==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-10 3O63 . COMPND 2 MOLECULE: PROBABLE THIAMINE-PHOSPHATE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.M.MCCULLOCH,D.RAMAMOORTHY,K.ISHIDA,W.C.GUIDA,T.P.BEGLEY,S. . 424 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 6 3 3 2 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 H > 0 0 186 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -76.1 -32.3 18.8 5.7 2 1 A M H > + 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.764 360.0 69.3 -71.9 -26.4 -30.1 20.5 8.3 3 2 A H H > S+ 0 0 36 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.898 94.6 53.1 -60.8 -43.3 -26.9 19.3 6.6 4 3 A E H > S+ 0 0 83 -3,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.912 110.4 49.7 -57.2 -43.0 -27.4 21.5 3.5 5 4 A S H X S+ 0 0 34 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.887 113.2 44.6 -63.0 -43.5 -27.7 24.5 5.9 6 5 A R H X S+ 0 0 10 -4,-2.1 4,-1.1 2,-0.2 3,-0.5 0.902 115.8 47.5 -70.2 -39.9 -24.6 23.6 7.8 7 6 A L H >< S+ 0 0 1 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.937 103.4 63.0 -63.8 -46.8 -22.7 22.9 4.6 8 7 A A H 3< S+ 0 0 50 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.7 35.3 -49.1 -32.2 -23.9 26.2 3.1 9 8 A S H 3< S+ 0 0 19 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.591 88.9 118.1-101.1 -14.0 -22.0 28.1 5.8 10 9 A A << + 0 0 0 -4,-1.1 3,-0.1 -3,-0.9 27,-0.1 -0.294 25.3 162.2 -58.0 132.7 -19.0 25.9 6.2 11 10 A R + 0 0 36 1,-0.2 179,-2.4 178,-0.1 2,-0.7 0.629 59.6 60.8-121.6 -31.6 -15.7 27.6 5.3 12 11 A L E -a 190 0A 0 24,-0.3 26,-2.3 177,-0.2 27,-1.4 -0.886 62.6-177.4-109.7 107.9 -13.0 25.4 6.9 13 12 A Y E -ab 191 39A 0 177,-3.0 179,-3.3 -2,-0.7 2,-0.4 -0.876 5.5-164.8-105.4 130.0 -12.9 21.8 5.7 14 13 A L E -ab 192 40A 0 25,-3.0 27,-3.5 -2,-0.4 2,-0.5 -0.953 9.1-164.6-121.0 134.4 -10.4 19.3 7.1 15 14 A C E + b 0 41A 10 177,-2.0 2,-0.4 -2,-0.4 27,-0.2 -0.962 18.7 178.0-113.4 126.7 -9.3 15.9 5.8 16 15 A T E - b 0 42A 2 25,-3.4 27,-2.7 -2,-0.5 2,-0.1 -0.972 24.9-132.5-133.7 146.2 -7.6 13.6 8.2 17 16 A D - 0 0 17 -2,-0.4 27,-0.2 25,-0.2 28,-0.0 -0.405 42.5 -98.1 -83.2 170.0 -6.1 10.1 8.1 18 17 A A - 0 0 9 -2,-0.1 7,-0.2 1,-0.1 5,-0.1 0.624 43.1-138.7 -65.8 -14.2 -7.0 7.6 10.9 19 18 A R >> + 0 0 8 1,-0.1 4,-2.2 5,-0.1 3,-1.7 0.861 40.3 163.7 55.8 40.3 -3.6 8.5 12.6 20 19 A R T 34 + 0 0 67 1,-0.3 -1,-0.1 2,-0.2 5,-0.0 0.767 69.4 56.6 -58.3 -28.5 -3.1 4.8 13.4 21 20 A E T 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.552 115.3 36.0 -83.2 -7.0 0.6 5.4 14.1 22 21 A R T <4 S- 0 0 128 -3,-1.7 -2,-0.2 0, 0.0 -1,-0.2 0.629 85.8-149.9-114.6 -25.5 -0.1 8.1 16.7 23 22 A G < + 0 0 62 -4,-2.2 3,-0.1 1,-0.1 -3,-0.1 0.683 66.7 108.7 61.3 21.0 -3.2 6.7 18.4 24 23 A D > + 0 0 45 -5,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.034 30.0 125.2-115.6 30.2 -4.4 10.3 19.2 25 24 A L H > S+ 0 0 12 -7,-0.2 4,-2.7 -6,-0.2 5,-0.3 0.953 74.0 47.3 -53.4 -57.5 -7.3 10.5 16.7 26 25 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 117.0 41.7 -50.6 -57.0 -9.9 11.4 19.3 27 26 A Q H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 113.7 54.2 -61.1 -37.9 -7.9 14.1 21.0 28 27 A F H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.899 108.9 47.3 -63.2 -41.7 -6.6 15.4 17.6 29 28 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.866 109.8 54.6 -67.8 -36.6 -10.2 15.8 16.3 30 29 A E H X S+ 0 0 50 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.969 109.9 46.3 -58.1 -56.3 -11.2 17.5 19.6 31 30 A A H X S+ 0 0 27 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.936 115.8 45.4 -53.0 -51.1 -8.5 20.1 19.2 32 31 A A H <>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 -1,-0.2 0.874 115.5 45.2 -63.4 -41.8 -9.2 20.7 15.5 33 32 A L H ><5S+ 0 0 8 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.851 110.0 54.6 -72.4 -33.3 -13.0 20.9 15.9 34 33 A A H 3<5S+ 0 0 8 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.727 103.6 61.1 -70.3 -18.0 -12.6 23.2 19.0 35 34 A G T 3<5S- 0 0 2 -4,-0.9 175,-0.3 -5,-0.3 -1,-0.3 0.434 130.1 -87.1 -88.5 -0.5 -10.5 25.3 16.6 36 35 A G T < 5 + 0 0 15 -3,-1.4 -24,-0.3 1,-0.3 2,-0.2 0.473 66.9 158.1 113.0 0.0 -13.3 26.0 14.1 37 36 A V < - 0 0 5 -5,-1.6 -1,-0.3 1,-0.2 -24,-0.2 -0.431 19.1-170.5 -61.0 125.4 -13.3 23.1 11.7 38 37 A D S S+ 0 0 6 -26,-2.3 40,-2.2 1,-0.3 2,-0.4 0.756 70.7 21.9 -88.9 -30.4 -16.8 23.0 10.1 39 38 A I E -bc 13 78A 2 -27,-1.4 -25,-3.0 38,-0.2 2,-0.4 -0.997 66.0-165.4-141.4 134.0 -16.4 19.7 8.2 40 39 A I E -bc 14 79A 0 38,-2.4 40,-2.7 -2,-0.4 2,-0.4 -0.982 5.9-164.7-126.6 128.4 -14.1 16.9 8.9 41 40 A Q E -bc 15 80A 3 -27,-3.5 -25,-3.4 -2,-0.4 2,-0.7 -0.928 18.0-136.6-116.4 133.7 -13.4 14.0 6.5 42 41 A L E +bc 16 81A 2 38,-2.3 40,-1.2 -2,-0.4 2,-0.3 -0.757 36.6 158.3 -84.2 115.0 -11.7 10.7 7.2 43 42 A R + 0 0 92 -27,-2.7 -2,-0.1 -2,-0.7 40,-0.0 -0.818 7.9 165.8-142.1 96.3 -9.3 10.1 4.2 44 43 A D > + 0 0 12 -2,-0.3 3,-2.0 -27,-0.2 6,-0.4 0.636 33.3 124.4 -87.3 -18.8 -6.6 7.6 5.1 45 44 A K T 3 S+ 0 0 104 1,-0.3 4,-0.0 5,-0.1 -2,-0.0 -0.141 83.9 6.0 -46.3 128.1 -5.4 6.9 1.6 46 45 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.684 97.2 143.5 69.5 18.7 -1.6 7.6 1.2 47 46 A S <> - 0 0 7 -3,-2.0 4,-2.0 1,-0.1 -1,-0.2 -0.301 68.5-108.1 -84.3 169.5 -1.2 8.2 5.0 48 47 A P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.886 123.7 55.6 -64.7 -33.3 1.8 7.2 7.1 49 48 A G H >>S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.889 105.8 48.5 -64.2 -39.9 -0.5 4.6 8.6 50 49 A E H >5S+ 0 0 54 -6,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.867 111.5 51.3 -68.9 -34.6 -1.3 3.2 5.2 51 50 A L H <5S+ 0 0 147 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 118.7 36.3 -70.5 -32.4 2.4 3.1 4.3 52 51 A R H <5S+ 0 0 167 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.782 136.2 15.4 -92.3 -30.3 3.3 1.2 7.6 53 52 A F H <5S- 0 0 120 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.457 105.1-118.0-122.9 -6.4 0.3 -1.1 8.1 54 53 A G << - 0 0 21 -4,-1.2 -1,-0.2 -5,-0.5 -2,-0.1 -0.245 59.9 -15.5 92.9 175.6 -1.4 -1.1 4.7 55 54 A P S S- 0 0 95 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.090 80.1 -97.9 -50.4 150.2 -4.9 0.0 3.6 56 55 A L - 0 0 23 1,-0.1 2,-0.1 4,-0.1 -12,-0.0 -0.564 36.1-132.6 -75.2 128.4 -7.4 0.5 6.4 57 56 A Q > - 0 0 136 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.446 23.2-110.1 -77.8 157.0 -9.7 -2.4 6.9 58 57 A A H > S+ 0 0 34 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 114.7 53.7 -54.4 -46.0 -13.5 -1.8 7.2 59 58 A R H > S+ 0 0 212 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 113.8 41.7 -57.5 -49.2 -13.7 -2.7 10.9 60 59 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 113.2 54.1 -65.7 -41.5 -10.9 -0.3 11.9 61 60 A E H X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 107.9 49.8 -60.1 -42.8 -12.3 2.4 9.5 62 61 A L H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.891 108.4 53.9 -61.7 -39.4 -15.7 2.1 11.2 63 62 A A H X S+ 0 0 58 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.922 111.0 45.1 -60.9 -44.4 -14.1 2.5 14.6 64 63 A A H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.841 109.7 56.1 -68.7 -33.5 -12.4 5.7 13.4 65 64 A C H X S+ 0 0 0 -4,-2.2 4,-3.8 -5,-0.2 5,-0.3 0.903 104.9 52.0 -65.0 -41.4 -15.6 7.0 11.9 66 65 A E H X S+ 0 0 85 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.909 110.9 48.0 -63.1 -40.6 -17.4 6.6 15.2 67 66 A I H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.981 118.3 39.7 -62.5 -54.3 -14.8 8.6 16.9 68 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.881 115.0 52.3 -63.0 -40.1 -14.8 11.3 14.3 69 68 A A H X S+ 0 0 8 -4,-3.8 4,-2.1 -5,-0.2 -1,-0.2 0.884 110.6 48.0 -64.6 -39.4 -18.6 11.3 13.9 70 69 A D H X S+ 0 0 91 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.905 114.0 45.6 -68.5 -43.3 -19.2 11.7 17.6 71 70 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.2 6,-0.2 0.943 112.0 51.8 -65.2 -47.7 -16.7 14.6 18.0 72 71 A A H ><>S+ 0 0 0 -4,-2.6 5,-3.5 1,-0.2 3,-0.6 0.938 112.0 46.1 -54.2 -50.2 -18.1 16.4 14.9 73 72 A H H ><5S+ 0 0 95 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.822 106.9 57.4 -65.9 -31.0 -21.6 16.2 16.1 74 73 A R H 3<5S+ 0 0 56 -4,-1.7 148,-0.6 1,-0.2 -1,-0.3 0.800 113.2 41.6 -70.4 -24.6 -20.7 17.4 19.6 75 74 A Y T <<5S- 0 0 23 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.393 117.9-109.9-101.1 3.9 -19.2 20.5 18.0 76 75 A G T < 5S+ 0 0 32 -3,-0.7 -3,-0.2 -4,-0.4 2,-0.2 0.770 75.9 132.7 74.7 25.2 -22.0 21.0 15.5 77 76 A A < - 0 0 5 -5,-3.5 2,-0.3 -6,-0.2 -1,-0.2 -0.518 57.6-106.9-102.6 172.8 -19.8 20.0 12.6 78 77 A L E -c 39 0A 6 -40,-2.2 -38,-2.4 -2,-0.2 2,-0.5 -0.764 23.1-144.2-101.6 146.9 -20.4 17.6 9.7 79 78 A F E -c 40 0A 0 -2,-0.3 15,-1.9 -40,-0.2 16,-1.9 -0.951 17.8-171.0-114.5 127.4 -18.7 14.3 9.3 80 79 A A E -cd 41 95A 0 -40,-2.7 -38,-2.3 -2,-0.5 2,-0.4 -0.889 11.0-156.0-119.7 146.8 -17.6 12.9 5.9 81 80 A V E -cd 42 96A 0 14,-2.9 16,-2.8 -2,-0.3 2,-0.4 -0.934 22.6-123.2-117.9 141.5 -16.4 9.6 4.7 82 81 A N E - d 0 97A 20 -40,-1.2 2,-2.7 -2,-0.4 16,-0.2 -0.728 66.9 -35.9 -93.7 130.1 -14.3 9.1 1.6 83 82 A D S S+ 0 0 52 14,-3.1 2,-0.9 -2,-0.4 20,-0.3 -0.194 103.2 99.1 62.5 -50.2 -15.2 6.8 -1.3 84 83 A R > - 0 0 88 -2,-2.7 4,-2.2 1,-0.2 5,-0.1 -0.589 42.9-178.2 -78.9 108.0 -16.9 3.9 0.5 85 84 A A H > S+ 0 0 1 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.779 84.9 56.1 -71.0 -27.1 -20.7 4.2 0.5 86 85 A D H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 108.7 45.4 -72.5 -39.6 -21.0 1.1 2.5 87 86 A I H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 111.5 54.7 -65.9 -43.8 -18.8 2.5 5.3 88 87 A A H X>S+ 0 0 1 -4,-2.2 5,-2.2 1,-0.2 4,-0.7 0.890 110.9 43.7 -57.2 -43.1 -20.7 5.8 5.1 89 88 A R H <5S+ 0 0 165 -4,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.887 114.3 49.3 -71.7 -38.5 -24.1 4.1 5.6 90 89 A A H <5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.6 41.7 -67.2 -34.7 -22.8 1.9 8.4 91 90 A A H <5S- 0 0 10 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.512 105.6-126.9 -90.4 -6.1 -21.3 4.9 10.2 92 91 A G T <5 - 0 0 49 -4,-0.7 -3,-0.2 -3,-0.3 -13,-0.1 0.867 40.4-173.9 62.5 35.3 -24.2 7.2 9.5 93 92 A A < - 0 0 6 -5,-2.2 -13,-0.2 -6,-0.2 -1,-0.1 -0.231 29.2-140.6 -60.8 150.8 -21.9 9.8 8.0 94 93 A D S S+ 0 0 12 -15,-1.9 23,-2.6 1,-0.2 2,-0.4 0.741 85.7 33.2 -82.5 -23.6 -23.4 13.2 7.1 95 94 A V E -de 80 117A 2 -16,-1.9 -14,-2.9 21,-0.2 2,-0.5 -0.990 57.4-160.7-140.3 141.4 -21.3 13.2 3.9 96 95 A L E -de 81 118A 0 21,-2.7 23,-2.2 -2,-0.4 2,-0.6 -0.981 19.1-155.2-117.0 119.0 -19.9 10.9 1.3 97 96 A H E -de 82 119A 4 -16,-2.8 -14,-3.1 -2,-0.5 2,-0.5 -0.871 9.2-168.4 -99.8 123.9 -17.0 12.4 -0.7 98 97 A L E - e 0 120A 0 21,-2.9 23,-1.2 -2,-0.6 7,-0.1 -0.933 4.3-159.3-116.4 116.6 -16.4 10.9 -4.2 99 98 A G > - 0 0 8 -2,-0.5 3,-1.1 21,-0.2 23,-0.1 -0.187 42.7 -91.2 -77.4 179.7 -13.3 11.7 -6.2 100 99 A Q T 3 S+ 0 0 72 1,-0.2 -1,-0.1 4,-0.0 22,-0.0 0.846 127.0 43.2 -63.7 -34.2 -13.3 11.2 -10.0 101 100 A R T 3 S+ 0 0 219 3,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.328 100.5 88.2 -95.1 8.7 -12.0 7.6 -9.7 102 101 A D S < S- 0 0 34 -3,-1.1 3,-0.1 1,-0.2 -4,-0.1 -0.219 93.0 -42.5 -93.0-171.7 -14.3 6.5 -6.8 103 102 A L S S- 0 0 58 -20,-0.3 -1,-0.2 1,-0.1 2,-0.1 -0.064 70.0 -96.4 -50.7 146.7 -17.8 5.0 -6.9 104 103 A P >> - 0 0 64 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.455 28.2-127.4 -68.8 138.5 -20.3 6.5 -9.3 105 104 A V H 3> S+ 0 0 21 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 108.9 53.1 -51.0 -50.8 -22.6 9.1 -7.7 106 105 A N H 34 S+ 0 0 110 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.792 108.7 50.9 -59.0 -27.5 -25.8 7.4 -8.9 107 106 A V H X> S+ 0 0 57 -3,-0.9 3,-1.2 2,-0.2 4,-0.8 0.926 110.3 48.6 -74.8 -44.6 -24.6 4.2 -7.4 108 107 A A H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 3,-1.0 0.886 103.4 60.4 -61.0 -40.1 -23.9 5.8 -4.1 109 108 A R H 3< S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.666 100.4 58.5 -63.3 -14.8 -27.3 7.5 -4.1 110 109 A Q H <4 S+ 0 0 155 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.793 114.6 33.6 -81.7 -31.6 -28.8 4.0 -4.2 111 110 A I H << S+ 0 0 56 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.841 101.0 85.2 -92.7 -40.7 -27.1 3.0 -0.9 112 111 A L S < S- 0 0 14 -4,-2.7 -26,-0.1 1,-0.1 -27,-0.0 -0.313 88.4-100.1 -70.7 146.3 -27.0 6.1 1.2 113 112 A A > - 0 0 44 1,-0.1 3,-2.2 2,-0.1 -1,-0.1 -0.376 44.8-109.1 -58.3 142.1 -29.8 7.3 3.4 114 113 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.734 115.0 56.2 -48.2 -30.9 -31.7 10.0 1.3 115 114 A D T 3 S+ 0 0 65 2,-0.1 -112,-0.1 -112,-0.0 2,-0.1 0.493 79.3 113.1 -85.4 -2.4 -30.4 12.9 3.5 116 115 A T < - 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