==== 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 TRANSCRIPTION REGULATOR 19-MAY-09 3HIF . COMPND 2 MOLECULE: CATABOLITE GENE ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.A.STEITZ,H.SHARMA,J.WANG,J.KONG,S.YU . 1194 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 869 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 251 21.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 3 0.3 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 . 97 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 3 1 0 1 8 0 5 0 0 6 1 1 0 3 7 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 11 9 15 10 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 18 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 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 7 A T 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.1 -9.0 5.8 54.2 2 8 A D >> - 0 0 45 1,-0.1 3,-2.8 2,-0.0 4,-0.9 -0.392 360.0-171.0-156.8 71.1 -10.5 6.5 50.8 3 9 A P H >> S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.694 88.0 45.9 -32.6 -50.9 -9.9 10.0 49.4 4 10 A T H 3> S+ 0 0 20 1,-0.3 4,-0.8 2,-0.2 102,-0.1 0.696 118.9 45.9 -75.0 -18.9 -12.2 9.9 46.3 5 11 A L H <4 S+ 0 0 31 -3,-2.8 -1,-0.3 2,-0.1 0, 0.0 0.472 109.7 56.2 -97.5 -6.8 -14.8 8.3 48.6 6 12 A E H X S+ 0 0 61 -4,-1.9 3,-2.9 1,-0.2 2,-1.2 0.954 110.7 61.6 -74.7 -73.8 -14.8 14.0 49.2 8 14 A F H 3< S+ 0 0 12 -4,-0.8 -1,-0.2 1,-0.3 4,-0.0 -0.288 105.1 46.7 -49.6 89.8 -17.7 12.2 47.5 9 15 A L H 34 S+ 0 0 39 -2,-1.2 3,-0.4 -3,-0.1 -1,-0.3 -0.229 100.7 61.9 159.9 -49.8 -19.5 11.8 50.8 10 16 A S H << S+ 0 0 83 -3,-2.9 2,-0.6 -4,-0.8 -2,-0.2 0.669 99.1 65.3 -63.5 -19.8 -19.1 15.4 52.0 11 17 A H S < S+ 0 0 72 -4,-0.9 -1,-0.2 2,-0.0 2,-0.2 -0.482 105.1 31.8-105.2 60.8 -21.1 16.2 48.9 12 18 A C S S- 0 0 17 -2,-0.6 2,-0.5 -3,-0.4 79,-0.2 -0.804 87.2 -82.3 160.5 159.2 -24.4 14.6 49.8 13 19 A H E -A 90 0A 89 77,-1.2 77,-1.9 -2,-0.2 2,-0.5 -0.684 32.8-153.9 -90.6 122.4 -26.8 13.6 52.6 14 20 A I E -A 89 0A 75 -2,-0.5 2,-0.4 75,-0.2 75,-0.3 -0.825 15.4-165.3 -96.0 129.1 -26.1 10.5 54.6 15 21 A H E -A 88 0A 8 73,-2.1 73,-3.1 -2,-0.5 2,-0.3 -0.916 14.9-135.9-119.8 140.0 -29.2 8.9 56.2 16 22 A K E -A 87 0A 87 836,-0.8 71,-0.2 -2,-0.4 69,-0.0 -0.689 20.9-164.3 -87.7 145.2 -29.6 6.3 58.9 17 23 A Y E -A 86 0A 14 69,-1.8 69,-1.8 -2,-0.3 2,-0.1 -0.966 13.5-139.1-137.1 119.3 -32.2 3.5 58.3 18 24 A P > - 0 0 58 0, 0.0 3,-1.6 0, 0.0 64,-0.3 -0.487 46.4 -85.7 -70.3 144.2 -33.6 1.1 60.9 19 25 A S T 3 S+ 0 0 48 1,-0.3 64,-0.2 -2,-0.1 65,-0.2 -0.147 114.2 23.4 -52.7 142.4 -34.0 -2.4 59.6 20 26 A K T 3 S+ 0 0 138 62,-4.8 2,-0.6 1,-0.3 -1,-0.3 0.513 90.0 127.1 78.2 5.9 -37.3 -3.2 57.7 21 27 A S < - 0 0 31 -3,-1.6 61,-1.3 61,-0.3 -1,-0.3 -0.858 61.8-122.4 -96.0 124.7 -37.7 0.5 56.8 22 28 A T E -D 81 0B 48 -2,-0.6 59,-0.3 59,-0.2 3,-0.1 -0.376 27.2-178.9 -68.6 138.9 -38.2 1.1 53.1 23 29 A L E S+ 0 0 8 57,-1.6 2,-0.5 1,-0.3 58,-0.2 0.835 72.2 28.5 -98.4 -54.3 -35.8 3.4 51.2 24 30 A I E S-D 80 0B 5 56,-0.6 56,-2.1 0, 0.0 -1,-0.3 -0.944 70.6-160.5-116.3 129.7 -37.2 3.3 47.7 25 31 A H > - 0 0 94 -2,-0.5 3,-1.0 54,-0.2 51,-0.1 -0.539 32.5 -86.1 -99.0 168.1 -40.9 2.7 46.8 26 32 A Q T 3 S+ 0 0 106 1,-0.2 51,-0.1 -2,-0.2 -1,-0.1 -0.404 108.8 21.7 -70.7 150.0 -42.4 1.6 43.5 27 33 A G T 3 S+ 0 0 42 -2,-0.1 -1,-0.2 47,-0.1 48,-0.2 0.586 86.7 153.1 71.7 10.1 -43.2 4.2 40.9 28 34 A E < - 0 0 63 -3,-1.0 47,-0.1 48,-0.2 -2,-0.1 0.612 52.8-110.0 -39.9 -50.4 -40.8 6.7 42.3 29 35 A K - 0 0 66 796,-0.0 2,-0.6 1,-0.0 45,-0.1 0.683 36.6-122.5 106.0 91.5 -39.2 9.3 40.1 30 36 A A + 0 0 8 43,-0.6 43,-0.2 1,-0.2 3,-0.1 -0.538 62.7 129.2 -75.2 112.5 -35.5 8.4 39.7 31 37 A E + 0 0 24 -2,-0.6 62,-1.2 1,-0.5 2,-0.3 0.094 57.1 79.8-145.9 18.5 -33.2 11.2 40.9 32 38 A T - 0 0 19 60,-0.2 -1,-0.5 33,-0.1 2,-0.2 -0.835 43.2-174.6-173.0 141.2 -31.0 9.2 43.2 33 39 A L - 0 0 2 58,-0.3 58,-1.9 -2,-0.3 2,-0.3 -0.533 22.1-156.7 84.9 74.0 -28.6 7.4 43.4 34 40 A Y E -B 90 0A 6 30,-0.3 30,-2.3 56,-0.2 2,-0.4 -0.886 3.8-153.7-119.1 152.5 -27.7 6.0 46.9 35 41 A Y E -BC 89 63A 31 54,-4.0 54,-2.5 -2,-0.3 2,-0.8 -0.976 17.4-134.6-128.4 118.1 -24.4 4.7 48.2 36 42 A I E +BC 88 62A 0 26,-2.8 25,-3.1 -2,-0.4 26,-0.6 -0.595 24.4 177.6 -74.5 108.7 -24.5 2.2 51.1 37 43 A V E S+ 0 0 38 50,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.804 71.1 0.1 -78.7 -30.9 -21.9 3.4 53.5 38 44 A K E S+B 87 0A 121 49,-1.4 49,-1.6 -3,-0.1 -1,-0.3 -0.938 109.3 13.2-163.4 132.1 -22.6 0.6 56.0 39 45 A G S S- 0 0 24 -2,-0.3 21,-1.3 47,-0.2 2,-0.3 -0.719 75.9 -74.7 106.4-153.2 -25.0 -2.3 56.2 40 46 A S E -E 59 0B 19 -2,-0.3 44,-1.0 19,-0.2 43,-0.9 -0.995 29.2-163.2-153.0 151.3 -27.2 -4.1 53.7 41 47 A V E -EF 58 82B 1 17,-2.8 17,-1.1 -2,-0.3 2,-0.4 -0.815 15.3-130.4-130.6 171.6 -30.5 -3.6 51.8 42 48 A A E - F 0 81B 6 39,-3.0 39,-1.5 -2,-0.3 2,-1.1 -0.981 8.0-143.0-132.8 123.7 -32.9 -5.8 49.9 43 49 A V + 0 0 26 -2,-0.4 13,-0.7 37,-0.2 12,-0.3 -0.717 35.2 175.8 -84.2 99.8 -34.4 -5.1 46.4 44 50 A L - 0 0 12 -2,-1.1 2,-0.3 10,-0.2 10,-0.2 -0.186 17.4-169.5 -95.0-170.1 -38.0 -6.4 46.6 45 51 A I - 0 0 32 8,-0.4 2,-0.5 7,-0.2 34,-0.1 -0.888 25.1-123.5-173.5 150.6 -40.9 -6.3 44.2 46 52 A K - 0 0 127 -2,-0.3 3,-0.1 32,-0.2 4,-0.1 -0.960 37.7-157.4-109.9 128.6 -44.5 -7.2 44.8 47 53 A D - 0 0 42 -2,-0.5 2,-0.1 1,-0.2 5,-0.1 0.066 40.0 -38.6 -89.0-163.7 -45.7 -9.9 42.5 48 54 A E S S- 0 0 118 2,-0.1 2,-0.7 3,-0.1 -1,-0.2 -0.477 131.2 -11.9 -54.2 126.5 -48.9 -11.3 41.0 49 55 A E S S- 0 0 153 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.647 124.4 -55.0 73.6-112.6 -51.2 -10.9 44.0 50 56 A G S S+ 0 0 16 -2,-0.7 -4,-0.1 -4,-0.1 -2,-0.1 -0.953 74.3 123.4-153.9 165.8 -48.7 -10.1 46.9 51 57 A K - 0 0 137 -2,-0.3 3,-0.2 -4,-0.1 -5,-0.1 0.448 60.6-123.5 150.8 8.7 -45.6 -11.7 48.3 52 58 A E - 0 0 69 1,-0.2 -7,-0.2 -5,-0.1 -6,-0.2 0.713 33.4-160.6 32.2 48.5 -42.7 -9.3 48.2 53 59 A M - 0 0 45 -9,-0.1 -8,-0.4 2,-0.1 -1,-0.2 -0.016 19.8-125.1 -58.6 129.6 -40.7 -11.8 46.3 54 60 A I - 0 0 57 -10,-0.2 -10,-0.2 -3,-0.2 3,-0.1 0.080 27.5-172.6 -67.7-174.9 -37.2 -10.6 46.9 55 61 A L - 0 0 55 1,-0.4 2,-0.2 -12,-0.3 -11,-0.2 0.448 54.0 -17.7-150.6 -40.8 -34.7 -9.7 44.1 56 62 A S - 0 0 37 -13,-0.7 -1,-0.4 2,-0.0 2,-0.2 -0.817 45.7-122.1-156.9-165.7 -31.3 -8.9 45.5 57 63 A Y - 0 0 41 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.2 -0.731 22.4-171.3-159.7 100.4 -29.0 -8.0 48.4 58 64 A L E -E 41 0B 34 -17,-1.1 -17,-2.8 -2,-0.2 2,-0.2 -0.813 11.7-176.2-101.6 138.6 -26.8 -4.9 48.2 59 65 A N E > -E 40 0B 74 -2,-0.4 3,-0.5 -19,-0.2 -23,-0.3 -0.561 40.5 -39.3-120.6-177.0 -24.1 -4.2 50.9 60 66 A Q T 3 S+ 0 0 132 -21,-1.3 -1,-0.2 1,-0.2 -23,-0.2 -0.129 123.8 32.9 -40.9 132.4 -21.6 -1.7 52.0 61 67 A G T 3 S+ 0 0 30 -25,-3.1 2,-0.4 1,-0.3 -1,-0.2 0.746 94.1 127.3 86.3 26.4 -19.8 -0.1 49.0 62 68 A D E < -C 36 0A 17 -26,-0.6 -26,-2.8 -3,-0.5 -1,-0.3 -0.914 50.0-143.5-120.6 142.9 -22.9 -0.3 46.7 63 69 A F E -C 35 0A 7 -2,-0.4 2,-0.3 -28,-0.2 -28,-0.2 -0.716 20.1-138.7 -95.0 153.8 -24.7 2.2 44.6 64 70 A I S S- 0 0 11 -30,-2.3 -30,-0.3 -2,-0.3 -31,-0.1 -0.773 70.9 -7.1-112.3 158.8 -28.5 2.1 44.2 65 71 A G S S+ 0 0 20 -2,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.776 71.2 160.6 18.4 69.9 -30.6 2.6 41.1 66 72 A E > + 0 0 8 -3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.577 64.6 70.2 -85.6 -12.2 -27.6 3.6 39.1 67 73 A L T 4 S+ 0 0 26 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.809 91.0 58.3 -73.8 -31.8 -29.6 2.8 36.0 68 74 A G T 4 S+ 0 0 5 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.856 88.3 74.1 -65.9 -36.4 -31.8 5.9 36.6 69 75 A L T 4 S+ 0 0 4 -4,-0.5 2,-0.3 3,-0.0 -1,-0.2 0.894 96.0 54.7 -44.5 -50.4 -28.9 8.3 36.5 70 76 A F S < S+ 0 0 31 -4,-0.6 23,-0.0 -3,-0.4 0, 0.0 -0.696 101.9 30.1 -90.4 138.8 -28.7 7.9 32.8 71 77 A E S S- 0 0 104 -2,-0.3 -1,-0.0 2,-0.0 0, 0.0 0.750 88.1-103.2 82.3 110.5 -31.7 8.5 30.6 72 78 A E S S+ 0 0 153 1,-0.1 2,-0.6 2,-0.0 -2,-0.1 -0.224 90.4 26.2 -61.2 151.0 -34.3 11.0 31.7 73 79 A G + 0 0 46 -43,-0.2 -43,-0.6 1,-0.1 -1,-0.1 -0.876 62.2 138.9 103.8-117.4 -37.6 9.7 33.1 74 80 A Q + 0 0 47 -2,-0.6 2,-0.8 -45,-0.1 -46,-0.1 0.327 19.6 173.8 50.6 14.7 -37.5 6.3 34.8 75 81 A E - 0 0 84 1,-0.2 -1,-0.1 -48,-0.2 -49,-0.1 -0.906 40.6-134.2-100.0 114.1 -39.5 6.1 38.0 76 82 A R - 0 0 31 -2,-0.8 -48,-0.2 1,-0.1 -1,-0.2 -0.956 39.2-137.8 161.5 25.0 -39.3 3.6 38.5 77 83 A S + 0 0 90 -51,-0.1 2,-0.3 -50,-0.1 -1,-0.1 0.289 66.5 80.3 -31.1 158.8 -40.4 0.1 39.4 78 84 A A - 0 0 34 -32,-0.1 2,-0.3 -3,-0.1 -32,-0.2 -0.923 64.3-132.5 129.3-157.9 -38.2 -1.9 41.7 79 85 A W - 0 0 58 -2,-0.3 2,-0.3 -34,-0.1 -54,-0.2 -0.877 12.1-156.1 175.7 159.6 -38.2 -1.6 45.4 80 86 A V E +D 24 0B 9 -56,-2.1 -57,-1.6 -2,-0.3 -56,-0.6 -0.969 13.0 166.0-154.0 136.8 -35.9 -1.2 48.3 81 87 A R E -DF 22 42B 64 -39,-1.5 -39,-3.0 -2,-0.3 2,-0.6 -0.954 38.9-107.6-141.9 158.9 -35.9 -1.9 52.1 82 88 A A E - F 0 41B 0 -61,-1.3 -62,-4.8 -2,-0.3 -61,-0.3 -0.818 21.9-171.1 -93.3 119.2 -33.2 -2.1 54.7 83 89 A K S S+ 0 0 79 -43,-0.9 2,-0.2 -2,-0.6 -1,-0.2 0.987 80.0 16.3 -67.0 -61.7 -32.5 -5.6 55.9 84 90 A T S S- 0 0 63 -44,-1.0 2,-0.6 -65,-0.2 -44,-0.2 -0.579 107.3 -78.3-101.0 170.4 -30.3 -4.4 58.8 85 91 A A + 0 0 71 -2,-0.2 2,-0.3 -66,-0.1 -1,-0.1 -0.608 68.4 174.1 -68.9 115.2 -30.0 -0.9 60.2 86 92 A C E -A 17 0A 2 -69,-1.8 -69,-1.8 -2,-0.6 2,-0.5 -0.907 36.2-128.0-134.0 155.2 -27.8 0.8 57.6 87 93 A E E -AB 16 38A 64 -49,-1.6 -50,-2.0 -2,-0.3 -49,-1.4 -0.897 27.9-172.3-103.5 121.9 -26.4 4.2 56.7 88 94 A V E -AB 15 36A 0 -73,-3.1 -73,-2.1 -2,-0.5 2,-0.3 -0.942 11.2-154.8-124.4 114.8 -27.1 5.3 53.1 89 95 A A E -AB 14 35A 2 -54,-2.5 -54,-4.0 -2,-0.5 2,-0.3 -0.624 19.4-172.9 -81.7 142.5 -25.5 8.4 51.4 90 96 A E E -AB 13 34A 5 -77,-1.9 -77,-1.2 -2,-0.3 2,-0.3 -0.993 11.8-175.9-142.2 148.2 -27.5 9.8 48.5 91 97 A I - 0 0 8 -58,-1.9 -58,-0.3 -2,-0.3 -79,-0.1 -0.998 33.9-102.2-144.3 141.4 -27.0 12.6 45.9 92 98 A S > - 0 0 10 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.332 31.8-122.3 -62.2 141.9 -29.2 14.1 43.2 93 99 A Y H > S+ 0 0 13 -62,-1.2 4,-2.9 1,-0.2 5,-0.2 0.906 110.9 51.3 -50.6 -46.2 -28.4 12.8 39.7 94 100 A K H > S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.878 109.7 47.1 -66.6 -38.7 -27.8 16.4 38.5 95 101 A K H >> S+ 0 0 20 735,-0.4 4,-2.3 2,-0.2 3,-0.8 0.924 113.0 50.5 -66.5 -42.5 -25.3 17.3 41.2 96 102 A F H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -2,-0.2 0.942 104.5 57.4 -56.7 -48.0 -23.6 14.0 40.7 97 103 A R H 3< S+ 0 0 77 -4,-2.9 4,-0.5 1,-0.2 -1,-0.3 0.744 108.9 47.6 -56.0 -23.9 -23.4 14.8 36.9 98 104 A Q H XX S+ 0 0 59 -4,-0.8 4,-1.5 -3,-0.8 3,-0.7 0.856 108.2 52.5 -83.9 -40.7 -21.6 17.9 38.0 99 105 A L H 3X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.889 97.1 68.1 -60.2 -39.9 -19.2 16.1 40.3 100 106 A I H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.884 104.5 44.3 -45.9 -41.1 -18.3 13.8 37.4 101 107 A Q H <4 S+ 0 0 115 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.896 110.6 53.8 -72.1 -41.5 -16.7 16.8 35.8 102 108 A V H < S- 0 0 100 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.950 136.9 -9.2 -57.5 -55.2 -15.0 17.9 39.1 103 109 A N >< - 0 0 51 -4,-2.6 3,-1.2 -99,-0.0 -1,-0.3 -0.763 62.5-162.0-151.3 99.9 -13.3 14.6 39.7 104 110 A P T >> S+ 0 0 5 0, 0.0 3,-1.2 0, 0.0 4,-1.2 0.522 70.3 96.8 -65.4 -6.8 -14.3 11.7 37.4 105 111 A D H >> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.864 80.7 54.3 -51.5 -40.8 -12.9 9.1 39.9 106 112 A I H <> S+ 0 0 5 -3,-1.2 4,-1.2 1,-0.3 -1,-0.3 0.793 101.4 57.8 -68.1 -27.7 -16.3 8.5 41.4 107 113 A L H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.2 -1,-0.3 0.775 101.7 59.9 -69.8 -25.9 -17.8 7.8 38.0 108 114 A M H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-1.1 0.931 105.3 52.6 -60.4 -47.9 -19.2 -3.8 35.0 116 122 A R H 3X S+ 0 0 124 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.832 105.5 55.7 -57.7 -33.8 -19.2 -6.5 37.8 117 123 A R H 3X S+ 0 0 68 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.3 0.724 104.8 53.3 -73.8 -22.2 -23.0 -6.9 37.3 118 124 A L H < S+ 0 0 36 -4,-1.0 3,-1.0 -3,-0.3 -2,-0.2 0.928 105.3 52.4 -69.9 -48.1 -25.1 -11.9 33.7 122 128 A S H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 93.9 74.2 -61.4 -30.4 -23.0 -13.2 30.8 123 129 A E T 3< 0 0 57 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 0.171 360.0 360.0 -73.4 22.9 -22.1 -16.3 32.9 124 130 A K < 0 0 111 -3,-1.0 -1,-0.3 -2,-0.2 -2,-0.2 0.616 360.0 360.0-116.7 360.0 -25.6 -17.6 32.3 125 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 126 133 A N > 0 0 90 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 179.2 -29.3 -24.4 28.9 127 134 A L H > + 0 0 16 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.908 360.0 52.0 -55.3 -49.3 -32.2 -26.4 30.3 128 135 A A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 111.4 48.6 -57.0 -37.8 -30.0 -29.2 31.6 129 136 A F H > S+ 0 0 16 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.888 109.8 50.0 -70.7 -40.7 -27.9 -26.6 33.5 130 137 A L H X S+ 0 0 48 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.753 107.6 56.8 -69.5 -24.3 -30.9 -24.9 34.9 131 138 A D H X S+ 0 0 13 -4,-1.8 4,-1.6 -5,-0.2 3,-0.3 0.946 108.6 44.2 -69.6 -49.9 -32.2 -28.2 36.1 132 139 A V H X S+ 0 0 24 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.859 109.5 57.4 -62.5 -37.1 -29.0 -29.0 38.1 133 140 A T H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.848 106.3 50.3 -62.7 -34.1 -29.0 -25.5 39.5 134 141 A G H X S+ 0 0 1 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.857 111.3 47.2 -72.0 -37.0 -32.5 -26.1 40.9 135 142 A R H X S+ 0 0 74 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.893 111.0 50.9 -71.1 -41.6 -31.5 -29.4 42.5 136 143 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.906 110.4 48.5 -64.2 -43.1 -28.4 -27.9 44.1 137 144 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.859 109.5 54.9 -63.5 -35.1 -30.3 -25.0 45.6 138 145 A Q H X S+ 0 0 61 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.895 106.1 50.2 -65.9 -41.7 -32.8 -27.4 46.9 139 146 A T H X S+ 0 0 24 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.903 113.4 45.8 -62.8 -42.3 -30.1 -29.5 48.7 140 147 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.839 111.7 54.2 -67.2 -34.1 -28.8 -26.3 50.3 141 148 A L H < S+ 0 0 48 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.939 111.2 42.3 -66.2 -48.6 -32.3 -25.2 51.1 142 149 A N H >< S+ 0 0 62 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.837 110.6 56.2 -69.3 -34.9 -33.2 -28.4 53.0 143 150 A L H >< S+ 0 0 46 -4,-1.8 3,-2.2 1,-0.2 -1,-0.2 0.870 98.3 60.4 -67.3 -37.8 -29.9 -28.7 54.9 144 151 A A T 3< S+ 0 0 17 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.3 53.6 -62.9 -19.4 -30.3 -25.2 56.4 145 152 A K T < S+ 0 0 145 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.407 88.4 111.5 -93.1 -0.0 -33.4 -26.5 58.0 146 153 A Q S X S- 0 0 85 -3,-2.2 3,-1.3 1,-0.1 -3,-0.0 -0.437 78.7-121.3 -76.5 149.8 -31.5 -29.5 59.5 147 154 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.701 110.4 60.8 -62.5 -21.9 -30.9 -29.7 63.3 148 155 A D T 3 S+ 0 0 127 -5,-0.1 2,-0.2 2,-0.1 11,-0.1 -0.012 80.6 121.1 -98.3 29.2 -27.2 -29.7 62.7 149 156 A A < - 0 0 26 -3,-1.3 2,-0.3 -5,-0.1 9,-0.2 -0.623 60.1-121.4 -92.6 152.6 -27.1 -26.3 61.1 150 157 A M E -G 157 0C 113 7,-3.8 7,-2.5 -2,-0.2 2,-0.6 -0.678 18.8-118.8 -94.7 146.2 -25.1 -23.3 62.3 151 158 A T E -G 156 0C 128 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 -0.743 38.1-175.6 -82.3 118.3 -26.5 -20.0 63.3 152 159 A H E > -G 155 0C 51 3,-2.6 3,-0.6 -2,-0.6 46,-0.0 -0.945 36.5-123.5-121.8 139.7 -25.0 -17.3 61.1 153 160 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.773 117.0 38.3 -45.2 -33.6 -25.4 -13.5 61.2 154 161 A D T 3 S- 0 0 89 1,-0.1 46,-2.0 45,-0.0 2,-0.2 0.712 133.1 -69.0 -93.5 -24.7 -26.6 -13.6 57.6 155 162 A G E < S-GH 152 199C 11 -3,-0.6 -3,-2.6 44,-0.3 2,-0.4 -0.767 82.3 -16.2 175.2-125.6 -28.6 -16.8 57.8 156 163 A M E -GH 151 198C 81 42,-3.1 42,-4.7 44,-0.4 2,-0.5 -0.916 47.4-151.7-116.8 142.2 -27.9 -20.5 58.3 157 164 A Q E -GH 150 197C 47 -7,-2.5 -7,-3.8 -2,-0.4 40,-0.3 -0.947 15.6-172.5-117.0 124.9 -24.6 -22.3 57.8 158 165 A I E - H 0 196C 8 38,-4.0 38,-2.4 -2,-0.5 2,-0.5 -0.610 21.7-122.3-112.4 172.3 -24.4 -26.0 56.8 159 166 A K E + H 0 195C 148 -2,-0.2 2,-0.3 36,-0.2 36,-0.2 -0.952 49.7 125.5-120.7 114.5 -21.7 -28.6 56.5 160 167 A I - 0 0 17 34,-2.5 2,-0.1 -2,-0.5 -2,-0.1 -0.947 44.9-126.6-167.7 144.5 -21.1 -30.3 53.1 161 168 A T > - 0 0 28 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.339 29.8-112.2 -88.4 172.5 -18.4 -31.0 50.5 162 169 A R H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 14,-0.1 0.866 116.5 47.3 -72.6 -37.5 -18.5 -30.3 46.8 163 170 A Q H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.805 104.6 60.6 -76.0 -29.8 -18.5 -34.0 45.8 164 171 A E H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 105.6 47.9 -63.2 -41.2 -21.3 -34.8 48.3 165 172 A I H X S+ 0 0 1 -4,-1.1 4,-2.6 1,-0.2 5,-0.3 0.891 109.4 54.1 -64.8 -40.7 -23.6 -32.4 46.5 166 173 A G H X>S+ 0 0 4 -4,-1.3 4,-3.0 1,-0.2 5,-2.1 0.882 107.7 49.8 -61.0 -40.3 -22.7 -33.9 43.2 167 174 A Q H <5S+ 0 0 144 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.906 112.7 46.5 -66.5 -42.9 -23.6 -37.4 44.3 168 175 A I H <5S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 122.7 34.2 -64.9 -47.0 -27.0 -36.3 45.6 169 176 A V H <5S- 0 0 16 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.877 110.2-117.3 -77.2 -40.4 -27.9 -34.2 42.6 170 177 A G T <5 + 0 0 67 -4,-3.0 2,-0.3 -5,-0.3 -3,-0.2 0.803 69.3 116.5 101.6 44.4 -26.2 -36.5 40.0 171 178 A C < - 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