==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-10 3ML0 . COMPND 2 MOLECULE: PENICILLIN G ACYLASE, ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR N.K.VARSHNEY,R.S.KUMAR,Z.IGNATOVA,E.DODSON,C.G.SURESH . 746 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 47 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 5 2 1 2 1 2 1 2 2 1 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 5 4 4 0 2 2 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 1 0 0 2 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 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 Q 0 0 160 0, 0.0 2,-0.6 0, 0.0 742,-0.0 0.000 360.0 360.0 360.0 -8.9 34.9 18.0 -15.9 2 2 A V - 0 0 108 742,-0.2 2,-0.4 740,-0.0 742,-0.2 -0.741 360.0-176.7 -87.4 118.0 35.0 14.3 -16.8 3 3 A Q E -A 743 0A 68 740,-1.9 740,-2.8 -2,-0.6 2,-0.4 -0.907 17.9-137.7-117.6 144.1 37.5 12.3 -14.8 4 4 A S E -A 742 0A 71 -2,-0.4 2,-0.6 738,-0.2 738,-0.2 -0.842 9.3-159.6-102.8 134.1 38.5 8.7 -15.1 5 5 A V E -A 741 0A 1 736,-2.6 736,-3.4 -2,-0.4 2,-0.7 -0.924 6.0-159.5-116.5 107.7 39.0 6.5 -12.1 6 6 A E E -AB 740 18A 34 12,-1.4 12,-2.0 -2,-0.6 2,-0.5 -0.776 8.1-169.2 -92.2 111.0 41.1 3.3 -12.8 7 7 A V E -AB 739 17A 4 732,-3.0 732,-3.2 -2,-0.7 2,-0.4 -0.888 5.4-175.5-104.6 127.3 40.5 0.6 -10.1 8 8 A M E -AB 738 16A 10 8,-2.2 8,-2.2 -2,-0.5 2,-0.3 -0.983 9.5-154.3-131.4 129.5 42.9 -2.3 -10.1 9 9 A R E -AB 737 15A 25 728,-3.0 727,-3.0 -2,-0.4 728,-1.4 -0.803 10.3-143.7-107.8 143.6 42.7 -5.5 -7.9 10 10 A D E > -A 735 0A 3 4,-1.7 3,-1.3 -2,-0.3 725,-0.2 -0.010 42.3 -73.9 -90.3-164.5 45.7 -7.7 -6.9 11 11 A S T 3 S+ 0 0 77 723,-0.5 724,-0.1 1,-0.3 -2,-0.0 0.797 131.2 45.8 -64.5 -33.1 46.0 -11.5 -6.4 12 12 A Y T 3 S- 0 0 67 2,-0.1 683,-0.4 696,-0.0 -1,-0.3 0.210 121.9-102.5 -97.2 14.2 44.2 -11.5 -3.1 13 13 A G S < S+ 0 0 5 -3,-1.3 -2,-0.1 1,-0.2 695,-0.1 0.800 70.2 150.4 71.7 31.7 41.3 -9.3 -4.4 14 14 A V - 0 0 0 215,-0.0 -4,-1.7 681,-0.0 -1,-0.2 -0.866 41.8-128.2 -99.4 122.5 42.6 -6.1 -2.7 15 15 A P E -B 9 0A 0 0, 0.0 217,-1.5 0, 0.0 2,-0.4 -0.395 17.4-165.3 -75.2 144.2 41.7 -2.9 -4.7 16 16 A H E -Bc 8 232A 0 -8,-2.2 -8,-2.2 215,-0.2 2,-0.4 -0.963 13.7-152.8-128.1 112.7 44.2 -0.2 -5.7 17 17 A V E -Bc 7 233A 0 215,-2.2 217,-2.3 -2,-0.4 2,-0.5 -0.717 7.8-166.5 -94.7 130.7 42.6 3.1 -6.7 18 18 A F E +Bc 6 234A 23 -12,-2.0 -12,-1.4 -2,-0.4 2,-0.2 -0.972 27.5 132.7-117.2 122.8 44.3 5.5 -9.2 19 19 A A - 0 0 9 215,-1.8 217,-0.3 -2,-0.5 -14,-0.1 -0.875 48.9-138.3-151.9-177.7 43.0 9.1 -9.6 20 20 A D S S+ 0 0 142 -2,-0.2 2,-0.3 215,-0.2 216,-0.1 0.527 81.7 55.6-124.2 -19.2 44.0 12.8 -9.7 21 21 A S S > S- 0 0 24 1,-0.1 4,-2.0 214,-0.1 5,-0.1 -0.778 79.0-120.4-117.5 160.9 41.2 14.4 -7.6 22 22 A H H > S+ 0 0 31 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.847 115.9 50.3 -64.1 -37.1 39.9 14.0 -4.1 23 23 A Y H 4 S+ 0 0 30 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.859 112.8 46.2 -68.9 -38.0 36.4 13.3 -5.4 24 24 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.850 105.9 57.6 -74.6 -37.7 37.8 10.6 -7.8 25 25 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.858 113.1 39.1 -63.0 -39.1 40.0 8.8 -5.4 26 26 A Y H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.461 106.3 67.2 -93.9 -3.2 37.2 8.0 -3.0 27 27 A Y H > S+ 0 0 34 -3,-0.4 4,-1.8 -4,-0.4 -2,-0.2 0.906 107.5 38.6 -75.4 -48.0 34.7 7.3 -5.8 28 28 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.820 116.6 52.5 -69.3 -34.3 36.7 4.2 -6.8 29 29 A Y H X S+ 0 0 0 -4,-1.0 4,-1.5 -5,-0.2 -2,-0.2 0.889 111.7 46.1 -66.5 -41.5 37.3 3.4 -3.1 30 30 A G H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.823 112.6 51.2 -67.9 -33.5 33.5 3.7 -2.5 31 31 A Y H X S+ 0 0 25 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.836 108.1 51.6 -71.5 -36.1 32.9 1.5 -5.6 32 32 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.853 108.1 50.4 -71.4 -37.9 35.3 -1.2 -4.4 33 33 A V H X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.870 107.5 54.8 -67.4 -38.5 33.7 -1.5 -1.0 34 34 A A H < S+ 0 0 1 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 108.5 49.4 -64.0 -33.5 30.3 -1.8 -2.5 35 35 A Q H < S+ 0 0 47 -4,-1.1 3,-0.2 2,-0.1 -2,-0.2 0.912 121.7 31.6 -71.3 -45.4 31.5 -4.8 -4.7 36 36 A D H < S+ 0 0 13 -4,-1.8 2,-0.5 1,-0.2 661,-0.5 0.981 135.0 14.1 -77.9 -63.9 33.1 -6.7 -1.8 37 37 A R < + 0 0 3 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 -0.836 66.8 145.7-123.9 92.6 31.0 -5.9 1.3 38 38 A L S > S+ 0 0 8 -2,-0.5 4,-1.3 -3,-0.2 -1,-0.2 0.875 78.0 41.9 -90.8 -46.6 27.6 -4.3 0.4 39 39 A F H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.825 110.4 58.1 -72.3 -34.4 25.4 -5.7 3.2 40 40 A Q H > S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.871 110.5 42.6 -63.7 -39.6 28.1 -5.3 5.9 41 41 A M H > S+ 0 0 5 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.773 109.5 56.8 -79.4 -29.0 28.3 -1.5 5.3 42 42 A D H X S+ 0 0 0 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.831 112.9 41.9 -69.0 -34.2 24.5 -1.1 5.0 43 43 A M H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.649 109.6 61.3 -83.5 -19.2 24.1 -2.6 8.5 44 44 A A H X S+ 0 0 1 -4,-0.7 4,-0.8 2,-0.2 3,-0.4 0.939 103.8 46.1 -70.9 -49.7 27.1 -0.6 9.7 45 45 A R H >X S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 3,-0.8 0.880 111.7 52.5 -60.1 -40.7 25.6 2.8 9.0 46 46 A R H 3X>S+ 0 0 16 -4,-0.9 5,-1.8 1,-0.2 4,-1.1 0.766 103.9 57.9 -67.7 -28.0 22.3 1.7 10.7 47 47 A S H 3<5S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.706 117.7 31.1 -73.8 -22.3 24.2 0.6 13.8 48 48 A F H <<5S+ 0 0 6 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.629 123.6 42.9-113.4 -21.3 25.7 4.1 14.3 49 49 A V H <5S- 0 0 21 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.661 111.6-113.9 -96.0 -22.2 22.9 6.4 12.9 50 50 A G T <5S+ 0 0 0 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.934 77.5 118.1 90.8 57.4 20.1 4.4 14.6 51 51 A T > < + 0 0 35 -5,-1.8 3,-0.5 -8,-0.1 4,-0.3 -0.037 31.5 115.8-137.6 31.6 18.0 2.8 11.9 52 52 A T T >> S+ 0 0 0 -6,-0.7 4,-1.8 1,-0.2 3,-0.8 0.830 75.6 55.1 -69.8 -34.3 18.4 -0.9 12.6 53 53 A A H 3> S+ 0 0 0 11,-0.3 252,-2.3 1,-0.2 4,-0.7 0.622 91.1 75.8 -75.4 -14.3 14.7 -1.4 13.5 54 54 A A H <4 S+ 0 0 21 -3,-0.5 -1,-0.2 250,-0.3 -2,-0.2 0.758 115.8 13.9 -68.9 -27.0 13.6 0.0 10.1 55 55 A V H <4 S+ 0 0 14 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.1 0.643 133.9 42.6-120.5 -30.2 14.6 -3.2 8.3 56 56 A L H < S- 0 0 32 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.598 92.4-158.7 -94.0 -15.0 15.1 -5.8 11.0 57 57 A G < - 0 0 4 -4,-0.7 2,-0.2 -5,-0.3 -1,-0.2 -0.328 45.6 -13.3 71.1-153.1 12.0 -4.8 12.9 58 58 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 246,-0.0 -0.607 69.7-127.0 -86.0 144.5 11.7 -5.6 16.6 59 59 A G > - 0 0 13 -2,-0.2 3,-2.2 1,-0.1 6,-0.0 -0.328 44.2 -77.9 -85.0 169.3 13.9 -8.1 18.3 60 60 A E T 3 S+ 0 0 204 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.757 134.8 7.6 -34.5 -31.2 12.9 -11.2 20.4 61 61 A Q T 3 S- 0 0 160 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 -0.263 125.6 -73.5-152.5 55.5 12.3 -8.5 23.1 62 62 A D S <> S+ 0 0 56 -3,-2.2 4,-2.6 1,-0.1 5,-0.3 0.854 85.9 142.2 54.7 37.1 12.7 -5.1 21.6 63 63 A A H > S+ 0 0 57 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.848 70.7 46.3 -75.0 -35.8 16.4 -5.6 21.5 64 64 A Y H 4 S+ 0 0 50 2,-0.2 4,-0.5 3,-0.1 -11,-0.3 0.686 119.8 41.9 -79.2 -19.4 16.8 -3.9 18.1 65 65 A V H > S+ 0 0 1 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.901 110.7 50.8 -91.1 -53.5 14.6 -1.0 19.3 66 66 A K H X S+ 0 0 133 -4,-2.6 4,-0.8 1,-0.3 -3,-0.2 0.859 117.1 44.1 -53.0 -43.8 15.9 -0.5 22.9 67 67 A Y H X S+ 0 0 43 -4,-1.1 4,-2.1 -5,-0.3 3,-0.3 0.853 105.9 61.2 -62.9 -41.1 19.4 -0.3 21.5 68 68 A D H > S+ 0 0 0 -4,-0.5 4,-1.0 1,-0.3 -2,-0.2 0.779 105.9 48.0 -61.5 -27.6 18.2 1.9 18.6 69 69 A M H X S+ 0 0 49 -4,-1.7 4,-0.9 2,-0.2 -1,-0.3 0.759 108.1 55.7 -79.9 -29.1 17.2 4.5 21.3 70 70 A Q H X S+ 0 0 99 -4,-0.8 4,-1.0 -3,-0.3 -2,-0.2 0.879 108.4 45.7 -71.4 -41.1 20.6 4.1 23.0 71 71 A V H X S+ 0 0 18 -4,-2.1 4,-0.9 1,-0.2 3,-0.2 0.863 111.1 52.0 -72.4 -37.7 22.7 5.0 19.9 72 72 A R H < S+ 0 0 27 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.757 106.9 56.2 -67.6 -26.6 20.5 8.0 19.0 73 73 A Q H < S+ 0 0 37 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 98.7 60.5 -74.7 -34.1 20.9 9.3 22.5 74 74 A N H < S+ 0 0 25 -4,-1.0 2,-0.2 -3,-0.2 -2,-0.2 0.842 108.8 35.8 -66.0 -38.7 24.7 9.3 22.4 75 75 A F < - 0 0 9 -4,-0.9 66,-0.0 -26,-0.0 -26,-0.0 -0.733 69.1-135.7-115.2 163.8 25.1 11.7 19.5 76 76 A T > - 0 0 17 -2,-0.2 4,-1.0 1,-0.1 3,-0.5 -0.988 7.1-155.1-119.4 122.3 23.4 14.9 18.2 77 77 A P H > S+ 0 0 34 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.810 92.0 58.8 -64.4 -33.5 22.7 15.1 14.4 78 78 A A H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.813 102.2 53.5 -66.8 -33.4 22.6 18.9 14.4 79 79 A S H > S+ 0 0 13 -3,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.817 112.0 44.1 -71.3 -33.2 26.1 19.2 15.8 80 80 A I H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 5,-0.2 0.851 104.9 61.9 -80.6 -37.8 27.6 17.0 13.1 81 81 A Q H X S+ 0 0 104 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.841 105.8 47.5 -56.6 -38.0 25.7 18.6 10.2 82 82 A R H X S+ 0 0 164 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.856 108.8 55.0 -69.9 -37.9 27.4 21.9 10.9 83 83 A Q H < S+ 0 0 16 -4,-0.8 4,-0.4 2,-0.2 -2,-0.2 0.829 108.9 46.4 -67.1 -36.0 30.8 20.3 11.1 84 84 A I H >< S+ 0 0 4 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.886 112.5 50.1 -72.8 -41.0 30.5 18.7 7.6 85 85 A A H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.751 102.6 62.1 -68.7 -26.2 29.2 21.9 6.0 86 86 A A T 3< S+ 0 0 84 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.648 85.7 99.4 -74.4 -17.0 32.2 23.9 7.6 87 87 A L S < S- 0 0 24 -3,-0.9 -3,-0.0 -4,-0.4 5,-0.0 -0.318 78.7-107.2 -70.6 154.4 34.7 21.8 5.6 88 88 A S > - 0 0 60 1,-0.1 4,-2.0 -2,-0.0 5,-0.2 -0.068 34.8 -94.0 -74.7 178.8 36.2 23.1 2.4 89 89 A K H > S+ 0 0 112 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.901 124.7 43.3 -62.9 -46.0 35.5 22.0 -1.2 90 90 A D H 4 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.791 114.4 51.7 -70.9 -30.2 38.3 19.4 -1.4 91 91 A E H >> S+ 0 0 63 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.817 108.7 49.4 -77.0 -33.8 37.5 18.1 2.1 92 92 A R H 3X S+ 0 0 57 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.765 100.2 65.4 -75.5 -27.4 33.8 17.5 1.4 93 93 A D H 3X S+ 0 0 32 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.647 91.3 65.7 -70.2 -16.4 34.5 15.7 -1.8 94 94 A I H <> S+ 0 0 5 -3,-0.5 4,-0.8 -4,-0.3 -1,-0.2 0.904 112.7 31.1 -68.1 -43.6 36.2 12.9 0.3 95 95 A F H X S+ 0 0 2 -4,-0.5 4,-1.6 -3,-0.4 -2,-0.2 0.842 122.3 48.7 -84.5 -38.5 32.8 12.1 1.9 96 96 A R H X S+ 0 0 111 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.878 111.4 50.4 -67.6 -40.5 30.6 13.0 -1.1 97 97 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.831 110.2 51.1 -64.9 -34.2 32.8 10.9 -3.5 98 98 A Y H X S+ 0 0 4 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.848 113.0 45.3 -69.9 -37.0 32.6 8.0 -1.1 99 99 A A H X S+ 0 0 4 -4,-1.6 4,-1.7 2,-0.2 31,-0.4 0.902 116.3 44.2 -72.6 -44.6 28.8 8.3 -1.0 100 100 A D H X S+ 0 0 59 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.797 112.7 53.5 -70.6 -31.0 28.4 8.7 -4.8 101 101 A G H X S+ 0 0 0 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.859 110.2 46.3 -70.2 -38.7 30.9 5.9 -5.4 102 102 A Y H X S+ 0 0 2 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.847 113.2 50.0 -70.4 -36.9 28.9 3.5 -3.2 103 103 A N H X S+ 0 0 39 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.691 99.4 68.0 -74.6 -21.0 25.7 4.5 -4.9 104 104 A A H X S+ 0 0 22 -4,-1.0 4,-0.5 2,-0.2 -1,-0.2 0.922 108.4 35.0 -64.3 -47.5 27.2 4.0 -8.3 105 105 A Y H X S+ 0 0 15 -4,-1.0 4,-0.6 2,-0.2 -1,-0.2 0.774 114.2 60.4 -76.4 -28.6 27.5 0.2 -7.9 106 106 A L H >X S+ 0 0 1 -4,-1.2 4,-0.8 1,-0.2 3,-0.5 0.845 101.8 52.0 -66.4 -36.6 24.2 0.2 -5.9 107 107 A E H 3X S+ 0 0 129 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.729 104.4 58.0 -71.5 -23.5 22.3 1.6 -8.9 108 108 A Q H 3X S+ 0 0 59 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.671 94.8 65.6 -78.5 -19.7 23.8 -1.2 -11.0 109 109 A V H << S+ 0 0 11 -4,-0.6 7,-0.2 -3,-0.5 6,-0.2 0.858 98.8 51.9 -69.3 -37.2 22.2 -3.7 -8.6 110 110 A R H < S+ 0 0 137 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.0 50.2 -65.6 -35.3 18.7 -2.6 -9.7 111 111 A R H < S+ 0 0 213 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.925 121.7 29.2 -69.7 -48.4 19.7 -3.1 -13.3 112 112 A R >< - 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