==== 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 LIPID BINDING PROTEIN 27-MAR-09 3GSH . COMPND 2 MOLECULE: NON-SPECIFIC LIPID-TRANSFER PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.B.LASCOMBE,T.PRANGE,B.BAKAN,D.MARION . 182 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 67.0 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 . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 44.5 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 0 0 0 2 0 0 2 0 2 0 0 1 1 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 L 0 0 137 0, 0.0 2,-0.3 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 24.2 2.7 15.4 27.0 2 2 A N > - 0 0 83 1,-0.0 4,-1.9 45,-0.0 3,-0.2 -0.871 360.0-106.0-129.5 167.5 5.9 13.7 28.1 3 3 A a H > S+ 0 0 64 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.759 118.0 61.6 -70.1 -22.5 8.0 10.9 26.6 4 4 A G H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.963 107.6 44.3 -58.8 -53.2 6.8 8.5 29.4 5 5 A Q H > S+ 0 0 92 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.863 114.9 49.3 -59.0 -40.0 3.2 9.0 28.1 6 6 A V H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.962 111.1 46.0 -66.3 -52.5 4.4 8.6 24.5 7 7 A D H X S+ 0 0 63 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.935 114.7 53.4 -60.0 -37.6 6.5 5.3 25.1 8 8 A S H >< S+ 0 0 72 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.954 109.4 44.9 -59.9 -48.8 3.2 4.0 27.1 9 9 A K H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 118.0 45.6 -63.3 -34.6 0.7 4.7 24.3 10 10 A M H >< S+ 0 0 23 -4,-1.9 3,-2.6 -5,-0.2 4,-0.3 0.531 81.5 98.7 -89.6 -7.9 3.2 3.1 21.8 11 11 A K G X< S+ 0 0 130 -4,-1.1 3,-2.0 -3,-0.7 4,-0.4 0.854 74.7 63.5 -50.0 -39.6 4.1 -0.0 23.8 12 12 A P G 3 S+ 0 0 56 0, 0.0 15,-0.4 0, 0.0 12,-0.3 0.710 99.3 57.4 -59.5 -15.0 1.6 -2.2 21.9 13 13 A b G <> S+ 0 0 2 -3,-2.6 4,-2.5 14,-0.2 5,-0.2 0.494 78.6 96.7 -89.7 -4.3 3.7 -1.4 18.7 14 14 A L H <> S+ 0 0 72 -3,-2.0 4,-0.7 -4,-0.3 6,-0.2 0.905 81.9 46.8 -57.0 -49.5 6.9 -2.8 20.2 15 15 A T H >4>S+ 0 0 95 -4,-0.4 5,-2.6 1,-0.2 3,-0.6 0.900 113.4 50.2 -64.2 -38.1 6.8 -6.3 18.7 16 16 A Y H >45S+ 0 0 18 -4,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.911 109.7 49.6 -61.8 -48.0 6.0 -4.9 15.2 17 17 A V H 3<5S+ 0 0 11 -4,-2.5 45,-3.4 1,-0.3 -1,-0.2 0.542 104.6 59.6 -72.6 -5.6 8.9 -2.4 15.3 18 18 A Q T <<5S- 0 0 82 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.174 133.6 -89.1-103.5 14.3 11.3 -5.1 16.3 19 19 A G T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.417 88.3 126.3 100.2 -1.7 10.3 -6.9 13.1 20 20 A G < - 0 0 24 -5,-2.6 -1,-0.3 -6,-0.2 42,-0.0 -0.179 69.2 -68.1 -75.7 178.6 7.4 -9.0 14.2 21 21 A P S S- 0 0 125 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 -0.285 78.8 -0.8 -67.0 152.9 3.9 -9.1 12.6 22 22 A G - 0 0 42 1,-0.3 2,-0.1 -6,-0.1 -9,-0.1 -0.976 50.8-111.5 160.9-159.6 1.6 -6.0 12.7 23 23 A P - 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -10,-0.1 0.455 57.3-152.7 -78.1 143.1 0.7 -3.4 13.3 24 24 A S > - 0 0 43 -12,-0.3 4,-2.5 -3,-0.3 5,-0.2 -0.180 29.2-105.6 -67.5 163.4 -2.0 -4.7 15.7 25 25 A G H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.879 124.2 53.3 -48.4 -42.3 -5.3 -3.0 16.4 26 26 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 107.2 50.7 -69.6 -35.8 -3.9 -2.1 19.8 27 27 A b H > S+ 0 0 0 -15,-0.4 4,-2.3 2,-0.2 5,-0.2 0.953 111.0 47.6 -63.0 -50.3 -0.8 -0.5 18.1 28 28 A c H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.902 110.2 53.7 -60.3 -39.4 -2.9 1.6 15.8 29 29 A N H X S+ 0 0 94 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.908 106.9 52.3 -59.0 -43.6 -5.0 2.6 18.7 30 30 A G H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.944 113.1 42.5 -59.6 -51.8 -1.9 3.8 20.6 31 31 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.890 113.8 50.8 -61.2 -44.4 -0.7 6.0 17.7 32 32 A R H X S+ 0 0 112 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.888 108.3 54.5 -58.8 -43.7 -4.2 7.4 16.9 33 33 A D H X S+ 0 0 42 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.919 109.4 47.1 -51.8 -49.8 -4.5 8.2 20.6 34 34 A L H X S+ 0 0 14 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.898 109.9 53.0 -60.5 -44.1 -1.2 10.2 20.4 35 35 A H H < S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 110.3 46.8 -57.7 -43.7 -2.3 12.0 17.3 36 36 A N H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.3 48.1 -69.9 -33.8 -5.6 13.1 18.9 37 37 A Q H < S+ 0 0 107 -4,-1.8 2,-1.0 1,-0.2 -1,-0.2 0.708 98.7 70.9 -81.8 -20.8 -3.7 14.3 22.0 38 38 A A < + 0 0 14 -4,-1.8 -1,-0.2 1,-0.2 6,-0.1 -0.504 57.6 145.2 -93.3 65.1 -1.1 16.2 20.0 39 39 A Q + 0 0 171 -2,-1.0 2,-0.2 -3,-0.2 -1,-0.2 0.654 52.4 59.8 -81.6 -18.9 -3.3 19.1 18.8 40 40 A S S > S- 0 0 51 -3,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.650 85.7-113.7-107.2 168.2 -0.8 21.9 18.9 41 41 A S H > S+ 0 0 78 -2,-0.2 4,-2.5 2,-0.2 5,-0.1 0.893 119.2 50.9 -62.5 -43.4 2.6 22.6 17.1 42 42 A G H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.8 48.0 -59.1 -45.6 4.4 22.4 20.5 43 43 A D H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 110.7 51.9 -61.1 -43.1 2.7 19.1 21.3 44 44 A R H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 110.6 48.5 -62.8 -42.0 3.6 17.8 17.8 45 45 A Q H X S+ 0 0 96 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.908 111.9 48.0 -63.8 -42.5 7.3 18.8 18.4 46 46 A T H X S+ 0 0 64 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.942 113.0 47.1 -64.3 -45.5 7.5 17.1 21.8 47 47 A V H X S+ 0 0 19 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.896 111.1 53.8 -63.2 -44.5 5.9 13.9 20.5 48 48 A d H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.938 110.7 44.6 -49.4 -54.0 8.3 13.9 17.5 49 49 A N H X S+ 0 0 76 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.898 112.2 53.1 -66.5 -39.7 11.4 14.2 19.6 50 50 A a H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.931 110.7 46.9 -55.7 -44.9 10.1 11.6 22.0 51 51 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.836 109.9 53.4 -68.6 -32.1 9.5 9.1 19.2 52 52 A K H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.941 112.8 43.4 -67.3 -46.4 13.0 9.8 17.7 53 53 A G H X S+ 0 0 32 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.891 114.6 49.7 -67.0 -38.8 14.7 9.1 21.0 54 54 A I H X S+ 0 0 34 -4,-2.4 4,-0.6 -5,-0.2 3,-0.4 0.926 108.4 52.6 -65.0 -43.1 12.5 6.0 21.6 55 55 A A H >< S+ 0 0 8 -4,-2.5 3,-0.8 1,-0.3 -2,-0.2 0.905 109.9 51.1 -56.5 -43.2 13.3 4.7 18.1 56 56 A R H 3< S+ 0 0 183 -4,-2.0 -1,-0.3 26,-0.2 -2,-0.2 0.815 109.1 50.2 -60.0 -35.2 16.9 5.2 19.0 57 57 A G H 3< S+ 0 0 69 -4,-1.4 2,-0.6 -3,-0.4 -1,-0.2 0.375 85.1 103.0 -91.0 1.6 16.5 3.2 22.3 58 58 A I S X< S- 0 0 38 -3,-0.8 3,-0.9 -4,-0.6 2,-0.3 -0.786 72.6-128.9 -92.8 122.0 14.8 0.2 20.8 59 59 A H T 3 S+ 0 0 134 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.528 87.9 3.6 -68.1 125.3 17.1 -2.9 20.3 60 60 A N T 3 S- 0 0 113 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.899 85.9-163.7 67.2 45.2 17.0 -4.3 16.8 61 61 A L < - 0 0 38 -3,-0.9 2,-0.9 -6,-0.2 -43,-0.2 -0.383 14.9-139.9 -62.0 129.5 14.6 -1.7 15.4 62 62 A N > - 0 0 56 -45,-3.4 4,-2.4 1,-0.2 5,-0.2 -0.868 14.2-163.4 -91.5 106.2 13.0 -2.7 12.1 63 63 A L H > S+ 0 0 99 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.886 84.4 52.0 -61.7 -44.2 13.2 0.6 10.2 64 64 A N H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.949 112.9 44.8 -56.8 -47.9 10.6 -0.4 7.5 65 65 A N H > S+ 0 0 33 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.947 113.5 49.6 -64.8 -49.3 8.0 -1.5 10.2 66 66 A A H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.2 15,-0.3 0.909 112.7 47.6 -52.8 -48.9 8.6 1.6 12.3 67 67 A A H 3< S+ 0 0 39 -4,-2.5 4,-0.4 1,-0.2 14,-0.3 0.781 107.6 58.7 -64.9 -27.3 8.2 3.9 9.3 68 68 A S H 3X S+ 0 0 19 -4,-1.5 4,-2.8 -3,-0.4 5,-0.3 0.641 78.2 92.2 -79.4 -16.6 5.0 2.1 8.2 69 69 A I H >S+ 0 0 13 0, 0.0 5,-2.6 0, 0.0 4,-0.7 0.947 118.5 41.1 -57.1 -47.7 1.1 6.0 10.4 71 71 A S H 45S+ 0 0 35 -4,-0.4 3,-0.5 1,-0.2 -2,-0.2 0.884 116.2 48.8 -68.0 -41.3 0.1 4.7 6.9 72 72 A K H <5S+ 0 0 135 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.845 118.7 39.8 -65.0 -30.9 -0.8 1.2 8.0 73 73 A c H <5S- 0 0 7 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.386 109.0-122.0 -95.3 -1.7 -2.9 2.6 10.9 74 74 A N T <5 + 0 0 67 -4,-0.7 2,-0.5 -3,-0.5 -3,-0.2 0.917 63.2 143.3 57.4 45.3 -4.4 5.5 8.8 75 75 A V < - 0 0 6 -5,-2.6 2,-2.0 -6,-0.2 -1,-0.2 -0.972 54.9-128.5-119.3 133.7 -3.1 8.1 11.2 76 76 A N + 0 0 23 -2,-0.5 18,-0.1 65,-0.1 -5,-0.0 -0.377 35.9 170.8 -84.0 59.1 -1.7 11.5 9.8 77 77 A V - 0 0 11 -2,-2.0 18,-1.3 1,-0.1 2,-0.5 -0.572 31.7-138.5 -67.2 126.3 1.7 11.6 11.5 78 78 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 13,-0.3 0.029 77.0 29.1 -85.0 32.6 3.5 14.6 9.9 79 79 A Y S S- 0 0 19 -2,-0.5 2,-0.5 17,-0.1 16,-0.2 -0.940 91.3 -87.8-172.5 170.2 6.9 12.9 9.6 80 80 A T - 0 0 60 -2,-0.3 2,-0.4 14,-0.1 -13,-0.1 -0.839 40.1-121.8 -98.1 125.3 8.4 9.5 9.2 81 81 A I + 0 0 11 -2,-0.5 -12,-0.1 -14,-0.3 -29,-0.1 -0.559 59.5 121.3 -68.2 119.3 9.1 7.5 12.3 82 82 A S S > S- 0 0 32 -2,-0.4 3,-0.8 -16,-0.1 -27,-0.2 -0.947 77.7 -92.3-161.8 171.2 12.9 6.6 12.5 83 83 A P T 3 S+ 0 0 41 0, 0.0 -27,-0.1 0, 0.0 -31,-0.1 0.520 122.2 49.3 -70.8 -1.7 15.9 7.2 14.8 84 84 A D T 3 S+ 0 0 124 -4,-0.1 2,-0.1 2,-0.0 -4,-0.1 -0.070 71.3 155.2-134.3 47.2 16.6 10.2 12.7 85 85 A I < - 0 0 8 -3,-0.8 2,-1.0 -37,-0.2 -4,-0.1 -0.396 44.6-129.0 -72.6 142.8 13.5 12.4 12.3 86 86 A D > + 0 0 89 1,-0.1 3,-0.8 -6,-0.1 -1,-0.1 -0.834 30.5 178.6 -86.9 99.2 13.9 16.1 11.6 87 87 A d T 3 + 0 0 6 -2,-1.0 3,-0.4 1,-0.2 -38,-0.1 0.434 64.1 76.4 -86.2 3.2 11.6 17.4 14.3 88 88 A S T 3 S+ 0 0 81 1,-0.2 -1,-0.2 -3,-0.0 -43,-0.1 0.623 90.1 50.3 -87.7 -16.6 12.2 21.0 13.4 89 89 A R < + 0 0 203 -3,-0.8 2,-0.6 -44,-0.0 -1,-0.2 0.024 63.5 146.4-120.4 31.9 10.1 21.3 10.3 90 90 A I 0 0 26 -3,-0.4 -11,-0.1 -49,-0.1 -45,-0.1 -0.570 360.0 360.0 -74.7 112.3 6.6 20.0 11.1 91 91 A Y 0 0 90 -2,-0.6 12,-0.0 -13,-0.3 5,-0.0 -0.347 360.0 360.0 63.7 360.0 4.0 21.9 9.1 92 !* 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 93 1 B L 0 0 87 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 24.2 5.1 9.8 2.0 94 2 B N > - 0 0 19 -16,-0.1 4,-2.0 -14,-0.1 3,-0.4 -0.875 360.0-103.7-130.4 169.6 4.0 11.5 5.2 95 3 B e H > S+ 0 0 3 -18,-1.3 4,-2.8 -2,-0.3 5,-0.1 0.731 115.9 60.3 -69.9 -21.0 1.8 14.4 6.0 96 4 B G H > S+ 0 0 13 -19,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.909 108.3 45.3 -67.0 -42.2 4.6 16.9 6.5 97 5 B Q H > S+ 0 0 74 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.876 113.3 50.3 -67.6 -40.9 5.7 16.3 3.0 98 6 B V H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.949 112.8 45.6 -61.8 -52.1 2.1 16.6 1.7 99 7 B D H X S+ 0 0 27 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.912 112.5 53.4 -56.5 -43.8 1.6 19.9 3.6 100 8 B S H >< S+ 0 0 71 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.933 109.0 45.9 -60.3 -49.5 5.0 21.2 2.4 101 9 B K H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.9 46.6 -61.9 -30.5 4.3 20.6 -1.3 102 10 B M H >< S+ 0 0 21 -4,-1.6 3,-2.7 -5,-0.2 4,-0.3 0.563 81.2 99.3 -91.0 -10.5 0.8 22.2 -0.9 103 11 B K G X< S+ 0 0 94 -4,-1.1 3,-2.0 -3,-0.8 4,-0.3 0.829 74.6 62.4 -49.4 -41.7 2.0 25.3 1.1 104 12 B P G 3 S+ 0 0 56 0, 0.0 15,-0.4 0, 0.0 12,-0.3 0.689 98.6 59.6 -54.6 -17.5 1.9 27.5 -2.1 105 13 B f G <> S+ 0 0 3 -3,-2.7 4,-2.4 14,-0.2 5,-0.2 0.499 78.3 95.6 -88.1 -7.9 -1.9 26.8 -2.2 106 14 B L H <> S+ 0 0 75 -3,-2.0 4,-1.3 -4,-0.3 6,-0.2 0.905 81.2 47.3 -54.8 -53.2 -2.6 28.3 1.2 107 15 B T H 4>S+ 0 0 98 -4,-0.3 5,-2.8 1,-0.2 -1,-0.2 0.881 114.8 49.4 -60.2 -38.8 -3.7 31.8 0.2 108 16 B Y H >45S+ 0 0 13 -4,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.925 109.6 48.1 -66.2 -45.7 -6.0 30.4 -2.5 109 17 B V H 3<5S+ 0 0 9 -4,-2.4 45,-4.1 1,-0.3 49,-0.3 0.683 105.5 60.8 -75.5 -10.7 -7.7 27.8 -0.3 110 18 B Q T 3<5S- 0 0 87 -4,-1.3 -1,-0.3 43,-0.2 -2,-0.2 0.209 133.3 -91.4 -91.7 9.2 -8.2 30.6 2.3 111 19 B G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.355 87.3 127.2 103.6 -2.3 -10.3 32.4 -0.3 112 20 B G < - 0 0 23 -5,-2.8 -1,-0.3 -6,-0.2 42,-0.0 -0.080 69.7 -70.6 -72.7 179.7 -7.6 34.5 -2.0 113 21 B P S S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.314 80.3 15.8 -70.4 161.6 -6.9 34.5 -5.8 114 22 B G - 0 0 44 1,-0.3 2,-0.1 -6,-0.1 -9,-0.1 -0.949 51.2-122.6 145.9-168.2 -5.3 31.5 -7.5 115 23 B P - 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -10,-0.1 0.498 56.1-147.4 -74.1 145.9 -4.4 28.8 -7.9 116 24 B S > - 0 0 42 -12,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.317 24.7-112.9 -69.1 161.5 -0.8 30.0 -8.5 117 25 B G H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 121.9 55.8 -58.5 -37.4 1.6 28.2 -10.8 118 26 B E H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 106.1 49.8 -63.2 -41.4 3.5 27.3 -7.7 119 27 B f H > S+ 0 0 0 -15,-0.4 4,-2.3 2,-0.2 5,-0.2 0.956 110.4 48.3 -62.9 -51.7 0.5 25.7 -6.2 120 28 B g H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.906 109.9 53.5 -57.1 -38.9 -0.3 23.7 -9.3 121 29 B N H X S+ 0 0 87 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 107.1 51.9 -59.9 -41.6 3.4 22.5 -9.3 122 30 B G H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.952 112.2 45.2 -61.0 -47.1 3.1 21.4 -5.7 123 31 B V H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.883 111.6 52.3 -64.7 -41.1 -0.0 19.3 -6.5 124 32 B R H X S+ 0 0 95 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.929 109.4 50.6 -57.9 -47.7 1.5 17.8 -9.6 125 33 B D H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 110.7 48.1 -55.2 -47.2 4.6 16.8 -7.6 126 34 B L H X S+ 0 0 13 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.919 111.3 49.8 -64.1 -42.1 2.4 15.1 -5.0 127 35 B H H < S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.4 50.3 -64.4 -33.9 0.4 13.3 -7.7 128 36 B N H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 109.7 49.8 -70.7 -41.9 3.7 12.2 -9.3 129 37 B Q H < S+ 0 0 124 -4,-2.5 2,-1.7 1,-0.2 3,-0.2 0.770 94.4 79.5 -63.4 -31.6 5.0 10.9 -5.9 130 38 B A < + 0 0 10 -4,-1.6 -1,-0.2 1,-0.2 6,-0.1 -0.433 51.8 145.0 -85.4 69.3 1.8 8.9 -5.2 131 39 B Q + 0 0 137 -2,-1.7 2,-0.2 4,-0.1 -1,-0.2 0.767 51.7 55.5 -79.8 -30.9 2.4 5.8 -7.4 132 40 B S S > S- 0 0 55 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.615 86.4-108.6-104.8 162.7 0.8 3.0 -5.4 133 41 B S H > S+ 0 0 89 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.922 122.9 49.7 -44.2 -53.5 -2.6 2.2 -3.8 134 42 B G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 109.2 49.8 -54.0 -49.7 -0.9 2.8 -0.4 135 43 B D H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 110.8 50.2 -58.9 -47.9 0.6 6.2 -1.5 136 44 B R H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.931 111.8 47.6 -58.4 -45.4 -2.7 7.4 -2.8 137 45 B Q H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 112.9 48.9 -61.2 -44.5 -4.5 6.5 0.4 138 46 B T H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 113.2 45.6 -62.0 -51.0 -1.8 8.1 2.6 139 47 B V H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.923 111.7 53.6 -59.0 -45.4 -1.9 11.3 0.6 140 48 B h H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 110.9 44.6 -54.5 -54.5 -5.7 11.4 0.6 141 49 B N H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.881 113.0 52.5 -58.8 -39.1 -6.0 11.1 4.4 142 50 B e H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.894 110.5 47.8 -61.2 -43.5 -3.2 13.7 4.8 143 51 B L H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.886 110.9 50.2 -67.3 -36.6 -5.1 16.2 2.6 144 52 B K H X S+ 0 0 45 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.948 113.9 46.1 -67.6 -47.7 -8.3 15.6 4.5 145 53 B G H X S+ 0 0 24 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.908 112.7 50.0 -55.0 -48.8 -6.5 16.2 7.8 146 54 B I H >< S+ 0 0 22 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.921 106.1 55.3 -62.3 -43.9 -4.8 19.3 6.4 147 55 B A H >< S+ 0 0 6 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.923 106.1 52.6 -53.4 -45.9 -8.0 20.8 5.1 148 56 B R H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.773 107.3 53.6 -57.3 -29.3 -9.5 20.5 8.7 149 57 B G T << S+ 0 0 70 -4,-1.1 2,-0.6 -3,-0.8 -1,-0.2 0.360 85.9 98.5 -90.6 -0.0 -6.5 22.4 10.1 150 58 B I S X S- 0 0 36 -3,-1.5 3,-0.8 -4,-0.4 2,-0.2 -0.796 70.1-135.4 -93.1 120.2 -6.8 25.4 7.8 151 59 B H T 3 S+ 0 0 152 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.508 86.0 11.2 -77.2 148.0 -8.6 28.4 9.2 152 60 B N T 3 S- 0 0 132 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.893 88.0-167.5 49.7 48.5 -11.1 30.2 7.0 153 61 B L < - 0 0 35 -3,-0.8 2,-1.0 -6,-0.1 -43,-0.2 -0.475 17.2-143.9 -66.1 123.5 -11.1 27.3 4.5 154 62 B N > - 0 0 57 -45,-4.1 4,-2.5 -2,-0.3 -43,-0.2 -0.829 11.2-163.4 -87.7 105.7 -12.7 28.1 1.3 155 63 B L H > S+ 0 0 105 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.890 86.3 51.2 -58.2 -47.4 -14.4 24.8 0.4 156 64 B N H > S+ 0 0 132 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.924 111.1 46.7 -52.9 -52.9 -14.9 25.7 -3.3 157 65 B N H >> S+ 0 0 31 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.921 113.5 49.5 -59.2 -48.2 -11.3 26.9 -3.9 158 66 B A H >< S+ 0 0 3 -4,-2.5 3,-1.0 -49,-0.3 15,-0.3 0.933 112.3 47.5 -53.5 -49.0 -9.9 23.7 -2.2 159 67 B A H 3< S+ 0 0 39 -4,-2.5 4,-0.4 1,-0.2 14,-0.2 0.673 108.2 56.5 -67.7 -21.8 -12.1 21.4 -4.3 160 68 B S H >S+ 0 0 14 0, 0.0 5,-2.5 0, 0.0 4,-0.7 0.953 116.9 42.5 -60.5 -46.0 -7.2 19.4 -9.3 163 71 B S H >45S+ 0 0 91 -4,-0.4 3,-0.8 3,-0.2 -2,-0.2 0.928 116.9 47.2 -63.0 -45.6 -9.4 20.6 -12.2 164 72 B K H 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.912 118.8 41.0 -61.2 -40.9 -7.8 24.1 -12.3 165 73 B g H 3<5S- 0 0 3 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.449 108.4-124.0 -85.8 -2.6 -4.3 22.6 -12.2 166 74 B N T <<5 + 0 0 129 -3,-0.8 2,-0.5 -4,-0.7 -3,-0.2 0.956 60.4 145.8 51.9 54.7 -5.1 19.7 -14.6 167 75 B V < - 0 0 10 -5,-2.5 2,-1.7 -6,-0.2 -1,-0.2 -0.991 54.8-126.9-125.8 126.6 -4.0 17.1 -12.1 168 76 B N + 0 0 105 -2,-0.5 -5,-0.0 -3,-0.1 0, 0.0 -0.599 37.9 169.3 -73.4 85.1 -5.7 13.8 -11.8 169 77 B V - 0 0 28 -2,-1.7 -2,-0.1 2,-0.1 4,-0.0 -0.897 31.1-141.4 -92.0 126.5 -6.5 13.7 -8.1 170 78 B P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.100 75.5 28.6 -86.2 29.7 -8.7 10.7 -7.7 171 79 B Y S S- 0 0 35 6,-0.0 2,-0.5 -31,-0.0 -2,-0.1 -0.919 92.9 -85.8-164.3 174.5 -11.1 12.3 -5.1 172 80 B T - 0 0 91 -2,-0.3 2,-0.3 4,-0.1 -13,-0.1 -0.889 41.9-122.9 -97.5 126.4 -12.4 15.7 -4.2 173 81 B I + 0 0 13 -2,-0.5 -12,-0.1 -15,-0.3 -29,-0.1 -0.503 59.4 117.4 -69.6 123.5 -10.2 17.7 -1.8 174 82 B S S S- 0 0 27 -2,-0.3 -27,-0.2 -16,-0.1 -26,-0.2 -0.960 79.1 -91.6-169.7 169.6 -12.2 18.7 1.4 175 83 B P S S+ 0 0 37 0, 0.0 2,-0.5 0, 0.0 -27,-0.1 0.616 118.4 57.2 -67.8 -7.9 -12.2 18.2 5.1 176 84 B D + 0 0 130 -4,-0.1 2,-0.4 2,-0.0 -4,-0.1 -0.871 69.2 147.7-129.0 94.8 -14.5 15.2 4.4 177 85 B I - 0 0 14 -2,-0.5 2,-1.0 -3,-0.1 -4,-0.1 -0.981 44.5-137.3-125.4 142.8 -13.1 12.6 2.1 178 86 B D > + 0 0 90 -2,-0.4 3,-0.6 1,-0.1 -2,-0.0 -0.846 30.1 173.1 -93.5 97.5 -13.7 8.9 2.0 179 87 B h T 3 + 0 0 4 -2,-1.0 3,-0.4 1,-0.2 -38,-0.2 0.414 60.2 78.8 -89.9 3.0 -10.1 7.8 1.4 180 88 B S T 3 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.1 -43,-0.1 0.608 94.2 46.6 -85.6 -11.2 -10.8 4.1 1.8 181 89 B R < + 0 0 190 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.413 67.9 134.9-133.3 56.0 -12.2 3.6 -1.7 182 90 B I 0 0 34 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.980 360.0 360.0 -72.4 -85.0 -10.0 5.3 -4.3 183 91 B Y 0 0 199 -50,-0.1 -1,-0.2 0, 0.0 -50,-0.0 -0.723 360.0 360.0-109.9 360.0 -9.3 3.2 -7.4