==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 03-SEP-08 3EDO . COMPND 2 MOLECULE: PUTATIVE TRP REPRESSOR BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS NCFM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 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 0.7 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 1 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 2 2 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 0 A G 0 0 120 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-159.7 25.5 32.4 29.7 2 1 A X - 0 0 98 1,-0.1 3,-0.0 149,-0.1 0, 0.0 -0.336 360.0 -92.1 -62.9 144.5 25.7 36.1 30.6 3 2 A A - 0 0 95 1,-0.1 2,-0.6 148,-0.0 -1,-0.1 -0.295 45.5-111.0 -55.5 139.6 24.6 38.6 27.9 4 3 A K - 0 0 33 146,-0.5 2,-0.5 -3,-0.1 -1,-0.1 -0.650 20.9-131.7 -78.9 118.9 27.5 39.7 25.8 5 4 A K - 0 0 86 -2,-0.6 73,-2.2 26,-0.1 74,-1.9 -0.617 38.3-157.3 -69.2 120.2 28.4 43.3 26.3 6 5 A T E -a 79 0A 5 -2,-0.5 26,-2.1 23,-0.3 2,-0.4 -0.866 24.6-167.9-120.5 132.6 28.6 44.4 22.7 7 6 A L E -ab 80 32A 0 72,-2.2 74,-3.0 -2,-0.4 2,-0.5 -0.957 11.8-155.5-110.1 137.7 30.3 47.2 20.8 8 7 A I E +ab 81 33A 0 24,-3.0 26,-2.8 -2,-0.4 2,-0.4 -0.973 15.1 178.5-115.4 118.3 29.4 47.9 17.2 9 8 A L E +ab 82 34A 0 72,-3.1 74,-2.9 -2,-0.5 2,-0.3 -0.912 7.7 173.3-115.3 144.4 32.1 49.7 15.1 10 9 A Y E -ab 83 35A 8 24,-1.2 26,-3.2 -2,-0.4 2,-0.4 -0.998 28.2-152.9-151.9 150.6 31.7 50.5 11.4 11 10 A Y - 0 0 13 72,-2.1 2,-0.4 -2,-0.3 81,-0.1 -0.984 21.6-177.9-114.0 137.0 33.2 52.3 8.4 12 11 A S - 0 0 16 24,-0.4 -2,-0.0 -2,-0.4 72,-0.0 -0.982 17.9-179.8-139.9 122.2 30.7 53.5 5.7 13 12 A W S S+ 0 0 78 -2,-0.4 -1,-0.1 1,-0.1 30,-0.0 0.879 92.1 18.9 -86.0 -44.0 31.7 55.2 2.5 14 13 A S S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.166 111.1-103.2-116.1 16.4 28.2 55.7 1.1 15 14 A G S > S+ 0 0 28 1,-0.0 4,-1.9 4,-0.0 5,-0.1 0.276 91.8 106.7 90.5 -11.5 26.0 55.3 4.2 16 15 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.926 82.8 45.7 -70.0 -45.4 24.6 51.8 3.8 17 16 A T H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.848 109.3 57.8 -65.6 -34.2 26.8 50.1 6.4 18 17 A K H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.943 107.2 47.3 -59.0 -47.4 26.0 53.0 8.8 19 18 A K H X S+ 0 0 117 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.922 113.5 48.4 -60.2 -42.2 22.2 52.3 8.4 20 19 A X H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.902 109.8 51.2 -65.2 -40.8 22.9 48.6 9.0 21 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.898 109.7 50.7 -62.4 -39.5 25.0 49.3 12.1 22 21 A E H X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.903 110.3 50.0 -63.4 -42.8 22.2 51.5 13.4 23 22 A K H X S+ 0 0 106 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.929 111.4 47.6 -62.1 -46.0 19.7 48.6 12.8 24 23 A I H >X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.7 0.912 108.0 56.4 -63.9 -40.0 22.0 46.1 14.6 25 24 A N H >< S+ 0 0 53 -4,-2.6 3,-0.5 1,-0.3 6,-0.4 0.928 107.0 49.5 -54.6 -43.1 22.4 48.6 17.5 26 25 A S H 3< S+ 0 0 98 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.738 110.9 51.2 -68.0 -24.2 18.6 48.6 17.8 27 26 A E H << S+ 0 0 76 -4,-1.1 2,-0.7 -3,-0.7 -1,-0.2 0.685 100.3 66.4 -84.8 -25.1 18.6 44.8 17.9 28 27 A I S X< S- 0 0 23 -4,-1.4 3,-2.0 -3,-0.5 -1,-0.1 -0.883 86.4-126.1-111.7 109.6 21.2 44.2 20.6 29 28 A K T 3 S- 0 0 129 -2,-0.7 -23,-0.3 1,-0.3 -3,-0.1 -0.248 88.8 -0.3 -56.2 131.7 20.2 45.4 24.0 30 29 A D T 3 S+ 0 0 139 1,-0.2 -1,-0.3 -25,-0.1 -4,-0.1 0.534 92.3 152.8 65.6 12.2 22.7 47.8 25.7 31 30 A S < - 0 0 14 -3,-2.0 2,-0.4 -6,-0.4 -1,-0.2 -0.338 38.0-136.6 -68.6 149.4 25.0 47.7 22.7 32 31 A E E -b 7 0A 77 -26,-2.1 -24,-3.0 2,-0.0 2,-0.4 -0.876 12.6-151.8-107.2 145.2 27.2 50.7 22.0 33 32 A L E +b 8 0A 48 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.978 17.1 171.9-124.0 127.7 27.7 52.2 18.5 34 33 A K E -b 9 0A 29 -26,-2.8 -24,-1.2 -2,-0.4 2,-0.3 -1.000 21.9-137.2-138.4 135.2 30.8 54.0 17.3 35 34 A E E -b 10 0A 59 -2,-0.4 2,-0.5 -26,-0.2 35,-0.3 -0.704 7.3-145.2 -92.4 140.7 31.8 55.2 13.8 36 35 A V - 0 0 1 -26,-3.2 -24,-0.4 -2,-0.3 2,-0.3 -0.934 26.3-175.1 -99.9 124.5 35.2 54.9 12.3 37 36 A K B -E 68 0B 90 31,-2.8 31,-2.6 -2,-0.5 2,-0.3 -0.735 18.1-150.9-114.7 161.7 36.1 57.8 10.0 38 37 A V - 0 0 27 -2,-0.3 29,-0.1 29,-0.2 3,-0.1 -0.911 37.3 -91.8-122.0 160.0 38.9 58.8 7.7 39 38 A S > - 0 0 67 27,-0.3 3,-2.0 -2,-0.3 4,-0.3 -0.286 49.9 -88.8 -70.2 153.6 39.9 62.4 6.9 40 39 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 -0.347 117.4 34.2 -59.0 139.3 38.5 64.2 3.9 41 40 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.309 84.8 104.9 95.2 -11.5 40.7 63.5 0.9 42 41 A T S < S+ 0 0 28 -3,-2.0 -2,-0.1 24,-0.0 2,-0.1 0.948 97.1 3.5 -64.9 -48.4 41.5 59.9 1.9 43 42 A F S S- 0 0 18 -4,-0.3 2,-0.3 -5,-0.1 -2,-0.1 -0.155 86.3-111.3-113.9-150.5 39.1 58.6 -0.7 44 43 A D - 0 0 63 2,-0.2 6,-0.1 -2,-0.1 9,-0.0 -0.978 18.9-117.1-147.3 154.4 37.0 60.4 -3.3 45 44 A A S S+ 0 0 100 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.792 99.0 82.5 -60.6 -27.4 33.4 61.0 -4.1 46 45 A D S > S- 0 0 35 1,-0.1 4,-2.2 -3,-0.0 -2,-0.2 -0.676 75.5-147.1 -84.8 129.1 33.9 59.0 -7.2 47 46 A X H > S+ 0 0 83 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.804 96.8 51.7 -68.3 -30.3 33.6 55.2 -6.7 48 47 A Y H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.7 47.5 -75.9 -38.7 36.2 54.3 -9.3 49 48 A K H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 113.1 50.3 -63.4 -42.8 38.7 56.7 -7.9 50 49 A T H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.937 108.9 51.0 -61.0 -48.3 38.0 55.3 -4.5 51 50 A S H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.932 110.0 49.9 -53.0 -46.1 38.4 51.7 -5.8 52 51 A D H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 109.6 50.8 -65.9 -36.8 41.8 52.7 -7.3 53 52 A I H X S+ 0 0 55 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.944 112.8 46.4 -63.8 -47.2 43.0 54.3 -4.0 54 53 A A H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 3,-0.3 0.913 110.3 54.1 -60.3 -42.8 42.0 51.1 -2.1 55 54 A L H X S+ 0 0 67 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.900 104.8 52.4 -60.0 -43.4 43.7 48.9 -4.6 56 55 A D H <>S+ 0 0 60 -4,-2.0 5,-2.1 2,-0.2 6,-1.4 0.813 112.0 47.1 -68.5 -25.8 47.0 50.7 -4.4 57 56 A Q H ><5S+ 0 0 13 -4,-1.3 3,-1.4 -3,-0.3 -2,-0.2 0.927 111.7 50.1 -71.8 -49.4 46.8 50.2 -0.6 58 57 A I H 3<5S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.849 110.9 51.6 -54.1 -36.8 45.9 46.5 -1.0 59 58 A Q T 3<5S- 0 0 112 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.543 117.3-111.8 -86.8 -7.0 48.8 46.1 -3.4 60 59 A G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.493 87.3 110.2 95.3 7.3 51.3 47.6 -1.1 61 60 A N S - 0 0 93 -2,-0.4 3,-2.0 1,-0.2 4,-0.1 -0.866 20.1-163.5 -91.1 102.7 38.9 50.3 25.9 74 73 A Y G > S+ 0 0 29 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.801 82.1 68.6 -59.6 -29.9 38.2 47.4 23.7 75 74 A N G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.434 78.7 79.3 -76.4 8.4 38.4 45.0 26.8 76 75 A N G < S+ 0 0 94 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.525 91.5 69.6 -77.7 -8.0 35.3 46.6 28.2 77 76 A Y < - 0 0 20 -3,-1.6 -71,-0.2 -4,-0.1 30,-0.2 -0.857 59.8-159.8-119.0 150.3 33.4 44.3 25.7 78 77 A D S S+ 0 0 86 -73,-2.2 30,-2.3 -2,-0.3 2,-0.4 0.710 89.7 25.2 -84.5 -31.6 32.7 40.6 25.2 79 78 A L E -ac 6 108A 2 -74,-1.9 -72,-2.2 28,-0.2 2,-0.5 -0.996 62.1-165.8-142.0 130.2 31.9 41.0 21.5 80 79 A I E -ac 7 109A 0 28,-2.2 30,-2.3 -2,-0.4 2,-0.5 -0.993 9.5-159.5-119.5 119.8 32.9 43.6 19.0 81 80 A L E -ac 8 110A 1 -74,-3.0 -72,-3.1 -2,-0.5 2,-0.5 -0.900 6.6-160.6 -98.4 126.9 31.0 43.7 15.7 82 81 A I E -ac 9 111A 0 28,-2.6 30,-1.5 -2,-0.5 2,-0.4 -0.938 5.1-160.2-115.4 120.5 32.8 45.4 12.8 83 82 A G E +ac 10 112A 0 -74,-2.9 -72,-2.1 -2,-0.5 30,-0.2 -0.795 20.4 150.4-103.5 140.6 30.8 46.6 9.8 84 83 A S E - c 0 113A 0 28,-1.5 30,-1.7 -2,-0.4 -72,-0.1 -0.989 42.0-108.1-153.7 156.6 32.1 47.4 6.4 85 84 A P E - c 0 114A 18 0, 0.0 7,-0.6 0, 0.0 2,-0.6 -0.438 43.1-105.4 -69.4 161.2 31.1 47.5 2.8 86 85 A V E -F 91 0C 25 28,-1.7 2,-0.6 5,-0.1 30,-0.1 -0.836 34.8-169.6 -84.5 124.4 32.5 44.8 0.5 87 86 A W E > S-F 90 0C 45 3,-3.1 3,-1.5 -2,-0.6 28,-0.0 -0.894 70.8 -43.8-116.8 95.0 35.2 46.4 -1.7 88 87 A S T 3 S- 0 0 57 -2,-0.6 31,-0.1 1,-0.3 -1,-0.1 0.875 121.3 -41.4 50.2 46.4 36.2 43.9 -4.4 89 88 A G T 3 S+ 0 0 2 1,-0.3 37,-0.4 29,-0.3 -1,-0.3 0.580 125.4 88.2 80.8 10.5 36.3 41.0 -2.0 90 89 A Y E < S-F 87 0C 64 -3,-1.5 -3,-3.1 36,-0.1 -1,-0.3 -0.926 82.1-104.9-125.0 158.6 38.0 42.9 0.8 91 90 A P E -F 86 0C 1 0, 0.0 -5,-0.1 0, 0.0 5,-0.1 -0.374 60.9 -77.7 -65.1 162.4 36.7 44.9 3.7 92 91 A A > - 0 0 0 -7,-0.6 3,-2.2 -81,-0.1 4,-0.5 -0.373 47.5-110.7 -62.0 146.7 37.3 48.6 3.2 93 92 A T T >> S+ 0 0 1 1,-0.3 3,-1.1 2,-0.2 4,-1.1 0.755 112.6 67.6 -59.1 -28.7 40.9 49.6 3.9 94 93 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.799 92.1 65.9 -57.9 -27.0 40.1 51.6 7.1 95 94 A I H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.833 94.0 56.4 -63.6 -33.4 39.2 48.2 8.7 96 95 A K H <> S+ 0 0 53 -3,-1.1 4,-2.1 -4,-0.5 -1,-0.2 0.944 109.6 45.5 -62.8 -45.6 42.8 46.9 8.4 97 96 A T H X S+ 0 0 14 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.913 112.9 51.5 -61.2 -44.9 44.0 49.9 10.5 98 97 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.939 108.9 49.3 -56.6 -51.5 41.1 49.4 13.0 99 98 A L H < S+ 0 0 5 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.894 109.3 53.0 -60.2 -39.9 42.0 45.7 13.4 100 99 A D H >< S+ 0 0 94 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.917 107.3 51.2 -59.3 -43.2 45.6 46.6 14.0 101 100 A Q H 3< S+ 0 0 93 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.707 104.4 59.6 -68.9 -19.2 44.6 49.1 16.7 102 101 A X T >< + 0 0 0 -4,-1.2 3,-2.6 -3,-0.4 -1,-0.3 0.256 68.9 122.6 -89.0 14.9 42.5 46.3 18.3 103 102 A K T < S+ 0 0 82 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.748 73.0 46.8 -49.1 -36.6 45.6 44.1 18.8 104 103 A N T 3 S+ 0 0 132 -3,-0.4 2,-0.4 30,-0.0 -1,-0.3 0.357 80.3 120.9 -95.0 9.3 45.2 43.8 22.5 105 104 A Y < - 0 0 10 -3,-2.6 30,-0.3 1,-0.1 -30,-0.1 -0.595 40.1-171.8 -75.6 126.9 41.5 43.0 22.5 106 105 A R + 0 0 198 -2,-0.4 -1,-0.1 -29,-0.1 -31,-0.1 0.507 53.7 81.7 -99.3 -6.4 40.9 39.6 24.1 107 106 A G S S- 0 0 16 -30,-0.2 28,-0.7 1,-0.2 2,-0.3 0.086 87.9 -63.9 -88.9-164.1 37.2 39.1 23.4 108 107 A E E -cd 79 135A 53 -30,-2.3 -28,-2.2 26,-0.1 2,-0.4 -0.642 42.6-163.1 -87.5 145.3 35.2 37.9 20.4 109 108 A V E +cd 80 136A 0 26,-2.7 28,-2.8 -2,-0.3 29,-0.7 -0.975 11.0 172.4-123.7 140.4 35.1 39.7 17.1 110 109 A A E -cd 81 138A 0 -30,-2.3 -28,-2.6 -2,-0.4 2,-0.4 -0.976 18.9-142.1-138.8 155.6 32.6 39.3 14.2 111 110 A S E -cd 82 139A 0 27,-1.9 29,-2.2 -2,-0.3 2,-0.4 -0.978 7.2-164.9-120.3 133.7 32.1 41.2 11.0 112 111 A F E -cd 83 140A 0 -30,-1.5 -28,-1.5 -2,-0.4 2,-0.3 -0.914 16.1-167.0-105.2 137.9 28.9 42.2 9.3 113 112 A F E -cd 84 141A 6 27,-1.8 29,-3.0 -2,-0.4 2,-0.3 -0.920 14.7-150.4-121.1 154.8 29.2 43.4 5.7 114 113 A T E +c 85 0A 17 -30,-1.7 -28,-1.7 -2,-0.3 2,-0.3 -0.890 32.3 147.4-116.1 153.1 26.9 45.2 3.3 115 114 A S - 0 0 32 -2,-0.3 4,-0.1 -30,-0.2 -28,-0.1 -0.949 60.4-100.7-162.8 175.3 27.2 44.6 -0.4 116 115 A A S S- 0 0 101 -2,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.075 81.9 -86.2 -99.3 20.8 25.5 44.3 -3.8 117 116 A G S S+ 0 0 34 1,-0.3 2,-0.3 2,-0.0 3,-0.2 0.458 93.3 98.6 101.0 1.6 25.7 40.6 -3.5 118 117 A T + 0 0 90 1,-0.2 -29,-0.3 -32,-0.1 -1,-0.3 -0.845 66.5 24.0-128.7 158.9 29.1 39.5 -4.8 119 118 A N > + 0 0 77 -2,-0.3 4,-1.7 -31,-0.1 -1,-0.2 0.741 68.2 141.4 67.5 30.9 32.6 38.5 -3.6 120 119 A H H > + 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 64.4 54.7 -71.3 -42.4 31.4 37.5 -0.2 121 120 A K H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 109.7 48.9 -59.4 -42.8 33.7 34.4 0.2 122 121 A A H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.908 107.8 54.4 -63.3 -42.2 36.7 36.6 -0.5 123 122 A Y H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.934 109.7 47.9 -55.7 -48.9 35.5 39.2 2.1 124 123 A V H X S+ 0 0 50 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.937 114.0 45.9 -57.8 -49.6 35.3 36.5 4.7 125 124 A S H X S+ 0 0 67 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.921 116.2 44.9 -59.4 -47.2 38.8 35.1 3.9 126 125 A H H X S+ 0 0 34 -4,-2.8 4,-2.8 -37,-0.4 5,-0.2 0.880 109.9 54.1 -70.6 -39.3 40.4 38.6 3.8 127 126 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.942 108.1 50.8 -57.6 -47.0 38.7 39.8 7.0 128 127 A N H < S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.897 110.5 49.7 -60.6 -38.9 40.0 36.8 8.8 129 128 A E H >< S+ 0 0 115 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.975 111.2 47.6 -56.1 -56.6 43.5 37.6 7.5 130 129 A W H 3< S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.795 113.3 49.7 -59.2 -30.4 43.3 41.2 8.6 131 130 A A T >< S+ 0 0 2 -4,-2.2 3,-2.8 -5,-0.2 -1,-0.3 0.230 78.6 149.7 -90.5 12.5 42.0 40.1 12.0 132 131 A D T < + 0 0 144 -3,-2.3 3,-0.1 1,-0.3 -3,-0.1 -0.197 66.6 30.2 -56.3 132.7 44.8 37.5 12.6 133 132 A G T 3 S+ 0 0 73 1,-0.4 2,-0.3 3,-0.0 -1,-0.3 0.171 102.5 97.7 101.2 -17.6 45.5 37.3 16.3 134 133 A L S < S- 0 0 23 -3,-2.8 2,-1.4 -6,-0.2 -1,-0.4 -0.731 84.8-108.6-100.9 155.6 41.9 38.1 17.2 135 134 A N E -d 108 0A 87 -28,-0.7 -26,-2.7 -2,-0.3 2,-0.6 -0.649 39.5-170.7 -85.1 89.0 39.2 35.6 18.1 136 135 A V E +d 109 0A 29 -2,-1.4 -26,-0.2 -28,-0.2 3,-0.1 -0.732 12.8 178.6 -84.0 118.4 36.9 35.9 15.1 137 136 A I E - 0 0 50 -28,-2.8 2,-0.3 -2,-0.6 -27,-0.2 0.561 60.3 -25.5 -98.5 -11.2 33.7 34.0 15.7 138 137 A G E -d 110 0A 20 -29,-0.7 -27,-1.9 -14,-0.0 2,-0.3 -0.897 40.3-145.1 172.0 162.4 32.0 34.8 12.3 139 138 A V E +d 111 0A 24 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.982 33.7 153.3-141.9 130.7 31.5 37.0 9.3 140 139 A A E -d 112 0A 11 -29,-2.2 -27,-1.8 -2,-0.3 2,-0.2 -0.990 43.1 -88.8-158.9 161.0 28.1 37.4 7.6 141 140 A R E > S-d 113 0A 88 -2,-0.3 3,-2.1 -29,-0.2 -27,-0.2 -0.499 82.7 -35.4 -77.4 141.2 26.0 39.7 5.5 142 141 A D T 3 S- 0 0 49 -29,-3.0 3,-0.3 1,-0.3 -2,-0.2 -0.164 116.2 -35.3 53.5-138.3 23.8 42.4 7.1 143 142 A D T > S+ 0 0 46 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.124 99.5 122.3-101.7 20.7 22.3 41.2 10.5 144 143 A S T < S+ 0 0 74 -3,-2.1 -1,-0.2 1,-0.3 4,-0.1 0.657 82.7 28.1 -59.8 -25.0 21.9 37.6 9.2 145 144 A E T 3> S+ 0 0 79 -3,-0.3 4,-2.7 -4,-0.2 -1,-0.3 0.226 83.5 110.4-123.4 14.6 24.0 36.1 12.1 146 145 A V H <> S+ 0 0 6 -3,-1.3 4,-1.5 1,-0.2 -2,-0.1 0.898 81.9 50.0 -55.8 -43.3 23.5 38.6 14.9 147 146 A D H > S+ 0 0 123 -4,-0.4 4,-0.6 2,-0.2 3,-0.4 0.952 111.6 48.4 -61.5 -49.0 21.4 36.1 16.9 148 147 A K H >4 S+ 0 0 132 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.932 111.1 50.3 -55.0 -45.0 24.1 33.4 16.4 149 148 A W H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 102.1 62.7 -67.4 -25.8 26.8 35.7 17.5 150 149 A S H 3< 0 0 38 -4,-1.5 -146,-0.5 -3,-0.4 -1,-0.3 0.629 360.0 360.0 -74.3 -16.3 24.9 36.8 20.6 151 150 A K << 0 0 192 -3,-1.3 -149,-0.1 -4,-0.6 -148,-0.0 -0.676 360.0 360.0 -93.4 360.0 25.0 33.3 22.2 152 !* 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 0.0 153 2 B A 0 0 147 0, 0.0 2,-0.4 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 150.5 12.1 60.9 -43.1 154 3 B K - 0 0 45 146,-0.5 2,-0.5 1,-0.1 73,-0.1 -0.638 360.0-118.6 -71.2 127.5 15.8 60.7 -42.4 155 4 B K - 0 0 102 -2,-0.4 73,-2.2 71,-0.1 74,-2.0 -0.608 44.3-157.9 -67.5 120.3 17.1 57.2 -43.0 156 5 B T E -g 229 0D 5 -2,-0.5 26,-2.3 23,-0.2 2,-0.4 -0.905 23.3-169.1-120.7 132.1 18.3 56.5 -39.5 157 6 B L E -gh 230 182D 0 72,-2.2 74,-2.9 -2,-0.4 2,-0.5 -0.952 9.9-157.2-112.2 134.5 20.8 54.0 -38.1 158 7 B I E +gh 231 183D 0 24,-3.0 26,-2.8 -2,-0.4 2,-0.4 -0.978 14.8 179.2-114.4 116.6 21.1 53.4 -34.3 159 8 B L E +gh 232 184D 0 72,-3.0 74,-2.9 -2,-0.5 2,-0.3 -0.899 7.5 171.2-111.8 143.9 24.4 52.1 -33.1 160 9 B Y E -gh 233 185D 8 24,-1.2 26,-3.1 -2,-0.4 2,-0.4 -0.997 28.8-153.1-152.8 152.7 25.2 51.4 -29.5 161 10 B Y - 0 0 12 72,-2.1 2,-0.4 -2,-0.3 81,-0.1 -0.986 20.8-177.3-117.0 137.1 27.7 49.8 -27.1 162 11 B S - 0 0 18 24,-0.5 -2,-0.0 -2,-0.4 72,-0.0 -0.967 16.9-178.6-139.8 117.4 26.3 48.6 -23.8 163 12 B W S S+ 0 0 74 -2,-0.4 -1,-0.1 1,-0.1 71,-0.0 0.885 91.9 17.3 -81.5 -41.9 28.4 47.1 -21.0 164 13 B S S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.149 111.1-101.3-120.0 18.5 25.6 46.3 -18.6 165 14 B G S > S+ 0 0 29 1,-0.1 4,-1.9 4,-0.0 5,-0.1 0.254 92.2 105.9 92.5 -16.2 22.5 46.4 -20.8 166 15 B E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.930 83.7 45.1 -68.5 -45.2 21.0 49.8 -20.0 167 16 B T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.840 109.3 58.5 -67.5 -32.9 22.0 51.5 -23.2 168 17 B K H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 106.6 47.7 -57.7 -49.4 20.8 48.5 -25.2 169 18 B K H X S+ 0 0 117 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.918 112.9 48.5 -58.0 -44.4 17.3 49.0 -23.7 170 19 B X H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 109.4 52.3 -64.6 -39.5 17.4 52.7 -24.6 171 20 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.892 109.5 50.0 -62.2 -38.9 18.6 51.9 -28.1 172 21 B E H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 109.9 50.7 -65.7 -40.6 15.6 49.5 -28.5 173 22 B K H X S+ 0 0 103 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.938 112.0 46.6 -62.6 -45.8 13.2 52.2 -27.2 174 23 B I H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 3,-0.3 0.908 108.8 56.4 -63.4 -42.5 14.6 54.7 -29.7 175 24 B N H < S+ 0 0 48 -4,-2.6 6,-0.4 1,-0.2 3,-0.4 0.920 107.9 47.9 -52.9 -43.7 14.4 52.1 -32.5 176 25 B S H < S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.2 53.6 -71.0 -24.4 10.7 51.7 -31.7 177 26 B E H < S+ 0 0 70 -4,-1.3 2,-0.7 -3,-0.3 -1,-0.2 0.748 102.0 61.8 -76.9 -29.2 10.3 55.5 -31.7 178 27 B I S >< S- 0 0 16 -4,-1.6 3,-2.0 -3,-0.4 -1,-0.2 -0.885 88.5-129.4-110.1 105.5 11.8 56.0 -35.2 179 28 B K T 3 S+ 0 0 86 -2,-0.7 -23,-0.2 1,-0.3 -3,-0.1 -0.252 87.7 3.1 -55.0 132.9 9.9 54.3 -38.0 180 29 B D T 3 S+ 0 0 165 1,-0.2 -1,-0.3 -25,-0.1 -24,-0.1 0.551 91.3 153.0 67.3 13.9 12.0 52.1 -40.3 181 30 B S < - 0 0 14 -3,-2.0 2,-0.4 -6,-0.4 -1,-0.2 -0.402 40.9-130.5 -71.4 148.7 15.2 52.8 -38.2 182 31 B E E -h 157 0D 75 -26,-2.3 -24,-3.0 -2,-0.1 2,-0.5 -0.853 16.3-153.5-101.1 138.4 17.9 50.2 -38.3 183 32 B L E +h 158 0D 45 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.959 16.5 173.6-118.4 123.9 19.5 49.0 -35.0 184 33 B K E -h 159 0D 42 -26,-2.8 -24,-1.2 -2,-0.5 2,-0.4 -0.997 19.8-140.8-132.5 136.7 23.0 47.6 -34.8 185 34 B E E -h 160 0D 60 -2,-0.4 2,-0.5 -26,-0.2 35,-0.4 -0.770 4.8-149.5 -96.4 141.0 25.0 46.6 -31.8 186 35 B V + 0 0 1 -26,-3.1 -24,-0.5 -2,-0.4 2,-0.3 -0.924 24.9 178.4-103.4 128.8 28.7 47.2 -31.2 187 36 B K B -K 218 0E 115 31,-2.6 31,-2.8 -2,-0.5 2,-0.3 -0.799 22.0-143.1-121.6 165.2 30.5 44.6 -29.1 188 37 B V - 0 0 28 -2,-0.3 29,-0.1 29,-0.2 3,-0.1 -0.949 36.1 -97.4-121.4 155.8 34.0 43.9 -27.9 189 38 B S > - 0 0 65 -2,-0.3 3,-1.7 27,-0.3 4,-0.3 -0.264 46.4 -89.2 -69.4 153.7 35.4 40.4 -27.6 190 39 B E T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 -0.361 118.2 40.8 -56.0 138.9 35.5 38.5 -24.3 191 40 B G T 3 S+ 0 0 75 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.410 86.3 99.0 94.9 -2.2 38.7 39.5 -22.6 192 41 B T S < S- 0 0 30 -3,-1.7 -2,-0.1 -4,-0.1 2,-0.1 0.942 100.3 -8.2 -78.8 -52.2 38.6 43.2 -23.6 193 42 B F S S- 0 0 19 -4,-0.3 2,-0.3 -5,-0.1 4,-0.1 0.107 86.2-104.6-113.7-131.7 37.2 44.5 -20.3 194 43 B D - 0 0 66 2,-0.2 6,-0.1 -2,-0.1 9,-0.0 -0.978 19.6-112.9-157.6 158.3 36.0 42.5 -17.3 195 44 B A S S+ 0 0 97 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 0.784 100.2 83.6 -61.9 -29.5 32.7 41.5 -15.6 196 45 B D S > S- 0 0 33 1,-0.1 4,-2.0 -3,-0.0 -2,-0.2 -0.661 75.6-146.0 -81.9 133.0 33.9 43.7 -12.7 197 46 B X H > S+ 0 0 83 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.796 95.8 51.7 -69.4 -29.9 33.1 47.4 -13.1 198 47 B Y H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 110.4 47.3 -79.2 -38.3 36.3 48.6 -11.3 199 48 B K H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 112.8 51.6 -63.9 -40.5 38.6 46.5 -13.4 200 49 B T H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.938 109.0 49.9 -59.7 -47.7 36.7 47.7 -16.5 201 50 B S H X S+ 0 0 19 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.925 110.1 50.6 -55.8 -45.5 37.2 51.3 -15.3 202 51 B D H X S+ 0 0 38 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.884 110.6 48.5 -63.4 -40.4 40.9 50.8 -14.8 203 52 B I H X S+ 0 0 56 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.942 113.3 47.8 -64.6 -45.4 41.3 49.3 -18.3 204 53 B A H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 3,-0.3 0.891 106.8 57.5 -61.4 -41.3 39.4 52.2 -19.9 205 54 B L H X S+ 0 0 79 -4,-2.6 4,-2.5 1,-0.2 6,-0.2 0.915 103.5 52.1 -58.5 -43.9 41.4 54.7 -17.9 206 55 B D H <>S+ 0 0 68 -4,-1.7 5,-2.3 2,-0.2 6,-1.4 0.827 111.2 48.7 -63.9 -30.3 44.7 53.4 -19.4 207 56 B Q H ><5S+ 0 0 11 -4,-1.3 3,-1.4 -3,-0.3 -2,-0.2 0.931 111.5 47.5 -71.0 -48.9 43.1 53.8 -22.9 208 57 B I H 3<5S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.886 111.0 52.4 -62.2 -35.3 41.9 57.3 -22.3 209 58 B Q T 3<5S- 0 0 126 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.508 116.2-114.4 -81.1 -3.0 45.4 58.3 -20.8 210 59 B G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.624 85.2 116.1 84.2 13.7 47.1 56.9 -24.0 211 60 B N S - 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