==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-05 2BTZ . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.R.KNOECHEL,A.D.TUCKER,C.M.ROBINSON,C.PHILLIPS,W.TAYLOR, . 357 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 1 2 0 0 1 0 0 1 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 1 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 0 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 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 6 A G 0 0 133 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.0 61.9 41.4 101.8 2 7 A S > + 0 0 45 2,-0.1 4,-1.7 1,-0.1 0, 0.0 0.193 360.0 106.2-122.4 18.1 60.4 44.8 100.8 3 8 A A H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.963 81.3 52.1 -61.6 -52.4 58.3 44.1 97.7 4 9 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.868 107.1 55.7 -50.6 -40.0 55.0 44.5 99.6 5 10 A K H > S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.933 108.5 45.3 -59.7 -50.8 56.2 47.8 100.9 6 11 A Y H >X S+ 0 0 71 -4,-1.7 4,-2.6 -3,-0.2 3,-0.6 0.959 111.0 51.9 -58.6 -55.0 56.9 49.2 97.4 7 12 A I H 3X S+ 0 0 12 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.903 110.7 50.2 -48.6 -44.4 53.6 48.0 96.0 8 13 A E H 3< S+ 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.833 114.1 46.4 -65.0 -32.2 51.9 49.7 98.9 9 14 A H H X< S+ 0 0 84 -4,-1.6 3,-1.5 -3,-0.6 -2,-0.2 0.983 117.3 36.4 -74.8 -61.5 53.8 52.9 98.2 10 15 A F H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.3 40,-0.2 0.708 104.9 70.1 -68.1 -19.5 53.4 53.3 94.4 11 16 A S T 3< S+ 0 0 10 -4,-1.7 -1,-0.3 -5,-0.5 -2,-0.1 0.600 87.0 69.1 -73.0 -8.2 49.9 52.0 94.4 12 17 A K T < S+ 0 0 145 -3,-1.5 -1,-0.3 -4,-0.1 2,-0.2 0.622 93.2 73.6 -81.6 -13.5 49.0 55.3 96.2 13 18 A F S < S- 0 0 80 -3,-1.5 37,-0.0 -4,-0.2 -3,-0.0 -0.553 80.2-128.1 -96.6 162.9 49.7 57.1 92.9 14 19 A S - 0 0 75 -2,-0.2 33,-0.1 326,-0.1 326,-0.1 -0.913 28.5-111.3-111.5 136.2 47.7 57.2 89.7 15 20 A P - 0 0 13 0, 0.0 323,-0.1 0, 0.0 29,-0.0 -0.261 30.0-123.9 -60.8 158.5 49.3 56.4 86.4 16 21 A S - 0 0 54 27,-0.0 2,-0.1 2,-0.0 320,-0.1 -0.881 18.9-143.9-111.1 103.6 49.6 59.3 84.0 17 22 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 320,-0.0 -0.415 17.1-147.2 -65.5 134.0 48.0 58.8 80.7 18 23 A L - 0 0 14 -2,-0.1 318,-2.4 3,-0.0 2,-0.1 -0.811 6.2-127.8-107.2 148.1 49.9 60.3 77.8 19 24 A S B > -A 335 0A 17 -2,-0.3 4,-1.8 316,-0.2 316,-0.3 -0.420 27.1-113.8 -83.6 164.4 48.5 61.9 74.6 20 25 A M H > S+ 0 0 0 314,-2.4 4,-1.4 311,-0.8 312,-0.1 0.757 120.8 57.6 -68.9 -23.2 49.8 60.8 71.2 21 26 A K H > S+ 0 0 105 310,-0.6 4,-1.6 313,-0.3 -1,-0.2 0.912 103.6 50.4 -72.6 -43.3 51.1 64.4 71.0 22 27 A Q H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.892 105.9 56.1 -62.1 -40.0 53.2 63.9 74.2 23 28 A F H X S+ 0 0 10 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.926 105.0 52.4 -58.1 -44.5 54.7 60.7 72.8 24 29 A L H X S+ 0 0 38 -4,-1.4 4,-4.3 2,-0.2 -1,-0.2 0.894 110.5 50.5 -57.2 -40.6 55.9 62.6 69.8 25 30 A D H < S+ 0 0 86 -4,-1.6 6,-0.2 2,-0.2 -2,-0.2 0.993 110.3 43.6 -59.9 -69.7 57.5 65.2 72.1 26 31 A F H < S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.657 123.4 44.1 -53.6 -13.8 59.5 62.9 74.4 27 32 A G H < S+ 0 0 3 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.856 79.9 131.6 -96.5 -47.8 60.4 61.1 71.2 28 33 A S S < S- 0 0 64 -4,-4.3 -2,-0.1 -5,-0.2 -3,-0.1 0.101 80.0 -83.9 31.8-131.1 61.2 64.1 69.0 29 34 A S S S+ 0 0 107 -4,-0.1 -1,-0.2 139,-0.1 -4,-0.0 0.438 119.3 13.4-136.6 -26.3 64.6 63.5 67.2 30 35 A N S S+ 0 0 141 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.557 79.0 140.0-127.9 -23.1 67.0 64.7 69.9 31 36 A A - 0 0 36 -6,-0.2 5,-0.1 1,-0.1 0, 0.0 0.027 63.3-108.4 -31.3 113.5 64.9 65.0 73.1 32 37 A C >> - 0 0 53 1,-0.2 3,-1.1 3,-0.0 4,-0.9 -0.202 9.7-134.9 -56.7 135.8 67.3 63.6 75.8 33 38 A E H 3> S+ 0 0 49 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.576 97.0 83.9 -66.0 -8.0 66.6 60.2 77.2 34 39 A K H 3> S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.937 90.7 45.2 -60.8 -47.5 67.4 61.9 80.5 35 40 A T H <> S+ 0 0 70 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.926 113.5 51.1 -61.8 -44.9 63.9 63.2 80.8 36 41 A S H X S+ 0 0 15 -4,-0.9 4,-3.8 1,-0.2 5,-0.3 0.932 110.0 49.6 -57.2 -49.4 62.6 59.8 79.8 37 42 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.926 112.1 46.2 -56.2 -51.0 64.7 58.0 82.4 38 43 A T H < S+ 0 0 63 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.876 119.2 43.1 -61.9 -37.7 63.6 60.3 85.2 39 44 A F H >X S+ 0 0 48 -4,-2.4 4,-2.5 -5,-0.2 3,-1.8 0.980 115.5 45.1 -71.1 -59.3 59.9 59.9 84.1 40 45 A L H 3X S+ 0 0 5 -4,-3.8 4,-1.6 1,-0.3 -2,-0.2 0.798 102.2 69.2 -55.0 -31.7 59.9 56.2 83.4 41 46 A R H 3< S+ 0 0 45 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.794 114.8 25.8 -58.8 -30.3 61.8 55.6 86.7 42 47 A Q H <> S+ 0 0 66 -3,-1.8 4,-1.9 -4,-0.5 -2,-0.2 0.850 120.2 53.1 -99.8 -49.1 58.6 56.7 88.6 43 48 A E H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.928 105.4 53.0 -55.4 -54.2 55.7 55.9 86.1 44 49 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.904 110.1 48.2 -51.6 -46.3 56.6 52.2 85.5 45 50 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 111.5 52.2 -63.3 -36.6 56.7 51.5 89.2 46 51 A V H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.907 111.4 45.4 -63.9 -42.8 53.3 53.3 89.6 47 52 A R H X S+ 0 0 7 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.916 114.1 47.9 -69.6 -40.6 51.8 51.2 86.8 48 53 A L H X S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.930 111.9 50.2 -63.8 -46.4 53.1 47.9 88.1 49 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.894 107.7 53.2 -59.3 -46.3 52.0 48.6 91.6 50 55 A N H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.941 114.0 40.6 -57.2 -50.3 48.5 49.5 90.6 51 56 A I H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.886 116.4 50.5 -68.4 -36.5 47.9 46.3 88.7 52 57 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.884 107.8 53.2 -68.3 -37.2 49.7 44.2 91.4 53 58 A K H < S+ 0 0 40 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.905 110.7 47.8 -63.8 -40.3 47.6 45.7 94.1 54 59 A E H >< S+ 0 0 5 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.881 109.9 52.6 -68.2 -39.0 44.5 44.8 92.1 55 60 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.980 104.4 54.2 -59.9 -56.9 45.8 41.2 91.6 56 61 A N T 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.593 101.4 67.4 -55.2 -8.7 46.4 40.6 95.3 57 62 A L T < S+ 0 0 65 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 -0.163 84.1 82.8-109.6 42.0 42.8 41.6 95.9 58 63 A L S < S- 0 0 17 -3,-0.9 5,-0.2 1,-0.2 -3,-0.0 -0.942 93.0 -50.3-137.2 158.0 40.9 38.8 94.2 59 64 A P >> - 0 0 59 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.202 49.9-122.6 -28.1 136.4 39.9 35.2 95.4 60 65 A D H 3> S+ 0 0 125 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.706 109.4 58.4 -60.2 -24.9 42.7 33.1 96.9 61 66 A R H 3> S+ 0 0 87 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.875 105.8 48.3 -74.2 -36.0 42.2 30.3 94.4 62 67 A V H <4 S+ 0 0 33 -3,-0.6 6,-0.3 2,-0.2 7,-0.2 0.835 117.8 43.8 -70.3 -30.9 42.9 32.7 91.6 63 68 A L H < S+ 0 0 30 -4,-1.5 6,-0.3 -5,-0.2 -2,-0.2 0.901 112.1 50.8 -77.9 -44.3 45.9 33.8 93.5 64 69 A S H < S+ 0 0 80 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.620 86.1 109.5 -69.9 -15.3 47.1 30.4 94.6 65 70 A T S X S- 0 0 22 -4,-1.1 4,-1.9 1,-0.1 5,-0.4 -0.306 79.4-122.3 -61.7 146.3 46.9 29.1 91.0 66 71 A P H > S+ 0 0 90 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.856 106.6 49.6 -59.0 -36.8 50.4 28.5 89.4 67 72 A S H > S+ 0 0 1 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.992 114.0 38.2 -67.5 -65.7 49.7 30.9 86.6 68 73 A V H > S+ 0 0 6 -6,-0.3 4,-2.8 1,-0.3 5,-0.2 0.916 121.4 45.4 -53.4 -49.1 48.5 34.1 88.3 69 74 A Q H X S+ 0 0 115 -4,-1.9 4,-1.8 -6,-0.3 -1,-0.3 0.861 113.8 54.3 -63.5 -33.3 50.9 33.6 91.2 70 75 A L H X S+ 0 0 71 -4,-1.1 4,-0.9 -5,-0.4 -2,-0.2 0.950 112.3 38.5 -66.8 -51.8 53.5 32.9 88.6 71 76 A V H >X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 3,-0.7 0.889 112.4 59.8 -67.4 -35.1 53.0 36.1 86.5 72 77 A Q H 3X S+ 0 0 18 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.904 103.7 51.3 -56.1 -40.5 52.6 37.9 89.8 73 78 A S H 3X S+ 0 0 57 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.768 106.1 55.2 -69.1 -24.0 56.1 36.8 90.7 74 79 A W H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.8 0.968 112.3 42.0 -57.1 -53.2 59.3 46.1 90.1 80 85 A L H 3X S+ 0 0 57 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.927 105.5 64.6 -58.1 -48.8 62.6 45.6 92.0 81 86 A D H 3< S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.4 38.4 -44.6 -36.4 64.5 45.6 88.8 82 87 A I H X< S+ 0 0 5 -4,-1.4 3,-2.5 -3,-0.8 4,-0.3 0.823 99.5 70.7 -89.1 -34.6 63.5 49.3 88.4 83 88 A M H >< S+ 0 0 17 -4,-1.8 3,-2.9 1,-0.3 4,-0.4 0.886 83.8 78.4 -46.7 -41.5 63.7 50.5 92.0 84 89 A E T 3< S+ 0 0 129 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.601 92.7 49.3 -43.5 -18.8 67.5 50.1 91.5 85 90 A F T X S+ 0 0 12 -3,-2.5 3,-1.8 1,-0.1 -1,-0.3 0.532 80.3 91.8-104.6 -7.8 67.5 53.4 89.6 86 91 A L T < S+ 0 0 58 -3,-2.9 -2,-0.1 -4,-0.3 -1,-0.1 0.835 97.1 37.9 -55.4 -35.7 65.6 55.7 92.0 87 92 A D T 3 S+ 0 0 149 -4,-0.4 2,-0.3 -3,-0.1 -1,-0.3 -0.165 99.7 100.8-109.3 36.8 68.8 56.8 93.7 88 93 A K < - 0 0 83 -3,-1.8 -3,-0.1 7,-0.0 0, 0.0 -0.815 61.8-137.2-116.1 158.2 70.9 56.9 90.5 89 94 A D > - 0 0 109 -2,-0.3 3,-0.6 1,-0.2 6,-0.2 -0.938 6.8-132.9-123.8 143.3 71.8 60.0 88.6 90 95 A P T 3 S+ 0 0 24 0, 0.0 2,-3.5 0, 0.0 -1,-0.2 0.438 81.8 76.5 -62.5-145.5 72.0 60.8 84.8 91 96 A E T 3 S+ 0 0 161 1,-0.1 2,-1.1 2,-0.1 -57,-0.0 -0.100 74.9 100.7 67.4 -45.4 75.0 62.5 83.3 92 97 A D S X> S- 0 0 65 -2,-3.5 4,-1.3 -3,-0.6 3,-0.7 -0.610 71.3-150.6 -74.0 100.9 76.7 59.1 83.7 93 98 A H T 34 S+ 0 0 172 -2,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.431 96.8 54.0 -53.8 4.8 76.4 57.8 80.1 94 99 A R T 3> S+ 0 0 179 2,-0.1 4,-2.7 3,-0.1 5,-0.3 0.784 93.3 62.0-106.1 -47.8 76.3 54.4 81.8 95 100 A T T <4 S+ 0 0 11 -3,-0.7 4,-0.4 1,-0.2 -2,-0.2 0.876 111.4 43.4 -46.9 -43.1 73.4 54.9 84.3 96 101 A L T >X S+ 0 0 15 -4,-1.3 4,-1.5 2,-0.2 3,-1.4 0.942 110.5 54.4 -69.2 -49.9 71.1 55.4 81.3 97 102 A S H 3> S+ 0 0 60 -4,-0.3 4,-2.0 1,-0.3 3,-0.2 0.908 107.1 49.4 -52.2 -49.6 72.6 52.6 79.3 98 103 A Q H 3X S+ 0 0 100 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.651 104.0 63.8 -67.4 -13.0 72.1 49.9 82.0 99 104 A F H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.941 104.3 43.5 -73.7 -50.1 68.5 51.2 82.3 100 105 A T H X S+ 0 0 21 -4,-1.5 4,-3.8 1,-0.2 5,-0.4 0.946 111.1 54.9 -59.4 -49.0 67.6 50.2 78.7 101 106 A D H X S+ 0 0 95 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.858 110.3 48.2 -51.9 -35.7 69.4 46.9 79.3 102 107 A A H X S+ 0 0 16 -4,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.880 112.4 47.3 -72.8 -39.4 67.1 46.5 82.3 103 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.959 111.9 48.9 -66.4 -51.0 64.0 47.4 80.2 104 109 A V H X S+ 0 0 47 -4,-3.8 4,-1.8 1,-0.2 -1,-0.2 0.903 112.3 50.5 -54.6 -41.5 64.9 45.1 77.4 105 110 A T H X S+ 0 0 68 -4,-1.7 4,-1.6 -5,-0.4 -1,-0.2 0.902 108.5 51.0 -64.2 -41.3 65.4 42.4 80.1 106 111 A I H X S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.851 106.7 56.7 -64.4 -33.7 62.0 43.1 81.7 107 112 A R H >X S+ 0 0 64 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.936 107.1 45.1 -63.8 -49.7 60.4 42.8 78.3 108 113 A N H >< S+ 0 0 84 -4,-1.8 3,-0.6 1,-0.2 4,-0.2 0.848 107.0 60.8 -64.1 -34.9 61.6 39.3 77.5 109 114 A R H 3< S+ 0 0 61 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.833 112.3 38.2 -61.5 -31.5 60.7 38.2 81.0 110 115 A H H X< S+ 0 0 14 -4,-1.1 3,-2.5 -3,-0.6 4,-0.3 0.462 81.3 110.8 -98.5 -4.0 57.1 39.1 80.3 111 116 A N T << S+ 0 0 79 -4,-0.7 -1,-0.2 -3,-0.6 3,-0.1 0.627 84.0 42.1 -46.3 -18.6 57.0 37.9 76.6 112 117 A D T 3> S+ 0 0 94 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.3 0.100 74.5 113.1-121.1 25.5 54.7 35.0 77.6 113 118 A V H <> S+ 0 0 0 -3,-2.5 4,-3.4 2,-0.2 5,-0.3 0.895 78.0 52.7 -63.0 -39.7 52.2 36.7 80.0 114 119 A V H > S+ 0 0 37 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.981 111.4 42.1 -63.2 -58.5 49.3 36.2 77.6 115 120 A P H > S+ 0 0 80 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.929 119.2 48.0 -54.4 -43.1 49.6 32.5 76.9 116 121 A T H >X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 3,-0.8 0.954 112.5 44.8 -63.1 -53.2 50.3 32.0 80.7 117 122 A M H 3X S+ 0 0 8 -4,-3.4 4,-1.4 1,-0.3 3,-0.3 0.887 110.9 57.1 -59.0 -35.5 47.4 34.1 81.9 118 123 A A H 3X S+ 0 0 25 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.3 0.818 101.7 57.1 -63.5 -29.4 45.4 32.3 79.3 119 124 A Q H S+ 0 0 27 -4,-2.7 4,-3.5 2,-0.2 5,-1.1 0.922 107.0 53.5 -61.8 -44.7 39.8 28.0 86.4 125 130 A K H X5S+ 0 0 38 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.933 115.1 40.1 -55.1 -47.7 37.2 26.5 84.1 126 131 A D H <5S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 121.2 44.5 -73.0 -29.2 38.1 23.0 85.0 127 132 A T H <5S+ 0 0 90 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.865 134.4 6.1 -84.7 -38.9 38.5 23.8 88.7 128 133 A Y H <5S- 0 0 119 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.1 0.588 100.5-115.8-122.5 -15.8 35.5 26.0 89.4 129 134 A G << - 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G 0 316D 2 -4,-1.4 -4,-2.8 -47,-0.4 2,-0.3 -0.975 35.2 -95.9-176.7-169.3 27.8 37.8 56.5 321 346 A T E -FG 270 315D 22 -51,-0.8 -51,-2.3 -2,-0.3 2,-0.5 -0.988 12.0-153.1-139.7 141.3 29.6 40.0 59.0 322 347 A D E -FG 269 314D 42 -8,-2.3 -8,-1.9 -2,-0.3 2,-0.4 -0.951 12.8-170.1-110.7 130.0 30.8 43.6 59.3 323 348 A A E -FG 268 313D 4 -55,-2.4 -55,-3.5 -2,-0.5 2,-0.4 -0.980 8.2-166.8-118.7 133.1 33.7 44.3 61.7 324 349 A V E -FG 267 312D 5 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.5 -0.982 13.5-160.0-128.2 133.3 34.5 47.9 62.4 325 350 A I E -FG 266 311D 1 -59,-2.6 -59,-2.2 -2,-0.4 2,-0.5 -0.944 11.9-160.6-108.5 121.6 37.6 49.5 64.0 326 351 A Y E +FG 265 310D 75 -16,-2.5 -16,-2.1 -2,-0.5 2,-0.3 -0.926 15.9 172.6-105.2 121.7 37.0 53.0 65.4 327 352 A L E -F 264 0D 4 -63,-2.2 -63,-2.2 -2,-0.5 2,-0.4 -0.855 39.7-100.6-122.1 157.9 40.2 55.2 65.9 328 353 A K E -F 263 0D 52 -21,-0.4 -65,-0.2 -2,-0.3 -19,-0.1 -0.681 25.0-151.0 -80.8 130.2 40.5 58.9 66.9 329 354 A A S S+ 0 0 17 -67,-2.8 2,-0.4 -2,-0.4 -110,-0.4 0.854 75.8 64.7 -67.8 -36.0 41.3 60.9 63.8 330 355 A L S >> S- 0 0 84 -68,-0.5 3,-1.0 1,-0.1 4,-0.7 -0.762 73.9-139.7 -99.6 134.9 43.2 63.6 65.7 331 356 A S T 34 S+ 0 0 36 -2,-0.4 -311,-0.8 1,-0.3 -310,-0.6 0.753 104.0 66.7 -56.5 -23.1 46.5 63.1 67.6 332 357 A T T 34 S+ 0 0 98 1,-0.2 -1,-0.3 -312,-0.1 -311,-0.1 0.889 102.9 40.4 -65.7 -43.9 44.9 65.5 70.1 333 358 A D T <4 S+ 0 0 60 -3,-1.0 2,-1.3 1,-0.1 -1,-0.2 0.480 90.5 101.2 -86.4 -3.0 42.1 63.0 71.2 334 359 A S < + 0 0 1 -4,-0.7 -314,-2.4 -3,-0.3 2,-0.4 -0.687 49.8 151.0 -87.2 93.0 44.5 60.0 71.1 335 360 A V B -A 19 0A 41 -2,-1.3 -316,-0.2 -316,-0.3 -27,-0.1 -0.974 51.4 -92.0-128.8 139.3 45.2 59.5 74.8 336 361 A E - 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0 0 155 -2,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.504 20.3-172.4-131.6 54.4 27.2 38.0 94.6 353 378 A Q + 0 0 62 1,-0.0 3,-0.1 3,-0.0 -220,-0.1 -0.194 27.4 136.5 -58.3 144.6 24.8 37.0 91.8 354 379 A E + 0 0 90 1,-0.1 -1,-0.0 0, 0.0 -2,-0.0 -0.131 68.8 8.8 170.3 78.7 21.9 34.8 92.5 355 380 A A S S- 0 0 102 4,-0.0 -1,-0.1 3,-0.0 4,-0.1 0.718 76.6-128.7 102.7 99.4 18.5 35.8 90.9 356 381 A G - 0 0 68 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.048 17.2-114.6 -70.2 175.0 18.3 38.6 88.3 357 382 A D S S+ 0 0 143 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.413 99.9 60.8 -87.8 -2.5 16.2 41.8 87.8 358 383 A W 0 0 223 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.898 360.0 360.0-123.3 152.9 14.5 40.3 84.7 359 384 A C 0 0 183 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.008 360.0 360.0-131.5 360.0 12.4 37.2 84.5