==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-APR-13 4K8F . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, CRP/FNR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM; . AUTHOR M.KUCHINSKAS,H.LI,T.L.POULOS . 528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 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 . 139 26.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 1 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 1 3 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 . 0 4 4 3 8 1 2 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A P 0 0 68 0, 0.0 3,-0.1 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 161.7 35.6 49.1 37.5 2 3 A P - 0 0 64 0, 0.0 114,-0.1 0, 0.0 2,-0.1 -0.113 360.0 -93.5 -61.8 163.9 32.9 48.7 40.2 3 4 A R - 0 0 242 113,-0.1 2,-0.4 111,-0.0 110,-0.0 -0.395 40.7-149.2 -70.4 161.4 33.8 48.3 43.8 4 5 A F - 0 0 55 -2,-0.1 2,-0.6 106,-0.1 3,-0.1 -0.973 12.4-159.5-141.6 123.7 34.1 44.8 45.1 5 6 A N > - 0 0 90 -2,-0.4 3,-1.4 1,-0.1 4,-0.4 -0.912 12.1-153.4 -98.7 116.6 33.4 43.4 48.6 6 7 A I T >> S+ 0 0 24 -2,-0.6 4,-2.3 1,-0.3 3,-1.0 0.749 88.1 70.1 -65.9 -19.7 35.3 40.2 49.0 7 8 A A H 3> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.750 85.0 65.6 -70.4 -26.2 32.8 38.9 51.5 8 9 A N H <4 S+ 0 0 111 -3,-1.4 -1,-0.3 2,-0.2 4,-0.2 0.754 111.5 39.3 -64.5 -22.4 30.0 38.5 48.9 9 10 A V H X4 S+ 0 0 6 -3,-1.0 3,-0.7 -4,-0.4 6,-0.7 0.906 116.4 46.5 -89.6 -51.3 32.3 35.9 47.5 10 11 A L H 3< S+ 0 0 63 -4,-2.3 6,-0.2 1,-0.3 -2,-0.2 0.822 113.3 49.7 -63.2 -32.4 33.6 34.2 50.7 11 12 A L T 3< S+ 0 0 149 -4,-2.4 -1,-0.3 -5,-0.2 -3,-0.1 0.749 97.8 87.3 -76.7 -23.2 30.2 34.0 52.2 12 13 A S S <> S- 0 0 29 -3,-0.7 4,-2.4 -5,-0.3 3,-0.3 -0.422 88.8-117.7 -76.8 151.3 28.7 32.4 49.1 13 14 A P T 4 S+ 0 0 106 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.826 114.9 51.2 -59.2 -34.1 28.8 28.6 48.5 14 15 A D T 4 S+ 0 0 117 1,-0.1 3,-0.2 2,-0.1 -4,-0.1 0.871 117.7 38.2 -66.8 -36.6 31.0 29.1 45.4 15 16 A G T >4 S+ 0 0 0 -6,-0.7 3,-4.0 -3,-0.3 4,-0.2 0.882 87.4 85.1 -86.5 -41.2 33.5 31.2 47.2 16 17 A E T 3< S+ 0 0 131 -4,-2.4 3,-0.3 -7,-0.5 -1,-0.2 0.663 96.5 45.3 -41.8 -31.5 34.0 29.9 50.8 17 18 A T T > S+ 0 0 50 -4,-0.3 3,-2.2 -3,-0.2 -1,-0.3 0.532 81.2 108.9 -88.4 -7.2 36.7 27.4 49.7 18 19 A F T < S+ 0 0 4 -3,-4.0 -1,-0.2 1,-0.3 -2,-0.1 0.793 85.9 31.8 -47.0 -46.2 38.6 29.8 47.5 19 20 A F T > S+ 0 0 22 -3,-0.3 3,-3.3 -4,-0.2 -1,-0.3 0.416 81.4 142.5 -96.6 3.2 41.7 30.1 49.7 20 21 A R T < S+ 0 0 159 -3,-2.2 3,-0.1 1,-0.3 -3,-0.1 -0.167 78.6 9.4 -43.5 127.1 41.6 26.6 51.2 21 22 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 71,-0.0 2,-0.2 0.353 87.3 143.9 77.9 -6.7 45.3 25.6 51.5 22 23 A F < - 0 0 11 -3,-3.3 -1,-0.3 1,-0.1 70,-0.2 -0.483 56.6-112.6 -58.0 133.9 46.7 29.0 50.7 23 24 A R E -A 91 0A 177 68,-1.8 68,-2.2 -2,-0.2 2,-0.4 -0.234 26.8-131.0 -66.1 159.4 49.8 29.3 52.9 24 25 A S E +A 90 0A 67 66,-0.2 2,-0.3 -3,-0.1 66,-0.2 -0.942 25.1 177.9-117.7 138.6 49.9 31.9 55.6 25 26 A K E -A 89 0A 102 64,-2.5 64,-2.5 -2,-0.4 2,-0.4 -0.992 17.8-145.9-137.3 142.7 52.6 34.4 56.3 26 27 A I E -A 88 0A 73 -2,-0.3 2,-0.5 62,-0.2 62,-0.2 -0.937 12.0-154.4-109.9 137.5 53.1 37.2 58.8 27 28 A H E -A 87 0A 18 60,-2.9 60,-2.0 -2,-0.4 3,-0.1 -0.943 13.5-133.0-115.2 116.8 54.9 40.4 57.9 28 29 A A > - 0 0 62 -2,-0.5 3,-2.1 58,-0.2 55,-0.3 -0.298 40.3 -90.1 -59.9 143.8 56.6 42.5 60.6 29 30 A K T 3 S+ 0 0 157 1,-0.3 55,-0.2 55,-0.1 -1,-0.1 -0.229 116.1 22.4 -48.3 145.4 55.9 46.2 60.4 30 31 A G T 3 S+ 0 0 48 53,-2.6 -1,-0.3 1,-0.2 2,-0.1 0.265 96.7 128.1 77.9 -13.9 58.4 48.0 58.2 31 32 A S < - 0 0 38 -3,-2.1 52,-3.0 51,-0.1 2,-0.7 -0.458 62.9-116.3 -79.7 147.8 59.3 44.7 56.4 32 33 A L E -D 82 0B 86 50,-0.2 50,-0.3 1,-0.2 3,-0.2 -0.743 26.1-180.0 -87.3 110.4 59.2 44.4 52.6 33 34 A V E S+ 0 0 9 48,-1.6 2,-0.4 -2,-0.7 -1,-0.2 0.951 80.4 13.2 -64.2 -48.7 56.6 42.0 51.2 34 35 A C E -D 81 0B 1 47,-1.8 47,-2.9 -3,-0.1 -1,-0.3 -0.994 59.2-167.9-133.3 131.3 57.9 42.9 47.7 35 36 A T - 0 0 55 -2,-0.4 2,-1.2 45,-0.2 4,-0.4 -0.764 49.1 -99.2-100.0 163.0 60.9 44.6 46.3 36 37 A G S S+ 0 0 43 -2,-0.3 44,-0.1 42,-0.2 2,-0.1 0.143 102.5 50.0 -70.1 29.3 60.8 45.5 42.6 37 38 A E S S- 0 0 156 -2,-1.2 2,-1.0 42,-0.1 3,-0.4 0.011 109.9 -18.6-136.1-133.1 62.8 42.5 41.8 38 39 A G + 0 0 58 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.420 66.8 134.4 -97.9 57.0 63.2 38.7 42.4 39 40 A D S S- 0 0 48 -2,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.928 75.6-107.7 -61.8 -48.9 61.0 38.2 45.5 40 41 A E - 0 0 161 35,-0.5 -1,-0.3 -3,-0.4 2,-0.3 -0.959 39.4 -77.2 159.9-135.4 59.6 35.3 43.6 41 42 A N + 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.967 65.4 101.9-152.9 150.6 56.2 35.1 42.0 42 43 A G - 0 0 6 -2,-0.3 33,-2.2 51,-0.2 2,-0.3 -0.840 54.6-101.2 155.1 166.1 52.8 34.5 43.5 43 44 A V E -BC 74 92A 16 49,-3.0 49,-2.2 -2,-0.3 2,-0.3 -0.896 33.0-177.1-115.3 145.9 49.5 36.1 44.6 44 45 A F E -BC 73 91A 1 29,-2.6 29,-2.3 -2,-0.3 2,-0.4 -0.927 15.4-146.0-136.5 167.4 48.5 37.0 48.1 45 46 A V E -BC 72 90A 9 45,-2.3 45,-2.1 -2,-0.3 2,-0.5 -0.998 26.3-116.1-132.7 138.2 45.5 38.4 50.0 46 47 A V E + C 0 89A 2 25,-2.5 24,-3.6 -2,-0.4 43,-0.2 -0.636 27.5 179.3 -77.9 120.5 45.6 40.6 53.0 47 48 A V E S- 0 0 53 41,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.929 70.8 -27.2 -79.8 -59.4 43.9 38.9 56.0 48 49 A D E S+ C 0 88A 74 40,-1.0 40,-1.7 21,-0.1 -1,-0.4 -0.963 103.5 51.3-149.3 169.2 44.6 41.8 58.3 49 50 A G S S- 0 0 16 -2,-0.3 20,-0.5 38,-0.2 2,-0.3 -0.710 76.3 -85.4 103.5-156.5 47.0 44.7 58.8 50 51 A R - 0 0 80 35,-0.3 34,-2.8 -2,-0.3 35,-1.3 -0.959 29.7-166.0-160.4 134.1 48.1 47.2 56.1 51 52 A L E -EF 67 83B 0 16,-1.9 16,-2.6 -2,-0.3 2,-0.5 -0.929 14.7-137.7-124.5 148.8 50.6 47.4 53.3 52 53 A R E -EF 66 82B 25 30,-3.1 30,-2.0 -2,-0.3 2,-0.6 -0.908 9.5-158.4-110.0 129.3 51.9 50.3 51.2 53 54 A V E +EF 65 81B 0 12,-2.6 11,-2.9 -2,-0.5 12,-1.3 -0.926 31.0 147.2-107.1 121.7 52.5 50.0 47.5 54 55 A Y E -EF 63 80B 12 26,-2.1 26,-2.7 -2,-0.6 2,-0.2 -0.952 36.6-131.3-150.6 163.7 54.9 52.6 46.1 55 56 A L E -E 62 0B 5 7,-2.1 7,-2.5 -2,-0.3 2,-0.1 -0.744 16.3-159.4-114.0 165.2 57.5 53.3 43.5 56 57 A V + 0 0 68 -2,-0.2 5,-0.1 5,-0.2 207,-0.1 -0.262 22.2 144.8-121.7-148.9 61.0 54.9 43.7 57 58 A G S > S+ 0 0 13 -2,-0.1 3,-2.2 206,-0.1 -2,-0.0 0.047 74.3 30.9 113.0 135.2 63.4 56.6 41.3 58 59 A E T 3 S- 0 0 86 1,-0.3 3,-0.1 -2,-0.1 206,-0.0 0.763 133.0 -73.5 54.9 24.6 65.9 59.4 41.9 59 60 A E T 3 S+ 0 0 194 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.779 107.3 128.2 56.9 30.0 65.8 57.8 45.4 60 61 A R < - 0 0 161 -3,-2.2 2,-0.4 2,-0.0 -1,-0.2 -0.967 52.9-137.8-122.7 131.4 62.4 59.3 45.9 61 62 A E - 0 0 119 -2,-0.4 2,-0.5 -5,-0.1 -5,-0.2 -0.680 12.3-168.6 -89.1 132.3 59.2 57.3 47.0 62 63 A I E -E 55 0B 32 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.3 -0.974 18.4-138.8-115.9 115.9 55.8 57.8 45.4 63 64 A S E +E 54 0B 49 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.549 21.8 178.0 -69.4 130.3 52.9 56.2 47.3 64 65 A L E - 0 0 16 -11,-2.9 2,-0.3 1,-0.4 -10,-0.2 0.874 56.7 -50.5 -94.7 -58.6 50.4 54.6 44.9 65 66 A F E -E 53 0B 13 -12,-1.3 -12,-2.6 56,-0.0 -1,-0.4 -0.946 51.5 -99.9-166.4 178.2 47.8 53.1 47.3 66 67 A Y E -E 52 0B 83 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.853 17.5-142.4-117.8 150.0 47.4 50.9 50.3 67 68 A L E +E 51 0B 0 -16,-2.6 -16,-1.9 -2,-0.3 2,-0.2 -0.929 29.5 168.4-113.7 105.9 46.4 47.2 50.6 68 69 A T > - 0 0 66 -2,-0.6 3,-2.0 -18,-0.2 -22,-0.3 -0.430 48.9 -35.9-105.6-170.9 44.1 46.5 53.6 69 70 A S T 3 S+ 0 0 75 -20,-0.5 -22,-0.2 1,-0.3 -1,-0.2 -0.133 127.1 17.6 -60.9 127.0 42.1 43.4 54.5 70 71 A G T 3 S+ 0 0 16 -24,-3.6 -1,-0.3 1,-0.4 2,-0.2 0.281 92.4 129.9 97.6 -9.1 40.5 41.5 51.6 71 72 A D < - 0 0 28 -3,-2.0 -25,-2.5 -25,-0.2 2,-0.4 -0.569 46.5-146.3 -82.9 142.4 42.8 43.1 49.0 72 73 A M E +B 45 0A 4 38,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.872 26.1 155.7-106.7 140.2 44.6 41.0 46.5 73 74 A F E -B 44 0A 18 -29,-2.3 -29,-2.6 -2,-0.4 2,-0.3 -0.920 26.5-123.9-147.8 178.7 48.0 41.7 45.0 74 75 A C E -B 43 0A 18 -2,-0.3 3,-0.3 -31,-0.2 -31,-0.2 -0.777 17.3-126.6-126.3 174.6 51.0 39.9 43.5 75 76 A M S S+ 0 0 38 -33,-2.2 -35,-0.5 -2,-0.3 -36,-0.4 0.255 100.6 56.0 -97.5 10.2 54.8 39.5 43.8 76 77 A H + 0 0 81 -34,-0.2 -1,-0.2 -37,-0.1 -33,-0.0 0.229 64.7 100.3-134.9 13.9 55.6 40.5 40.3 77 78 A S S S- 0 0 35 -3,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.731 86.0-123.5 -73.1 -22.9 54.2 44.0 39.5 78 79 A G S S+ 0 0 35 1,-0.4 2,-0.2 -43,-0.2 -42,-0.2 0.564 72.4 124.5 83.3 8.0 57.6 45.5 40.1 79 80 A C - 0 0 5 -44,-0.1 -1,-0.4 -24,-0.1 2,-0.4 -0.612 66.2-110.0 -87.8 161.8 56.1 47.8 42.7 80 81 A L E - F 0 54B 21 -26,-2.7 -26,-2.1 -2,-0.2 2,-0.5 -0.748 30.5-168.0 -91.4 138.5 57.5 48.0 46.2 81 82 A V E +DF 34 53B 0 -47,-2.9 -47,-1.8 -2,-0.4 -48,-1.6 -0.975 9.9 171.8-131.6 118.9 55.3 46.6 49.0 82 83 A E E -DF 32 52B 39 -30,-2.0 -30,-3.1 -2,-0.5 2,-0.3 -0.973 33.5-116.5-128.3 143.4 56.1 47.2 52.6 83 84 A A E - F 0 51B 1 -52,-3.0 -53,-2.6 -2,-0.4 -32,-0.2 -0.579 21.6-176.6 -76.4 134.3 54.1 46.5 55.8 84 85 A T S S+ 0 0 32 -34,-2.8 2,-0.3 -2,-0.3 -33,-0.2 0.515 79.9 19.8-105.9 -15.1 53.0 49.6 57.7 85 86 A E S S- 0 0 91 -35,-1.3 2,-0.4 -57,-0.1 -35,-0.3 -0.916 107.8 -78.4-135.1 164.2 51.5 47.4 60.4 86 87 A R - 0 0 151 -2,-0.3 2,-0.4 -57,-0.1 -58,-0.2 -0.568 65.9-176.7 -56.9 119.4 52.1 43.8 61.3 87 88 A T E -A 27 0A 0 -60,-2.0 -60,-2.9 -2,-0.4 2,-0.4 -0.979 22.7-144.3-130.3 142.4 50.0 42.2 58.5 88 89 A E E -AC 26 48A 43 -40,-1.7 -41,-2.8 -2,-0.4 -40,-1.0 -0.870 18.5-173.9-102.7 138.0 49.0 38.6 57.7 89 90 A V E -AC 25 46A 4 -64,-2.5 -64,-2.5 -2,-0.4 2,-0.4 -0.915 21.2-142.1-120.6 151.6 48.7 37.4 54.1 90 91 A R E -AC 24 45A 81 -45,-2.1 -45,-2.3 -2,-0.3 2,-0.3 -0.953 34.7-175.9-100.9 137.5 47.5 34.2 52.5 91 92 A F E +AC 23 44A 69 -68,-2.2 -68,-1.8 -2,-0.4 2,-0.3 -0.933 19.5 164.6-134.5 157.6 49.6 33.3 49.5 92 93 A A E - C 0 43A 13 -49,-2.2 -49,-3.0 -2,-0.3 -70,-0.1 -0.963 42.6 -86.0-160.3 160.7 50.0 30.8 46.6 93 94 A D > - 0 0 86 -2,-0.3 4,-1.9 -51,-0.3 -51,-0.2 -0.200 47.2 -99.2 -68.4 165.5 51.8 30.7 43.3 94 95 A I H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 118.9 53.7 -49.7 -38.8 50.3 32.1 40.1 95 96 A R H > S+ 0 0 163 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 106.2 46.4 -74.6 -50.2 49.1 28.7 38.9 96 97 A T H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 114.2 51.9 -52.6 -45.8 47.1 27.6 41.9 97 98 A F H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.899 107.0 51.1 -61.8 -44.5 45.5 31.0 42.0 98 99 A E H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.930 110.0 52.4 -53.5 -48.2 44.6 30.8 38.3 99 100 A Q H X S+ 0 0 126 -4,-2.5 4,-1.4 1,-0.2 3,-0.4 0.957 109.6 46.6 -53.4 -57.9 43.0 27.4 39.1 100 101 A K H X S+ 0 0 30 -4,-2.6 4,-1.3 1,-0.2 3,-0.4 0.896 109.1 57.0 -54.0 -43.9 40.9 28.7 41.9 101 102 A L H < S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.888 106.0 47.5 -55.1 -45.7 39.8 31.7 39.8 102 103 A Q H < S+ 0 0 123 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.755 111.7 51.3 -72.3 -23.7 38.4 29.6 37.0 103 104 A T H < S+ 0 0 103 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.650 127.2 24.2 -83.2 -17.9 36.5 27.5 39.5 104 105 A C >< + 0 0 2 -4,-1.3 3,-1.4 -3,-0.3 -1,-0.3 -0.599 69.3 171.2-146.0 80.9 35.0 30.6 41.1 105 106 A P G > S+ 0 0 47 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.705 72.0 73.4 -67.6 -23.7 35.0 33.4 38.5 106 107 A S G > S+ 0 0 49 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.825 89.9 61.3 -59.6 -28.9 33.0 35.7 40.7 107 108 A M G X> S+ 0 0 0 -3,-1.4 3,-0.7 1,-0.2 4,-0.6 0.586 85.6 78.3 -73.5 -9.2 36.2 36.1 42.7 108 109 A A H <> S+ 0 0 3 -3,-2.2 4,-2.3 -7,-0.2 3,-0.4 0.751 79.3 68.2 -69.8 -23.9 37.8 37.6 39.5 109 110 A W H <> S+ 0 0 46 -3,-1.2 4,-2.9 -4,-0.4 -1,-0.2 0.766 92.0 60.7 -68.0 -20.7 36.1 40.9 40.2 110 111 A G H <> S+ 0 0 7 -3,-0.7 4,-1.9 -4,-0.3 -38,-0.3 0.866 106.4 45.3 -70.5 -34.2 38.3 41.4 43.2 111 112 A L H X S+ 0 0 31 -4,-0.6 4,-1.6 -3,-0.4 -2,-0.2 0.919 112.6 51.0 -74.8 -44.7 41.3 41.3 40.9 112 113 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 110.7 50.1 -51.6 -47.8 39.5 43.6 38.5 113 114 A A H X S+ 0 0 22 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.905 108.2 50.8 -64.2 -40.3 38.8 46.0 41.4 114 115 A I H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.814 111.9 47.7 -72.2 -26.4 42.4 46.1 42.7 115 116 A L H X S+ 0 0 14 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.876 110.8 51.8 -77.1 -40.0 43.7 46.9 39.2 116 117 A G H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.933 111.6 47.5 -55.5 -47.7 41.1 49.6 38.8 117 118 A R H X S+ 0 0 76 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.941 114.4 44.4 -65.0 -47.8 42.2 51.1 42.1 118 119 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.797 114.1 53.2 -65.9 -30.3 45.9 50.9 41.3 119 120 A L H X S+ 0 0 19 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.963 106.9 47.8 -66.2 -54.5 45.2 52.3 37.8 120 121 A T H X S+ 0 0 72 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.854 111.8 54.0 -58.4 -33.8 43.2 55.4 38.9 121 122 A S H X S+ 0 0 21 -4,-1.6 4,-3.2 -5,-0.2 -1,-0.2 0.981 108.0 46.4 -62.5 -59.4 46.0 56.1 41.4 122 123 A C H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.892 112.7 51.3 -51.1 -45.2 48.8 56.1 38.9 123 124 A M H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 112.4 44.8 -61.2 -44.2 46.7 58.3 36.5 124 125 A R H X S+ 0 0 135 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.883 112.6 53.6 -66.8 -37.3 46.1 60.8 39.3 125 126 A T H X S+ 0 0 19 -4,-3.2 4,-1.7 2,-0.2 3,-0.5 0.944 108.1 49.7 -56.1 -51.8 49.7 60.6 40.2 126 127 A I H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 3,-0.2 0.908 105.9 55.3 -57.8 -45.3 50.7 61.3 36.6 127 128 A E H >X S+ 0 0 72 -4,-2.3 4,-1.0 1,-0.2 3,-0.5 0.861 110.5 48.5 -52.4 -35.5 48.4 64.4 36.4 128 129 A D H 3< S+ 0 0 108 -4,-1.3 4,-0.4 -3,-0.5 -1,-0.2 0.801 102.6 57.9 -82.3 -31.4 50.2 65.7 39.5 129 130 A L H 3< S+ 0 0 52 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.527 111.2 47.4 -72.5 -6.2 53.7 65.1 38.2 130 131 A M H << S+ 0 0 28 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.706 91.6 74.6-104.2 -27.5 52.7 67.4 35.3 131 132 A H < 0 0 153 -4,-1.0 -2,-0.1 1,-0.2 -3,-0.1 0.563 360.0 360.0 -73.5 -8.2 51.1 70.3 37.1 132 133 A H 0 0 201 -4,-0.4 -1,-0.2 59,-0.0 -2,-0.1 0.883 360.0 360.0 -82.2 360.0 54.5 71.5 38.2 133 !* 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 0.0 134 2 B P 0 0 70 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 169.3 47.9 39.4 34.9 135 3 B P - 0 0 46 0, 0.0 114,-0.1 0, 0.0 2,-0.1 -0.347 360.0 -98.7 -74.5 153.1 48.0 36.7 32.3 136 4 B R - 0 0 251 -2,-0.1 2,-0.4 1,-0.0 107,-0.1 -0.387 39.7-147.3 -65.9 148.1 47.7 37.4 28.6 137 5 B F - 0 0 54 -2,-0.1 2,-0.6 106,-0.1 3,-0.1 -0.979 12.7-160.2-128.4 129.2 44.2 37.0 27.1 138 6 B N >> - 0 0 89 -2,-0.4 3,-1.5 1,-0.1 4,-0.6 -0.928 6.9-159.3-109.2 110.4 43.1 35.9 23.7 139 7 B I H >> S+ 0 0 23 -2,-0.6 4,-2.5 1,-0.3 3,-0.5 0.738 87.4 68.3 -63.0 -22.8 39.6 37.0 23.0 140 8 B A H 3> S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.862 87.7 66.7 -62.8 -35.1 39.2 34.3 20.2 141 9 B N H <> S+ 0 0 109 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.911 111.9 34.2 -52.4 -40.4 39.3 31.6 22.9 142 10 B V H X< S+ 0 0 8 -4,-0.6 3,-1.0 -3,-0.5 6,-0.8 0.964 114.1 53.8 -80.0 -55.2 36.0 33.0 24.2 143 11 B L H 3< S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.735 112.1 48.0 -53.3 -25.7 34.3 34.1 20.9 144 12 B L H 3< S+ 0 0 144 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.719 94.3 93.6 -89.0 -23.3 34.9 30.6 19.5 145 13 B S S XX S- 0 0 30 -3,-1.0 4,-1.3 -4,-0.6 3,-0.6 -0.433 82.9-128.8 -62.3 139.6 33.5 29.0 22.7 146 14 B P T 34 S+ 0 0 104 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.895 110.4 61.7 -51.7 -39.0 29.8 28.1 22.7 147 15 B D T 34 S+ 0 0 126 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.852 119.2 19.6 -52.8 -43.0 29.8 30.0 26.0 148 16 B G T X4 S+ 0 0 0 -6,-0.8 3,-2.0 -3,-0.6 4,-0.2 0.369 85.8 106.7-118.0 7.6 30.9 33.3 24.5 149 17 B E T 3< S+ 0 0 128 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.1 0.796 90.4 42.1 -64.5 -25.3 30.2 33.3 20.8 150 18 B T T > S+ 0 0 57 -4,-0.3 3,-3.3 1,-0.2 -1,-0.3 0.340 77.8 119.7 -98.9 3.4 27.3 35.7 21.2 151 19 B F T < S+ 0 0 4 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.792 81.1 37.9 -46.0 -43.2 28.9 38.0 23.7 152 20 B F T > S+ 0 0 22 -3,-0.3 3,-2.5 -4,-0.2 -1,-0.3 0.267 81.6 142.7 -95.4 12.3 28.7 41.1 21.5 153 21 B R T < S+ 0 0 176 -3,-3.3 3,-0.1 1,-0.3 -3,-0.1 -0.295 77.4 10.8 -49.6 131.6 25.3 40.3 20.1 154 22 B G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 71,-0.0 -2,-0.1 0.212 90.5 136.9 78.2 -14.9 23.4 43.5 19.8 155 23 B F < - 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0 0 192 -3,-2.0 -3,-0.4 2,-0.0 2,-0.2 -0.868 48.0-154.3-132.9 100.8 51.3 68.7 27.4 194 62 B E - 0 0 111 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.484 11.6-167.5 -66.4 139.5 49.9 65.5 25.9 195 63 B I E -K 188 0D 41 -7,-1.9 -7,-1.8 -2,-0.2 2,-0.2 -0.965 12.9-138.7-134.3 122.9 51.3 62.3 27.2 196 64 B S E +K 187 0D 42 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.541 21.5 174.3 -78.7 139.5 50.8 58.9 25.6 197 65 B L E - 0 0 15 -11,-2.9 2,-0.3 1,-0.5 -10,-0.2 0.808 57.0 -47.0-106.5 -58.2 50.2 55.9 27.9 198 66 B F E -K 186 0D 11 -12,-1.0 -12,-2.6 57,-0.0 -1,-0.5 -0.936 52.5-105.8-166.1-178.1 49.4 52.9 25.6 199 67 B Y E -K 185 0D 73 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.812 14.4-138.5-127.2 161.9 47.4 51.8 22.6 200 68 B L E +K 184 0D 0 -16,-2.4 -16,-2.3 -2,-0.3 2,-0.2 -0.965 27.8 169.2-120.9 136.7 44.3 49.7 21.9 201 69 B T E > -K 183 0D 60 -2,-0.4 3,-2.9 -18,-0.2 -22,-0.3 -0.767 47.3 -28.8-138.8-176.2 44.1 47.3 18.9 202 70 B S T 3 S+ 0 0 77 -20,-0.5 -22,-0.2 1,-0.3 -1,-0.2 -0.011 128.5 10.4 -42.7 130.3 42.0 44.5 17.6 203 71 B G T 3 S+ 0 0 17 -24,-2.9 -1,-0.3 1,-0.2 2,-0.1 0.149 92.9 131.5 87.0 -17.2 40.2 42.7 20.5 204 72 B D < - 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L 0 184D 0 -52,-2.8 -53,-4.5 -2,-0.4 -32,-0.2 -0.685 18.7-170.2 -81.3 119.3 42.1 56.9 16.5 217 85 B T S S+ 0 0 37 -34,-2.3 2,-0.3 -2,-0.5 -33,-0.2 0.555 78.2 5.5 -86.5 -9.7 45.6 56.8 14.9 218 86 B E S S- 0 0 88 -35,-0.9 -35,-0.4 -54,-0.1 2,-0.3 -0.934 110.7 -55.6-156.2 174.6 44.1 55.0 12.0 219 87 B R - 0 0 125 -2,-0.3 2,-0.4 -37,-0.1 -58,-0.2 -0.440 64.5-176.3 -61.2 120.9 40.6 54.0 10.8 220 88 B T E -G 160 0C 0 -60,-2.3 -60,-2.4 -2,-0.3 2,-0.5 -0.983 19.7-153.5-130.8 126.0 39.3 52.0 13.7 221 89 B E E -GI 159 181C 51 -40,-2.3 -41,-3.4 -2,-0.4 -40,-1.3 -0.862 20.4-174.7 -97.4 130.3 36.0 50.1 13.9 222 90 B V E -GI 158 179C 4 -64,-2.6 -64,-2.4 -2,-0.5 2,-0.4 -0.881 21.2-143.6-120.6 156.1 34.5 49.6 17.4 223 91 B R E +GI 157 178C 76 -45,-2.1 -45,-2.4 -2,-0.3 2,-0.3 -0.965 31.6 177.7-109.4 135.3 31.6 47.7 19.0 224 92 B F E +GI 156 177C 66 -68,-2.5 -68,-3.0 -2,-0.4 2,-0.3 -0.936 20.2 154.6-140.0 158.1 29.9 49.5 21.9 225 93 B A E - I 0 176C 23 -49,-1.8 -49,-1.6 -2,-0.3 2,-0.2 -0.858 47.9 -77.5-157.4-171.0 27.1 49.3 24.4 226 94 B D > - 0 0 45 -2,-0.3 4,-2.3 -51,-0.2 3,-0.4 -0.633 42.7-101.7-101.3 159.5 26.5 50.8 27.9 227 95 B I H > S+ 0 0 51 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.859 119.7 55.1 -42.4 -50.1 28.0 49.6 31.2 228 96 B R H > S+ 0 0 161 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 110.2 44.3 -49.7 -55.8 24.7 47.9 32.2 229 97 B T H > S+ 0 0 38 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.875 112.7 52.3 -62.0 -40.3 24.6 45.7 29.0 230 98 B F H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.942 108.1 51.9 -59.0 -48.7 28.3 44.9 29.3 231 99 B E H X S+ 0 0 78 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.941 108.3 50.6 -52.2 -54.0 27.8 43.8 32.9 232 100 B Q H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.939 110.6 48.5 -51.0 -54.2 24.9 41.5 32.0 233 101 B K H X S+ 0 0 41 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.875 112.2 51.0 -55.5 -40.8 27.0 39.9 29.2 234 102 B L H < S+ 0 0 4 -4,-2.7 3,-0.5 2,-0.2 -1,-0.2 0.891 106.3 53.0 -61.9 -42.1 29.8 39.5 31.8 235 103 B Q H < S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 113.7 45.2 -59.5 -37.9 27.5 37.8 34.3 236 104 B T H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.646 125.4 29.6 -80.7 -18.6 26.5 35.4 31.6 237 105 B C >< + 0 0 4 -4,-1.0 3,-2.4 -3,-0.5 4,-0.3 -0.451 63.8 174.3-147.2 67.5 30.1 34.7 30.4 238 106 B P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.724 72.8 72.2 -49.5 -36.8 32.7 35.1 33.2 239 107 B S G > S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.787 89.2 63.5 -53.1 -28.1 35.6 34.0 31.0 240 108 B M G X> S+ 0 0 0 -3,-2.4 3,-1.7 1,-0.3 4,-0.6 0.746 82.3 77.1 -73.1 -22.6 35.4 37.3 29.2 241 109 B A H X> S+ 0 0 3 -3,-1.9 4,-2.5 -4,-0.3 3,-0.9 0.765 80.1 72.8 -54.9 -23.3 36.3 39.2 32.3 242 110 B W H <> S+ 0 0 33 -3,-1.3 4,-2.6 -4,-0.4 -1,-0.3 0.838 90.5 56.1 -64.4 -29.4 39.9 38.1 31.7 243 111 B G H <> S+ 0 0 4 -3,-1.7 4,-2.1 -4,-0.2 -38,-0.4 0.724 107.1 50.0 -71.1 -21.8 40.1 40.5 28.8 244 112 B L H < S+ 0 0 106 -4,-4.0 3,-1.8 -5,-0.2 -2,-0.2 0.996 106.1 56.1 -65.1 -70.1 60.1 57.9 33.2 262 130 B L H 3< S+ 0 0 51 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.618 106.6 55.9 -40.8 -17.8 58.6 61.2 34.2 263 131 B M H 3< S+ 0 0 22 -4,-1.3 2,-2.9 1,-0.2 -1,-0.3 0.853 88.8 66.9 -90.8 -37.3 60.9 61.1 37.3 264 132 B H << 0 0 121 -3,-1.8 -1,-0.2 -4,-1.0 -2,-0.1 -0.411 360.0 360.0 -77.1 65.0 64.3 60.7 35.6 265 133 B H 0 0 189 -2,-2.9 -2,-0.1 -3,-0.2 -3,-0.1 -0.475 360.0 360.0-171.6 360.0 63.5 64.2 34.4 266 !* 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 0.0 267 2 C P 0 0 64 0, 0.0 3,-0.1 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 164.2 -4.2 12.8 35.8 268 3 C P - 0 0 61 0, 0.0 114,-0.1 0, 0.0 2,-0.0 -0.152 360.0 -95.0 -64.3 157.3 -6.5 11.4 38.6 269 4 C R - 0 0 247 1,-0.0 2,-0.4 2,-0.0 110,-0.0 -0.289 43.2-143.3 -62.4 159.9 -5.8 11.8 42.3 270 5 C F - 0 0 55 -3,-0.1 2,-0.8 106,-0.1 3,-0.1 -0.980 16.3-163.9-137.6 123.3 -4.0 8.9 43.8 271 6 C N >> - 0 0 86 -2,-0.4 3,-1.9 1,-0.1 4,-0.5 -0.850 6.4-163.2-105.5 100.0 -4.4 7.3 47.2 272 7 C I H >> S+ 0 0 22 -2,-0.8 4,-2.1 1,-0.3 3,-0.9 0.721 84.8 73.0 -55.8 -19.8 -1.3 5.2 47.8 273 8 C A H 3> S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.904 87.8 62.0 -60.5 -40.8 -3.2 3.4 50.6 274 9 C N H <4 S+ 0 0 109 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.767 110.8 39.7 -52.1 -30.3 -5.3 1.7 47.9 275 10 C V H << S+ 0 0 8 -3,-0.9 6,-0.8 -4,-0.5 -1,-0.2 0.823 114.5 49.7 -92.4 -35.8 -2.2 0.0 46.6 276 11 C L H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.838 109.1 52.4 -74.2 -34.8 -0.4 -0.7 49.9 277 12 C L S < S+ 0 0 147 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 0.687 95.2 91.4 -71.7 -18.8 -3.5 -2.4 51.4 278 13 C S S > S- 0 0 26 -5,-0.3 4,-1.7 -3,-0.2 3,-0.2 -0.474 87.5-121.0 -80.9 149.9 -3.8 -4.7 48.4 279 14 C P T 4 S+ 0 0 108 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.789 113.2 56.3 -59.9 -22.4 -2.1 -8.1 48.3 280 15 C D T 4 S+ 0 0 106 1,-0.1 3,-0.3 2,-0.1 -4,-0.1 0.932 117.7 26.7 -66.5 -52.3 -0.2 -6.7 45.2 281 16 C G T >4 S+ 0 0 0 -6,-0.8 3,-1.4 -3,-0.2 4,-0.3 0.401 89.9 95.2-103.1 1.0 1.4 -3.6 46.7 282 17 C E T 3< S+ 0 0 130 -4,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.843 95.5 42.2 -58.2 -31.6 1.7 -4.5 50.4 283 18 C T T > S+ 0 0 51 -3,-0.3 3,-2.4 -4,-0.3 -1,-0.3 0.432 83.4 112.8 -93.2 -0.8 5.3 -5.6 49.7 284 19 C F T < S+ 0 0 5 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.832 81.6 34.0 -48.4 -55.7 6.1 -2.7 47.4 285 20 C F T > S+ 0 0 21 -4,-0.3 3,-2.0 -3,-0.2 -1,-0.3 0.192 81.4 137.2 -90.1 14.6 8.7 -0.9 49.5 286 21 C R T < S+ 0 0 174 -3,-2.4 3,-0.1 1,-0.3 -3,-0.1 -0.450 75.7 19.3 -62.3 127.1 10.2 -4.0 51.1 287 22 C G T 3 S+ 0 0 72 1,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.280 88.0 134.7 91.6 -12.0 14.0 -3.6 51.1 288 23 C F < - 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