==== 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 TRANSFERASE 23-JAN-08 3C1N . COMPND 2 MOLECULE: PROBABLE ASPARTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR X.LIU,A.G.PAVLOVSHY,R.E.VIOLA . 1832 22 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1385 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 134 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.3 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 1 1 1 2 0 5 9 4 7 4 2 2 0 3 0 0 1 1 2 0 0 4 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 3 1 10 4 10 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 . 4 0 20 2 2 0 8 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 0 0 4 0 0 0 0 2 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 2 A T 0 0 26 0, 0.0 222,-2.6 0, 0.0 223,-1.3 0.000 360.0 360.0 360.0 156.0 72.4 39.5 33.7 2 3 A T E -ab 34 224A 0 31,-2.4 33,-2.4 221,-0.2 2,-0.5 -0.960 360.0-162.6-120.9 123.9 68.9 39.4 35.2 3 4 A V E -ab 35 225A 0 221,-2.1 223,-3.3 -2,-0.5 2,-0.5 -0.913 13.3-164.7-103.1 132.8 65.7 40.8 33.7 4 5 A M E -ab 36 226A 0 31,-2.8 33,-2.5 -2,-0.5 2,-0.4 -0.958 2.1-163.8-125.8 112.7 62.9 41.1 36.3 5 6 A K E -ab 37 227A 7 221,-3.5 223,-2.6 -2,-0.5 2,-0.3 -0.771 6.5-177.5 -99.6 142.7 59.3 41.7 35.3 6 7 A F E -ab 38 228A 0 31,-1.9 33,-1.9 -2,-0.4 223,-0.1 -0.994 12.1-150.3-133.8 140.1 56.5 42.9 37.6 7 8 A G > - 0 0 0 221,-0.9 4,-1.3 -2,-0.3 35,-0.2 -0.360 37.3 -76.4-104.0-173.3 52.9 43.4 36.8 8 9 A G T 4 S+ 0 0 15 1,-0.2 34,-1.8 2,-0.2 221,-0.0 0.758 124.6 48.2 -55.6 -40.1 50.0 45.5 37.9 9 10 A T T >4 S+ 0 0 44 1834,-3.7 3,-2.2 1,-0.2 -1,-0.2 0.938 108.2 55.1 -66.1 -47.9 49.1 43.8 41.1 10 11 A S T 34 S+ 0 0 1 1,-0.3 10,-0.3 218,-0.2 -2,-0.2 0.753 118.0 35.6 -57.3 -29.5 52.8 43.7 42.3 11 12 A V T 3< S+ 0 0 2 -4,-1.3 -1,-0.3 29,-0.2 -2,-0.2 -0.164 82.9 128.2-113.0 37.3 52.9 47.5 41.8 12 13 A G S < S+ 0 0 10 -3,-2.2 2,-0.3 29,-0.2 -1,-0.1 0.756 75.7 3.6 -67.3 -29.0 49.3 48.0 43.0 13 14 A S S > S- 0 0 34 -4,-0.2 4,-2.2 -3,-0.2 5,-0.2 -0.953 83.1 -93.2-150.8 167.9 50.1 50.6 45.6 14 15 A G H > S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.886 124.2 54.2 -50.1 -46.9 53.1 52.7 46.9 15 16 A E H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 109.9 45.9 -50.2 -55.2 53.7 50.1 49.6 16 17 A R H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.819 110.2 54.6 -63.7 -31.9 53.9 47.3 47.0 17 18 A I H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.948 107.9 49.0 -65.1 -49.4 56.2 49.4 44.8 18 19 A R H X S+ 0 0 86 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.874 111.8 50.4 -54.6 -39.9 58.6 49.9 47.8 19 20 A H H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 107.8 52.0 -68.9 -40.8 58.4 46.1 48.3 20 21 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 -10,-0.3 -2,-0.2 0.940 108.4 52.0 -57.0 -46.8 59.2 45.5 44.6 21 22 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.868 106.7 53.4 -57.9 -39.8 62.2 47.8 44.9 22 23 A K H X S+ 0 0 106 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.936 109.8 47.7 -60.0 -49.0 63.4 45.8 48.0 23 24 A I H X S+ 0 0 16 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.915 113.7 48.3 -54.7 -48.3 63.2 42.6 45.9 24 25 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.945 111.5 48.4 -59.6 -53.3 65.1 44.3 43.1 25 26 A T H X S+ 0 0 12 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.841 108.8 55.0 -55.6 -40.2 67.8 45.6 45.3 26 27 A K H >< S+ 0 0 123 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.910 109.6 45.5 -61.6 -45.1 68.3 42.2 47.0 27 28 A R H >X S+ 0 0 59 -4,-1.8 4,-3.1 1,-0.2 3,-1.4 0.842 103.9 64.7 -67.5 -34.5 68.9 40.5 43.6 28 29 A K H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 96.8 56.1 -60.7 -30.2 71.3 43.3 42.5 29 30 A K T << S+ 0 0 175 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.636 114.4 39.6 -79.0 -13.4 73.6 42.3 45.3 30 31 A E T <4 S+ 0 0 126 -3,-1.4 2,-0.4 -4,-0.4 -2,-0.2 0.753 124.9 38.0 -97.1 -37.2 73.7 38.7 43.9 31 32 A D < - 0 0 17 -4,-3.1 -1,-0.3 1,-0.1 -29,-0.1 -0.976 67.9-151.4-120.5 125.6 73.7 39.9 40.2 32 33 A D S S+ 0 0 124 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.906 84.2 51.0 -55.0 -48.5 75.7 42.9 39.0 33 34 A D + 0 0 52 153,-0.0 -31,-2.4 2,-0.0 2,-0.4 -0.847 66.2 172.2-108.1 119.0 73.4 43.8 36.0 34 35 A V E -a 2 0A 0 -2,-0.6 2,-0.5 151,-0.2 -31,-0.2 -0.971 12.7-174.6-132.9 120.1 69.7 44.1 36.5 35 36 A V E -a 3 0A 0 -33,-2.4 -31,-2.8 -2,-0.4 2,-0.4 -0.958 13.0-159.8-110.4 127.2 67.0 45.3 34.1 36 37 A V E -ac 4 188A 0 151,-2.4 153,-3.1 -2,-0.5 2,-0.5 -0.907 2.8-158.6-109.8 133.4 63.4 45.7 35.5 37 38 A V E -ac 5 189A 0 -33,-2.5 -31,-1.9 -2,-0.4 2,-0.4 -0.932 15.8-161.5-108.6 131.0 60.4 45.7 33.3 38 39 A V E -ac 6 190A 1 151,-3.1 153,-2.4 -2,-0.5 95,-0.2 -0.953 9.9-151.6-128.5 132.5 57.2 47.3 34.8 39 40 A S - 0 0 14 -33,-1.9 2,-0.1 -2,-0.4 3,-0.1 -0.258 40.2 -82.9 -77.4 170.3 53.5 47.2 34.0 40 41 A A - 0 0 6 1,-0.1 -29,-0.2 92,-0.1 89,-0.2 -0.431 59.2 -86.4 -68.2 149.9 51.0 49.9 34.7 41 42 A M > - 0 0 3 87,-0.5 3,-1.1 1,-0.1 4,-0.5 -0.348 65.8 -79.9 -57.2 140.5 49.5 50.1 38.3 42 43 A S T 3 S+ 0 0 37 -34,-1.8 -1,-0.1 1,-0.2 -33,-0.0 -0.082 114.2 12.2 -50.4 140.0 46.5 47.7 38.5 43 44 A E T 3 S+ 0 0 132 -3,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.758 100.2 100.3 60.9 31.0 43.2 49.0 37.1 44 45 A V S <> S+ 0 0 4 -3,-1.1 4,-2.8 2,-0.1 5,-0.2 0.763 76.5 52.3-105.1 -47.9 44.9 52.0 35.3 45 46 A T H > S+ 0 0 43 -4,-0.5 4,-2.5 1,-0.2 5,-0.1 0.943 112.8 47.9 -47.8 -51.8 45.0 50.6 31.8 46 47 A N H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 109.2 51.6 -60.7 -42.0 41.3 49.9 32.1 47 48 A A H > S+ 0 0 13 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.919 114.1 46.3 -58.5 -42.0 40.5 53.4 33.5 48 49 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.841 107.0 57.6 -66.3 -37.6 42.5 54.6 30.4 49 50 A V H X S+ 0 0 75 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.893 110.5 42.6 -63.8 -38.4 40.6 52.3 28.0 50 51 A E H X S+ 0 0 111 -4,-1.8 4,-2.1 2,-0.2 3,-0.3 0.856 107.7 54.7 -83.4 -37.6 37.2 53.6 28.9 51 52 A I H X S+ 0 0 11 -4,-1.6 4,-3.6 1,-0.2 5,-0.2 0.833 102.8 61.7 -63.4 -31.0 37.9 57.4 29.0 52 53 A S H X S+ 0 0 2 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.880 111.7 36.4 -57.6 -41.9 39.2 56.9 25.5 53 54 A Q H X S+ 0 0 72 -4,-0.8 4,-1.9 -3,-0.3 5,-0.3 0.731 115.2 57.4 -80.1 -25.3 35.7 55.8 24.6 54 55 A Q H <>S+ 0 0 65 -4,-2.1 5,-2.0 2,-0.2 6,-0.4 0.911 107.5 46.8 -69.7 -44.0 34.2 58.3 27.0 55 56 A A H <5S+ 0 0 1 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.2 48.7 -65.5 -33.3 36.0 61.2 25.2 56 57 A L H <5S+ 0 0 43 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.863 124.9 22.4 -75.8 -38.2 34.9 59.8 21.8 57 58 A D T <5S+ 0 0 103 -4,-1.9 -3,-0.2 3,-0.0 -2,-0.1 0.909 131.9 26.4 -97.1 -80.6 31.2 59.3 22.6 58 59 A V T 5S- 0 0 89 -5,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.784 84.8-162.6 -61.3 -28.8 29.7 61.3 25.5 59 60 A R < + 0 0 115 -5,-2.0 2,-0.3 1,-0.2 -4,-0.2 0.630 20.8 165.9 62.9 21.0 32.4 63.9 24.8 60 61 A D - 0 0 95 -6,-0.4 4,-0.4 1,-0.1 -1,-0.2 -0.557 30.4-154.8 -75.7 130.2 32.2 65.8 28.1 61 62 A I S > S+ 0 0 92 -2,-0.3 4,-1.2 1,-0.2 3,-0.5 0.841 95.7 48.7 -70.7 -36.5 35.2 68.1 28.8 62 63 A A H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 99.7 64.6 -72.4 -38.4 34.7 67.9 32.6 63 64 A K H > S+ 0 0 104 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.685 103.6 51.4 -57.6 -20.0 34.5 64.1 32.6 64 65 A V H > S+ 0 0 3 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.887 108.4 46.7 -82.7 -47.4 38.1 64.3 31.4 65 66 A G H X S+ 0 0 25 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.782 109.7 58.1 -62.7 -28.0 39.3 66.6 34.1 66 67 A D H X S+ 0 0 119 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.847 108.7 43.7 -67.5 -38.7 37.4 64.2 36.4 67 68 A F H X S+ 0 0 16 -4,-0.7 4,-2.0 -3,-0.2 -2,-0.2 0.837 110.8 56.1 -74.6 -36.1 39.5 61.4 35.2 68 69 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.936 105.1 50.0 -62.0 -49.6 42.7 63.5 35.4 69 70 A K H X S+ 0 0 128 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.841 108.6 56.5 -57.6 -35.6 42.2 64.3 39.1 70 71 A F H X S+ 0 0 100 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.956 110.6 39.9 -61.6 -55.2 41.7 60.5 39.7 71 72 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.892 113.3 57.9 -61.5 -41.4 45.1 59.4 38.1 72 73 A R H X S+ 0 0 51 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.968 112.6 38.6 -49.9 -58.1 46.7 62.4 39.8 73 74 A E H X S+ 0 0 116 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.894 111.9 57.6 -63.0 -45.7 45.6 61.3 43.2 74 75 A K H X S+ 0 0 64 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.905 117.7 32.7 -50.7 -48.6 46.2 57.5 42.5 75 76 A H H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.775 111.0 62.6 -86.7 -29.1 49.9 58.1 41.7 76 77 A Y H X S+ 0 0 74 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.920 107.2 47.7 -54.9 -45.9 50.5 61.0 44.1 77 78 A K H X S+ 0 0 148 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.887 107.6 54.3 -63.4 -43.9 49.6 58.6 46.9 78 79 A A H X S+ 0 0 3 -4,-1.1 4,-2.2 -5,-0.2 5,-0.3 0.897 107.5 51.0 -58.2 -43.4 52.0 55.9 45.5 79 80 A I H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.922 110.0 50.4 -58.9 -45.6 54.8 58.4 45.5 80 81 A E H < S+ 0 0 116 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.849 119.1 36.3 -61.0 -37.6 54.1 59.3 49.2 81 82 A E H < S+ 0 0 94 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.632 119.4 45.9 -96.1 -16.8 54.1 55.6 50.2 82 83 A A H < 0 0 0 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.883 360.0 360.0 -88.0 -45.8 56.8 54.2 48.0 83 84 A I < 0 0 20 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.791 360.0 360.0-108.8 360.0 59.5 56.9 48.6 84 ! 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 85 86 A S > 0 0 70 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 103.8 62.6 60.9 51.0 86 87 A E H > + 0 0 120 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.728 360.0 64.9 -70.8 -25.2 61.3 64.3 50.0 87 88 A E H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.971 109.8 33.9 -59.1 -58.7 64.2 64.7 47.6 88 89 A I H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.841 111.4 65.2 -68.6 -34.7 63.2 61.9 45.3 89 90 A K H X S+ 0 0 52 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.827 102.8 49.5 -55.7 -34.8 59.5 62.7 45.9 90 91 A E H X S+ 0 0 114 -4,-1.3 4,-1.3 -3,-0.5 -2,-0.2 0.958 109.9 45.0 -74.3 -52.4 60.0 66.0 44.2 91 92 A E H X S+ 0 0 74 -4,-1.3 4,-1.6 1,-0.2 3,-0.4 0.913 115.8 48.2 -58.8 -45.3 61.8 65.0 41.0 92 93 A V H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.867 105.5 59.5 -60.7 -40.5 59.4 62.1 40.4 93 94 A K H X S+ 0 0 72 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.807 104.7 49.8 -59.8 -33.8 56.4 64.4 41.0 94 95 A K H X S+ 0 0 137 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.924 108.7 50.6 -71.5 -46.7 57.5 66.6 38.1 95 96 A I H X S+ 0 0 65 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.916 113.6 47.7 -52.9 -45.7 57.9 63.6 35.7 96 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 110.5 49.6 -64.2 -47.0 54.3 62.6 36.8 97 98 A D H X S+ 0 0 38 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.889 110.4 51.9 -58.4 -42.3 52.9 66.1 36.3 98 99 A S H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.894 110.7 45.9 -64.3 -44.6 54.4 66.3 32.8 99 100 A R H X S+ 0 0 59 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.862 113.2 51.4 -67.8 -34.8 53.0 63.0 31.6 100 101 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.914 108.4 49.7 -70.2 -43.5 49.6 63.9 33.1 101 102 A E H X S+ 0 0 120 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.962 113.1 48.8 -53.0 -52.5 49.5 67.3 31.3 102 103 A E H X S+ 0 0 53 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.889 111.5 49.2 -51.6 -47.4 50.4 65.4 28.1 103 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.903 108.4 52.9 -62.5 -45.8 47.6 62.9 28.8 104 105 A E H X S+ 0 0 67 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.956 105.4 54.8 -55.3 -55.3 45.0 65.5 29.4 105 106 A K H X S+ 0 0 70 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.892 108.1 47.4 -43.5 -58.1 45.8 67.3 26.1 106 107 A V H X S+ 0 0 10 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.918 113.6 47.4 -56.1 -50.5 45.2 64.2 23.9 107 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.912 111.7 50.4 -56.0 -46.9 42.0 63.3 25.7 108 109 A I H X S+ 0 0 24 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.903 112.1 51.1 -55.6 -41.0 40.8 66.9 25.3 109 110 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.913 108.0 47.6 -63.8 -48.7 41.8 66.6 21.7 110 111 A V H X>S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 5,-0.8 0.843 115.1 49.1 -64.9 -31.0 39.8 63.4 21.0 111 112 A A H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.954 111.9 47.4 -67.3 -52.2 36.9 65.1 22.7 112 113 A 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