==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 07-NOV-00 1G6N . COMPND 2 MOLECULE: CATABOLITE GENE ACTIVATOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.PASSNER,S.C.SCHULTZ,T.A.STEITZ . 401 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 75.1 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 . 100 24.9 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 22 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 3 0 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 2 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 . 2 5 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 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 0 133 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.2 31.4 61.7 63.0 2 8 A D > - 0 0 53 1,-0.0 4,-2.6 0, 0.0 5,-0.2 -0.824 360.0 -91.9-138.9 174.2 29.2 60.4 65.8 3 9 A P H > S+ 0 0 109 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.850 121.4 52.6 -57.5 -40.2 29.5 58.7 69.3 4 10 A T H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.929 112.0 45.4 -64.0 -43.6 29.2 55.1 67.9 5 11 A L H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.959 114.1 49.0 -63.0 -50.7 32.1 55.8 65.4 6 12 A E H X S+ 0 0 90 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.789 108.7 54.3 -59.7 -29.4 34.1 57.5 68.1 7 13 A W H < S+ 0 0 69 -4,-1.8 4,-0.5 -5,-0.2 3,-0.3 0.945 110.3 45.9 -68.9 -47.9 33.5 54.5 70.4 8 14 A F H >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.960 111.0 52.8 -58.9 -50.1 34.8 52.1 67.7 9 15 A L H >< S+ 0 0 22 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.766 97.4 65.7 -58.4 -28.9 37.8 54.3 67.0 10 16 A S T 3< S+ 0 0 92 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.686 100.5 52.0 -69.3 -15.2 38.8 54.4 70.8 11 17 A H T < S+ 0 0 49 -3,-2.0 -1,-0.3 -4,-0.5 2,-0.2 0.336 102.3 80.6 -98.7 3.3 39.5 50.6 70.5 12 18 A C S < S- 0 0 18 -3,-1.5 2,-0.4 -4,-0.2 79,-0.2 -0.690 75.4-126.1-109.2 164.2 41.8 51.0 67.5 13 19 A H E -A 90 0A 131 77,-2.2 77,-2.1 -2,-0.2 2,-0.6 -0.882 25.9-140.7-103.1 134.8 45.4 52.0 66.9 14 20 A I E -A 89 0A 74 -2,-0.4 2,-0.3 75,-0.2 75,-0.2 -0.898 22.7-175.1-103.1 123.6 45.8 54.9 64.5 15 21 A H E -A 88 0A 82 73,-2.6 73,-2.8 -2,-0.6 2,-0.4 -0.872 18.1-132.4-117.4 151.0 48.7 54.6 62.1 16 22 A K E -A 87 0A 145 -2,-0.3 71,-0.2 71,-0.2 69,-0.0 -0.835 19.5-173.2-104.5 138.2 50.2 57.0 59.5 17 23 A Y E -A 86 0A 45 69,-2.7 69,-2.9 -2,-0.4 2,-0.1 -0.989 16.3-135.2-131.7 133.0 51.1 56.0 55.9 18 24 A P > - 0 0 87 0, 0.0 3,-1.7 0, 0.0 64,-0.2 -0.409 44.4 -72.0 -81.9 166.5 52.8 58.1 53.3 19 25 A S T 3 S+ 0 0 69 1,-0.2 64,-0.2 -2,-0.1 65,-0.1 -0.186 116.8 15.8 -56.3 146.9 51.7 58.3 49.6 20 26 A K T 3 S+ 0 0 178 62,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.368 91.7 132.3 69.4 -2.2 52.4 55.2 47.5 21 27 A S < - 0 0 30 -3,-1.7 61,-2.7 60,-0.1 2,-0.4 -0.537 58.4-119.5 -81.7 146.8 52.9 52.9 50.5 22 28 A T E +D 81 0B 44 59,-0.2 59,-0.2 -2,-0.2 3,-0.1 -0.731 28.6 177.1 -88.2 127.1 51.2 49.6 50.6 23 29 A L E S+ 0 0 12 57,-2.6 2,-0.4 -2,-0.4 58,-0.2 0.799 75.2 24.5 -92.5 -38.4 48.8 48.9 53.5 24 30 A I E -D 80 0B 4 56,-1.7 56,-2.4 4,-0.0 2,-0.5 -0.994 67.0-156.0-133.8 133.4 47.6 45.5 52.4 25 31 A H > - 0 0 81 -2,-0.4 3,-1.9 54,-0.2 51,-0.3 -0.910 31.3-109.8-109.4 133.2 49.4 43.0 50.1 26 32 A Q T 3 S+ 0 0 84 -2,-0.5 51,-0.2 1,-0.2 3,-0.1 -0.277 103.8 29.5 -58.4 139.5 47.3 40.4 48.3 27 33 A G T 3 S+ 0 0 32 49,-1.8 -1,-0.2 1,-0.3 50,-0.1 0.196 85.4 129.5 97.4 -22.2 47.9 36.9 49.7 28 34 A E S < S- 0 0 82 -3,-1.9 48,-2.1 1,-0.1 2,-0.4 -0.292 72.7 -94.5 -62.9 157.0 48.6 38.0 53.3 29 35 A K B -G 75 0C 135 46,-0.2 2,-0.8 -3,-0.1 46,-0.2 -0.624 40.6-126.8 -75.3 125.2 46.7 36.3 56.1 30 36 A A + 0 0 10 44,-3.1 44,-0.4 -2,-0.4 43,-0.3 -0.675 58.9 131.4 -79.5 109.1 43.6 38.4 56.9 31 37 A E + 0 0 119 -2,-0.8 62,-2.6 1,-0.1 63,-0.4 0.405 55.6 66.7-132.9 -8.2 43.5 39.2 60.6 32 38 A T E -B 92 0A 29 60,-0.3 2,-0.4 -3,-0.2 60,-0.2 -0.920 58.5-151.0-125.4 147.8 43.0 43.0 60.8 33 39 A L E -B 91 0A 0 58,-3.2 58,-2.0 -2,-0.3 2,-0.3 -0.875 19.2-156.6-111.6 145.1 40.2 45.4 59.9 34 40 A Y E -BC 90 64A 21 30,-2.8 30,-2.4 -2,-0.4 2,-0.4 -0.901 11.6-164.5-124.5 157.4 41.0 49.0 58.9 35 41 A Y E -BC 89 63A 25 54,-2.4 54,-2.7 -2,-0.3 2,-0.9 -0.991 23.9-128.7-141.3 124.3 39.1 52.3 58.8 36 42 A I E +B 88 0A 0 26,-2.8 25,-3.4 -2,-0.4 52,-0.2 -0.651 28.1 173.5 -78.9 106.7 40.2 55.4 56.8 37 43 A V E S- 0 0 36 50,-2.1 2,-0.3 -2,-0.9 51,-0.2 0.861 72.6 -4.7 -78.6 -38.1 40.3 58.3 59.2 38 44 A K E S+B 87 0A 120 49,-1.7 49,-2.7 22,-0.1 -1,-0.3 -0.981 107.0 28.0-157.3 140.6 41.9 60.7 56.7 39 45 A G S S- 0 0 16 -2,-0.3 21,-0.5 47,-0.2 2,-0.3 -0.488 71.1 -84.4 108.0-172.2 43.2 60.3 53.1 40 46 A S - 0 0 5 45,-0.2 43,-2.5 19,-0.2 44,-1.6 -0.978 29.7-170.6-141.9 151.2 42.6 58.1 50.1 41 47 A V E -EF 58 82B 0 17,-2.8 17,-2.6 -2,-0.3 2,-0.4 -0.893 16.0-133.4-136.7 166.3 43.7 54.7 48.9 42 48 A A E -EF 57 81B 9 39,-2.9 39,-2.5 -2,-0.3 2,-0.6 -0.944 12.7-141.6-122.9 142.3 43.4 52.6 45.7 43 49 A V E -EF 56 80B 19 13,-3.5 12,-2.9 -2,-0.4 13,-1.3 -0.932 28.7-173.1-105.4 120.7 42.4 48.9 45.6 44 50 A L E +EF 54 79B 4 35,-3.0 35,-2.8 -2,-0.6 2,-0.3 -0.878 18.8 174.0-122.2 151.0 44.4 47.0 42.9 45 51 A I E -E 53 0B 19 8,-2.0 8,-2.7 -2,-0.3 2,-0.3 -0.869 16.2-160.0-137.7 168.2 44.5 43.5 41.4 46 52 A K E -E 52 0B 73 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.966 13.6-116.2-152.6 164.4 46.7 42.2 38.5 47 53 A D > - 0 0 14 4,-1.3 3,-2.9 -2,-0.3 2,-2.0 -0.602 52.1 -78.6 -99.5 164.4 47.1 39.6 35.8 48 54 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.403 126.5 50.4 -62.9 81.9 49.7 36.9 35.3 49 55 A E T 3 S- 0 0 148 -2,-2.0 -1,-0.3 2,-0.0 -3,-0.0 0.009 120.1 -96.8 174.3 -33.2 52.2 39.4 33.8 50 56 A G < + 0 0 44 -3,-2.9 2,-0.5 1,-0.3 -2,-0.1 0.527 67.9 152.2 109.0 10.9 52.1 42.2 36.4 51 57 A K - 0 0 90 -4,-0.4 -4,-1.3 1,-0.0 -1,-0.3 -0.641 37.8-137.8 -77.3 121.0 49.6 44.5 34.8 52 58 A E E -E 46 0B 46 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.564 17.4-169.0 -82.8 143.7 47.8 46.5 37.4 53 59 A M E -E 45 0B 1 -8,-2.7 -8,-2.0 -2,-0.2 2,-0.8 -0.996 22.0-131.1-133.2 124.0 44.1 47.2 37.4 54 60 A I E -E 44 0B 6 114,-1.0 -10,-0.2 -2,-0.4 3,-0.1 -0.678 23.9-179.4 -78.6 109.7 42.5 49.7 39.7 55 61 A L E - 0 0 10 -12,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.855 62.2 -28.2 -76.2 -39.4 39.4 48.0 41.2 56 62 A S E -E 43 0B 35 -13,-1.3 -13,-3.5 2,-0.0 2,-0.4 -0.981 49.3-123.6-171.3 162.6 38.3 50.9 43.3 57 63 A Y E -E 42 0B 23 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.937 27.3-163.9-115.1 137.6 39.3 54.0 45.2 58 64 A L E -E 41 0B 12 -17,-2.6 -17,-2.8 -2,-0.4 2,-0.2 -0.958 8.8-172.3-124.4 148.3 38.4 54.3 48.9 59 65 A N > - 0 0 31 -2,-0.4 3,-2.2 -19,-0.2 -23,-0.3 -0.566 39.3 -40.8-127.7-173.2 38.3 57.4 51.0 60 66 A Q T 3 S+ 0 0 134 -21,-0.5 -23,-0.2 1,-0.3 -1,-0.2 -0.242 123.7 28.5 -51.4 133.4 37.9 58.9 54.4 61 67 A G T 3 S+ 0 0 20 -25,-3.4 2,-0.3 1,-0.3 -1,-0.3 0.264 94.2 119.9 95.3 -12.2 35.1 57.0 56.3 62 68 A D < - 0 0 37 -3,-2.2 -26,-2.8 -26,-0.2 -1,-0.3 -0.652 57.5-135.0 -90.1 144.2 35.6 53.7 54.4 63 69 A F E -C 35 0A 2 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.3 -0.584 22.7-167.7 -87.5 155.6 36.5 50.4 56.0 64 70 A I E +C 34 0A 5 -30,-2.4 -30,-2.8 -2,-0.2 16,-0.0 -0.982 62.5 32.2-141.4 154.2 39.2 48.3 54.3 65 71 A G S S+ 0 0 12 -2,-0.3 3,-0.3 -32,-0.2 -1,-0.1 0.770 74.7 129.0 72.3 27.2 40.2 44.7 54.8 66 72 A E > + 0 0 9 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.707 48.9 78.7 -85.6 -24.0 36.7 43.6 55.7 67 73 A L T 3 S+ 0 0 18 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.776 90.9 50.4 -59.2 -31.9 36.4 40.7 53.4 68 74 A G T > S+ 0 0 6 -3,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.493 89.6 87.9 -86.9 1.7 38.4 38.2 55.4 69 75 A L T < S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.796 79.5 55.3 -68.4 -34.0 36.4 38.9 58.6 70 76 A F T 3 S+ 0 0 32 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.465 113.9 30.4 -85.8 -0.1 33.5 36.4 58.1 71 77 A E S < S- 0 0 121 -3,-0.7 3,-0.2 -4,-0.1 -1,-0.2 -0.925 81.9-120.8-159.1 127.9 35.6 33.2 57.8 72 78 A E S S+ 0 0 157 -2,-0.3 -41,-0.1 1,-0.2 -3,-0.1 -0.288 87.6 35.9 -70.0 154.0 39.0 32.4 59.3 73 79 A G S S+ 0 0 60 -43,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.900 80.4 143.1 73.3 42.0 42.0 31.5 57.2 74 80 A Q - 0 0 25 -44,-0.4 -44,-3.1 -3,-0.2 2,-0.3 -0.873 43.1-133.5-115.4 149.7 41.5 33.8 54.3 75 81 A E B -G 29 0C 133 -2,-0.3 -46,-0.2 -46,-0.2 -49,-0.1 -0.730 37.7 -91.0 -97.6 151.4 44.0 35.8 52.3 76 82 A R - 0 0 19 -48,-2.1 -49,-1.8 -51,-0.3 -1,-0.1 -0.341 33.8-141.2 -58.6 135.0 43.6 39.5 51.4 77 83 A S S S- 0 0 47 -51,-0.2 2,-0.3 -50,-0.1 -1,-0.1 0.550 71.4 -0.9 -79.6 -8.5 41.8 39.6 48.1 78 84 A A S S- 0 0 7 -53,-0.1 2,-0.4 -33,-0.1 -33,-0.2 -0.957 78.1 -85.4-164.9 176.7 43.8 42.5 46.7 79 85 A W E - F 0 44B 53 -35,-2.8 -35,-3.0 -2,-0.3 2,-0.5 -0.795 33.0-161.0 -94.4 139.7 46.5 45.1 47.2 80 86 A V E -DF 24 43B 8 -56,-2.4 -57,-2.6 -2,-0.4 -56,-1.7 -0.987 13.4-179.3-125.3 120.8 45.5 48.4 48.9 81 87 A R E -DF 22 42B 60 -39,-2.5 -39,-2.9 -2,-0.5 -59,-0.2 -0.959 31.8-108.6-124.4 140.2 47.9 51.3 48.4 82 88 A A E - F 0 41B 4 -61,-2.7 -62,-2.4 -2,-0.4 -41,-0.3 -0.457 22.7-170.6 -68.5 126.5 47.8 54.8 49.7 83 89 A K S S+ 0 0 74 -43,-2.5 2,-0.2 -2,-0.2 -42,-0.2 0.873 78.1 5.2 -80.6 -44.0 46.9 57.4 47.0 84 90 A T S S- 0 0 60 -44,-1.6 2,-0.2 -65,-0.1 -64,-0.1 -0.561 112.2 -57.3-123.2-172.6 47.7 60.3 49.3 85 91 A A - 0 0 59 -2,-0.2 2,-0.3 -66,-0.1 -45,-0.2 -0.559 67.0-156.7 -69.5 134.7 49.1 60.5 52.8 86 92 A C E -A 17 0A 4 -69,-2.9 -69,-2.7 -2,-0.2 2,-0.5 -0.905 26.8-157.7-122.7 155.4 46.7 58.4 55.0 87 93 A E E -AB 16 38A 55 -49,-2.7 -50,-2.1 -2,-0.3 -49,-1.7 -0.974 29.7-177.2-127.1 104.3 45.7 58.2 58.6 88 94 A V E -AB 15 36A 0 -73,-2.8 -73,-2.6 -2,-0.5 2,-0.2 -0.941 19.0-149.4-118.8 127.9 44.3 54.7 59.1 89 95 A A E -AB 14 35A 1 -54,-2.7 -54,-2.4 -2,-0.5 2,-0.3 -0.613 19.9-170.0 -88.1 144.3 42.8 53.0 62.2 90 96 A E E +AB 13 34A 37 -77,-2.1 -77,-2.2 -2,-0.2 2,-0.3 -0.983 13.0 172.3-138.1 150.6 43.2 49.3 62.7 91 97 A I E - B 0 33A 7 -58,-2.0 -58,-3.2 -2,-0.3 -79,-0.1 -0.979 37.9-100.4-153.1 146.1 41.8 46.7 65.0 92 98 A S E > - B 0 32A 50 -2,-0.3 4,-2.6 -60,-0.2 -60,-0.3 -0.375 26.4-124.5 -69.8 150.2 42.1 42.9 65.1 93 99 A Y H > S+ 0 0 6 -62,-2.6 4,-2.9 2,-0.2 5,-0.2 0.908 113.0 58.1 -57.6 -42.8 39.1 40.8 63.7 94 100 A K H > S+ 0 0 149 -63,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.921 110.6 39.9 -53.6 -50.5 39.1 39.1 67.1 95 101 A K H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.891 113.6 56.0 -69.5 -36.9 38.5 42.4 69.0 96 102 A F H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.899 103.4 53.1 -62.0 -42.6 36.1 43.6 66.3 97 103 A R H X S+ 0 0 74 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.824 107.1 54.2 -62.3 -29.5 33.9 40.6 66.6 98 104 A Q H X S+ 0 0 108 -4,-1.0 4,-1.2 -3,-0.2 3,-0.5 0.937 105.7 51.4 -69.9 -44.0 33.7 41.4 70.3 99 105 A L H X S+ 0 0 9 -4,-2.0 4,-2.9 1,-0.3 -2,-0.2 0.820 102.8 60.5 -61.6 -33.8 32.6 44.9 69.7 100 106 A I H < S+ 0 0 4 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.905 101.1 54.4 -60.3 -41.0 29.8 43.6 67.4 101 107 A Q H < S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.856 111.6 44.2 -62.4 -35.0 28.5 41.7 70.5 102 108 A V H < S+ 0 0 107 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.963 136.1 5.9 -74.6 -50.4 28.3 45.0 72.4 103 109 A N >< - 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0 0 47 -4,-2.1 2,-0.1 -5,-0.3 0, 0.0 -0.870 69.3-130.7-111.9 145.5 31.1 48.8 26.4 132 138 A D > - 0 0 100 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.374 43.8 -93.2 -78.4 166.5 34.0 49.4 24.0 133 139 A V H > S+ 0 0 46 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.854 128.6 51.5 -51.8 -36.6 37.2 51.0 25.2 134 140 A T H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.929 109.2 49.8 -66.9 -44.8 35.9 54.4 24.1 135 141 A G H > S+ 0 0 17 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.904 108.9 53.0 -59.2 -42.5 32.6 53.9 26.0 136 142 A R H X S+ 0 0 26 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.931 107.9 50.3 -58.5 -49.3 34.5 52.9 29.1 137 143 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 108.1 51.8 -59.0 -44.2 36.6 56.0 29.1 138 144 A A H X S+ 0 0 42 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.911 114.4 44.3 -60.4 -41.4 33.7 58.4 28.8 139 145 A Q H >X S+ 0 0 62 -4,-1.9 4,-2.3 1,-0.2 3,-0.9 0.952 110.2 54.1 -66.1 -51.5 32.0 56.7 31.7 140 146 A T H 3X S+ 0 0 12 -4,-3.1 4,-2.5 1,-0.3 -2,-0.2 0.838 102.6 57.6 -52.1 -39.0 35.1 56.6 33.8 141 147 A L H 3X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.869 109.7 45.6 -62.1 -35.4 35.6 60.4 33.4 142 148 A L H << S+ 0 0 75 -4,-1.0 4,-0.4 -3,-0.9 -2,-0.2 0.899 110.0 52.5 -73.2 -42.5 32.2 60.9 34.9 143 149 A N H >< S+ 0 0 46 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.879 112.1 47.6 -60.2 -38.3 32.8 58.4 37.7 144 150 A L H >< S+ 0 0 9 -4,-2.5 3,-0.9 1,-0.2 -1,-0.3 0.741 102.5 62.1 -73.3 -27.1 36.0 60.4 38.5 145 151 A A T 3< S+ 0 0 20 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.553 100.7 56.6 -73.9 -8.9 34.0 63.7 38.3 146 152 A K T < S+ 0 0 158 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.517 83.1 113.7 -97.3 -10.4 32.0 62.3 41.3 147 153 A Q S X S- 0 0 42 -3,-0.9 3,-1.1 -4,-0.2 -3,-0.0 -0.220 75.6-122.4 -62.9 151.6 35.1 61.8 43.5 148 154 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.736 111.3 56.7 -66.5 -23.5 35.6 63.9 46.6 149 155 A D T 3 S+ 0 0 80 -5,-0.1 -4,-0.1 2,-0.1 2,-0.1 0.534 81.4 115.0 -86.4 -7.4 38.9 65.3 45.4 150 156 A A < - 0 0 26 -3,-1.1 2,-0.3 -6,-0.1 9,-0.2 -0.350 59.1-138.1 -66.4 142.7 37.4 66.6 42.1 151 157 A M E -H 158 0D 94 7,-1.4 7,-2.6 1,-0.1 -1,-0.1 -0.705 15.1-116.8-102.2 154.2 37.4 70.4 41.7 152 158 A T E -H 157 0D 110 -2,-0.3 5,-0.2 5,-0.2 -1,-0.1 -0.142 28.1-169.7 -80.2 179.1 34.6 72.6 40.3 153 159 A H - 0 0 60 3,-0.9 3,-0.3 4,-0.1 5,-0.0 -0.951 39.3-112.2-168.8 148.6 34.7 74.7 37.1 154 160 A P S S+ 0 0 114 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.523 118.9 43.3 -64.5 -3.1 32.6 77.4 35.3 155 161 A D S S- 0 0 97 1,-0.1 2,-0.4 44,-0.1 0, 0.0 -0.720 134.1 -60.1-143.5 83.6 31.9 74.6 32.7 156 162 A G S S- 0 0 38 -3,-0.3 -3,-0.9 -2,-0.2 2,-0.2 -0.624 85.9 -63.7 79.7-128.2 31.2 71.3 34.4 157 163 A M E -HI 152 199D 87 42,-1.8 42,-1.0 -2,-0.4 2,-0.3 -0.824 42.9-122.2-146.3-177.3 34.1 70.1 36.6 158 164 A Q E -HI 151 198D 42 -7,-2.6 -7,-1.4 -2,-0.2 2,-0.3 -0.970 10.9-162.9-139.4 155.0 37.7 69.0 36.4 159 165 A I E - I 0 197D 13 38,-2.5 38,-1.9 -2,-0.3 -14,-0.1 -0.886 16.7-148.2-130.1 159.7 40.0 66.1 37.3 160 166 A K + 0 0 145 -2,-0.3 36,-0.2 36,-0.2 2,-0.2 -0.412 48.9 141.9-123.7 53.1 43.8 65.7 37.7 161 167 A I - 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