108.7 47.6 -78.6 -32.6 14.3 31.5 30.6 110 116 A Q H > S+ 0 0 63 -3,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.827 109.1 54.5 -70.6 -32.0 14.8 32.3 26.9 111 117 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.964 107.5 50.8 -61.5 -50.0 12.7 29.2 25.9 112 118 A M H X S+ 0 0 17 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.882 109.1 50.7 -57.6 -38.8 9.9 30.5 28.2 113 119 A V H X S+ 0 0 89 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.947 111.0 48.9 -64.9 -50.6 10.1 33.9 26.4 114 120 A N H X S+ 0 0 34 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.899 113.7 46.8 -50.3 -44.8 9.9 32.2 23.1 115 121 A Y H X S+ 0 0 15 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.916 112.6 47.0 -65.1 -50.4 6.9 30.1 24.2 116 122 A L H X S+ 0 0 113 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.959 112.6 52.5 -61.4 -38.9 4.9 33.0 25.7 117 123 A S H X S+ 0 0 75 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.967 111.1 44.3 -63.6 -52.5 5.6 34.9 22.7 118 124 A V H X S+ 0 0 17 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.843 115.9 48.0 -60.4 -34.6 4.3 32.2 20.3 119 125 A M H X S+ 0 0 48 -4,-2.6 4,-1.6 2,-0.2 -1,-0.3 0.848 108.3 55.1 -71.2 -38.0 1.3 31.6 22.5 120 126 A E H >< S+ 0 0 49 -4,-2.9 3,-0.6 1,-0.2 4,-0.3 0.992 112.9 43.2 -56.1 -59.0 0.6 35.4 22.7 121 127 A R H 3< S+ 0 0 106 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.680 127.2 25.1 -66.2 -23.8 0.5 35.6 18.9 122 128 A Y H >< S+ 0 0 53 -4,-1.3 3,-2.1 -5,-0.2 -1,-0.2 0.295 77.0 114.7-130.3 16.2 -1.6 32.5 18.1 123 129 A K T << S+ 0 0 89 -4,-1.6 -2,-0.1 -3,-0.6 -3,-0.1 0.802 91.8 35.8 -52.0 -37.4 -3.8 31.6 21.1 124 130 A S T 3 S+ 0 0 98 -4,-0.3 2,-0.9 -5,-0.1 -1,-0.3 0.162 88.2 110.1-103.4 6.6 -6.9 32.3 19.1 125 131 A D < - 0 0 49 -3,-2.1 -3,-0.0 1,-0.1 -4,-0.0 -0.817 44.2-174.4 -89.5 106.5 -5.7 31.1 15.7 126 132 A T + 0 0 72 -2,-0.9 -1,-0.1 3,-0.1 -29,-0.1 0.399 42.8 120.0 -84.0 9.6 -7.7 27.9 15.1 127 133 A K S S- 0 0 84 1,-0.1 -28,-0.1 -29,-0.1 4,-0.1 -0.342 74.4-121.6 -65.8 160.9 -5.9 27.0 11.9 128 134 A L S S+ 0 0 87 1,-0.3 -29,-2.9 -30,-0.2 -1,-0.1 0.901 109.1 22.6 -72.0 -36.9 -4.2 23.6 12.3 129 135 A F S > S+ 0 0 92 -31,-0.2 3,-2.0 1,-0.1 -1,-0.3 -0.757 73.3 178.0-125.1 76.2 -0.7 25.1 11.5 130 136 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 0.762 80.8 52.5 -51.5 -34.4 -1.2 28.8 12.4 131 137 A Q T 3 S- 0 0 67 -32,-0.4 2,-0.4 1,-0.3 -31,-0.1 0.590 106.8-128.7 -84.0 -10.4 2.5 29.4 11.6 132 138 A G S < S+ 0 0 40 -3,-2.0 -1,-0.3 2,-0.0 2,-0.2 -0.877 74.4 28.3 100.8-135.8 2.4 27.9 8.1 133 139 A V S S- 0 0 145 -2,-0.4 3,-0.1 -3,-0.1 0, 0.0 -0.446 79.9-121.9 -73.9 135.6 5.0 25.3 7.3 134 140 A T - 0 0 35 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.475 35.1-109.3 -64.3 128.4 6.5 23.2 10.2 135 141 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 -0.410 23.7-125.8 -61.4 140.5 10.4 23.7 10.3 136 142 A E S S+ 0 0 115 1,-0.2 2,-1.5 -3,-0.1 -2,-0.1 0.712 101.0 70.8 -61.9 -27.8 12.1 20.5 9.1 137 143 A N S S+ 0 0 24 -52,-0.0 -53,-3.4 -66,-0.0 2,-0.3 -0.638 79.9 123.9 -94.9 75.5 14.2 20.3 12.3 138 144 A H E -d 84 0B 24 -2,-1.5 2,-0.3 -55,-0.3 -37,-0.0 -0.941 48.8-155.6-131.0 163.1 11.3 19.4 14.6 139 145 A L E -d 85 0B 0 -55,-1.5 -53,-1.6 -2,-0.3 2,-0.5 -0.896 30.4-122.1-125.1 157.0 10.3 16.8 17.2 140 146 A N E +df 86 166B 35 25,-2.7 27,-2.7 -2,-0.3 2,-0.3 -0.940 29.1 177.3-109.9 134.3 6.5 16.3 17.9 141 147 A I E +df 87 167B 4 -55,-2.7 -53,-0.7 -2,-0.5 2,-0.3 -0.949 4.1 173.0-127.0 136.9 5.1 16.7 21.4 142 148 A S E - f 0 168B 24 25,-1.2 27,-1.8 -2,-0.3 2,-0.4 -0.931 15.2-149.7-139.8 156.7 1.3 16.3 22.2 143 149 A A E - f 0 169B 20 -2,-0.3 27,-0.2 25,-0.2 3,-0.1 -0.987 14.3-168.6-139.3 138.2 -0.6 16.3 25.5 144 150 A L E > + f 0 170B 43 25,-2.5 3,-1.0 -2,-0.4 27,-0.8 -0.830 21.7 166.6-122.0 75.8 -3.8 14.6 26.6 145 151 A P T 3 + 0 0 69 0, 0.0 27,-0.1 0, 0.0 25,-0.1 0.556 63.2 67.3 -71.9 -14.6 -4.3 16.3 29.9 146 152 A W T 3 S+ 0 0 144 1,-0.1 2,-0.3 25,-0.1 24,-0.1 0.488 105.8 28.5 -86.1 -10.3 -7.9 15.2 30.4 147 153 A V < - 0 0 79 -3,-1.0 24,-2.8 2,-0.0 2,-0.3 -0.994 68.4-129.2-151.5 147.4 -7.2 11.5 30.8 148 154 A N - 0 0 55 -2,-0.3 2,-0.3 22,-0.2 24,-0.1 -0.713 30.8-174.3 -90.1 152.6 -4.5 9.1 32.1 149 155 A F - 0 0 25 22,-0.3 21,-0.1 -2,-0.3 3,-0.1 -0.960 29.8-152.1-143.1 160.8 -3.5 6.3 29.8 150 156 A D S S+ 0 0 111 1,-0.3 2,-0.3 -2,-0.3 -119,-0.1 0.537 87.2 16.0-104.9 -19.3 -1.2 3.2 30.1 151 157 A S - 0 0 89 31,-0.1 2,-0.3 -121,-0.1 -1,-0.3 -0.966 56.3-178.5-153.6 152.2 -0.5 3.1 26.4 152 158 A F + 0 0 58 -2,-0.3 2,-0.4 -3,-0.1 33,-0.1 -0.979 10.9 174.3-143.0 141.3 -0.9 5.3 23.3 153 159 A N - 0 0 71 -2,-0.3 2,-0.6 31,-0.1 33,-0.0 -0.985 23.8-139.0-150.3 142.1 0.0 4.3 19.8 154 160 A L - 0 0 66 -2,-0.4 2,-0.7 2,-0.0 -2,-0.0 -0.931 11.0-152.6 -99.2 124.8 -0.4 6.0 16.5 155 161 A N - 0 0 143 -2,-0.6 2,-0.5 2,-0.0 -2,-0.0 -0.909 20.7-169.8 -93.7 114.6 -1.5 3.8 13.6 156 162 A V - 0 0 69 -2,-0.7 3,-0.2 1,-0.1 -2,-0.0 -0.946 24.5-148.5-110.3 126.9 -0.2 5.5 10.5 157 163 A A S S+ 0 0 113 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.764 89.1 9.5 -61.3 -31.6 -1.1 4.5 7.0 158 164 A N + 0 0 80 1,-0.0 -1,-0.2 2,-0.0 0, 0.0 -0.900 57.9 160.6-150.0 115.3 2.3 5.5 5.5 159 165 A F > + 0 0 85 -2,-0.3 3,-2.2 -3,-0.2 -133,-0.1 0.071 18.9 161.7-122.4 19.0 5.5 6.6 7.5 160 166 A T T 3 S- 0 0 122 1,-0.2 3,-0.1 -135,-0.1 -139,-0.1 -0.359 73.3 -12.6 -43.6 132.1 8.2 6.1 4.9 161 167 A D T 3 S+ 0 0 46 1,-0.1 2,-0.9 -140,-0.1 -89,-0.4 0.456 90.5 134.0 52.8 26.0 11.3 8.0 6.0 162 168 A Y < + 0 0 91 -3,-2.2 -1,-0.1 1,-0.2 -91,-0.1 -0.899 20.7 165.9-105.6 112.6 9.9 10.1 8.7 163 169 A F + 0 0 6 -2,-0.9 -93,-0.3 -93,-0.3 25,-0.2 0.316 30.3 115.3-105.6 -2.4 12.3 9.8 11.5 164 170 A A S S- 0 0 16 -95,-0.1 2,-0.1 1,-0.1 -25,-0.1 -0.601 70.2-115.5 -70.8 139.7 11.3 12.6 13.9 165 171 A P - 0 0 2 0, 0.0 -25,-2.7 0, 0.0 2,-0.5 -0.359 18.3-145.4 -70.6 148.4 10.1 11.1 17.2 166 172 A I E -fG 140 186B 37 20,-1.8 20,-1.7 -27,-0.2 2,-0.4 -0.972 17.2-171.8-113.1 118.9 6.5 11.6 18.3 167 173 A I E -fG 141 185B 1 -27,-2.7 -25,-1.2 -2,-0.5 2,-0.4 -0.967 0.6-171.6-116.5 134.5 6.1 11.9 22.2 168 174 A T E -fG 142 184B 7 16,-1.8 16,-2.9 -2,-0.4 2,-0.4 -0.996 3.8-162.1-128.1 131.1 2.7 12.0 23.8 169 175 A M E -fG 143 183B 4 -27,-1.8 -25,-2.5 -2,-0.4 14,-0.2 -0.920 3.1-162.6-111.5 145.8 1.9 12.7 27.4 170 176 A A E -f 144 0B 7 12,-1.7 -22,-0.2 -2,-0.4 2,-0.2 -0.430 44.9 -64.5-108.1-173.5 -1.3 11.9 29.3 171 177 A K - 0 0 107 -24,-2.8 -22,-0.3 -27,-0.8 -1,-0.2 -0.488 59.6-120.7 -72.4 139.0 -2.6 13.3 32.6 172 178 A Y - 0 0 85 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.284 28.7-155.3 -75.4 175.6 -0.3 12.4 35.4 173 179 A Q E -H 180 0B 34 7,-2.2 7,-2.9 2,-0.0 2,-0.5 -0.996 21.0-115.4-151.2 152.4 -1.4 10.4 38.4 174 180 A Q E -H 179 0B 97 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.770 30.5-179.2 -86.4 120.9 -0.5 9.7 42.1 175 181 A E E > -H 178 0B 54 3,-3.4 3,-2.7 -2,-0.5 -2,-0.0 -0.985 64.4 -57.1-127.5 103.0 0.6 6.1 42.5 176 182 A G T 3 S- 0 0 76 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.257 123.0 -12.5 61.0-126.6 1.3 5.6 46.1 177 183 A D T 3 S+ 0 0 117 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.427 124.3 84.6 -83.0 -1.9 3.9 8.2 47.2 178 184 A R E < - H 0 175B 54 -3,-2.7 -3,-3.4 -141,-0.0 2,-0.6 -0.782 65.7-144.0-112.8 153.4 4.8 9.1 43.6 179 185 A L E - H 0 174B 34 -2,-0.3 -143,-2.4 -5,-0.2 -142,-0.6 -0.974 30.8-169.5-108.2 114.3 3.5 11.3 40.9 180 186 A L E -CH 35 173B 32 -7,-2.9 -7,-2.2 -2,-0.6 -145,-0.2 -0.940 14.3-157.2-110.5 137.2 3.9 9.5 37.6 181 187 A L E -C 34 0B 0 -147,-3.1 -147,-2.3 -2,-0.4 2,-0.3 -0.926 17.9-135.8-112.4 117.1 3.5 10.9 34.0 182 188 A P E -C 33 0B 0 0, 0.0 -12,-1.7 0, 0.0 2,-0.4 -0.504 27.0-175.0 -66.9 131.7 2.7 8.4 31.3 183 189 A L E -CG 32 169B 1 -151,-2.7 -151,-2.5 -2,-0.3 2,-0.4 -0.996 11.7-158.4-136.0 128.6 4.9 9.1 28.2 184 190 A S E -CG 31 168B 2 -16,-2.9 -16,-1.8 -2,-0.4 2,-0.4 -0.885 5.2-166.6-106.6 129.1 4.6 7.4 24.9 185 191 A V E -CG 30 167B 2 -155,-3.0 -155,-2.1 -2,-0.4 2,-0.4 -0.995 2.9-171.8-119.4 132.1 7.6 7.5 22.5 186 192 A Q E +CG 29 166B 29 -20,-1.7 -20,-1.8 -2,-0.4 2,-0.3 -0.991 15.4 165.1-126.4 115.1 7.1 6.4 18.8 187 193 A V E -C 28 0B 11 -159,-3.0 -159,-2.0 -2,-0.4 2,-0.4 -0.886 38.4-108.4-131.0 171.5 10.1 6.0 16.6 188 194 A H E >> -C 27 0B 8 -2,-0.3 4,-2.0 -161,-0.2 3,-0.9 -0.814 23.6-137.7 -94.3 132.1 11.2 4.5 13.3 189 195 A Q T 34 S+ 0 0 29 -163,-2.5 -169,-0.2 -2,-0.4 -162,-0.2 0.680 95.2 74.5 -67.0 -21.2 13.5 1.4 13.5 190 196 A A T 34 S+ 0 0 0 -164,-0.5 -1,-0.2 -170,-0.4 -169,-0.2 0.904 116.4 17.1 -56.7 -38.1 15.8 2.6 10.7 191 197 A V T <4 S+ 0 0 1 -3,-0.9 2,-0.4 1,-0.2 -2,-0.2 0.742 124.5 52.4-105.6 -25.5 17.3 5.2 13.1 192 198 A C < - 0 0 2 -4,-2.0 -1,-0.2 -124,-0.1 2,-0.2 -0.971 53.5-170.6-130.8 133.0 16.4 4.1 16.6 193 199 A D > - 0 0 39 -2,-0.4 4,-1.7 -3,-0.1 5,-0.2 -0.438 47.2 -95.4-103.6 177.3 16.6 0.9 18.6 194 200 A G H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 125.3 59.4 -62.4 -39.8 15.1 -0.0 21.9 195 201 A F H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 104.0 48.5 -52.6 -54.8 18.4 1.0 23.5 196 202 A H H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 112.0 47.7 -57.2 -44.1 18.1 4.6 22.1 197 203 A V H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.908 113.0 48.9 -65.3 -41.8 14.6 5.1 23.3 198 204 A A H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.870 110.1 51.4 -66.5 -36.5 15.4 3.7 26.7 199 205 A R H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 109.3 51.1 -67.9 -39.8 18.5 6.0 26.9 200 206 A F H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.955 113.4 44.8 -59.3 -52.4 16.2 9.0 25.9 201 207 A I H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.911 112.5 49.6 -58.8 -47.7 13.7 8.1 28.8 202 208 A N H X S+ 0 0 113 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.938 114.1 47.9 -62.0 -40.3 16.4 7.5 31.4 203 209 A R H X S+ 0 0 82 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.888 110.2 50.8 -64.9 -45.7 17.9 10.9 30.4 204 210 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.906 109.5 50.7 -57.4 -44.6 14.5 12.6 30.6 205 211 A Q H X S+ 0 0 44 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.910 109.0 51.6 -58.7 -42.8 13.9 11.2 34.0 206 212 A E H < S+ 0 0 41 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.955 109.3 50.8 -56.1 -49.6 17.4 12.4 35.2 207 213 A L H >< S+ 0 0 14 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.904 107.9 52.5 -57.3 -44.9 16.4 15.9 33.8 208 214 A C H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.723 107.8 52.7 -63.1 -28.1 13.2 15.8 35.7 209 215 A N T 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.4 2,-0.2 0.377 102.0 78.6 -91.0 17.2 15.1 15.0 38.9 210 216 A S S < S- 0 0 60 -3,-1.8 -168,-0.1 -4,-0.1 2,-0.0 -0.693 90.7 -82.7-124.2 167.8 17.5 18.0 38.5 211 217 A K - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.347 32.4-137.5 -66.8 151.1 17.4 21.7 39.1 212 218 A L 0 0 28 1,-0.3 -104,-0.2 -4,-0.1 -1,-0.1 0.861 360.0 360.0 -77.3 -42.5 15.8 23.7 36.3 213 219 A K 0 0 154 -106,-0.1 -1,-0.3 -105,-0.1 -106,-0.0 -0.972 360.0 360.0-140.4 360.0 18.4 26.5 36.4