==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-04 1T7O . COMPND 2 MOLECULE: CARNITINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.-S.HSIAO,G.JOGL,L.TONG . 599 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.5 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 35 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 1 0 1 0 1 2 2 2 2 1 0 1 0 0 2 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 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 . 2 2 2 2 1 2 0 1 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 . 1 1 0 0 1 0 1 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 27 A S 0 0 16 0, 0.0 5,-0.2 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0-144.5 60.5 20.1 -4.5 2 28 A H > - 0 0 120 128,-0.4 4,-1.9 130,-0.2 5,-0.2 0.078 360.0-139.2 -35.0 131.0 62.8 22.6 -6.3 3 29 A M H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 103.1 54.4 -61.1 -45.9 62.7 26.1 -4.9 4 30 A A H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.885 107.1 52.8 -56.4 -42.1 62.8 27.7 -8.3 5 31 A H H >4 S+ 0 0 19 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.967 111.5 42.7 -58.9 -57.7 59.8 25.5 -9.4 6 32 A Q H >< S+ 0 0 27 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.804 109.7 59.5 -61.2 -31.7 57.6 26.6 -6.4 7 33 A D H 3< S+ 0 0 121 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.730 101.6 54.6 -69.0 -23.8 58.7 30.2 -6.8 8 34 A A T << S+ 0 0 71 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.541 84.0 111.8 -87.4 -7.7 57.3 30.2 -10.4 9 35 A L S < S- 0 0 17 -3,-0.8 2,-0.2 -4,-0.5 425,-0.1 -0.379 72.2-120.2 -69.4 139.7 53.8 29.1 -9.4 10 36 A P - 0 0 53 0, 0.0 425,-1.9 0, 0.0 2,-0.2 -0.537 33.5-114.9 -75.7 149.4 51.0 31.6 -9.7 11 37 A R - 0 0 149 423,-0.2 59,-0.1 -2,-0.2 425,-0.1 -0.598 41.0 -84.0 -85.4 148.0 49.3 32.3 -6.4 12 38 A L - 0 0 10 423,-0.5 59,-0.3 57,-0.4 -1,-0.1 -0.211 56.0-136.9 -50.0 131.0 45.7 31.2 -5.8 13 39 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 421,-0.0 -0.368 7.9-127.2 -90.7 171.2 43.5 34.0 -7.2 14 40 A V - 0 0 26 -2,-0.1 3,-0.1 48,-0.0 474,-0.0 -0.969 33.9-136.8-114.1 109.2 40.4 35.7 -6.1 15 41 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 473,-0.1 -0.256 32.2 -85.9 -66.0 156.4 37.8 35.5 -8.9 16 42 A P > - 0 0 74 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.398 34.9-126.5 -63.6 137.8 35.7 38.5 -9.8 17 43 A L H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.901 109.4 49.7 -48.5 -51.3 32.6 38.8 -7.7 18 44 A Q H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.860 110.6 51.6 -60.8 -36.3 30.3 39.0 -10.7 19 45 A Q H > S+ 0 0 55 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.981 113.3 41.6 -64.7 -57.1 31.9 36.0 -12.3 20 46 A S H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.867 115.5 50.5 -59.6 -39.8 31.5 33.7 -9.2 21 47 A L H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.835 110.6 50.0 -70.3 -30.4 28.0 34.9 -8.5 22 48 A D H X S+ 0 0 75 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.960 111.8 46.4 -70.4 -49.8 26.9 34.3 -12.1 23 49 A Y H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.868 109.5 58.2 -57.3 -36.4 28.4 30.8 -12.1 24 50 A Y H X S+ 0 0 2 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.928 106.2 46.1 -60.3 -47.0 26.7 30.3 -8.7 25 51 A L H X S+ 0 0 13 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.892 110.8 53.0 -64.7 -39.5 23.2 31.1 -10.1 26 52 A K H < S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.2 47.8 -62.1 -40.7 23.8 28.8 -13.2 27 53 A A H < S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.678 109.7 54.0 -74.8 -19.5 24.7 25.9 -10.9 28 54 A L H >X S+ 0 0 1 -4,-1.1 3,-2.1 -3,-0.4 4,-1.3 0.838 89.1 77.6 -81.4 -36.9 21.7 26.5 -8.6 29 55 A Q T 3< S+ 0 0 102 -4,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.797 93.1 49.1 -44.9 -41.2 19.1 26.4 -11.4 30 56 A P T 34 S+ 0 0 14 0, 0.0 392,-0.5 0, 0.0 -1,-0.3 0.685 118.6 38.3 -78.4 -12.1 19.1 22.6 -11.7 31 57 A I T <4 S+ 0 0 24 -3,-2.1 2,-0.3 -4,-0.2 -2,-0.2 0.470 107.6 54.7-117.9 -3.7 18.7 21.9 -8.0 32 58 A V S < S- 0 0 21 -4,-1.3 2,-0.1 -3,-0.2 484,-0.0 -0.805 82.7 -98.1-125.4 169.9 16.3 24.6 -6.5 33 59 A S > - 0 0 45 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.321 37.4-108.3 -79.5 168.5 12.8 25.7 -7.3 34 60 A E H > S+ 0 0 156 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.870 119.6 51.9 -66.7 -36.8 12.1 28.8 -9.3 35 61 A E H > S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.963 111.7 46.4 -62.3 -51.4 10.9 30.8 -6.3 36 62 A E H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.829 115.1 48.2 -59.6 -33.5 14.1 29.9 -4.4 37 63 A W H X S+ 0 0 65 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.872 110.3 50.4 -75.8 -39.0 16.1 30.8 -7.5 38 64 A A H X S+ 0 0 45 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.957 113.2 45.5 -63.4 -49.6 14.3 34.1 -8.0 39 65 A H H X S+ 0 0 108 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.908 112.9 49.2 -60.3 -45.1 14.9 35.1 -4.4 40 66 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.840 107.8 57.7 -63.7 -30.8 18.6 34.0 -4.5 41 67 A K H X S+ 0 0 66 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.939 108.1 45.1 -63.6 -45.3 18.8 36.0 -7.7 42 68 A Q H X S+ 0 0 104 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.936 113.1 49.7 -63.9 -45.7 17.6 39.1 -5.8 43 69 A L H X S+ 0 0 14 -4,-2.7 4,-1.8 1,-0.2 468,-0.2 0.850 105.7 58.2 -62.0 -35.0 20.0 38.4 -2.9 44 70 A V H X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.873 107.5 47.0 -62.8 -38.8 22.9 38.0 -5.4 45 71 A D H >X S+ 0 0 58 -4,-1.5 3,-0.8 -3,-0.3 4,-0.8 0.978 110.2 50.0 -67.4 -54.7 22.4 41.5 -6.8 46 72 A E H >< S+ 0 0 112 -4,-2.0 3,-0.6 1,-0.3 8,-0.3 0.837 107.6 57.2 -50.2 -37.9 22.1 43.2 -3.4 47 73 A F H 3< S+ 0 0 11 -4,-1.8 7,-1.6 1,-0.2 8,-0.4 0.872 115.1 35.4 -63.5 -39.6 25.3 41.4 -2.4 48 74 A Q H << S+ 0 0 44 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.329 87.6 131.9 -99.8 8.9 27.3 42.9 -5.3 49 75 A T S X< S- 0 0 79 -4,-0.8 3,-2.4 -3,-0.6 6,-0.4 -0.191 74.1 -74.7 -59.4 152.8 25.6 46.3 -5.4 50 76 A S T 3 S- 0 0 111 1,-0.3 -1,-0.2 4,-0.1 3,-0.1 -0.233 117.1 -1.6 -53.1 127.0 27.8 49.3 -5.6 51 77 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.479 107.3 135.8 69.6 3.0 29.5 50.1 -2.3 52 78 A G S <> S- 0 0 10 -3,-2.4 4,-1.5 -4,-0.1 3,-0.3 0.005 73.2 -86.2 -75.3-178.5 27.7 47.1 -0.8 53 79 A V H > S+ 0 0 68 -7,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 121.6 59.4 -55.2 -48.6 28.7 44.3 1.5 54 80 A G H > S+ 0 0 0 -7,-1.6 4,-3.2 -8,-0.3 -1,-0.2 0.892 104.5 50.7 -49.2 -47.3 29.9 42.0 -1.2 55 81 A E H > S+ 0 0 58 -8,-0.4 4,-2.9 -6,-0.4 5,-0.3 0.929 109.5 49.2 -59.1 -48.3 32.5 44.6 -2.4 56 82 A R H X S+ 0 0 145 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.872 115.8 44.0 -60.1 -37.8 33.9 45.1 1.1 57 83 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.936 111.8 53.2 -72.1 -45.2 34.3 41.4 1.6 58 84 A Q H X S+ 0 0 13 -4,-3.2 4,-2.1 1,-0.3 3,-0.3 0.926 110.0 47.0 -53.7 -51.3 35.7 40.9 -1.9 59 85 A K H X S+ 0 0 109 -4,-2.9 4,-2.5 1,-0.2 -1,-0.3 0.782 106.9 60.0 -63.6 -26.2 38.4 43.5 -1.3 60 86 A G H X S+ 0 0 2 -4,-1.0 4,-2.8 -5,-0.3 -1,-0.2 0.917 106.2 46.1 -66.4 -42.9 39.0 41.8 2.0 61 87 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.3 -2,-0.2 0.887 111.4 52.4 -66.1 -39.2 39.9 38.6 0.1 62 88 A E H X S+ 0 0 80 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.920 112.0 44.7 -64.8 -43.0 42.0 40.5 -2.3 63 89 A R H >X S+ 0 0 136 -4,-2.5 3,-1.6 1,-0.2 4,-1.5 0.967 111.0 55.6 -62.6 -48.6 44.0 42.1 0.5 64 90 A R H 3< S+ 0 0 12 -4,-2.8 4,-0.2 1,-0.3 -1,-0.2 0.815 105.0 52.4 -51.5 -36.2 44.2 38.7 2.2 65 91 A A H 3< S+ 0 0 13 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.688 105.2 55.2 -75.9 -20.8 45.8 37.3 -0.9 66 92 A K H << S+ 0 0 157 -3,-1.6 -2,-0.2 -4,-0.9 -1,-0.2 0.781 112.0 43.0 -81.0 -30.1 48.5 40.0 -1.0 67 93 A K S < S+ 0 0 157 -4,-1.5 2,-0.3 -3,-0.0 -2,-0.2 0.320 113.2 54.9 -99.5 8.7 49.6 39.2 2.5 68 94 A M S S- 0 0 58 -4,-0.2 3,-0.3 -3,-0.2 4,-0.1 -0.990 74.2-128.7-141.3 151.9 49.5 35.4 2.3 69 95 A E S S+ 0 0 128 -2,-0.3 -57,-0.4 1,-0.3 2,-0.4 0.906 107.9 11.0 -61.9 -40.4 51.0 32.7 0.1 70 96 A N > - 0 0 9 -59,-0.1 4,-0.5 -6,-0.1 -1,-0.3 -0.953 66.1-153.9-141.9 116.9 47.5 31.3 -0.3 71 97 A W T 4 S+ 0 0 5 -2,-0.4 4,-0.2 -59,-0.3 -1,-0.1 0.719 99.1 38.7 -64.3 -18.0 44.4 33.2 0.8 72 98 A L T > S+ 0 0 6 2,-0.1 4,-3.3 3,-0.1 5,-0.3 0.632 89.8 91.1-106.8 -17.7 42.5 29.9 1.2 73 99 A S H > S+ 0 0 39 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 94.7 33.7 -44.0 -66.9 45.2 27.5 2.7 74 100 A E H X S+ 0 0 121 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.918 120.2 53.5 -61.1 -42.5 44.7 28.0 6.5 75 101 A W H > S+ 0 0 7 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.905 110.5 44.3 -60.3 -45.7 40.9 28.5 6.0 76 102 A W H X S+ 0 0 29 -4,-3.3 4,-2.1 2,-0.2 5,-0.5 0.936 113.7 49.2 -65.9 -48.6 40.3 25.3 4.0 77 103 A L H X>S+ 0 0 47 -4,-2.2 5,-1.9 -5,-0.3 4,-1.2 0.913 116.1 46.3 -55.9 -40.9 42.4 23.2 6.3 78 104 A K H <>S+ 0 0 64 -4,-2.3 5,-2.0 -5,-0.2 -2,-0.2 0.936 118.4 34.4 -70.4 -50.2 40.5 24.7 9.3 79 105 A T H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.765 120.5 46.4 -80.6 -26.9 36.9 24.5 8.2 80 106 A A H <5S- 0 0 22 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.833 135.0 -5.5 -84.9 -32.4 37.0 21.3 6.2 81 107 A Y T ><5S+ 0 0 24 -4,-1.2 3,-1.7 -5,-0.5 81,-0.2 0.710 123.7 53.0-127.1 -64.2 38.9 19.2 8.7 82 108 A L T 3 >S+ 0 0 2 140,-0.4 5,-3.0 138,-0.3 4,-1.8 0.783 83.0 95.7 -72.9 -23.8 37.7 10.8 11.0 89 115 A V T 45S- 0 0 0 1,-0.2 2,-2.2 2,-0.2 195,-0.1 -0.476 107.6 -14.2 -69.0 133.0 36.9 7.2 10.3 90 116 A I T 45S+ 0 0 0 3,-0.4 451,-2.4 193,-0.4 -1,-0.2 -0.072 134.3 65.4 67.8 -39.2 34.4 6.7 7.5 91 117 A Y T 45S- 0 0 46 -2,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.691 123.9 -4.9 -88.6 -18.6 33.5 10.4 7.5 92 118 A S T <5S+ 0 0 13 -4,-1.8 -3,-0.2 1,-0.2 -4,-0.1 0.562 105.9 83.0-139.3 -52.4 36.8 11.9 6.5 93 119 A S S S- 0 0 89 1,-0.1 4,-1.5 204,-0.0 3,-0.4 -0.853 91.7 -95.0-135.3 172.6 51.1 -17.8 4.9 106 132 A L H > S+ 0 0 56 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.880 120.7 54.9 -54.6 -44.5 52.3 -15.5 7.7 107 133 A Q H > S+ 0 0 97 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.886 106.3 52.1 -60.5 -37.0 55.8 -15.3 6.4 108 134 A G H > S+ 0 0 15 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.847 107.6 54.0 -66.2 -32.3 54.5 -14.1 3.0 109 135 A Q H X S+ 0 0 11 -4,-1.5 4,-2.1 -3,-0.2 -2,-0.2 0.900 111.8 42.6 -67.1 -43.4 52.5 -11.4 4.9 110 136 A L H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.855 112.9 54.5 -71.9 -35.6 55.7 -10.2 6.6 111 137 A R H X S+ 0 0 100 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.955 112.4 41.2 -61.3 -53.5 57.7 -10.4 3.4 112 138 A F H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.958 112.8 54.5 -58.3 -54.0 55.3 -8.2 1.4 113 139 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.866 110.3 48.7 -47.6 -40.3 54.8 -5.8 4.3 114 140 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.929 109.1 50.4 -67.9 -47.9 58.6 -5.5 4.3 115 141 A K H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.922 110.6 51.7 -55.2 -46.5 58.8 -4.9 0.5 116 142 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.930 106.6 51.6 -58.3 -49.1 56.2 -2.2 0.8 117 143 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.931 110.9 48.4 -55.5 -46.9 58.0 -0.4 3.7 118 144 A E H X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.864 109.5 55.9 -60.0 -34.9 61.2 -0.3 1.6 119 145 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.942 107.9 45.3 -63.4 -48.7 59.0 1.0 -1.3 120 146 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 111.6 53.5 -62.9 -40.2 57.7 3.9 0.6 121 147 A L H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.842 105.9 52.5 -64.7 -32.3 61.2 4.7 1.9 122 148 A D H X S+ 0 0 55 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.890 111.2 48.0 -67.6 -36.6 62.5 4.8 -1.7 123 149 A F H X S+ 0 0 3 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.855 109.9 53.6 -68.8 -35.7 59.7 7.2 -2.4 124 150 A K H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.868 99.5 59.9 -68.6 -36.2 60.7 9.1 0.7 125 151 A S H X S+ 0 0 41 -4,-2.2 4,-2.6 1,-0.2 6,-0.3 0.899 104.2 52.0 -59.9 -37.6 64.3 9.5 -0.4 126 152 A M H X>S+ 0 0 36 -4,-1.1 5,-1.9 1,-0.2 6,-1.4 0.875 111.3 46.7 -65.2 -37.2 63.1 11.3 -3.5 127 153 A I H <5S+ 0 0 0 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.887 113.3 47.4 -73.6 -39.4 61.1 13.7 -1.3 128 154 A D H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.979 117.3 41.6 -64.2 -54.4 63.9 14.4 1.1 129 155 A N H <5S- 0 0 106 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.621 106.3-127.7 -67.2 -14.8 66.5 15.0 -1.6 130 156 A E T <5S+ 0 0 80 -4,-0.8 -128,-0.4 -5,-0.2 -3,-0.2 0.836 74.2 125.6 67.7 31.6 63.9 17.0 -3.6 131 157 A T < + 0 0 85 -5,-1.9 -4,-0.2 -6,-0.3 -5,-0.1 0.423 27.1 123.5 -98.6 -2.9 64.7 14.8 -6.6 132 158 A L S S- 0 0 18 -6,-1.4 -130,-0.2 1,-0.1 3,-0.1 -0.447 81.4 -96.3 -60.6 119.8 61.1 13.8 -7.1 133 159 A P - 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0 0 62 -2,-0.4 4,-3.0 1,-0.0 5,-0.3 -0.815 44.9-102.1-124.0 165.5 43.5 2.9 34.0 361 387 A P H > S+ 0 0 120 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.823 125.4 47.7 -60.1 -27.7 39.8 2.4 34.7 362 388 A E H > S+ 0 0 95 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.911 110.6 48.4 -79.3 -43.2 39.1 5.6 32.8 363 389 A I H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.928 113.8 50.0 -60.7 -40.2 41.3 4.8 29.8 364 390 A K H X S+ 0 0 58 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.831 107.5 52.9 -67.0 -33.5 39.5 1.4 29.7 365 391 A N H X S+ 0 0 82 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.912 107.6 50.9 -70.7 -38.5 36.1 3.0 29.9 366 392 A D H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.919 108.6 52.8 -63.3 -40.7 36.9 5.3 26.9 367 393 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.910 108.9 48.3 -59.7 -44.9 38.0 2.3 24.9 368 394 A E H X S+ 0 0 63 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.866 112.9 49.7 -63.6 -36.2 34.7 0.4 25.6 369 395 A K H X S+ 0 0 100 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.886 109.9 50.6 -69.7 -37.8 32.9 3.6 24.6 370 396 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.894 108.0 52.2 -67.4 -39.3 35.0 3.8 21.4 371 397 A K H X S+ 0 0 45 -4,-2.6 4,-2.7 1,-0.2 -83,-0.2 0.967 112.4 46.7 -58.3 -51.4 34.2 0.1 20.6 372 398 A Q H X S+ 0 0 125 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.859 113.1 48.1 -58.4 -42.8 30.5 0.9 21.0 373 399 A N H X S+ 0 0 43 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.971 113.8 45.2 -65.1 -52.5 30.7 4.1 18.9 374 400 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.902 108.6 58.4 -57.1 -42.7 32.6 2.5 16.0 375 401 A S H X S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.919 106.4 47.6 -54.8 -46.4 30.3 -0.5 16.1 376 402 A I H X S+ 0 0 113 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.963 111.2 52.9 -59.0 -50.4 27.3 1.8 15.5 377 403 A M H >X S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 4,-1.0 0.927 110.1 45.4 -48.4 -57.6 29.2 3.5 12.7 378 404 A I H >< S+ 0 0 35 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.857 109.2 56.3 -58.1 -39.2 30.0 0.3 10.8 379 405 A Q H 3< S+ 0 0 138 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.727 109.3 47.9 -67.0 -20.8 26.5 -1.0 11.2 380 406 A D H << S+ 0 0 34 -3,-1.2 187,-3.2 -4,-1.2 2,-0.5 0.646 89.8 97.3 -95.2 -14.0 25.2 2.2 9.5 381 407 A L E << -L 566 0E 17 -4,-1.0 2,-0.7 -3,-0.5 185,-0.2 -0.629 54.0-164.6 -82.5 123.9 27.6 2.2 6.6 382 408 A D E +L 565 0E 34 183,-4.2 183,-2.4 -2,-0.5 2,-0.4 -0.911 14.3 177.1-111.2 109.7 26.3 0.7 3.3 383 409 A I E +L 564 0E 21 -2,-0.7 2,-0.4 181,-0.2 181,-0.2 -0.917 14.8 179.0-117.6 138.9 29.0 -0.1 0.8 384 410 A M E -L 563 0E 61 179,-2.7 179,-1.6 -2,-0.4 2,-0.7 -0.966 15.5-154.1-138.0 115.7 28.9 -1.7 -2.7 385 411 A M E -L 562 0E 15 -2,-0.4 2,-0.5 177,-0.2 177,-0.2 -0.835 14.3-163.7 -93.1 115.7 32.1 -2.1 -4.7 386 412 A L E -L 561 0E 22 175,-1.3 175,-3.0 -2,-0.7 2,-0.8 -0.890 12.0-161.7-108.2 125.9 31.3 -2.2 -8.4 387 413 A T E -L 560 0E 63 -2,-0.5 2,-1.3 173,-0.2 173,-0.2 -0.902 12.1-154.9-103.4 105.7 33.8 -3.4 -11.0 388 414 A F E +L 559 0E 0 171,-3.1 171,-2.0 -2,-0.8 3,-0.4 -0.698 21.9 169.5 -84.5 93.4 32.7 -2.1 -14.3 389 415 A H + 0 0 125 -2,-1.3 -1,-0.2 169,-0.2 3,-0.1 0.703 56.8 85.9 -77.6 -21.9 34.2 -4.6 -16.8 390 416 A H S S- 0 0 61 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.794 107.4 -41.6 -49.7 -41.1 32.2 -3.4 -19.8 391 417 A F - 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