==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-NOV-08 3F5D . COMPND 2 MOLECULE: PROTEIN YDEA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.7 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 3 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 3 A L 0 0 148 0, 0.0 2,-0.3 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 136.9 14.4 18.7 18.1 2 4 A K E -a 30 0A 66 27,-2.6 29,-2.3 60,-0.0 2,-0.4 -0.899 360.0-139.1-120.0 148.1 15.4 17.4 14.7 3 5 A K E -a 31 0A 62 -2,-0.3 61,-1.7 27,-0.2 60,-1.6 -0.916 10.2-167.7-116.4 134.1 14.5 18.9 11.3 4 6 A A E -ab 32 64A 0 27,-3.2 29,-2.5 -2,-0.4 2,-0.6 -0.967 9.9-158.3-116.8 123.6 13.4 17.2 8.1 5 7 A L E -ab 33 65A 0 59,-3.1 61,-3.0 -2,-0.5 2,-0.7 -0.907 3.5-155.0-104.4 122.8 13.4 19.3 4.9 6 8 A F E -ab 34 66A 12 27,-3.1 29,-2.3 -2,-0.6 2,-0.8 -0.865 8.3-151.3 -99.9 111.0 11.2 18.0 2.1 7 9 A L E +ab 35 67A 0 59,-3.1 61,-2.0 -2,-0.7 2,-0.4 -0.731 23.7 172.4 -85.6 111.5 12.5 19.3 -1.3 8 10 A I - 0 0 8 27,-1.9 29,-0.3 -2,-0.8 2,-0.2 -0.962 12.3-168.1-122.8 138.5 9.5 19.5 -3.6 9 11 A L - 0 0 6 -2,-0.4 3,-0.4 60,-0.3 62,-0.1 -0.665 46.2 -62.2-114.3 174.0 9.5 21.1 -7.1 10 12 A D S S+ 0 0 56 -2,-0.2 61,-0.3 1,-0.2 62,-0.2 -0.254 122.0 20.8 -60.0 145.1 6.5 21.9 -9.3 11 13 A Q S S+ 0 0 67 31,-2.5 60,-2.2 1,-0.2 32,-0.3 0.947 89.1 174.9 60.4 51.5 4.4 19.0 -10.3 12 14 A Y B -gH 43 70B 28 30,-1.2 32,-2.7 -3,-0.4 2,-0.6 -0.569 40.0 -94.0 -89.3 152.8 5.7 16.8 -7.5 13 15 A A >> - 0 0 1 56,-1.6 3,-0.7 -2,-0.2 4,-0.5 -0.555 29.6-157.1 -72.0 115.9 4.3 13.3 -6.7 14 16 A D T 34 S+ 0 0 44 -2,-0.6 4,-0.3 1,-0.2 3,-0.3 0.867 86.7 49.3 -56.2 -45.7 1.6 13.6 -4.1 15 17 A W T 34 S+ 0 0 114 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.578 91.5 77.3 -76.7 -14.4 1.9 10.0 -2.9 16 18 A E T <4 S+ 0 0 0 -3,-0.7 3,-0.2 1,-0.2 4,-0.2 0.908 102.5 24.5 -71.3 -43.5 5.6 9.6 -2.3 17 19 A G S X S+ 0 0 8 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.344 88.6 100.4-107.4 11.7 6.3 11.4 1.0 18 20 A V H > S+ 0 0 72 -4,-0.3 4,-1.6 1,-0.2 5,-0.2 0.800 84.5 47.1 -65.5 -33.4 3.0 11.3 2.9 19 21 A Y H > S+ 0 0 80 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.879 115.9 44.2 -77.0 -37.6 3.9 8.4 5.2 20 22 A L H > S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 5,-0.3 0.928 112.7 52.2 -71.8 -44.3 7.3 9.7 6.1 21 23 A A H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.916 113.6 42.0 -59.7 -46.1 6.0 13.3 6.6 22 24 A S H X S+ 0 0 53 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.922 113.6 52.0 -69.0 -42.9 3.2 12.3 9.0 23 25 A A H < S+ 0 0 11 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.948 118.9 37.2 -56.7 -49.2 5.3 9.8 10.9 24 26 A L H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.2 6,-0.3 0.981 113.8 51.2 -68.5 -59.2 8.0 12.4 11.5 25 27 A N H 3< S+ 0 0 89 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.769 102.3 61.3 -54.7 -29.0 6.0 15.5 12.1 26 28 A Q T 3< S+ 0 0 167 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.722 87.3 94.7 -70.7 -19.5 3.7 13.9 14.7 27 29 A R S X S- 0 0 71 -3,-2.3 3,-0.7 -4,-0.4 -3,-0.0 -0.449 75.3-139.6 -71.2 146.2 6.8 13.3 16.8 28 30 A E T 3 S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.819 105.4 50.7 -73.4 -31.5 7.7 16.0 19.5 29 31 A D T 3 S+ 0 0 48 -28,-0.1 -27,-2.6 -5,-0.1 2,-0.4 0.361 105.3 67.5 -88.4 2.7 11.3 15.6 18.5 30 32 A W E < -a 2 0A 9 -3,-0.7 2,-0.4 -6,-0.3 -27,-0.2 -0.976 56.0-169.1-129.6 143.5 10.8 16.0 14.8 31 33 A S E -a 3 0A 30 -29,-2.3 -27,-3.2 -2,-0.4 2,-0.5 -0.988 9.7-153.0-128.2 136.8 9.8 18.9 12.6 32 34 A V E +a 4 0A 28 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.936 19.9 168.1-112.8 130.1 8.9 18.7 8.9 33 35 A H E -a 5 0A 37 -29,-2.5 -27,-3.1 -2,-0.5 2,-0.3 -0.966 26.3-128.8-137.0 152.8 9.3 21.7 6.6 34 36 A T E -a 6 0A 25 -2,-0.3 19,-2.5 -29,-0.2 18,-0.4 -0.766 19.5-171.3-104.3 150.0 9.2 22.1 2.8 35 37 A V E +ac 7 53A 0 -29,-2.3 -27,-1.9 -2,-0.3 2,-0.3 -0.995 15.9 147.5-139.7 141.6 11.8 23.8 0.6 36 38 A S E - c 0 54A 0 17,-2.0 19,-2.4 -2,-0.3 -27,-0.1 -0.914 56.9-104.4-158.3-178.5 11.7 24.6 -3.0 37 39 A L S S+ 0 0 35 -29,-0.3 -28,-0.1 -2,-0.3 17,-0.1 0.672 106.7 50.6 -89.0 -20.8 12.8 27.1 -5.7 38 40 A D S S- 0 0 70 15,-0.1 13,-0.1 1,-0.1 3,-0.1 -0.860 80.5-129.9-118.2 152.0 9.4 28.6 -5.7 39 41 A P S S+ 0 0 85 0, 0.0 12,-1.7 0, 0.0 2,-0.4 0.684 99.8 32.2 -72.0 -18.2 7.1 29.9 -2.9 40 42 A I E S+I 50 0C 99 10,-0.2 2,-0.4 2,-0.0 10,-0.2 -0.950 70.5 180.0-144.0 118.3 4.2 27.8 -4.2 41 43 A V E -I 49 0C 0 8,-1.8 8,-3.2 -2,-0.4 2,-0.3 -0.943 19.8-134.2-123.2 145.3 4.4 24.5 -6.0 42 44 A S E -I 48 0C 29 -2,-0.4 -31,-2.5 6,-0.2 -30,-1.2 -0.730 14.4-137.4 -96.9 142.0 1.7 22.3 -7.4 43 45 A S B > -g 12 0B 2 4,-2.7 3,-1.8 -2,-0.3 -30,-0.2 -0.529 30.5-109.1 -88.2 163.3 1.5 18.6 -6.9 44 46 A I T 3 S+ 0 0 70 -32,-2.7 -31,-0.1 1,-0.3 -1,-0.1 0.835 120.5 62.2 -60.8 -30.6 0.6 16.3 -9.8 45 47 A G T 3 S- 0 0 52 -33,-0.4 -1,-0.3 1,-0.1 -32,-0.1 0.571 123.8-101.7 -72.6 -11.2 -2.7 15.8 -8.0 46 48 A G S < S+ 0 0 51 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.504 75.8 136.4 103.6 4.8 -3.6 19.4 -8.2 47 49 A F - 0 0 145 2,-0.0 -4,-2.7 1,-0.0 2,-0.6 -0.622 45.5-142.7 -86.2 146.5 -2.7 20.6 -4.7 48 50 A K E -I 42 0C 162 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.947 14.4-157.0-111.2 120.9 -0.9 23.8 -4.2 49 51 A T E -I 41 0C 33 -8,-3.2 -8,-1.8 -2,-0.6 2,-1.0 -0.855 12.4-141.5-102.3 129.5 1.7 23.8 -1.4 50 52 A S E -I 40 0C 93 -2,-0.5 -10,-0.2 -10,-0.2 -16,-0.2 -0.787 31.5-135.6 -87.8 102.4 2.8 27.0 0.3 51 53 A V - 0 0 17 -12,-1.7 -16,-0.1 -2,-1.0 3,-0.1 -0.281 9.9-150.1 -63.7 140.0 6.6 26.3 0.7 52 54 A D S S+ 0 0 93 -18,-0.4 2,-0.4 1,-0.2 -17,-0.2 0.949 80.0 26.7 -74.7 -49.9 8.3 27.1 4.1 53 55 A Y E -c 35 0A 59 -19,-2.5 -17,-2.0 -15,-0.1 2,-0.4 -0.946 64.5-148.3-122.4 135.0 11.8 27.8 2.7 54 56 A I E > -c 36 0A 50 -2,-0.4 3,-2.7 -19,-0.2 4,-0.3 -0.787 49.5 -90.7 -92.1 140.9 13.0 29.1 -0.7 55 57 A I T 3 S+ 0 0 17 -19,-2.4 25,-0.1 -2,-0.4 -1,-0.1 -0.326 121.2 34.7 -55.9 124.0 16.4 27.7 -1.5 56 58 A G T 3 S+ 0 0 61 23,-0.1 -1,-0.3 -2,-0.1 4,-0.1 0.200 114.7 62.0 111.7 -10.1 18.9 30.1 -0.1 57 59 A L S < S+ 0 0 131 -3,-2.7 -2,-0.2 2,-0.1 3,-0.1 0.255 78.8 103.8-126.0 5.3 16.6 30.9 2.8 58 60 A E S S- 0 0 38 -4,-0.3 -23,-0.0 1,-0.1 -2,-0.0 -0.506 86.0 -78.2 -88.6 159.5 16.5 27.5 4.5 59 61 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.294 35.9-129.4 -58.8 138.6 18.4 26.6 7.7 60 62 A A S S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.841 91.3 31.5 -56.9 -37.9 22.0 25.9 7.1 61 63 A N + 0 0 123 2,-0.0 2,-0.3 31,-0.0 -1,-0.2 -0.986 65.0 151.7-133.9 135.2 21.8 22.6 9.0 62 64 A F - 0 0 10 -2,-0.4 -58,-0.1 -3,-0.1 3,-0.1 -0.862 44.3-115.7-144.4 174.5 19.0 20.1 9.5 63 65 A N S S+ 0 0 68 -60,-1.6 2,-0.3 -2,-0.3 -59,-0.2 0.673 88.5 26.6 -95.9 -20.0 18.8 16.3 10.1 64 66 A L E -b 4 0A 0 -61,-1.7 -59,-3.1 28,-0.1 2,-0.6 -0.985 53.9-159.8-149.1 135.4 17.1 14.9 7.1 65 67 A L E -bd 5 94A 0 28,-1.9 30,-2.6 -2,-0.3 2,-0.6 -0.959 12.2-172.8-115.3 114.9 16.8 15.9 3.4 66 68 A V E -bd 6 95A 0 -61,-3.0 -59,-3.1 -2,-0.6 2,-0.8 -0.933 4.5-166.1-111.9 112.6 13.9 14.3 1.6 67 69 A X E -bd 7 96A 0 28,-2.7 30,-2.0 -2,-0.6 2,-0.2 -0.856 14.0-158.3 -98.6 104.0 13.9 14.9 -2.2 68 70 A I - 0 0 6 -61,-2.0 -59,-0.3 -2,-0.8 30,-0.1 -0.548 15.1-110.7 -87.7 152.9 10.5 13.9 -3.5 69 71 A G + 0 0 0 -2,-0.2 -56,-1.6 30,-0.1 2,-0.3 0.065 48.0 124.8 -71.2-178.3 9.8 13.1 -7.1 70 72 A G B -H 12 0B 11 -58,-0.3 3,-0.4 -62,-0.1 -58,-0.3 -0.926 68.0 -68.5 153.3-172.7 7.8 14.8 -9.9 71 73 A D S S+ 0 0 120 -60,-2.2 3,-0.2 -2,-0.3 -59,-0.1 0.190 109.4 70.0 -97.8 16.9 8.1 16.2 -13.4 72 74 A S + 0 0 32 -62,-0.2 -1,-0.2 -61,-0.2 -62,-0.1 0.188 58.3 106.5-119.5 19.3 10.5 19.1 -12.8 73 75 A W + 0 0 13 -3,-0.4 2,-2.4 1,-0.2 -1,-0.1 0.557 51.1 92.0 -78.7 -5.6 13.9 17.4 -12.0 74 76 A S + 0 0 119 -3,-0.2 2,-0.5 2,-0.0 -1,-0.2 -0.545 65.1 146.0 -82.9 71.8 15.6 18.2 -15.3 75 77 A N - 0 0 54 -2,-2.4 -3,-0.0 1,-0.1 6,-0.0 -0.963 43.4-172.7-121.0 124.6 16.8 21.4 -13.6 76 78 A D + 0 0 150 -2,-0.5 -1,-0.1 4,-0.0 5,-0.1 0.405 39.5 145.1 -89.0 0.1 20.2 23.1 -14.2 77 79 A N > - 0 0 54 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.150 40.1-157.8 -46.3 115.9 19.5 25.4 -11.3 78 80 A K H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.797 91.8 56.6 -68.9 -29.7 22.8 26.1 -9.6 79 81 A K H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 108.3 48.3 -65.6 -46.5 21.1 27.1 -6.3 80 82 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.933 112.1 48.1 -57.5 -51.6 19.4 23.7 -6.2 81 83 A L H X S+ 0 0 43 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.934 111.8 49.1 -57.7 -49.1 22.6 21.8 -6.9 82 84 A H H X S+ 0 0 118 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.938 110.5 52.3 -56.5 -48.2 24.5 23.7 -4.3 83 85 A F H X S+ 0 0 7 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.943 117.6 35.4 -53.1 -54.7 21.8 23.1 -1.8 84 86 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.3 0.945 116.8 52.1 -67.0 -49.5 21.7 19.3 -2.3 85 87 A K H X S+ 0 0 80 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.849 107.6 54.0 -56.3 -37.0 25.4 18.9 -2.9 86 88 A T H X S+ 0 0 23 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.3 0.888 103.8 55.6 -65.5 -38.6 26.1 20.7 0.3 87 89 A A H <>S+ 0 0 0 -4,-1.4 5,-2.1 -3,-0.3 -1,-0.2 0.894 107.6 49.7 -60.4 -39.5 23.8 18.3 2.2 88 90 A F H ><5S+ 0 0 42 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.931 109.5 51.0 -64.6 -44.8 26.0 15.4 0.8 89 91 A Q H 3<5S+ 0 0 146 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.900 108.1 50.6 -59.7 -43.8 29.2 17.1 2.0 90 92 A K T 3<5S- 0 0 85 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.515 111.0-130.8 -71.8 -3.1 27.8 17.7 5.5 91 93 A N T < 5 + 0 0 103 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.833 46.1 164.8 56.1 37.6 27.0 13.9 5.3 92 94 A I < - 0 0 22 -5,-2.1 -1,-0.2 1,-0.1 -28,-0.1 -0.590 50.5 -87.5 -83.8 146.9 23.4 14.4 6.5 93 95 A P - 0 0 28 0, 0.0 -28,-1.9 0, 0.0 2,-0.4 -0.271 52.7-167.7 -52.3 132.6 21.0 11.5 5.9 94 96 A I E -de 65 146A 2 51,-2.8 53,-2.3 -30,-0.2 2,-0.4 -0.989 14.8-172.0-131.3 138.0 19.4 11.9 2.5 95 97 A A E -de 66 147A 0 -30,-2.6 -28,-2.7 -2,-0.4 2,-0.4 -0.992 7.9-177.0-130.2 123.9 16.5 10.1 0.9 96 98 A A E -de 67 148A 0 51,-3.4 53,-0.8 -2,-0.4 2,-0.3 -0.966 1.0-176.7-125.3 139.1 15.6 10.5 -2.8 97 99 A I E > - e 0 149A 0 -30,-2.0 3,-1.8 -2,-0.4 53,-0.2 -0.972 48.9 -27.0-135.7 149.5 12.7 9.1 -4.8 98 100 A C T >> S+ 0 0 22 51,-2.0 3,-1.1 -2,-0.3 4,-0.8 -0.240 130.8 6.6 54.8-127.8 11.4 9.0 -8.4 99 101 A G H 3> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.810 122.5 69.9 -55.8 -32.0 12.6 12.0 -10.3 100 102 A A H <> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.2 3,-0.4 0.912 96.0 52.9 -54.6 -41.6 14.8 13.2 -7.5 101 103 A V H <> S+ 0 0 0 -3,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.858 100.1 60.6 -65.6 -31.7 17.1 10.3 -8.1 102 104 A D H X S+ 0 0 27 -4,-0.8 4,-2.2 -3,-0.5 -1,-0.2 0.903 105.5 50.6 -59.7 -36.7 17.5 11.2 -11.8 103 105 A F H X S+ 0 0 5 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.924 109.6 49.2 -64.7 -46.0 18.9 14.5 -10.5 104 106 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 6,-0.5 0.926 111.4 49.6 -59.9 -46.3 21.3 12.7 -8.2 105 107 A A H ><5S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 5,-0.2 0.916 110.1 49.3 -58.9 -48.1 22.5 10.5 -11.0 106 108 A K H 3<5S+ 0 0 99 -4,-2.2 22,-0.3 1,-0.3 -1,-0.2 0.759 110.9 50.1 -66.3 -27.2 23.1 13.3 -13.5 107 109 A N T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.034 117.1-108.7-102.4 27.6 25.1 15.3 -11.0 108 110 A G T X 5S+ 0 0 17 -3,-1.4 3,-0.6 1,-0.1 -3,-0.2 0.656 81.6 126.8 57.8 23.5 27.4 12.5 -10.0 109 111 A L T 3 < + 0 0 22 -5,-2.7 -4,-0.2 -6,-0.2 3,-0.2 0.432 67.7 55.0 -89.7 0.9 25.9 12.0 -6.6 110 112 A L T > S+ 0 0 0 -6,-0.5 3,-1.0 -5,-0.2 23,-0.3 0.312 76.9 99.1-111.3 5.0 25.2 8.3 -7.0 111 113 A N T < S+ 0 0 29 -3,-0.6 21,-1.5 1,-0.2 22,-0.2 0.612 88.7 36.3 -71.0 -11.8 28.7 7.3 -7.9 112 114 A N T 3 S+ 0 0 102 -3,-0.2 2,-0.3 19,-0.2 -1,-0.2 0.156 108.3 64.9-127.4 20.0 29.7 6.1 -4.4 113 115 A H S < S- 0 0 37 -3,-1.0 20,-0.3 20,-0.2 2,-0.1 -0.984 80.0-112.7-140.8 149.3 26.5 4.4 -3.1 114 116 A S + 0 0 44 -2,-0.3 2,-0.3 32,-0.1 21,-0.1 -0.521 55.7 152.7 -74.0 155.0 24.5 1.4 -4.0 115 117 A H B -j 135 0D 0 19,-0.8 21,-3.6 -2,-0.1 2,-0.3 -0.971 36.1-147.2-168.4 178.8 21.1 2.6 -5.3 116 118 A T + 0 0 2 -2,-0.3 2,-0.3 19,-0.2 33,-0.3 -0.857 18.0 170.9-149.2 176.8 18.0 2.2 -7.5 117 119 A G - 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