==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 15-MAR-08 3CKJ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM PARATUBERCULOSIS; . AUTHOR Z.MARLAND,J.ROSSJOHN . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.7 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 0.3 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 . 1 0.3 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 . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 1 1 2 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 15 A G > 0 0 54 0, 0.0 3,-0.7 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -96.0 30.5 5.4 21.9 2 16 A L T 3 + 0 0 85 1,-0.2 3,-0.3 3,-0.1 9,-0.0 0.439 360.0 72.7 -78.6 1.7 28.0 5.5 19.1 3 17 A R T 3 S+ 0 0 247 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.601 111.9 21.4 -84.9 -14.3 28.4 1.7 19.2 4 18 A D S < S+ 0 0 84 -3,-0.7 2,-0.4 2,-0.1 -1,-0.3 -0.649 80.7 156.6-156.0 92.2 26.4 1.5 22.4 5 19 A T - 0 0 35 -3,-0.3 -3,-0.1 -2,-0.2 14,-0.0 -0.981 17.8-170.8-131.1 137.6 24.1 4.5 23.2 6 20 A R > - 0 0 141 -2,-0.4 3,-2.8 1,-0.1 223,-0.3 -0.836 46.8 -82.3-127.1 151.5 21.0 4.6 25.4 7 21 A P T 3 S+ 0 0 63 0, 0.0 223,-0.2 0, 0.0 3,-0.1 -0.282 119.8 38.8 -56.5 132.4 18.6 7.6 25.6 8 22 A G T 3 S+ 0 0 2 221,-3.3 222,-0.1 1,-0.4 10,-0.0 0.018 82.7 137.0 115.4 -22.3 20.2 10.2 27.9 9 23 A D < - 0 0 7 -3,-2.8 220,-2.5 220,-0.1 2,-0.5 -0.268 42.8-145.7 -66.0 140.1 23.8 9.6 26.8 10 24 A T E -AB 18 228A 8 8,-3.3 8,-2.6 218,-0.2 2,-0.6 -0.930 6.9-159.1-113.6 126.2 26.0 12.7 26.3 11 25 A W E -AB 17 227A 45 216,-2.7 216,-2.0 -2,-0.5 6,-0.2 -0.939 15.6-159.5-100.4 120.1 28.7 13.0 23.6 12 26 A L > - 0 0 37 4,-3.4 3,-0.9 -2,-0.6 214,-0.1 -0.447 30.8-101.2 -93.6 172.9 31.2 15.7 24.5 13 27 A A T 3 S+ 0 0 27 1,-0.3 210,-0.1 212,-0.2 2,-0.1 0.846 115.3 62.9 -67.8 -38.5 33.5 17.4 22.0 14 28 A D T 3 S- 0 0 115 1,-0.1 -1,-0.3 209,-0.1 3,-0.1 0.088 123.6 -99.8 -74.5 24.5 36.7 15.5 22.7 15 29 A R S < S+ 0 0 65 -3,-0.9 2,-0.2 1,-0.2 -2,-0.2 0.540 84.5 135.0 62.6 11.8 34.9 12.4 21.5 16 30 A S - 0 0 43 -15,-0.0 -4,-3.4 -5,-0.0 2,-0.3 -0.578 40.8-149.8 -86.4 153.5 34.2 11.3 25.1 17 31 A W E -A 11 0A 66 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.844 8.8-159.7-121.8 158.3 30.8 10.1 26.3 18 32 A N E -A 10 0A 86 -8,-2.6 -8,-3.3 -2,-0.3 -2,-0.0 -0.996 7.8-157.2-138.2 133.1 28.8 10.2 29.5 19 33 A R - 0 0 121 -2,-0.4 -10,-0.1 -10,-0.2 -11,-0.1 -0.938 32.4-127.0-106.6 107.2 25.9 8.0 30.7 20 34 A P - 0 0 31 0, 0.0 -11,-0.0 0, 0.0 118,-0.0 -0.205 27.5-178.7 -57.5 138.7 23.9 10.0 33.3 21 35 A G + 0 0 75 2,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.268 45.4 112.4-120.6 7.0 23.3 8.4 36.7 22 36 A W - 0 0 51 1,-0.1 2,-0.2 4,-0.0 119,-0.0 -0.433 60.8-132.4 -78.6 153.2 21.3 11.2 38.4 23 37 A T > - 0 0 73 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.606 32.4-107.9 -89.8 164.7 17.6 11.1 39.3 24 38 A V H > S+ 0 0 42 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.899 125.9 54.1 -58.3 -39.4 15.4 14.1 38.3 25 39 A A H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 109.2 47.0 -55.2 -50.9 15.4 14.9 42.1 26 40 A E H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.883 111.5 50.8 -60.3 -42.1 19.3 14.8 42.0 27 41 A L H < S+ 0 0 3 -4,-2.9 4,-0.5 2,-0.2 3,-0.5 0.948 107.8 53.2 -56.6 -51.4 19.4 17.0 38.9 28 42 A E H >< S+ 0 0 84 -4,-3.1 3,-1.2 1,-0.2 4,-0.3 0.872 108.0 51.3 -51.4 -39.4 17.1 19.5 40.6 29 43 A A H >< S+ 0 0 82 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.852 103.2 59.2 -66.7 -34.1 19.5 19.5 43.5 30 44 A A T 3< S+ 0 0 43 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.492 78.8 89.5 -73.6 -5.5 22.4 20.3 41.2 31 45 A K T X S- 0 0 17 -3,-1.2 3,-1.8 -4,-0.5 -1,-0.2 0.854 71.8-163.3 -62.3 -34.1 20.8 23.5 39.9 32 46 A A T < S- 0 0 84 -3,-1.0 3,-0.1 -4,-0.3 -2,-0.1 0.919 71.4 -41.2 51.3 54.7 22.6 25.4 42.7 33 47 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.096 109.0 127.1 84.6 -26.3 20.4 28.5 42.5 34 48 A R < - 0 0 80 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.3 -0.344 51.8-138.9 -62.0 144.1 20.3 28.5 38.7 35 49 A T - 0 0 45 82,-0.1 85,-1.7 -3,-0.1 2,-0.4 -0.765 7.2-145.0-108.4 158.1 16.8 28.6 37.2 36 50 A I E -c 120 0A 0 -2,-0.3 29,-2.2 82,-0.2 30,-1.5 -0.988 9.7-170.3-127.8 124.2 15.4 26.8 34.1 37 51 A S E -cd 121 66A 0 83,-2.9 85,-2.9 -2,-0.4 2,-0.5 -0.913 9.3-154.4-103.1 139.7 12.9 27.9 31.6 38 52 A V E -cd 122 67A 0 28,-2.6 30,-3.1 -2,-0.4 2,-0.5 -0.974 12.4-165.1-110.6 130.4 11.2 25.7 29.0 39 53 A V E -cd 123 68A 0 83,-3.2 85,-2.1 -2,-0.5 30,-0.2 -0.959 9.0-168.5-119.5 124.6 10.0 27.4 25.8 40 54 A L E - d 0 69A 0 28,-3.1 30,-2.0 -2,-0.5 2,-0.2 -0.923 13.8-150.7-109.9 105.0 7.7 25.8 23.3 41 55 A P E - d 0 70A 10 0, 0.0 85,-1.0 0, 0.0 2,-0.4 -0.516 23.9-171.7 -69.6 140.6 7.5 27.8 20.1 42 56 A A E + d 0 71A 2 28,-2.5 30,-3.3 -2,-0.2 2,-0.3 -0.989 26.7 166.7-143.3 133.3 4.0 27.2 18.6 43 57 A L S S- 0 0 85 -2,-0.4 28,-0.0 28,-0.2 62,-0.0 -0.874 83.7 -26.5-142.0 107.1 2.2 28.1 15.3 44 58 A D S S+ 0 0 56 -2,-0.3 3,-0.1 1,-0.1 27,-0.0 0.952 87.8 140.6 53.6 63.0 -1.1 26.3 14.7 45 59 A E >> + 0 0 18 1,-0.1 4,-2.6 2,-0.1 3,-0.6 -0.147 9.8 135.1-125.8 34.9 -0.3 23.2 16.9 46 60 A E T 34 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.736 70.2 53.5 -62.4 -27.9 -3.6 22.5 18.6 47 61 A D T 34 S+ 0 0 126 -3,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.851 122.9 23.7 -73.6 -37.0 -3.6 18.8 18.1 48 62 A T T <> S+ 0 0 19 -3,-0.6 4,-1.6 78,-0.1 3,-0.4 0.722 100.0 80.8-106.4 -27.4 -0.2 18.1 19.6 49 63 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.825 89.2 53.6 -59.7 -40.5 0.7 21.0 22.0 50 64 A G H > S+ 0 0 15 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.925 109.3 51.7 -58.2 -43.6 -1.3 19.8 25.1 51 65 A S H > S+ 0 0 53 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.869 109.7 47.9 -59.8 -44.1 0.5 16.4 24.9 52 66 A V H >X S+ 0 0 0 -4,-1.6 3,-0.7 74,-0.2 4,-0.5 0.962 112.9 48.4 -61.9 -52.3 3.9 18.1 24.8 53 67 A I H >X S+ 0 0 0 -4,-2.6 4,-3.9 1,-0.3 3,-2.0 0.900 108.1 56.0 -53.2 -45.9 3.0 20.3 27.8 54 68 A D H 3< S+ 0 0 95 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.823 100.0 58.1 -57.0 -35.2 1.7 17.2 29.6 55 69 A S H << S+ 0 0 17 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.667 120.5 29.7 -69.3 -15.6 5.1 15.5 29.2 56 70 A I H X< S+ 0 0 4 -3,-2.0 3,-3.4 -4,-0.5 4,-0.5 0.735 93.3 88.0-115.5 -38.9 6.7 18.5 31.0 57 71 A S G >< S+ 0 0 38 -4,-3.9 3,-2.7 1,-0.3 -3,-0.1 0.766 81.2 65.7 -21.6 -56.0 4.0 19.8 33.5 58 72 A P G 3 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.626 99.6 53.4 -56.3 -15.6 5.2 17.3 36.3 59 73 A L G X >S+ 0 0 21 -3,-3.4 3,-2.4 3,-0.1 5,-1.5 0.578 79.0 117.8 -89.9 -17.9 8.5 19.2 36.5 60 74 A V B < 5S+i 64 0B 48 -3,-2.7 5,-0.2 -4,-0.5 3,-0.1 -0.306 84.9 12.7 -65.9 134.4 7.1 22.7 37.0 61 75 A D T 3 5S+ 0 0 146 3,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.462 131.3 60.3 73.5 5.0 8.1 24.3 40.4 62 76 A G T < 5S- 0 0 16 -3,-2.4 -1,-0.2 2,-0.7 -2,-0.1 0.257 127.2 -13.8-117.0-110.7 10.7 21.4 40.6 63 77 A L T 5S+ 0 0 1 -3,-0.1 2,-0.5 1,-0.1 -27,-0.2 0.920 133.8 58.4 -62.5 -42.4 13.4 21.0 38.0 64 78 A V B < -i 60 0B 0 -5,-1.5 -3,-2.2 -8,-0.2 -2,-0.7 -0.794 62.6-171.6 -96.1 123.1 11.6 23.5 35.7 65 79 A D S S+ 0 0 64 -29,-2.2 2,-0.3 -2,-0.5 -28,-0.2 0.840 73.2 7.4 -81.7 -36.9 10.9 27.0 37.1 66 80 A E E -d 37 0A 41 -30,-1.5 -28,-2.6 -6,-0.1 2,-0.5 -0.997 56.8-156.6-147.1 145.8 8.7 28.2 34.2 67 81 A L E -d 38 0A 9 -2,-0.3 21,-2.1 -30,-0.2 2,-0.4 -0.980 21.4-177.7-122.9 118.4 7.0 26.7 31.1 68 82 A I E -de 39 88A 0 -30,-3.1 -28,-3.1 -2,-0.5 2,-0.6 -0.960 21.5-153.3-123.6 130.6 6.2 29.1 28.3 69 83 A V E -de 40 89A 0 19,-3.2 21,-3.0 -2,-0.4 2,-1.0 -0.900 14.6-152.2 -93.3 120.4 4.4 28.6 25.0 70 84 A L E -de 41 90A 0 -30,-2.0 -28,-2.5 -2,-0.6 2,-0.5 -0.817 14.3-153.1 -95.2 100.3 5.6 31.3 22.6 71 85 A D E -de 42 91A 20 19,-2.1 21,-1.1 -2,-1.0 -28,-0.2 -0.661 7.6-161.9 -80.9 122.0 2.6 31.6 20.3 72 86 A S - 0 0 14 -30,-3.3 32,-0.2 -2,-0.5 -1,-0.1 -0.128 68.3 -58.1-102.7 36.8 3.7 32.8 16.8 73 87 A G S S- 0 0 36 1,-0.1 -30,-0.1 -31,-0.1 -1,-0.1 0.780 72.7-177.3 96.7 32.3 0.3 34.0 15.5 74 88 A S - 0 0 20 -32,-0.3 -1,-0.1 1,-0.1 -3,-0.0 -0.287 17.0-174.2 -57.5 141.9 -1.8 30.9 15.8 75 89 A T + 0 0 133 4,-0.0 -1,-0.1 3,-0.0 2,-0.0 0.361 66.5 70.9-118.6 -2.4 -5.4 31.2 14.5 76 90 A D S S- 0 0 48 3,-0.0 3,-0.3 0, 0.0 -32,-0.1 0.061 111.3 -73.7 -87.2-153.3 -6.5 27.7 15.6 77 91 A D S > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.152 90.2 118.0 -96.2 18.5 -7.0 26.6 19.2 78 92 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 74.9 48.9 -48.1 -51.0 -3.3 26.4 20.2 79 93 A E H > S+ 0 0 37 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.944 113.2 42.6 -60.6 -55.4 -3.6 29.2 22.8 80 94 A I H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 114.8 52.1 -62.9 -36.8 -6.6 27.9 24.8 81 95 A R H X S+ 0 0 100 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.863 109.5 49.1 -66.5 -36.9 -5.3 24.3 24.6 82 96 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.2 4,-0.3 0.915 111.7 48.5 -68.1 -44.6 -1.9 25.3 26.0 83 97 A V H ><5S+ 0 0 89 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.932 108.9 54.1 -60.0 -45.3 -3.6 27.3 28.9 84 98 A A H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.0 51.2 -60.5 -32.7 -5.8 24.3 29.7 85 99 A A T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.420 126.4-101.0 -86.0 -1.6 -2.8 22.0 30.0 86 100 A G T < 5S+ 0 0 58 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.570 75.5 133.6 98.5 10.9 -1.1 24.5 32.4 87 101 A A < - 0 0 8 -5,-2.4 2,-0.5 -21,-0.1 -1,-0.3 -0.646 57.7-118.9 -90.0 150.5 1.4 26.4 30.3 88 102 A R E -e 68 0A 128 -21,-2.1 -19,-3.2 -2,-0.3 2,-0.5 -0.776 30.3-147.4 -82.1 125.9 1.8 30.1 30.3 89 103 A V E -e 69 0A 33 -2,-0.5 2,-0.4 -21,-0.2 -19,-0.2 -0.889 18.2-179.7-104.1 128.3 1.1 31.4 26.8 90 104 A V E -e 70 0A 8 -21,-3.0 -19,-2.1 -2,-0.5 2,-0.1 -0.993 15.6-145.8-125.8 123.8 3.0 34.5 25.5 91 105 A S E > -e 71 0A 23 -2,-0.4 4,-2.3 -21,-0.2 -19,-0.2 -0.406 31.8-105.7 -79.3 167.0 2.4 36.0 22.0 92 106 A R H > S+ 0 0 42 -21,-1.1 4,-1.4 1,-0.2 -1,-0.1 0.916 123.2 50.0 -55.8 -43.8 5.2 37.6 20.0 93 107 A E H 4 S+ 0 0 96 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.905 110.5 48.1 -60.9 -46.5 3.7 41.0 20.8 94 108 A Q H 4 S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.858 107.0 57.0 -66.7 -36.4 3.5 40.3 24.5 95 109 A A H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 133.0 1.4 -60.8 -38.2 7.1 39.0 24.7 96 110 A L >< + 0 0 1 -4,-1.4 3,-1.2 -3,-0.2 -1,-0.3 -0.573 68.3 173.4-155.6 76.1 8.6 42.2 23.3 97 111 A P T 3 S+ 0 0 87 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.701 73.5 64.5 -64.6 -20.3 5.9 44.9 22.6 98 112 A E T 3 S+ 0 0 112 2,-0.1 -5,-0.1 -5,-0.0 0, 0.0 0.273 94.0 65.3 -94.9 11.1 8.4 47.7 21.7 99 113 A V S < S- 0 0 23 -3,-1.2 -3,-0.1 -6,-0.1 -1,-0.0 -0.997 87.7-115.7-131.7 127.6 9.8 46.0 18.5 100 114 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.238 38.7-105.8 -59.8 148.2 7.8 45.3 15.4 101 115 A I - 0 0 56 -4,-0.1 -8,-0.0 1,-0.0 -9,-0.0 -0.529 27.8-162.2 -81.9 140.3 7.3 41.7 14.5 102 116 A R - 0 0 101 -2,-0.2 5,-0.1 2,-0.1 6,-0.0 -0.887 29.2-107.1-107.8 149.3 9.0 39.9 11.7 103 117 A P + 0 0 116 0, 0.0 102,-0.5 0, 0.0 4,-0.2 -0.288 69.2 60.0 -70.3 161.9 7.7 36.6 10.3 104 118 A G S > S- 0 0 33 -32,-0.2 4,-1.1 100,-0.1 3,-0.3 -0.092 85.2 -80.8 109.5 160.2 9.4 33.2 11.0 105 119 A K H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.886 118.4 60.2 -63.2 -47.2 10.4 30.8 13.6 106 120 A G H > S+ 0 0 2 99,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.856 101.8 55.5 -51.2 -40.7 13.7 32.5 14.6 107 121 A E H > S+ 0 0 7 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.907 107.5 49.0 -58.3 -46.9 11.7 35.7 15.5 108 122 A A H X S+ 0 0 1 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.900 112.5 46.5 -61.2 -44.2 9.6 33.6 18.0 109 123 A L H X S+ 0 0 3 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.915 113.5 49.6 -66.8 -41.6 12.7 32.0 19.6 110 124 A W H >X S+ 0 0 1 -4,-2.8 3,-1.5 -5,-0.2 4,-0.7 0.952 110.5 49.0 -60.6 -47.5 14.4 35.3 19.9 111 125 A R H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.3 3,-1.0 0.844 100.4 66.7 -61.8 -34.6 11.4 37.0 21.5 112 126 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.759 90.3 64.8 -59.7 -23.8 11.1 34.1 23.9 113 127 A L H << S+ 0 0 2 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.878 104.7 44.7 -62.2 -38.4 14.4 35.3 25.4 114 128 A A H << S+ 0 0 5 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.796 114.2 49.3 -74.9 -30.2 12.7 38.5 26.5 115 129 A A H < S+ 0 0 8 -4,-1.4 2,-0.2 -25,-0.1 -2,-0.2 0.753 105.9 67.2 -81.3 -23.9 9.6 36.6 27.8 116 130 A S < - 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