==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSFER PROTEIN 25-SEP-98 1BWO . COMPND 2 MOLECULE: NONSPECIFIC LIPID-TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR D.CHARVOLIN,C.COHEN-ADDAD,E.PEBAY-PEYROULA . 180 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 66.1 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 . 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 . 12 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 2 0 0 2 0 1 0 0 2 0 2 0 0 0 0 0 0 0 0 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 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 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 1 A I 0 0 53 0, 0.0 2,-0.4 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 150.8 -5.9 21.9 1.1 2 2 A D > - 0 0 108 1,-0.1 4,-2.4 2,-0.0 3,-0.4 -0.609 360.0-147.8 -79.1 125.7 -6.1 21.2 4.9 3 3 A a H > S+ 0 0 64 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.750 99.4 59.1 -60.7 -26.9 -3.3 22.8 7.0 4 4 A G H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 108.2 44.5 -68.7 -42.7 -3.4 19.9 9.4 5 5 A H H > S+ 0 0 70 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.931 112.6 51.2 -65.6 -47.0 -2.6 17.5 6.6 6 6 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.4 0.949 108.8 52.8 -54.7 -50.0 0.1 19.8 5.2 7 7 A D H X S+ 0 0 52 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.877 107.1 51.7 -53.1 -44.1 1.6 20.0 8.7 8 8 A S H < S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 107.0 53.9 -64.2 -35.7 1.7 16.2 9.0 9 9 A L H < S+ 0 0 24 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.892 119.0 31.4 -67.1 -40.2 3.6 15.8 5.7 10 10 A V H >< S+ 0 0 21 -4,-1.8 3,-2.7 20,-0.2 4,-0.3 0.484 85.6 102.9 -99.6 -3.6 6.4 18.2 6.6 11 11 A R G >< S+ 0 0 169 -4,-1.4 3,-1.9 1,-0.3 4,-0.2 0.853 75.2 63.9 -46.9 -41.9 6.6 17.6 10.4 12 12 A P G 3 S+ 0 0 51 0, 0.0 15,-0.3 0, 0.0 -1,-0.3 0.611 92.0 65.9 -60.2 -12.7 9.7 15.4 9.8 13 13 A b G <> S+ 0 0 8 -3,-2.7 4,-2.5 14,-0.2 3,-0.3 0.521 74.5 93.7 -85.9 -9.2 11.6 18.5 8.5 14 14 A L H <> S+ 0 0 72 -3,-1.9 4,-1.0 -4,-0.3 6,-0.2 0.903 80.6 50.8 -50.0 -54.3 11.5 20.3 11.8 15 15 A S H 4>S+ 0 0 70 -3,-0.3 5,-2.2 -4,-0.2 -1,-0.2 0.864 113.8 46.7 -56.6 -38.1 14.9 19.2 13.1 16 16 A Y H >45S+ 0 0 12 -3,-0.3 3,-2.0 -4,-0.3 -1,-0.2 0.923 108.6 52.3 -71.6 -45.6 16.6 20.2 9.9 17 17 A V H 3<5S+ 0 0 11 -4,-2.5 45,-3.3 1,-0.3 49,-0.2 0.631 105.2 59.4 -67.5 -10.3 15.0 23.7 9.7 18 18 A Q T 3<5S- 0 0 88 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.245 132.5 -86.7-100.0 11.7 16.1 24.3 13.2 19 19 A G T < 5S+ 0 0 46 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.438 87.2 126.7 102.1 -0.1 19.8 23.8 12.3 20 20 A G < - 0 0 24 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.0 -0.239 68.0 -74.2 -84.7 176.5 20.2 20.1 12.6 21 21 A P S S+ 0 0 127 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.340 80.9 11.2 -69.7 152.3 21.6 17.6 10.1 22 22 A G - 0 0 39 1,-0.2 2,-0.1 -6,-0.1 -9,-0.0 -0.976 53.3-119.7 150.9-159.8 19.4 16.7 7.1 23 23 A P - 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.440 57.2-146.9 -73.7 142.3 17.2 16.9 5.3 24 24 A S > - 0 0 44 -12,-0.3 4,-2.2 -3,-0.2 3,-0.3 -0.256 23.3-108.6 -72.3 163.6 16.1 13.3 6.3 25 25 A G H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 120.2 56.7 -61.4 -34.8 14.4 11.0 3.8 26 26 A Q H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.866 106.3 49.9 -65.1 -36.4 11.2 11.3 5.7 27 27 A b H > S+ 0 0 0 -15,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.967 112.1 47.3 -65.4 -51.7 11.3 15.1 5.3 28 28 A c H X S+ 0 0 17 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.884 110.5 52.0 -57.4 -41.6 11.9 14.8 1.5 29 29 A D H X S+ 0 0 90 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.912 108.8 50.3 -62.7 -43.1 9.1 12.2 1.1 30 30 A G H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.916 112.1 47.7 -61.0 -42.8 6.7 14.5 2.8 31 31 A V H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.889 112.7 48.4 -65.7 -39.0 7.7 17.3 0.6 32 32 A K H X S+ 0 0 89 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.904 111.4 50.4 -68.2 -40.0 7.4 15.1 -2.5 33 33 A N H X S+ 0 0 74 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.905 110.9 48.5 -64.4 -41.1 4.0 13.9 -1.4 34 34 A L H X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.2 3,-0.2 0.921 110.6 51.3 -63.9 -42.8 2.8 17.5 -0.9 35 35 A H H < S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.9 49.2 -61.2 -35.8 4.2 18.5 -4.3 36 36 A N H < S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.763 117.6 39.7 -75.7 -27.2 2.2 15.5 -5.8 37 37 A Q H < S+ 0 0 90 -4,-1.6 2,-1.8 -3,-0.2 3,-0.3 0.834 99.8 70.2 -92.6 -37.9 -1.0 16.5 -4.0 38 38 A A < + 0 0 14 -4,-3.0 -1,-0.2 1,-0.2 -4,-0.0 -0.575 62.2 133.6 -83.3 80.9 -1.1 20.3 -4.3 39 39 A R + 0 0 161 -2,-1.8 -1,-0.2 -3,-0.1 -2,-0.1 0.871 43.3 70.1 -99.4 -45.7 -1.7 20.5 -8.1 40 40 A S S > S- 0 0 55 -3,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.361 90.1-109.4 -73.7 158.5 -4.5 23.0 -8.8 41 41 A Q H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 118.8 53.5 -53.6 -42.9 -3.8 26.7 -8.3 42 42 A S H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 110.4 46.2 -60.9 -41.6 -6.0 26.9 -5.3 43 43 A D H > S+ 0 0 50 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.851 112.5 49.7 -70.4 -36.5 -4.2 24.0 -3.6 44 44 A R H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 115.7 43.4 -67.1 -44.8 -0.8 25.4 -4.3 45 45 A Q H X S+ 0 0 60 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.897 116.0 48.4 -66.0 -41.1 -1.9 28.8 -3.0 46 46 A S H X S+ 0 0 40 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.939 113.3 46.5 -63.6 -48.9 -3.6 27.1 -0.0 47 47 A A H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.858 111.3 53.4 -62.4 -36.4 -0.5 24.9 0.7 48 48 A d H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.957 108.9 47.2 -64.2 -50.2 1.7 28.0 0.4 49 49 A N H X S+ 0 0 88 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.866 113.3 51.0 -59.2 -38.4 -0.3 30.0 2.9 50 50 A a H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.953 110.5 46.4 -63.1 -54.0 -0.3 27.0 5.3 51 51 A L H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.836 111.4 52.3 -60.0 -36.2 3.5 26.5 5.1 52 52 A K H X S+ 0 0 63 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.872 111.4 47.0 -69.6 -35.4 4.2 30.2 5.6 53 53 A G H < S+ 0 0 49 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.850 114.0 47.1 -73.0 -34.9 2.0 30.2 8.7 54 54 A I H >< S+ 0 0 40 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.887 110.5 52.4 -72.3 -40.4 3.6 27.0 10.0 55 55 A A H >< S+ 0 0 21 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.882 102.8 58.6 -63.0 -40.3 7.1 28.3 9.4 56 56 A R T 3< S+ 0 0 172 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.587 102.4 55.5 -67.2 -11.4 6.4 31.6 11.3 57 57 A G T < S+ 0 0 67 -3,-1.1 2,-0.6 -4,-0.3 -1,-0.3 0.406 83.2 103.1-101.6 2.3 5.6 29.6 14.4 58 58 A I X - 0 0 40 -3,-1.7 3,-1.0 -4,-0.2 2,-0.2 -0.760 69.5-133.6 -91.6 121.2 8.9 27.7 14.5 59 59 A H T 3 S+ 0 0 148 -2,-0.6 -2,-0.1 1,-0.3 -3,-0.0 -0.490 87.6 7.1 -71.8 138.1 11.4 29.0 17.1 60 60 A N T 3 S- 0 0 122 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.887 86.5-175.2 58.3 41.8 14.9 29.4 15.8 61 61 A L < - 0 0 44 -3,-1.0 2,-0.8 -6,-0.1 -43,-0.2 -0.476 19.0-144.6 -68.8 138.1 13.9 28.7 12.2 62 62 A N > - 0 0 59 -45,-3.3 4,-2.3 1,-0.2 3,-0.3 -0.886 13.4-171.8-106.2 100.6 16.8 28.6 9.9 63 63 A E H > S+ 0 0 61 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.819 83.7 58.8 -62.5 -31.4 15.6 30.1 6.6 64 64 A D H > S+ 0 0 109 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.902 110.4 42.6 -64.5 -39.8 18.7 29.1 4.8 65 65 A N H 4 S+ 0 0 25 -3,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.898 114.0 50.8 -72.2 -41.6 18.2 25.5 5.7 66 66 A A H >< S+ 0 0 22 -4,-2.3 3,-1.1 -49,-0.2 -2,-0.2 0.884 107.9 54.1 -63.0 -39.7 14.5 25.6 4.9 67 67 A R H 3< S+ 0 0 81 -4,-2.5 14,-0.3 1,-0.2 -1,-0.2 0.831 105.1 53.6 -64.7 -34.6 15.2 27.2 1.5 68 68 A S T 3X S+ 0 0 26 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.451 83.6 91.1 -82.3 -0.2 17.6 24.4 0.5 69 69 A I H <> S+ 0 0 16 -3,-1.1 4,-2.0 -4,-0.3 6,-0.3 0.955 84.4 48.9 -62.3 -52.5 15.0 21.7 1.2 70 70 A P H >>S+ 0 0 13 0, 0.0 5,-2.3 0, 0.0 4,-0.5 0.959 116.4 41.1 -55.0 -53.4 13.5 21.5 -2.3 71 71 A P H >45S+ 0 0 92 0, 0.0 3,-0.8 0, 0.0 -2,-0.2 0.900 116.7 48.9 -62.8 -37.2 16.9 21.4 -4.2 72 72 A K H 3<5S+ 0 0 135 -4,-2.3 -3,-0.2 1,-0.2 -44,-0.1 0.766 112.4 49.3 -72.7 -22.9 18.4 19.0 -1.7 73 73 A c H 3<5S- 0 0 10 -4,-2.0 -1,-0.2 -3,-0.3 3,-0.1 0.416 116.6-111.5 -94.1 -1.4 15.4 16.7 -1.9 74 74 A G T <<5S+ 0 0 43 -3,-0.8 2,-0.8 -4,-0.5 -2,-0.1 0.655 73.2 134.9 81.6 14.4 15.3 16.6 -5.6 75 75 A V < - 0 0 11 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.2 -0.866 44.4-151.0-100.5 108.2 12.1 18.6 -6.0 76 76 A N - 0 0 146 -2,-0.8 0, 0.0 -3,-0.1 0, 0.0 -0.682 15.3-176.6 -85.4 121.5 12.7 21.2 -8.8 77 77 A L - 0 0 54 -2,-0.5 4,-0.0 2,-0.2 -2,-0.0 -0.900 33.9-127.1-115.0 144.3 10.7 24.4 -8.5 78 78 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.205 92.2 32.6 -74.5 19.7 10.7 27.2 -11.0 79 79 A Y S S- 0 0 90 11,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.979 85.4 -98.9-163.1 169.1 11.5 29.7 -8.2 80 80 A T - 0 0 109 -2,-0.3 2,-0.3 -10,-0.0 -12,-0.1 -0.706 36.4-134.4 -95.8 149.5 13.3 30.1 -4.8 81 81 A I + 0 0 50 -14,-0.3 2,-0.3 -2,-0.3 -4,-0.0 -0.786 31.9 152.2-107.8 151.5 11.3 29.9 -1.6 82 82 A S > - 0 0 31 -2,-0.3 3,-1.4 -16,-0.1 -18,-0.0 -0.944 59.0 -88.3-159.8 175.1 11.5 32.2 1.4 83 83 A L T 3 S+ 0 0 30 -2,-0.3 -27,-0.1 1,-0.3 -28,-0.0 0.733 125.2 49.6 -66.3 -21.4 9.3 33.5 4.3 84 84 A N T 3 S+ 0 0 131 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.155 76.9 142.7-105.7 20.4 8.1 36.3 2.1 85 85 A I < - 0 0 31 -3,-1.4 2,-0.8 1,-0.1 -4,-0.1 -0.300 56.4-118.9 -58.9 140.2 7.1 34.2 -1.0 86 86 A D > - 0 0 85 1,-0.1 3,-1.4 3,-0.1 4,-0.1 -0.766 22.1-162.4 -87.5 111.5 4.0 35.6 -2.7 87 87 A d G > S+ 0 0 5 -2,-0.8 3,-0.5 1,-0.3 -39,-0.2 0.599 80.9 70.6 -69.8 -13.2 1.4 32.7 -2.5 88 88 A S G 3 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.1 -43,-0.1 0.468 104.0 41.5 -83.6 -0.5 -0.8 34.2 -5.2 89 89 A R G < 0 0 202 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.260 360.0 360.0-127.2 9.0 1.8 33.3 -7.9 90 90 A V < 0 0 22 -3,-0.5 -2,-0.1 -4,-0.1 -3,-0.1 0.681 360.0 360.0 -79.4 360.0 3.0 29.9 -6.9 91 !* 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 92 1 B I 0 0 51 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 165.4 10.3 62.4 62.9 93 2 B D > - 0 0 113 1,-0.1 4,-2.3 2,-0.1 5,-0.1 -0.510 360.0-145.0 -72.4 132.3 11.3 61.4 66.4 94 3 B e H > S+ 0 0 53 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.850 100.8 53.6 -64.4 -38.4 13.4 58.3 66.6 95 4 B G H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 110.0 50.7 -66.3 -29.7 11.8 57.1 69.9 96 5 B H H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.924 109.0 48.7 -71.9 -45.0 8.5 57.5 68.1 97 6 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.927 110.3 53.6 -58.3 -44.5 9.7 55.4 65.1 98 7 B D H X S+ 0 0 39 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.881 106.7 51.6 -57.1 -41.8 11.0 52.8 67.6 99 8 B S H < S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.1 50.8 -62.7 -43.3 7.5 52.6 69.3 100 9 B L H < S+ 0 0 26 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 118.9 34.2 -62.4 -46.0 5.8 52.0 65.9 101 10 B V H >< S+ 0 0 23 -4,-2.1 3,-2.7 1,-0.2 -1,-0.2 0.514 87.7 102.2 -90.8 -5.7 8.1 49.2 64.8 102 11 B R G >< S+ 0 0 144 -4,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.864 73.8 61.5 -45.7 -46.6 8.7 47.7 68.2 103 12 B P G 3 S+ 0 0 55 0, 0.0 15,-0.3 0, 0.0 12,-0.3 0.546 91.6 68.9 -63.3 -1.5 6.2 44.8 67.6 104 13 B f G <> S+ 0 0 8 -3,-2.7 4,-2.0 14,-0.2 5,-0.2 0.404 72.9 97.8 -93.7 2.5 8.4 43.6 64.7 105 14 B L H <> S+ 0 0 76 -3,-2.1 4,-0.7 1,-0.2 6,-0.2 0.925 78.4 47.9 -57.5 -53.3 11.1 42.5 67.1 106 15 B S H 4>S+ 0 0 77 1,-0.2 5,-2.3 -3,-0.2 3,-0.4 0.850 112.4 51.8 -60.2 -34.1 10.3 38.8 67.4 107 16 B Y H >45S+ 0 0 11 -4,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.919 108.5 48.3 -68.0 -45.6 10.1 38.5 63.6 108 17 B V H 3<5S+ 0 0 11 -4,-2.0 45,-4.4 1,-0.3 -1,-0.2 0.547 104.6 63.0 -74.1 -4.8 13.4 40.1 62.9 109 18 B Q T 3<5S- 0 0 86 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.118 133.1 -84.3-103.6 19.8 15.0 37.9 65.4 110 19 B G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.331 91.1 127.2 98.4 -8.1 14.2 34.7 63.5 111 20 B G < - 0 0 21 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.163 66.9 -83.6 -76.3 174.6 10.6 34.3 64.8 112 21 B P S S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.468 74.2 8.7 -78.9 153.0 7.5 33.8 62.7 113 22 B G - 0 0 41 1,-0.2 2,-0.1 -2,-0.1 -9,-0.1 -0.990 54.6-112.6 160.1-161.0 5.6 36.8 61.2 114 23 B P - 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.509 53.6-150.2 -78.9 149.3 5.1 39.6 60.6 115 24 B S > - 0 0 58 -12,-0.3 4,-2.0 -3,-0.2 5,-0.2 -0.249 27.1-106.4 -75.8 170.0 2.2 40.0 62.9 116 25 B G H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 120.7 56.7 -65.5 -36.8 -0.7 42.4 62.3 117 26 B Q H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 106.8 49.4 -60.3 -43.6 0.6 44.7 65.0 118 27 B f H > S+ 0 0 1 -15,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.954 113.2 45.3 -61.0 -51.0 4.0 44.9 63.2 119 28 B g H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.847 109.4 56.3 -62.6 -34.7 2.4 45.7 59.8 120 29 B D H X S+ 0 0 76 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 110.5 45.0 -63.5 -41.4 0.1 48.2 61.4 121 30 B G H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.869 112.4 50.2 -69.3 -38.1 3.1 50.1 62.7 122 31 B V H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.846 111.7 49.2 -68.8 -34.7 5.0 49.9 59.5 123 32 B K H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.936 110.1 50.5 -69.6 -46.7 2.0 51.2 57.6 124 33 B N H X S+ 0 0 84 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.892 111.5 49.2 -57.7 -42.5 1.5 54.1 60.0 125 34 B L H >X S+ 0 0 14 -4,-2.0 4,-2.9 2,-0.2 3,-0.5 0.977 109.9 49.0 -60.8 -57.2 5.2 55.1 59.7 126 35 B H H 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 112.9 51.4 -52.0 -32.2 5.1 55.0 55.9 127 36 B N H 3< S+ 0 0 100 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.844 114.2 40.5 -75.6 -36.7 2.0 57.2 56.2 128 37 B Q H << S+ 0 0 74 -4,-1.9 2,-2.1 -3,-0.5 3,-0.4 0.897 97.8 76.1 -79.7 -44.7 3.5 59.8 58.5 129 38 B A < + 0 0 14 -4,-2.9 -1,-0.2 1,-0.2 -4,-0.0 -0.477 57.6 133.4 -72.7 80.7 7.0 60.1 57.0 130 39 B R + 0 0 186 -2,-2.1 -1,-0.2 -3,-0.1 -2,-0.1 0.896 43.8 74.0 -96.2 -55.4 6.0 62.2 54.0 131 40 B S S > S- 0 0 51 -3,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.183 88.0-114.3 -59.4 156.4 8.4 65.1 53.7 132 41 B Q H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 116.3 53.5 -59.5 -44.0 11.9 64.3 52.4 133 42 B S H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 108.5 50.4 -63.1 -29.6 13.5 65.2 55.7 134 43 B D H > S+ 0 0 44 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.896 110.1 48.4 -75.4 -40.8 11.2 62.8 57.5 135 44 B R H X S+ 0 0 83 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 113.3 48.8 -63.4 -44.4 11.9 59.9 55.2 136 45 B Q H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.883 115.3 42.3 -63.5 -42.5 15.6 60.5 55.6 137 46 B S H X S+ 0 0 38 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.796 112.5 53.6 -77.1 -27.9 15.6 60.7 59.4 138 47 B A H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.920 109.9 49.9 -69.4 -40.2 13.2 57.8 59.7 139 48 B h H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 111.1 47.2 -61.5 -48.5 15.7 55.8 57.5 140 49 B N H X S+ 0 0 88 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.822 113.4 50.9 -63.4 -33.0 18.7 56.9 59.7 141 50 B e H X S+ 0 0 13 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.973 111.8 44.5 -67.5 -56.5 16.6 56.0 62.8 142 51 B L H X S+ 0 0 67 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.887 111.9 53.2 -55.9 -44.5 15.6 52.5 61.5 143 52 B K H X S+ 0 0 58 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.923 110.9 47.8 -59.0 -44.2 19.2 51.8 60.4 144 53 B G H < S+ 0 0 50 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.913 113.1 47.2 -63.1 -44.5 20.5 52.7 63.9 145 54 B I H >< S+ 0 0 48 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.877 111.8 49.9 -65.7 -40.5 17.9 50.5 65.6 146 55 B A H >< S+ 0 0 22 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.897 104.3 58.2 -65.6 -41.8 18.4 47.5 63.4 147 56 B R T 3< S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.586 106.4 51.3 -65.9 -9.0 22.2 47.6 63.9 148 57 B G T < S+ 0 0 66 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.3 0.511 84.6 106.8-104.1 -8.4 21.6 47.3 67.6 149 58 B I S X S- 0 0 39 -3,-1.5 3,-1.0 -4,-0.4 2,-0.3 -0.569 70.2-127.9 -75.8 127.5 19.3 44.2 67.4 150 59 B H T 3 S+ 0 0 139 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.582 88.4 2.3 -78.2 133.9 20.9 41.0 68.6 151 60 B N T 3 S- 0 0 117 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.863 86.9-169.4 60.6 38.4 20.7 38.1 66.1 152 61 B L < - 0 0 39 -3,-1.0 2,-0.8 -6,-0.2 -43,-0.2 -0.402 15.2-143.5 -62.1 130.0 18.9 40.3 63.6 153 62 B N > - 0 0 52 -45,-4.4 4,-2.1 1,-0.2 -43,-0.2 -0.876 13.2-168.5 -98.2 107.5 17.5 38.2 60.7 154 63 B E H > S+ 0 0 87 -2,-0.8 4,-3.0 2,-0.2 5,-0.2 0.846 81.4 56.9 -65.1 -40.1 18.0 40.3 57.6 155 64 B D H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.948 110.9 44.9 -58.5 -48.5 15.9 38.3 55.2 156 65 B N H >> S+ 0 0 30 2,-0.2 4,-1.1 1,-0.2 3,-0.7 0.939 112.7 51.4 -60.3 -47.9 12.9 38.7 57.6 157 66 B A H >< S+ 0 0 19 -4,-2.1 3,-1.0 1,-0.3 -2,-0.2 0.931 109.8 48.7 -55.2 -48.7 13.6 42.4 58.0 158 67 B R H 3< S+ 0 0 100 -4,-3.0 14,-0.3 1,-0.2 -1,-0.3 0.735 107.9 59.5 -64.0 -20.6 13.8 42.9 54.3 159 68 B S H 4>S+ 0 0 13 0, 0.0 5,-2.7 0, 0.0 3,-1.0 0.951 115.6 37.0 -50.3 -64.0 7.4 46.0 53.7 162 71 B P H >45S+ 0 0 87 0, 0.0 3,-1.4 0, 0.0 -2,-0.2 0.893 117.7 50.6 -57.8 -41.6 6.0 43.8 50.9 163 72 B K H 3<5S+ 0 0 120 -4,-2.1 -3,-0.2 1,-0.3 -44,-0.1 0.731 111.7 50.6 -68.8 -18.4 4.4 41.2 53.3 164 73 B g T <<5S- 0 0 9 -4,-1.6 -1,-0.3 -3,-1.0 3,-0.1 0.355 121.6-106.9 -98.5 3.7 2.8 44.2 55.1 165 74 B G T < 5S+ 0 0 49 -3,-1.4 2,-0.8 -4,-0.3 -2,-0.1 0.711 75.8 135.2 80.5 19.5 1.4 45.7 51.9 166 75 B V < - 0 0 10 -5,-2.7 2,-1.2 -6,-0.3 -1,-0.2 -0.896 42.2-156.0-103.7 107.5 3.9 48.6 51.8 167 76 B N + 0 0 146 -2,-0.8 -1,-0.0 -3,-0.1 0, 0.0 -0.670 17.0 176.7 -90.1 91.0 5.1 48.8 48.2 168 77 B L - 0 0 45 -2,-1.2 4,-0.0 2,-0.2 -2,-0.0 -0.610 36.8-127.6 -89.7 150.3 8.4 50.6 48.1 169 78 B P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.344 92.1 42.2 -79.3 11.6 10.3 50.9 44.7 170 79 B Y S S- 0 0 86 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 -0.954 86.9-107.7-149.2 163.5 13.4 49.4 46.3 171 80 B T - 0 0 97 -2,-0.3 -12,-0.1 -10,-0.0 -13,-0.1 -0.858 40.8-125.0 -97.0 125.1 14.3 46.5 48.7 172 81 B I + 0 0 50 -2,-0.5 2,-0.3 -14,-0.3 -14,-0.0 -0.214 38.0 165.0 -65.6 161.0 15.4 47.8 52.1 173 82 B S > - 0 0 38 -16,-0.1 3,-1.5 1,-0.0 -30,-0.0 -0.977 51.6 -96.5-168.0 166.5 18.8 46.8 53.5 174 83 B L T 3 S+ 0 0 24 -2,-0.3 -27,-0.1 1,-0.3 -2,-0.0 0.695 123.9 43.0 -65.9 -20.1 21.3 47.6 56.2 175 84 B N T 3 S+ 0 0 129 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.088 80.0 147.0-112.6 20.2 23.3 49.7 53.8 176 85 B I < - 0 0 31 -3,-1.5 2,-1.2 1,-0.1 3,-0.1 -0.295 57.3-115.4 -56.8 139.2 20.4 51.5 52.1 177 86 B D > - 0 0 80 1,-0.2 3,-2.7 2,-0.1 4,-0.3 -0.672 26.4-164.1 -82.1 97.3 21.3 55.0 51.1 178 87 B h G > S+ 0 0 7 -2,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.713 85.2 64.4 -55.0 -23.9 19.1 57.1 53.3 179 88 B S G 3 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 -43,-0.1 0.681 102.0 50.3 -75.1 -15.7 19.7 60.2 51.1 180 89 B R G < 0 0 198 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.404 360.0 360.0-100.5 1.0 17.9 58.4 48.2 181 90 B V < 0 0 33 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.724 360.0 360.0 -76.5 360.0 14.8 57.4 50.2