==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION/DNA 21-MAY-10 3N4M . COMPND 2 MOLECULE: CATABOLITE GENE ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.LARA-GONZALEZ,J.J.BIRKTOFT,C.L.LAWSON . 350 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 71.4 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 . 54 15.4 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 0.3 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 . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 2 3 2 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 4 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.6 109.5 -79.6 155.8 2 8 A D > - 0 0 53 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.855 360.0-171.5-136.4 101.7 105.7 -79.1 156.0 3 9 A P H > S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.864 82.7 47.6 -60.4 -46.4 103.5 -82.2 155.2 4 10 A T H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 113.4 44.7 -67.4 -51.2 100.1 -80.6 155.1 5 11 A L H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 112.6 53.2 -60.0 -41.5 100.9 -77.5 152.9 6 12 A E H X S+ 0 0 129 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.912 111.2 46.2 -58.8 -43.2 102.9 -79.8 150.5 7 13 A W H < S+ 0 0 65 -4,-2.0 4,-0.2 2,-0.2 -2,-0.2 0.917 112.3 51.1 -65.0 -44.2 99.9 -82.0 150.2 8 14 A F H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.952 109.1 49.8 -56.5 -53.3 97.5 -79.1 149.7 9 15 A L H >< S+ 0 0 39 -4,-2.9 3,-2.5 1,-0.3 -1,-0.2 0.852 98.7 67.1 -56.9 -36.9 99.7 -77.6 147.0 10 16 A S T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.543 101.7 49.3 -65.6 -4.4 99.8 -80.9 145.1 11 17 A H T < S+ 0 0 101 -3,-2.0 -1,-0.3 -4,-0.2 2,-0.3 0.195 99.7 90.6-114.6 12.0 96.1 -80.5 144.5 12 18 A C S < S- 0 0 22 -3,-2.5 2,-0.6 79,-0.1 79,-0.2 -0.741 73.6-125.3-109.6 156.0 96.3 -77.0 143.2 13 19 A H E -A 90 0A 121 77,-2.9 77,-1.7 -2,-0.3 2,-0.4 -0.899 29.5-142.4 -93.4 122.2 96.8 -75.3 139.8 14 20 A I E +A 89 0A 67 -2,-0.6 2,-0.4 75,-0.2 75,-0.2 -0.721 23.6 178.1 -90.0 135.0 99.8 -73.0 139.9 15 21 A H E -A 88 0A 75 73,-2.1 73,-2.7 -2,-0.4 2,-0.5 -0.998 23.6-132.6-141.6 134.4 99.5 -69.7 138.0 16 22 A K E -A 87 0A 152 -2,-0.4 71,-0.2 71,-0.2 69,-0.0 -0.750 16.2-163.7 -90.6 129.6 101.8 -66.7 137.5 17 23 A Y E -A 86 0A 35 69,-3.4 69,-2.7 -2,-0.5 3,-0.1 -0.956 19.0-129.8-110.9 124.7 100.4 -63.2 137.9 18 24 A P > - 0 0 88 0, 0.0 3,-1.9 0, 0.0 64,-0.2 -0.327 41.8 -80.4 -66.0 150.4 102.5 -60.3 136.6 19 25 A S T 3 S+ 0 0 57 1,-0.2 66,-0.2 62,-0.1 64,-0.2 -0.164 116.4 17.5 -46.1 141.2 103.2 -57.3 138.8 20 26 A K T 3 S+ 0 0 171 62,-2.6 -1,-0.2 64,-0.4 2,-0.2 0.430 94.4 130.3 74.2 0.9 100.3 -54.8 139.0 21 27 A S < - 0 0 30 -3,-1.9 61,-3.0 60,-0.1 2,-0.6 -0.503 61.4-112.4 -83.8 156.1 97.7 -57.3 137.6 22 28 A T E +D 81 0B 46 59,-0.2 59,-0.2 -2,-0.2 3,-0.1 -0.791 29.0 177.7 -93.1 119.7 94.4 -58.0 139.3 23 29 A L E S+ 0 0 10 57,-2.5 2,-0.4 -2,-0.6 58,-0.2 0.835 75.6 24.0 -81.7 -37.3 93.8 -61.5 140.8 24 30 A I E -D 80 0B 5 56,-1.6 56,-2.1 52,-0.0 2,-0.6 -0.996 65.2-154.3-136.8 130.6 90.4 -60.7 142.1 25 31 A H > - 0 0 81 -2,-0.4 3,-1.9 54,-0.2 51,-0.2 -0.920 30.4-116.3-104.7 122.5 87.7 -58.2 141.1 26 32 A Q T 3 S+ 0 0 82 -2,-0.6 51,-0.2 1,-0.2 3,-0.1 -0.260 100.6 27.9 -50.9 135.6 85.2 -57.1 143.7 27 33 A G T 3 S+ 0 0 30 49,-2.4 -1,-0.2 1,-0.4 3,-0.1 -0.045 90.6 121.7 102.8 -31.4 81.7 -58.1 142.8 28 34 A E S < S- 0 0 97 -3,-1.9 48,-2.5 47,-0.1 -1,-0.4 -0.108 74.9 -86.6 -59.9 161.2 82.7 -61.2 140.7 29 35 A K B -G 75 0C 118 46,-0.2 2,-0.6 -3,-0.1 46,-0.2 -0.411 39.1-133.4 -67.9 148.1 81.4 -64.6 141.6 30 36 A A + 0 0 6 44,-1.8 44,-0.3 1,-0.1 43,-0.3 -0.928 54.3 127.3-110.2 113.5 83.5 -66.5 144.2 31 37 A E + 0 0 136 -2,-0.6 62,-2.7 1,-0.2 63,-0.4 0.329 58.1 67.9-141.8 -0.9 84.3 -70.1 143.4 32 38 A T E -B 92 0A 38 60,-0.3 2,-0.4 -3,-0.1 60,-0.2 -0.964 60.1-148.0-132.4 144.2 88.0 -70.4 143.7 33 39 A L E -B 91 0A 0 58,-3.3 58,-1.9 -2,-0.4 2,-0.3 -0.909 17.0-156.3-110.7 137.6 90.5 -70.2 146.6 34 40 A Y E -BC 90 64A 28 30,-2.9 30,-3.0 -2,-0.4 2,-0.4 -0.800 9.5-167.3-114.8 154.7 94.0 -68.8 146.2 35 41 A Y E -BC 89 63A 22 54,-2.0 54,-3.1 -2,-0.3 2,-1.0 -0.969 24.2-128.1-141.8 123.5 97.3 -69.3 148.1 36 42 A I E +B 88 0A 0 26,-2.6 25,-3.0 -2,-0.4 52,-0.2 -0.597 29.4 171.3 -79.9 103.7 100.3 -67.1 147.6 37 43 A V E S- 0 0 41 50,-1.8 2,-0.3 -2,-1.0 51,-0.2 0.879 74.3 -1.6 -74.9 -42.3 103.4 -69.4 146.9 38 44 A K E S+B 87 0A 148 49,-1.8 49,-2.8 22,-0.1 -1,-0.3 -0.989 107.6 32.1-149.8 144.6 105.6 -66.4 146.0 39 45 A G S S- 0 0 18 -2,-0.3 21,-0.7 47,-0.2 2,-0.3 -0.691 70.3 -93.7 113.8-166.6 105.1 -62.7 145.8 40 46 A S E -E 59 0B 6 -2,-0.2 43,-1.9 19,-0.2 44,-1.5 -0.975 29.2-163.7-154.8 144.3 102.9 -60.1 147.6 41 47 A V E -EF 58 82B 0 17,-2.4 17,-2.1 -2,-0.3 2,-0.5 -0.808 16.5-128.6-126.5 166.1 99.5 -58.6 146.9 42 48 A A E -EF 57 81B 7 39,-3.1 39,-2.3 -2,-0.3 2,-0.7 -0.975 13.6-149.6-118.3 123.7 97.5 -55.6 148.0 43 49 A V E +EF 56 80B 21 13,-3.8 12,-1.8 -2,-0.5 13,-1.6 -0.823 31.5 173.3 -90.2 114.2 93.9 -56.1 149.2 44 50 A L E -EF 54 79B 1 35,-2.5 35,-2.0 -2,-0.7 2,-0.3 -0.903 24.1-164.4-130.8 157.4 91.9 -52.9 148.4 45 51 A I E -E 53 0B 59 8,-2.1 8,-1.4 -2,-0.3 2,-0.3 -0.852 14.4-148.8-128.6 162.7 88.4 -51.5 148.3 46 52 A K E -E 52 0B 79 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.971 8.2-132.3-138.7 148.0 87.0 -48.4 146.6 47 53 A D > - 0 0 47 4,-1.7 3,-1.6 -2,-0.3 6,-0.0 -0.431 44.7 -92.7 -88.1 173.7 84.3 -45.7 147.1 48 54 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.883 125.8 56.4 -54.1 -44.1 81.8 -44.7 144.4 49 55 A E T 3 S- 0 0 144 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.696 121.9-107.3 -63.2 -19.8 84.0 -41.9 143.1 50 56 A G < + 0 0 42 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.381 65.1 153.7 107.8 -2.0 86.7 -44.5 142.6 51 57 A K - 0 0 141 1,-0.1 -4,-1.7 -5,-0.1 -1,-0.3 -0.296 36.2-132.3 -59.6 140.6 89.0 -43.5 145.5 52 58 A E E -E 46 0B 40 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.623 21.4-174.3-100.4 158.6 91.2 -46.4 146.8 53 59 A M E -E 45 0B 39 -8,-1.4 -8,-2.1 -2,-0.2 2,-0.9 -0.930 23.7-132.9-152.1 120.4 91.9 -47.6 150.2 54 60 A I E -E 44 0B 6 114,-2.4 -10,-0.3 -2,-0.3 3,-0.1 -0.657 20.1-177.0 -82.5 105.0 94.4 -50.4 151.0 55 61 A L E - 0 0 56 -12,-1.8 2,-0.3 -2,-0.9 -11,-0.2 0.882 62.6 -33.9 -65.2 -38.7 92.8 -52.9 153.4 56 62 A S E -E 43 0B 38 -13,-1.6 -13,-3.8 2,-0.0 2,-0.4 -0.965 47.4-117.1-177.2 153.3 95.9 -55.0 153.7 57 63 A Y E -E 42 0B 22 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.898 28.7-163.4 -99.9 137.1 99.1 -56.5 152.3 58 64 A L E -E 41 0B 9 -17,-2.1 -17,-2.4 -2,-0.4 2,-0.2 -0.931 9.4-171.8-119.1 150.4 99.3 -60.3 152.0 59 65 A N E > -E 40 0B 28 -2,-0.4 3,-2.3 -19,-0.2 -23,-0.3 -0.585 40.8 -42.3-128.1-175.3 102.5 -62.2 151.4 60 66 A Q T 3 S+ 0 0 137 -21,-0.7 -23,-0.2 1,-0.3 -1,-0.2 -0.275 125.1 29.7 -51.1 133.5 103.9 -65.6 150.7 61 67 A G T 3 S+ 0 0 17 -25,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.019 93.0 118.0 103.0 -27.1 102.0 -68.1 152.8 62 68 A D < - 0 0 39 -3,-2.3 -26,-2.6 -26,-0.2 -1,-0.3 -0.493 59.0-131.8 -79.7 141.7 98.7 -66.2 152.9 63 69 A F E -C 35 0A 2 -28,-0.2 2,-0.3 -2,-0.2 -28,-0.3 -0.599 22.2-160.4 -78.8 149.2 95.4 -67.5 151.5 64 70 A I E +C 34 0A 5 -30,-3.0 -30,-2.9 -2,-0.2 16,-0.0 -0.972 63.6 20.5-130.4 155.5 93.3 -65.3 149.3 65 71 A G S S+ 0 0 11 -2,-0.3 -1,-0.2 -32,-0.2 3,-0.1 0.920 75.2 133.1 61.1 47.0 89.7 -65.3 148.3 66 72 A E > + 0 0 13 -3,-0.2 3,-1.5 1,-0.1 4,-0.2 0.646 49.9 78.1 -97.1 -18.9 88.7 -67.5 151.2 67 73 A L G > S+ 0 0 90 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.708 88.5 54.8 -70.7 -22.1 85.7 -65.4 152.3 68 74 A G G 3 S+ 0 0 6 1,-0.2 6,-0.4 -36,-0.2 -1,-0.3 0.509 88.3 84.9 -85.5 -3.8 83.3 -66.7 149.6 69 75 A L G < S+ 0 0 3 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.552 83.7 51.8 -79.7 -9.5 84.0 -70.3 150.6 70 76 A F S < S+ 0 0 121 -3,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.781 108.1 41.3-104.4 -27.1 81.4 -70.6 153.4 71 77 A E S > S- 0 0 132 -4,-0.3 3,-0.7 -3,-0.2 2,-0.2 -0.931 88.3-109.0-118.7 147.3 78.1 -69.5 151.9 72 78 A E T 3 S+ 0 0 150 -2,-0.4 -3,-0.1 1,-0.2 -41,-0.1 -0.507 92.9 11.3 -78.3 137.8 76.9 -70.3 148.4 73 79 A G T 3 S+ 0 0 51 -43,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.868 84.0 157.9 70.1 39.0 76.9 -67.7 145.6 74 80 A Q < - 0 0 63 -3,-0.7 -44,-1.8 -6,-0.4 2,-0.4 -0.549 34.9-125.8 -90.4 162.2 78.8 -65.0 147.4 75 81 A E B -G 29 0C 112 -46,-0.2 -46,-0.2 -2,-0.2 -47,-0.1 -0.879 32.2 -91.1-112.2 139.6 80.7 -62.2 145.7 76 82 A R - 0 0 19 -48,-2.5 -49,-2.4 -2,-0.4 3,-0.1 -0.189 34.5-151.5 -41.9 126.4 84.3 -61.2 145.9 77 83 A S + 0 0 74 -51,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.522 66.9 9.8 -88.9 -6.0 84.4 -58.6 148.7 78 84 A A S S- 0 0 8 -33,-0.1 2,-0.2 -53,-0.1 -33,-0.2 -0.988 77.2 -95.0-165.8 156.1 87.5 -56.7 147.5 79 85 A W E - F 0 44B 57 -35,-2.0 -35,-2.5 -2,-0.3 2,-0.4 -0.544 33.4-160.6 -69.8 139.7 90.0 -56.1 144.7 80 86 A V E -DF 24 43B 6 -56,-2.1 -57,-2.5 -37,-0.2 -56,-1.6 -0.983 12.3-176.2-125.8 122.3 93.2 -58.1 145.1 81 87 A R E -DF 22 42B 69 -39,-2.3 -39,-3.1 -2,-0.4 2,-0.5 -0.937 31.0-111.1-126.3 137.3 96.2 -56.8 143.1 82 88 A A E - F 0 41B 2 -61,-3.0 -62,-2.6 -2,-0.4 -41,-0.3 -0.519 25.7-173.1 -69.8 116.0 99.7 -58.1 142.6 83 89 A K S S+ 0 0 64 -43,-1.9 -42,-0.2 -2,-0.5 -1,-0.2 0.976 80.0 3.8 -72.6 -60.2 102.1 -55.7 144.4 84 90 A T S S- 0 0 59 -44,-1.5 -64,-0.4 -65,-0.1 2,-0.4 -0.237 115.7 -61.6 -96.3-162.1 105.2 -57.6 143.1 85 91 A A - 0 0 62 -66,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.740 62.9-153.4 -84.9 137.1 104.9 -60.5 140.6 86 92 A C E -A 17 0A 4 -69,-2.7 -69,-3.4 -2,-0.4 2,-0.5 -0.867 22.9-157.9-119.5 144.3 103.1 -63.4 142.2 87 93 A E E -AB 16 38A 59 -49,-2.8 -50,-1.8 -2,-0.4 -49,-1.8 -0.988 28.5-167.9-113.9 123.5 102.9 -67.2 141.8 88 94 A V E -AB 15 36A 0 -73,-2.7 -73,-2.1 -2,-0.5 2,-0.3 -0.937 21.0-141.2-125.8 126.4 99.6 -68.4 143.1 89 95 A A E -AB 14 35A 0 -54,-3.1 -54,-2.0 -2,-0.5 2,-0.4 -0.661 28.1-162.2 -78.1 135.7 98.2 -71.9 144.0 90 96 A E E +AB 13 34A 31 -77,-1.7 -77,-2.9 -2,-0.3 2,-0.3 -0.953 18.2 165.1-127.8 141.3 94.6 -72.2 142.9 91 97 A I E - B 0 33A 11 -58,-1.9 -58,-3.3 -2,-0.4 -79,-0.1 -0.971 37.0-111.8-153.9 137.0 91.8 -74.7 143.9 92 98 A S E > - B 0 32A 34 -2,-0.3 4,-2.3 -60,-0.2 -60,-0.3 -0.401 25.4-124.1 -68.9 146.1 88.1 -74.6 143.4 93 99 A Y H > S+ 0 0 7 -62,-2.7 4,-2.9 1,-0.2 3,-0.4 0.959 112.6 55.5 -49.8 -53.4 86.0 -74.2 146.5 94 100 A K H > S+ 0 0 140 -63,-0.4 4,-1.1 1,-0.3 -1,-0.2 0.898 113.1 39.7 -47.4 -49.7 84.2 -77.4 145.6 95 101 A K H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.746 112.5 56.7 -77.2 -23.7 87.4 -79.4 145.4 96 102 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 -3,-0.4 3,-0.5 0.914 101.8 55.4 -71.7 -44.3 88.9 -77.6 148.4 97 103 A R H X S+ 0 0 76 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.877 103.7 56.9 -52.4 -38.7 85.9 -78.7 150.6 98 104 A Q H < S+ 0 0 103 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.866 104.6 51.2 -63.5 -36.4 86.7 -82.2 149.5 99 105 A L H >X S+ 0 0 10 -4,-1.1 3,-2.4 -3,-0.5 4,-2.0 0.934 104.6 57.1 -62.9 -47.4 90.2 -81.9 150.9 100 106 A I H 3< S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.903 102.7 54.2 -49.9 -45.9 88.9 -80.6 154.2 101 107 A Q T 3< S+ 0 0 183 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.514 110.7 47.7 -71.5 -1.8 86.9 -83.8 154.6 102 108 A V T <4 S+ 0 0 106 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.711 135.7 0.8-103.4 -32.5 90.1 -85.7 154.1 103 109 A N >< - 0 0 57 -4,-2.0 3,-1.4 -3,-0.2 4,-0.4 -0.676 58.4-163.0-161.8 99.1 92.2 -83.7 156.6 104 110 A P T 3> S+ 0 0 82 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.528 77.4 89.0 -61.8 -9.2 90.6 -80.8 158.5 105 111 A D H 3> S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 82.0 55.8 -58.7 -40.7 94.1 -79.5 159.4 106 112 A I H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.899 105.5 51.8 -60.8 -39.0 94.1 -77.5 156.2 107 113 A L H > S+ 0 0 48 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.886 106.2 55.5 -63.9 -38.4 90.9 -75.8 157.3 108 114 A M H X S+ 0 0 134 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.958 107.1 49.2 -54.8 -51.8 92.6 -75.0 160.7 109 115 A R H X S+ 0 0 80 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.872 111.9 48.7 -59.9 -38.8 95.4 -73.2 158.9 110 116 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.922 112.5 47.6 -64.8 -44.3 92.9 -71.2 156.8 111 117 A S H X S+ 0 0 48 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.844 105.2 59.9 -68.3 -34.8 90.9 -70.2 159.9 112 118 A A H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.955 107.7 46.0 -52.2 -51.3 94.1 -69.3 161.8 113 119 A Q H X S+ 0 0 41 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.843 110.9 52.5 -65.7 -34.5 94.8 -66.7 159.1 114 120 A M H X S+ 0 0 41 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.969 107.1 51.6 -64.1 -51.7 91.2 -65.5 159.1 115 121 A A H X S+ 0 0 52 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 110.5 49.9 -49.1 -50.5 91.3 -64.9 162.9 116 122 A R H X S+ 0 0 145 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.925 109.4 50.5 -54.1 -49.8 94.5 -62.9 162.5 117 123 A R H X S+ 0 0 44 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.873 108.2 53.0 -61.0 -37.7 93.0 -60.8 159.7 118 124 A L H X S+ 0 0 117 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.926 111.2 46.1 -63.0 -44.6 90.0 -60.0 161.8 119 125 A Q H X S+ 0 0 110 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.928 116.1 45.9 -61.3 -46.8 92.2 -58.9 164.7 120 126 A V H X S+ 0 0 69 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.919 115.5 45.1 -63.3 -45.3 94.3 -56.8 162.4 121 127 A T H X S+ 0 0 51 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.880 109.1 55.8 -69.4 -37.9 91.3 -55.2 160.6 122 128 A S H X S+ 0 0 69 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.889 107.0 51.3 -58.7 -39.9 89.5 -54.5 163.8 123 129 A E H X S+ 0 0 102 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.897 102.9 57.9 -64.4 -40.8 92.6 -52.6 164.9 124 130 A K H X S+ 0 0 42 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.863 104.5 53.8 -56.6 -36.1 92.5 -50.6 161.7 125 131 A V H X S+ 0 0 94 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.937 108.5 47.5 -62.9 -48.3 89.0 -49.6 162.7 126 132 A G H X S+ 0 0 19 -4,-1.7 4,-2.3 1,-0.2 5,-0.4 0.919 109.3 54.4 -58.9 -46.2 90.2 -48.4 166.1 127 133 A N H X S+ 0 0 32 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.900 110.5 46.1 -52.5 -45.2 93.0 -46.5 164.4 128 134 A L H < S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 117.8 42.6 -69.9 -33.0 90.6 -44.6 162.2 129 135 A A H < S+ 0 0 75 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.738 127.3 27.3 -83.3 -25.6 88.2 -43.8 165.0 130 136 A F H < S+ 0 0 172 -4,-2.3 2,-0.3 -5,-0.2 -3,-0.2 0.781 105.1 68.3-111.9 -37.2 90.7 -42.8 167.6 131 137 A L < - 0 0 56 -4,-2.0 2,-0.0 -5,-0.4 -1,-0.0 -0.655 66.6-132.6 -96.2 145.4 93.9 -41.5 166.0 132 138 A D > - 0 0 104 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.185 47.4 -86.9 -72.4-179.6 94.5 -38.3 164.0 133 139 A V H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 129.7 53.0 -62.3 -39.8 96.4 -38.5 160.7 134 140 A T H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 110.6 48.9 -61.7 -38.5 99.8 -38.2 162.4 135 141 A G H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 112.4 46.0 -67.8 -43.9 98.9 -41.1 164.8 136 142 A R H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 115.0 47.6 -67.7 -38.3 97.7 -43.3 162.0 137 143 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.958 111.6 48.9 -67.6 -50.9 100.8 -42.6 159.9 138 144 A A H X S+ 0 0 38 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.931 113.2 49.2 -51.3 -48.4 103.2 -43.2 162.7 139 145 A Q H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.932 110.5 50.6 -56.2 -47.5 101.4 -46.4 163.4 140 146 A T H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.813 105.0 55.7 -65.2 -33.4 101.6 -47.4 159.8 141 147 A L H X S+ 0 0 3 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.858 109.4 48.4 -65.8 -34.1 105.3 -46.8 159.5 142 148 A L H < S+ 0 0 72 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.878 112.0 48.0 -71.9 -38.3 105.7 -49.2 162.5 143 149 A N H X S+ 0 0 67 -4,-1.9 4,-0.6 1,-0.2 3,-0.5 0.776 109.3 53.7 -73.1 -27.1 103.5 -51.8 160.8 144 150 A L H < S+ 0 0 18 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 101.1 58.8 -79.0 -23.8 105.4 -51.4 157.5 145 151 A A T < S+ 0 0 5 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.537 100.4 60.7 -79.1 -5.9 108.7 -52.1 159.3 146 152 A K T 4 S+ 0 0 134 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.784 83.0 102.3 -87.2 -32.3 107.2 -55.4 160.3 147 153 A Q S >< S- 0 0 45 -4,-0.6 3,-0.8 -3,-0.2 -3,-0.0 0.013 81.8-115.1 -51.9 158.9 106.7 -56.6 156.8 148 154 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.895 110.6 55.7 -63.8 -46.2 109.1 -59.2 155.2 149 155 A D T 3 S+ 0 0 93 2,-0.1 2,-0.2 11,-0.0 -2,-0.1 0.423 80.2 115.0 -74.9 0.7 110.5 -57.0 152.5 150 156 A A < - 0 0 16 -3,-0.8 2,-0.4 -6,-0.1 9,-0.2 -0.535 64.0-133.8 -70.4 137.3 111.6 -54.4 155.0 151 157 A M B -H 158 0D 37 7,-2.6 7,-3.2 -2,-0.2 2,-0.1 -0.778 13.2-117.4 -98.8 137.3 115.4 -54.1 155.1 152 158 A T - 0 0 13 -2,-0.4 91,-2.3 5,-0.2 92,-0.2 -0.451 37.2-177.0 -67.2 142.5 117.4 -54.0 158.3 153 159 A H > - 0 0 29 3,-0.3 3,-0.6 89,-0.2 89,-0.0 -0.993 35.1-115.3-148.8 140.7 119.2 -50.7 158.7 154 160 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.864 115.3 40.6 -44.7 -55.8 121.7 -49.4 161.4 155 161 A D T 3 S- 0 0 101 1,-0.2 46,-1.4 -3,-0.1 2,-0.3 0.807 134.7 -61.3 -69.0 -28.6 119.5 -46.6 162.8 156 162 A G E < S- I 0 200D 0 -3,-0.6 -3,-0.3 44,-0.3 2,-0.2 -0.941 85.3 -25.4 170.6-164.6 116.3 -48.7 162.6 157 163 A M E - I 0 199D 28 42,-1.1 42,-3.4 -2,-0.3 2,-0.4 -0.479 54.7-146.1 -74.8 131.6 114.2 -50.6 159.9 158 164 A Q E +HI 151 198D 29 -7,-3.2 -7,-2.6 40,-0.3 2,-0.3 -0.799 20.6 179.5 -97.9 131.8 114.3 -49.3 156.3 159 165 A I E - I 0 197D 9 38,-3.5 38,-2.9 -2,-0.4 2,-0.6 -0.897 25.0-136.6-131.4 157.8 111.3 -49.4 154.0 160 166 A K E + I 0 196D 127 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.944 45.6 128.8-116.2 112.5 110.3 -48.5 150.4 161 167 A I - 0 0 8 34,-2.5 2,-0.2 -2,-0.6 -2,-0.1 -0.982 47.8-118.2-158.8 150.8 106.9 -46.8 149.9 162 168 A T > - 0 0 38 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.541 22.0-124.6 -89.9 156.4 105.4 -43.7 148.3 163 169 A R H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 112.8 57.2 -62.1 -39.1 103.6 -40.9 150.1 164 170 A Q H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.913 107.8 47.1 -57.4 -45.4 100.6 -41.5 147.8 165 171 A E H >> S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 3,-0.7 0.943 107.0 54.0 -65.8 -51.4 100.3 -45.1 149.0 166 172 A I H >X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.3 3,-0.8 0.899 106.5 56.5 -48.0 -42.8 100.7 -44.3 152.7 167 173 A G H 3X>S+ 0 0 3 -4,-2.1 5,-2.0 1,-0.3 4,-1.1 0.875 104.9 50.0 -55.4 -41.7 97.7 -42.0 152.1 168 174 A Q H <<5S+ 0 0 57 -4,-1.3 -114,-2.4 -3,-0.7 -1,-0.3 0.632 111.9 50.4 -74.4 -15.3 95.7 -44.9 150.7 169 175 A I H <<5S+ 0 0 14 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.917 119.5 31.1 -84.4 -50.2 96.6 -46.9 153.8 170 176 A V H <5S- 0 0 4 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.459 112.7-114.4 -91.6 -3.3 95.7 -44.4 156.5 171 177 A G T <5S+ 0 0 38 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.987 72.7 100.6 71.8 64.7 92.9 -42.8 154.5 172 178 A C S - 0 0 54 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.301 34.8-127.8 -75.9 156.7 95.4 -37.0 151.0 174 180 A R H > S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.812 108.6 60.3 -73.2 -31.2 98.9 -37.5 149.6 175 181 A E H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 106.4 48.6 -60.7 -40.5 99.8 -33.8 150.2 176 182 A T H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 105.9 54.4 -68.4 -43.2 99.1 -34.4 153.9 177 183 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.846 108.2 53.5 -60.4 -31.3 101.2 -37.5 154.2 178 184 A G H X S+ 0 0 24 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.933 107.7 48.0 -67.4 -47.0 104.0 -35.4 152.7 179 185 A R H X S+ 0 0 163 -4,-1.7 4,-1.2 1,-0.2 3,-0.2 0.905 114.2 46.9 -60.8 -43.4 103.7 -32.6 155.3 180 186 A I H X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.864 106.4 56.0 -72.2 -36.4 103.6 -35.1 158.1 181 187 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.795 107.8 52.5 -63.1 -25.6 106.6 -37.1 156.9 182 188 A K H X S+ 0 0 114 -4,-1.2 4,-0.8 -3,-0.2 3,-0.3 0.805 110.2 46.9 -79.7 -29.7 108.4 -33.8 157.0 183 189 A M H >X S+ 0 0 80 -4,-1.2 4,-2.1 1,-0.2 3,-0.7 0.896 105.3 57.3 -76.4 -43.4 107.4 -33.1 160.6 184 190 A L H 3<>S+ 0 0 6 -4,-2.7 5,-2.1 1,-0.2 6,-1.6 0.517 104.8 57.5 -64.6 -2.9 108.3 -36.6 161.8 185 191 A E H >45S+ 0 0 42 -3,-0.3 3,-0.9 -5,-0.2 -1,-0.2 0.763 103.1 48.3 -98.5 -33.0 111.8 -35.7 160.4 186 192 A D H <<5S+ 0 0 105 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.882 108.4 56.3 -68.6 -40.5 112.3 -32.6 162.6 187 193 A Q T 3<5S- 0 0 107 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.1 0.248 113.8-125.1 -74.2 13.9 111.2 -34.7 165.5 188 194 A N T < 5S+ 0 0 123 -3,-0.9 -3,-0.2 -5,-0.1 -2,-0.1 0.838 76.6 121.9 39.5 47.6 114.0 -37.1 164.6 189 195 A L S S-J 196 0D 133 3,-2.2 3,-0.9 -2,-0.6 2,-0.2 -0.837 72.0 -40.0-140.8 100.5 114.5 -39.3 151.2 194 200 A G T 3 S- 0 0 47 -2,-0.3 -33,-0.1 1,-0.2 -1,-0.0 -0.598 117.4 -28.4 83.6-146.4 112.6 -40.5 148.1 195 201 A K T 3 S+ 0 0 109 -2,-0.2 -34,-2.5 -35,-0.1 2,-0.6 0.548 119.4 101.1 -76.0 -7.0 110.5 -43.7 148.4 196 202 A T E < +IJ 160 193D 43 -3,-0.9 -3,-2.2 -36,-0.2 2,-0.4 -0.704 49.1 173.8 -90.7 120.4 113.1 -44.7 151.0 197 203 A I E -IJ 159 192D 1 -38,-2.9 -38,-3.5 -2,-0.6 2,-0.7 -0.985 20.4-155.5-130.7 125.9 112.2 -44.3 154.7 198 204 A V E -IJ 158 191D 8 -7,-2.3 -7,-1.7 -2,-0.4 2,-1.1 -0.892 12.0-151.3-100.4 113.7 114.1 -45.4 157.8 199 205 A V E > -IJ 157 190D 4 -42,-3.4 -42,-1.1 -2,-0.7 3,-1.0 -0.736 23.3-135.3 -87.5 97.7 111.8 -46.0 160.7 200 206 A Y E 3 S+I 156 0D 70 -2,-1.1 -44,-0.3 -11,-1.1 3,-0.1 -0.195 75.7 21.2 -57.2 134.4 114.0 -45.2 163.7 201 207 A G T 3 S+ 0 0 72 -46,-1.4 -1,-0.2 1,-0.3 -45,-0.2 0.609 87.6 112.8 89.8 13.1 114.0 -47.5 166.7 202 208 A T < 0 0 23 -3,-1.0 -1,-0.3 -47,-0.1 -56,-0.0 -0.283 360.0 360.0 -92.6-168.4 112.6 -50.7 165.3 203 209 A R 0 0 97 -2,-0.1 69,-0.1 -58,-0.1 68,-0.1 0.568 360.0 360.0 73.8 360.0 114.7 -53.9 165.1 204 !* 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 0.0 205 249 B F 0 0 227 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.9 124.6 -66.9 174.2 206 250 B D - 0 0 85 1,-0.1 4,-0.0 0, 0.0 0, 0.0 -0.987 360.0-142.2-149.6 148.8 124.6 -69.3 171.2 207 251 B P S > S+ 0 0 94 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.852 98.4 52.7 -76.7 -38.0 127.0 -72.0 170.0 208 252 B I G > S+ 0 0 30 1,-0.2 3,-1.2 2,-0.2 26,-0.3 0.773 93.9 71.5 -73.1 -25.9 126.7 -71.4 166.2 209 253 B L G 3 S+ 0 0 16 1,-0.2 26,-1.1 25,-0.1 -1,-0.2 0.458 95.4 54.6 -71.6 -0.2 127.4 -67.7 166.4 210 254 B L G < S+ 0 0 109 -3,-1.0 -1,-0.2 24,-0.2 -2,-0.2 0.526 83.2 100.9-111.3 -9.4 131.1 -68.4 167.2 211 255 B R S < S- 0 0 125 -3,-1.2 23,-2.8 -4,-0.3 24,-0.3 -0.437 84.7 -95.5 -70.3 148.9 131.9 -70.6 164.2 212 256 B P B > -K 233 0E 55 0, 0.0 3,-1.3 0, 0.0 21,-0.3 -0.174 33.8-108.4 -60.0 160.6 133.8 -69.0 161.3 213 257 B V G > S+ 0 0 6 19,-2.7 3,-1.5 1,-0.2 4,-0.2 0.721 112.5 74.6 -63.1 -21.2 131.8 -67.6 158.4 214 258 B D G > S+ 0 0 86 18,-0.3 3,-2.3 1,-0.3 -1,-0.2 0.772 76.4 74.2 -65.6 -28.1 133.1 -70.5 156.2 215 259 B D G < S+ 0 0 57 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.502 87.6 65.8 -64.9 -1.9 130.8 -73.0 158.0 216 260 B L G < S- 0 0 8 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.601 99.9-136.9 -92.1 -14.9 128.0 -71.4 155.9 217 261 B E < + 0 0 172 -3,-2.3 -2,-0.1 -4,-0.2 2,-0.1 0.987 35.8 177.6 51.2 71.2 129.4 -72.7 152.6 218 262 B L - 0 0 35 1,-0.2 2,-0.1 -5,-0.2 -1,-0.1 -0.335 33.1 -86.4 -91.0 177.8 129.0 -69.5 150.6 219 263 B T > - 0 0 63 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.404 39.4-107.5 -79.3 163.1 130.0 -68.7 147.1 220 264 B V H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.875 120.2 55.6 -57.7 -37.6 133.5 -67.5 146.2 221 265 B R H > S+ 0 0 148 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.928 112.7 39.1 -62.7 -48.1 132.0 -64.1 145.5 222 266 B S H >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.917 113.5 55.2 -68.3 -46.0 130.3 -63.7 148.9 223 267 B A H 3X S+ 0 0 19 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.881 106.8 51.1 -54.8 -42.2 133.2 -65.3 150.8 224 268 B N H 3< S+ 0 0 101 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.748 108.0 52.4 -71.2 -24.8 135.7 -62.8 149.3 225 269 B C H X< S+ 0 0 9 -4,-0.8 3,-0.5 -3,-0.7 4,-0.2 0.908 109.4 47.5 -77.1 -44.3 133.6 -59.8 150.3 226 270 B L H ><>S+ 0 0 3 -4,-2.0 5,-2.5 1,-0.2 3,-1.5 0.914 109.9 52.8 -61.4 -44.8 133.2 -60.8 153.9 227 271 B K T 3<5S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.639 110.1 48.6 -70.9 -14.2 137.0 -61.5 154.3 228 272 B A T < 5S+ 0 0 84 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.341 111.0 51.2-102.2 2.6 137.7 -58.0 152.9 229 273 B E T < 5S- 0 0 66 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.270 117.8-110.4-115.9 4.1 135.2 -56.4 155.3 230 274 B A T 5 + 0 0 61 -4,-0.4 2,-0.8 1,-0.2 -3,-0.2 0.820 67.4 145.2 72.0 34.7 136.7 -58.1 158.4 231 275 B I < + 0 0 0 -5,-2.5 -1,-0.2 1,-0.2 -18,-0.1 -0.831 6.2 148.6-105.2 96.5 133.8 -60.5 159.0 232 276 B H + 0 0 103 -2,-0.8 -19,-2.7 1,-0.1 2,-0.3 0.835 55.2 51.8 -97.0 -40.0 135.4 -63.7 160.3 233 277 B Y B >> S-K 212 0E 121 -21,-0.3 3,-1.5 -20,-0.1 4,-1.3 -0.801 77.8-125.3-107.0 144.6 132.8 -65.2 162.7 234 278 B I H 3> S+ 0 0 0 -23,-2.8 4,-2.1 -2,-0.3 -24,-0.2 0.757 112.2 63.6 -53.0 -25.9 129.1 -65.9 162.1 235 279 B G H 3> S+ 0 0 0 -26,-1.1 4,-0.6 -24,-0.3 -1,-0.3 0.845 99.3 51.2 -69.7 -34.4 128.4 -63.7 165.1 236 280 B D H <> S+ 0 0 39 -3,-1.5 4,-0.9 -27,-0.2 3,-0.3 0.867 110.4 52.0 -66.0 -37.6 129.9 -60.7 163.4 237 281 B L H >< S+ 0 0 0 -4,-1.3 3,-1.7 1,-0.2 34,-0.4 0.978 102.2 53.4 -65.2 -59.9 127.7 -61.3 160.4 238 282 B V H 3< S+ 0 0 0 -4,-2.1 34,-2.3 1,-0.3 -1,-0.2 0.695 107.5 56.1 -54.0 -19.1 124.3 -61.5 162.1 239 283 B Q H 3< S+ 0 0 62 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.805 87.7 93.4 -82.6 -31.1 125.0 -58.2 163.8 240 284 B R S << S- 0 0 62 -3,-1.7 31,-2.4 -4,-0.9 32,-0.3 -0.325 77.3-124.5 -62.8 142.2 125.6 -56.4 160.4 241 285 B T > - 0 0 3 29,-0.2 4,-2.1 30,-0.1 5,-0.2 -0.577 12.7-121.5 -91.4 154.1 122.6 -54.7 158.9 242 286 B E H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -89,-0.2 0.916 112.5 48.0 -60.5 -48.8 121.2 -55.3 155.4 243 287 B V H > S+ 0 0 18 -91,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.843 111.3 53.7 -59.2 -35.2 121.5 -51.7 154.2 244 288 B E H >4 S+ 0 0 77 -92,-0.2 3,-0.7 1,-0.2 4,-0.5 0.901 107.6 49.0 -67.9 -43.2 125.1 -51.7 155.6 245 289 B L H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.873 100.3 63.8 -66.1 -40.1 126.1 -54.8 153.7 246 290 B L H 3< S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.3 5,-0.2 0.740 96.8 59.1 -58.4 -24.5 124.8 -53.7 150.3 247 291 B K T << S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.729 80.5 105.8 -76.5 -23.4 127.3 -50.8 150.3 248 292 B T S X S- 0 0 7 -3,-1.6 3,-1.4 -4,-0.5 -19,-0.1 -0.416 84.6-101.5 -64.9 127.2 130.3 -53.3 150.6 249 293 B P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.113 100.7 15.7 -53.4 138.9 132.1 -53.5 147.2 250 294 B N T 3 S+ 0 0 110 1,-0.1 2,-0.6 -3,-0.1 -25,-0.1 0.553 97.2 112.7 74.6 11.1 131.4 -56.5 145.0 251 295 B L < + 0 0 1 -3,-1.4 -1,-0.1 -5,-0.2 2,-0.1 -0.933 40.6 162.0-119.2 109.3 128.3 -57.5 146.9 252 296 B G >> - 0 0 32 -2,-0.6 4,-2.8 -3,-0.1 3,-0.6 -0.437 54.4 -67.4-117.1-171.4 125.0 -57.1 144.9 253 297 B K H 3> S+ 0 0 174 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.804 127.1 48.9 -49.0 -40.3 121.4 -58.3 145.0 254 298 B K H 3> S+ 0 0 186 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 115.4 41.8 -73.9 -37.7 122.2 -61.9 144.3 255 299 B S H <> S+ 0 0 10 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.919 114.4 51.5 -72.4 -45.6 124.9 -62.3 146.9 256 300 B L H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.882 112.3 48.4 -56.2 -39.7 123.0 -60.4 149.5 257 301 B T H X S+ 0 0 59 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.854 107.5 53.9 -71.1 -36.1 120.1 -62.7 148.8 258 302 B E H X S+ 0 0 49 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.893 110.4 48.4 -64.0 -39.5 122.2 -65.8 149.1 259 303 B I H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.921 110.2 48.6 -67.4 -47.0 123.4 -64.7 152.5 260 304 B K H X S+ 0 0 74 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.756 114.8 49.2 -64.0 -22.6 119.9 -63.9 153.8 261 305 B D H X S+ 0 0 103 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.789 108.7 48.8 -89.2 -30.9 118.8 -67.3 152.6 262 306 B V H < S+ 0 0 27 -4,-1.8 -2,-0.2 2,-0.2 6,-0.2 0.777 114.2 47.8 -78.5 -28.1 121.7 -69.4 154.1 263 307 B L H ><>S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.2 5,-1.0 0.877 108.6 53.9 -75.4 -40.4 121.1 -67.7 157.4 264 308 B A H ><5S+ 0 0 60 -4,-1.1 3,-1.4 1,-0.3 -2,-0.2 0.865 102.4 57.0 -62.6 -37.4 117.4 -68.2 157.3 265 309 B S T 3<5S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.578 110.2 48.3 -69.4 -8.4 117.9 -72.0 156.7 266 310 B R T < 5S- 0 0 88 -3,-1.3 2,-1.2 2,-0.2 -1,-0.3 -0.185 121.0-103.5-125.6 38.2 119.8 -71.9 160.0 267 311 B G T < 5S+ 0 0 74 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.016 89.4 102.7 73.2 -31.6 117.4 -70.0 162.1 268 312 B L < + 0 0 21 -2,-1.2 2,-0.3 -5,-1.0 -2,-0.2 -0.053 42.8 176.8 -81.6 178.7 119.4 -66.8 161.9 269 313 B S - 0 0 60 -3,-0.1 3,-0.4 -5,-0.0 2,-0.2 -0.892 33.5 -77.6-160.1-171.5 119.0 -63.5 160.0 270 314 B L S S+ 0 0 15 -2,-0.3 -29,-0.2 1,-0.2 -32,-0.1 -0.507 101.6 34.1 -96.7 168.8 120.6 -60.1 159.6 271 315 B G S S+ 0 0 4 -31,-2.4 -32,-0.2 -34,-0.4 -1,-0.2 0.661 78.4 162.9 63.0 16.1 120.4 -57.0 161.9 272 316 B M - 0 0 65 -34,-2.3 2,-0.6 -3,-0.4 -1,-0.2 -0.322 37.0-127.8 -63.6 151.0 120.2 -59.3 164.9 273 317 B R - 0 0 142 -3,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.899 31.4-175.7-113.1 111.1 120.9 -57.6 168.2 274 318 B L - 0 0 48 -2,-0.6 2,-0.3 -39,-0.1 3,-0.2 -0.680 13.8-149.7-110.0 158.7 123.5 -59.3 170.4 275 319 B E S S+ 0 0 169 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.860 71.7 26.0-122.1 157.7 125.0 -58.7 173.8 276 320 B N S S- 0 0 127 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.986 84.0-154.5 54.1 70.3 128.5 -59.5 175.2 277 321 B W 0 0 90 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.0 -0.991 360.0 360.0-133.6 130.1 130.5 -59.3 172.0 278 322 B P 0 0 153 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.895 360.0 360.0 -69.4 360.0 133.0 -60.6 171.5 279 !* 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 0.0 280 250 C D 0 0 144 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 147.4 -30.7 156.1 281 251 C P > + 0 0 95 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.849 360.0 52.8 -76.5 -37.9 149.7 -33.8 155.9 282 252 C I G > S+ 0 0 32 1,-0.2 3,-1.2 2,-0.2 26,-0.3 0.771 93.8 71.5 -73.1 -25.9 147.1 -36.4 154.6 283 253 C L G 3 S+ 0 0 15 1,-0.2 26,-1.1 25,-0.1 -1,-0.2 0.460 95.4 54.5 -71.7 -0.2 146.1 -34.2 151.6 284 254 C L G < S+ 0 0 110 -3,-1.0 -1,-0.2 24,-0.2 -2,-0.2 0.522 83.2 100.9-111.3 -9.4 149.4 -34.8 149.9 285 255 C R S < S- 0 0 123 -3,-1.2 23,-2.8 -4,-0.3 24,-0.3 -0.441 84.7 -95.4 -70.4 149.0 149.4 -38.6 149.9 286 256 C P B > -L 307 0F 57 0, 0.0 3,-1.3 0, 0.0 21,-0.3 -0.176 33.8-108.5 -60.1 160.5 148.4 -40.4 146.7 287 257 C V G > S+ 0 0 6 19,-2.7 3,-1.5 1,-0.2 4,-0.2 0.722 112.5 74.6 -63.2 -21.2 144.8 -41.5 146.2 288 258 C D G > S+ 0 0 85 18,-0.3 3,-2.3 1,-0.3 -1,-0.2 0.770 76.3 74.3 -65.6 -27.7 145.9 -45.1 146.6 289 259 C D G < S+ 0 0 56 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.504 87.6 65.8 -65.2 -2.0 146.4 -44.6 150.4 290 260 C L G < S- 0 0 7 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.600 99.9-136.9 -91.9 -14.7 142.6 -44.7 150.5 291 261 C E < + 0 0 177 -3,-2.3 -2,-0.1 -4,-0.2 -3,-0.1 0.987 35.9 177.5 51.0 71.0 142.4 -48.3 149.4 292 262 C L - 0 0 34 -5,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.326 33.1 -86.5 -90.3 177.9 139.6 -48.0 146.9 293 263 C T > - 0 0 32 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.410 39.3-107.4 -79.6 163.4 138.0 -50.6 144.7 294 264 C V H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 120.2 55.4 -58.0 -38.1 139.5 -51.3 141.2 295 265 C R H > S+ 0 0 148 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.928 112.7 39.1 -62.2 -48.4 136.4 -49.6 139.7 296 266 C S H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.913 113.5 55.3 -68.5 -45.0 136.9 -46.3 141.6 297 267 C A H 3X S+ 0 0 18 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.883 106.7 50.9 -55.7 -42.1 140.7 -46.4 141.3 298 268 C N H 3< S+ 0 0 100 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.749 108.0 52.4 -71.2 -25.1 140.5 -46.6 137.5 299 269 C C H X< S+ 0 0 9 -4,-0.9 3,-0.5 -3,-0.6 -1,-0.2 0.904 109.4 47.6 -76.7 -43.7 138.2 -43.7 137.2 300 270 C L H ><>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-1.5 0.914 109.9 52.7 -62.2 -44.6 140.3 -41.3 139.2 301 271 C K T 3<5S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.634 110.2 48.6 -70.9 -14.0 143.5 -42.2 137.3 302 272 C A T < 5S+ 0 0 85 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.339 111.0 51.2-102.5 2.6 141.7 -41.5 134.0 303 273 C E T < 5S- 0 0 66 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.268 117.9-110.4-116.0 4.3 140.5 -38.2 135.4 304 274 C A T 5 + 0 0 62 -4,-0.3 2,-0.8 1,-0.2 -3,-0.2 0.821 67.5 145.2 71.7 34.7 143.9 -37.1 136.5 305 275 C I < + 0 0 0 -5,-2.5 -1,-0.2 1,-0.2 -18,-0.1 -0.833 6.2 148.5-105.1 96.5 143.3 -37.3 140.2 306 276 C H + 0 0 101 -2,-0.8 -19,-2.7 1,-0.1 2,-0.3 0.837 55.3 51.9 -96.9 -40.5 146.6 -38.5 141.8 307 277 C Y B >> S-L 286 0F 121 -21,-0.3 3,-1.5 -20,-0.1 4,-1.3 -0.795 77.8-125.4-106.4 144.6 146.7 -36.9 145.2 308 278 C I H 3> S+ 0 0 0 -23,-2.8 4,-2.0 -2,-0.3 -24,-0.2 0.754 112.2 63.8 -53.5 -25.3 144.1 -36.9 147.9 309 279 C G H 3> S+ 0 0 0 -26,-1.1 4,-0.6 -24,-0.3 -1,-0.3 0.846 99.2 51.0 -69.4 -34.8 144.3 -33.2 147.8 310 280 C D H <> S+ 0 0 39 -3,-1.5 4,-0.9 -27,-0.2 3,-0.2 0.867 110.4 52.0 -66.5 -37.5 143.0 -33.1 144.3 311 281 C L H >< S+ 0 0 0 -4,-1.3 3,-1.7 1,-0.2 34,-0.4 0.976 102.2 53.3 -65.3 -59.6 140.1 -35.3 145.3 312 282 C V H 3< S+ 0 0 0 -4,-2.0 34,-2.3 1,-0.3 -1,-0.2 0.695 107.6 56.1 -54.3 -19.6 138.7 -33.4 148.3 313 283 C Q H 3< S+ 0 0 70 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.805 87.9 93.3 -81.8 -31.3 138.5 -30.3 146.0 314 284 C R S << S- 0 0 64 -3,-1.7 31,-2.4 -4,-0.9 32,-0.3 -0.330 77.3-124.5 -63.2 142.3 136.4 -32.0 143.4 315 285 C T > - 0 0 62 29,-0.2 4,-2.1 30,-0.1 5,-0.2 -0.576 12.8-121.4 -91.5 154.2 132.6 -31.5 143.8 316 286 C E H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.914 112.5 47.9 -60.7 -48.9 130.1 -34.4 144.1 317 287 C V H > S+ 0 0 102 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.840 111.4 53.9 -59.6 -34.6 128.0 -33.4 141.0 318 288 C E H >4 S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.900 107.5 49.0 -67.8 -43.3 131.2 -33.0 139.1 319 289 C L H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.871 100.4 63.7 -66.1 -40.3 132.4 -36.5 139.9 320 290 C L H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 5,-0.2 0.735 96.9 59.0 -58.4 -24.5 129.2 -38.3 139.0 321 291 C K T << S+ 0 0 173 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.724 80.6 105.8 -76.9 -23.8 129.7 -37.2 135.3 322 292 C T S X S- 0 0 9 -3,-1.6 3,-1.3 -4,-0.5 -19,-0.1 -0.423 84.8-101.2 -63.9 127.3 133.0 -39.0 135.1 323 293 C P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.113 100.8 15.5 -53.3 138.5 132.6 -42.2 133.0 324 294 C N T 3 S+ 0 0 119 1,-0.1 2,-0.5 -3,-0.1 -25,-0.1 0.557 97.5 112.6 74.6 11.5 132.3 -45.5 134.8 325 295 C L < + 0 0 9 -3,-1.3 -1,-0.1 -5,-0.2 2,-0.1 -0.935 40.5 161.3-119.8 109.4 131.5 -43.9 138.1 326 296 C G >> - 0 0 34 -2,-0.5 4,-2.9 -3,-0.1 3,-0.5 -0.438 54.8 -66.8-117.4-170.8 128.0 -44.5 139.5 327 297 C K H 3> S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.803 127.1 48.8 -48.9 -40.5 126.1 -44.3 142.8 328 298 C K H 3> S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 115.6 41.6 -74.2 -37.7 127.9 -47.2 144.4 329 299 C S H <> S+ 0 0 11 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.920 114.5 51.5 -72.8 -45.4 131.4 -45.9 143.7 330 300 C L H X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.878 112.4 48.4 -56.1 -39.4 130.5 -42.3 144.4 331 301 C T H X S+ 0 0 42 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.856 107.5 53.8 -71.2 -36.8 129.1 -43.6 147.7 332 302 C E H X S+ 0 0 31 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.892 110.5 48.3 -63.3 -39.4 132.2 -45.6 148.5 333 303 C I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.917 110.2 48.6 -68.0 -46.5 134.4 -42.6 148.0 334 304 C K H X S+ 0 0 72 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.755 114.8 49.2 -64.3 -22.7 132.3 -40.3 150.2 335 305 C D H X S+ 0 0 77 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.789 108.8 48.7 -89.0 -31.0 132.4 -43.0 152.8 336 306 C V H < S+ 0 0 27 -4,-1.8 -2,-0.2 2,-0.2 6,-0.2 0.772 114.2 47.8 -78.8 -27.6 136.2 -43.6 152.8 337 307 C L H ><>S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.2 5,-1.0 0.872 108.7 53.9 -75.8 -39.9 136.8 -39.9 153.1 338 308 C A H ><5S+ 0 0 61 -4,-1.1 3,-1.4 1,-0.3 -2,-0.2 0.865 102.4 56.9 -62.8 -37.6 134.3 -39.5 155.9 339 309 C S T 3<5S+ 0 0 96 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.577 110.3 48.2 -69.4 -8.4 136.1 -42.2 157.9 340 310 C R T < 5S- 0 0 90 -3,-1.3 2,-1.2 2,-0.2 -1,-0.3 -0.178 120.9-103.5-125.7 38.1 139.2 -40.1 157.6 341 311 C G T < 5S+ 0 0 73 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.015 89.4 102.4 73.6 -31.5 137.7 -36.7 158.6 342 312 C L < + 0 0 22 -2,-1.2 2,-0.3 -5,-1.0 -2,-0.2 -0.064 42.9 176.8 -82.4 178.5 137.5 -35.4 155.0 343 313 C S - 0 0 60 -3,-0.1 3,-0.4 -31,-0.1 2,-0.2 -0.889 33.6 -77.2-159.6-171.2 134.7 -35.0 152.5 344 314 C L S S+ 0 0 25 -2,-0.3 -29,-0.2 1,-0.2 -32,-0.1 -0.511 101.7 34.0 -96.6 168.6 134.1 -33.7 149.0 345 315 C G S S+ 0 0 39 -31,-2.4 -32,-0.2 -34,-0.4 -1,-0.2 0.662 78.3 163.1 63.4 16.0 133.7 -30.1 147.8 346 316 C M - 0 0 69 -34,-2.3 2,-0.6 -3,-0.4 -1,-0.2 -0.327 36.9-128.0 -63.7 150.8 136.3 -29.0 150.4 347 317 C R - 0 0 238 -3,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.899 31.4-175.8-112.7 110.8 137.7 -25.6 149.7 348 318 C L - 0 0 49 -2,-0.6 2,-0.3 -39,-0.1 3,-0.2 -0.682 13.9-149.8-109.8 158.6 141.6 -25.4 149.8 349 319 C E S S+ 0 0 170 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.858 71.6 26.1-122.0 157.7 144.2 -22.7 149.5 350 320 C N S S- 0 0 154 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.985 83.9-154.5 53.9 70.3 147.7 -22.8 148.1 351 321 C W 0 0 90 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.0 -0.991 360.0 360.0-133.6 130.2 147.4 -25.6 145.6 352 322 C P 0 0 151 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.894 360.0 360.0 -69.4 360.0 149.5 -27.3 144.7