==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-04 1Y8P . COMPND 2 MOLECULE: [PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZY . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KATO,J.L.CHUANG,R.M.WYNN,D.T.CHUANG . 478 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 13.6 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 37 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 1 0 2 0 1 0 0 0 1 0 1 1 0 1 0 0 2 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 2 1 2 2 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 . 2 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 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 12 A V >> 0 0 100 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 29.6 -60.6 -17.3 91.3 2 13 A P H 3> + 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.766 360.0 64.7 -80.9 -20.5 -60.2 -17.2 87.4 3 14 A K H 3> S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 99.4 54.4 -63.2 -36.2 -63.7 -18.6 86.7 4 15 A Q H <> S+ 0 0 73 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.861 109.3 48.8 -64.8 -34.1 -65.2 -15.5 88.2 5 16 A I H X S+ 0 0 17 -4,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.953 110.0 50.0 -71.5 -47.5 -63.0 -13.5 85.8 6 17 A E H X S+ 0 0 71 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.947 114.2 45.9 -49.9 -51.3 -64.1 -15.5 82.8 7 18 A R H >X S+ 0 0 128 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.945 115.6 42.1 -63.2 -54.6 -67.7 -15.1 83.7 8 19 A Y H >< S+ 0 0 8 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.885 108.9 60.2 -63.5 -35.0 -67.8 -11.4 84.4 9 20 A S H 3< S+ 0 0 0 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.794 103.3 53.9 -62.9 -23.4 -65.6 -10.8 81.4 10 21 A R H << S+ 0 0 146 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.614 89.7 93.0 -85.1 -15.7 -68.4 -12.3 79.4 11 22 A F S << S- 0 0 11 -3,-1.2 386,-0.3 -4,-0.7 342,-0.2 -0.497 81.7-118.2 -69.8 146.8 -71.0 -10.0 80.8 12 23 A S - 0 0 16 384,-2.6 33,-0.1 -2,-0.1 340,-0.1 -0.713 26.0-114.7 -85.3 137.0 -71.7 -6.8 78.7 13 24 A P - 0 0 5 0, 0.0 337,-0.1 0, 0.0 -1,-0.1 -0.363 23.5-127.6 -58.6 153.5 -71.0 -3.4 80.3 14 25 A S - 0 0 4 27,-0.1 2,-0.2 416,-0.1 416,-0.1 -0.847 22.3-149.0-109.5 95.7 -74.0 -1.2 80.9 15 26 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 332,-0.0 -0.446 12.2-155.2 -70.9 134.9 -73.3 2.2 79.3 16 27 A L - 0 0 16 -2,-0.2 332,-2.6 330,-0.0 2,-0.3 -0.835 6.7-132.4-108.4 147.6 -75.0 5.2 81.0 17 28 A S B > -A 347 0A 3 -2,-0.3 4,-2.3 330,-0.3 330,-0.3 -0.672 23.8-117.7 -94.9 153.1 -76.0 8.6 79.6 18 29 A I H > S+ 0 0 0 328,-2.1 4,-2.9 325,-0.4 5,-0.2 0.916 118.0 59.4 -51.4 -45.3 -75.3 11.9 81.2 19 30 A K H > S+ 0 0 92 324,-1.4 4,-4.0 1,-0.2 5,-0.3 0.924 105.1 48.2 -45.8 -52.5 -79.1 12.3 81.4 20 31 A Q H > S+ 0 0 80 323,-0.2 4,-3.3 2,-0.2 5,-0.3 0.931 111.5 48.7 -60.4 -46.8 -79.3 9.1 83.5 21 32 A F H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 117.2 43.3 -55.0 -45.8 -76.6 10.3 85.9 22 33 A L H X S+ 0 0 7 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.931 115.3 46.7 -68.5 -48.2 -78.3 13.6 86.2 23 34 A D H X>S+ 0 0 52 -4,-4.0 5,-1.5 -5,-0.2 4,-1.1 0.904 114.4 49.1 -63.7 -40.5 -81.8 12.2 86.5 24 35 A F H <>S+ 0 0 51 -4,-3.3 5,-1.9 -5,-0.3 4,-0.4 0.966 116.7 41.2 -59.9 -51.3 -80.6 9.7 89.1 25 36 A G H <5S+ 0 0 9 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.892 123.5 36.0 -65.1 -42.6 -78.8 12.3 91.1 26 37 A R H <5S+ 0 0 129 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.992 130.6 20.9 -74.5 -66.9 -81.4 15.1 91.0 27 38 A D T <5S+ 0 0 115 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.875 135.7 21.0 -81.0 -41.8 -84.8 13.4 91.1 28 39 A N T < + 0 0 89 -5,-1.5 -3,-0.2 -4,-0.4 -4,-0.1 0.879 58.1 168.0 -89.4 -88.0 -84.0 10.0 92.6 29 40 A A < + 0 0 45 -5,-1.9 2,-0.7 1,-0.2 -4,-0.1 0.951 18.5 165.3 64.5 54.3 -80.8 9.7 94.7 30 41 A C > - 0 0 35 1,-0.2 4,-1.7 -6,-0.1 3,-0.2 -0.906 28.5-157.3-101.3 113.4 -81.5 6.3 96.2 31 42 A E H > S+ 0 0 58 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.883 91.5 57.1 -58.2 -42.2 -78.4 4.9 97.8 32 43 A K H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 106.1 49.9 -51.9 -50.8 -79.8 1.3 97.6 33 44 A T H > S+ 0 0 73 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.906 110.8 49.0 -57.9 -45.7 -80.3 1.6 93.8 34 45 A S H X S+ 0 0 14 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.902 111.7 50.0 -62.2 -42.9 -76.8 2.9 93.2 35 46 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.895 107.6 52.4 -62.9 -43.2 -75.4 0.1 95.3 36 47 A M H < S+ 0 0 86 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.825 115.9 43.1 -62.6 -32.0 -77.3 -2.6 93.4 37 48 A F H >X S+ 0 0 50 -4,-1.6 4,-2.8 -5,-0.2 3,-0.8 0.962 116.2 42.7 -78.3 -54.7 -76.0 -1.3 90.2 38 49 A L H 3X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.835 102.6 63.8 -64.5 -39.9 -72.3 -0.7 91.1 39 50 A R H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 -5,-0.2 44,-0.2 0.791 119.1 30.4 -61.5 -21.9 -71.6 -3.9 93.0 40 51 A K H <> S+ 0 0 47 -3,-0.8 4,-1.6 -4,-0.3 -2,-0.2 0.839 118.6 51.9 -99.6 -40.8 -72.3 -5.6 89.8 41 52 A E H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.870 104.4 55.7 -69.0 -39.7 -71.2 -3.1 87.2 42 53 A L H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.959 108.8 46.0 -62.2 -51.1 -67.7 -2.4 88.6 43 54 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.852 111.6 53.9 -57.2 -36.5 -66.7 -6.1 88.5 44 55 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.976 112.3 43.0 -62.0 -51.3 -68.1 -6.5 85.0 45 56 A R H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.951 115.0 49.2 -62.5 -50.0 -66.0 -3.5 83.7 46 57 A L H X S+ 0 0 5 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.891 111.5 49.5 -48.9 -48.3 -62.9 -4.6 85.6 47 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.879 105.8 56.8 -67.7 -35.3 -63.2 -8.2 84.3 48 59 A N H X S+ 0 0 1 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.955 112.1 42.5 -59.9 -45.1 -63.6 -7.0 80.7 49 60 A T H >X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.937 110.6 53.8 -65.2 -48.8 -60.3 -5.1 81.0 50 61 A M H 3X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.859 103.1 57.9 -54.4 -38.8 -58.3 -7.9 82.8 51 62 A R H 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.906 109.8 45.5 -58.4 -40.6 -59.3 -10.3 80.1 52 63 A E H X< S+ 0 0 4 -4,-1.1 3,-2.0 -3,-0.5 -2,-0.2 0.894 106.4 55.8 -72.0 -40.2 -57.6 -7.9 77.6 53 64 A V H >< S+ 0 0 5 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.908 101.8 61.1 -63.3 -33.1 -54.5 -7.3 79.6 54 65 A N T 3< S+ 0 0 98 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.605 97.3 58.8 -61.8 -14.2 -54.0 -11.0 79.6 55 66 A L T < S+ 0 0 32 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.330 79.5 114.9 -97.1 1.2 -53.8 -11.0 75.8 56 67 A L S < S- 0 0 6 -3,-1.7 5,-0.1 -4,-0.2 305,-0.0 -0.384 84.7 -79.7 -68.5 151.9 -50.8 -8.7 75.7 57 68 A P >> - 0 0 28 0, 0.0 4,-2.4 0, 0.0 3,-1.6 -0.189 43.7-117.6 -49.9 145.0 -47.5 -10.0 74.3 58 69 A D H 3> S+ 0 0 124 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.859 112.2 61.7 -62.6 -34.0 -45.7 -12.1 77.0 59 70 A N H 34 S+ 0 0 74 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.729 110.6 39.7 -65.7 -20.2 -42.8 -9.7 77.1 60 71 A L H X4 S+ 0 0 1 -3,-1.6 3,-2.1 2,-0.2 6,-0.3 0.871 111.8 54.8 -89.1 -49.5 -45.0 -6.8 78.1 61 72 A L H 3< S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.811 103.5 62.6 -45.3 -33.8 -47.1 -9.0 80.5 62 73 A N T 3< S+ 0 0 103 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.610 75.3 107.3 -70.7 -16.9 -43.7 -9.8 82.1 63 74 A R S X> S- 0 0 30 -3,-2.1 4,-1.8 1,-0.1 3,-0.8 -0.473 77.2-125.8 -69.9 134.7 -42.8 -6.3 83.2 64 75 A P H 3> S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.888 109.7 56.7 -36.6 -49.2 -43.0 -5.9 87.0 65 76 A S H 3> S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.845 104.2 49.3 -60.5 -39.9 -45.3 -2.8 86.4 66 77 A V H <> S+ 0 0 1 -3,-0.8 4,-2.6 -6,-0.3 -1,-0.2 0.914 110.0 53.0 -67.9 -39.6 -47.9 -4.8 84.3 67 78 A G H X S+ 0 0 29 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.919 107.1 52.2 -55.9 -47.0 -48.0 -7.4 87.1 68 79 A L H X S+ 0 0 83 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.936 108.7 49.2 -57.2 -49.5 -48.7 -4.7 89.7 69 80 A V H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.953 111.2 51.2 -55.6 -50.8 -51.6 -3.3 87.7 70 81 A Q H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.932 110.7 46.7 -51.8 -50.8 -53.0 -6.8 87.3 71 82 A S H X S+ 0 0 62 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.926 110.8 52.8 -64.0 -39.8 -52.8 -7.5 91.0 72 83 A W H X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.941 111.9 45.2 -54.9 -50.6 -54.4 -4.2 91.9 73 84 A Y H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.883 113.5 51.1 -60.4 -38.1 -57.3 -4.9 89.5 74 85 A M H X S+ 0 0 61 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.912 109.3 49.4 -69.6 -42.4 -57.6 -8.4 90.9 75 86 A Q H X S+ 0 0 95 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.903 113.2 47.3 -62.6 -40.4 -57.7 -7.1 94.5 76 87 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.953 111.2 50.9 -65.0 -51.8 -60.4 -4.6 93.6 77 88 A F H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.5 0.930 111.4 47.4 -49.1 -52.2 -62.5 -7.1 91.8 78 89 A L H 3X S+ 0 0 64 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.864 109.9 54.4 -62.4 -33.4 -62.3 -9.5 94.7 79 90 A E H 3< S+ 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.790 110.3 44.7 -72.8 -29.1 -63.2 -6.7 97.1 80 91 A L H X< S+ 0 0 1 -4,-1.8 3,-2.1 -3,-0.5 4,-0.3 0.861 103.3 64.3 -80.6 -38.0 -66.4 -5.8 95.2 81 92 A L H >< S+ 0 0 27 -4,-2.3 3,-1.2 1,-0.3 4,-0.2 0.730 84.9 75.7 -58.6 -23.2 -67.5 -9.4 94.7 82 93 A E T 3< S+ 0 0 125 -4,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.597 93.4 54.7 -61.0 -9.4 -67.9 -9.7 98.5 83 94 A Y T X S+ 0 0 21 -3,-2.1 3,-2.5 -44,-0.2 -1,-0.2 0.573 73.3 99.3-104.4 -11.2 -71.1 -7.6 98.2 84 95 A E T < S+ 0 0 37 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.713 98.6 28.7 -51.6 -26.9 -72.9 -9.8 95.6 85 96 A N T 3 S+ 0 0 142 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.004 94.2 112.8-124.1 24.8 -75.0 -11.4 98.3 86 97 A K < - 0 0 84 -3,-2.5 -3,-0.0 7,-0.0 -4,-0.0 -0.851 69.0-117.3-100.7 137.5 -75.1 -8.6 100.9 87 98 A S > - 0 0 59 -2,-0.4 3,-0.8 1,-0.1 6,-0.2 -0.559 7.6-151.7 -78.9 132.2 -78.4 -7.0 101.6 88 99 A P T 3 S+ 0 0 14 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.587 91.8 78.3 -67.6 -14.1 -78.8 -3.3 100.8 89 100 A E T 3 S+ 0 0 128 4,-0.0 3,-0.0 -57,-0.0 -57,-0.0 0.798 79.4 76.4 -68.6 -29.5 -81.4 -3.3 103.6 90 101 A D S <> S- 0 0 75 -3,-0.8 4,-1.2 1,-0.1 3,-0.1 -0.751 74.3-151.6 -81.6 125.6 -78.7 -3.2 106.2 91 102 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.774 92.2 64.7 -63.7 -32.3 -77.2 0.3 106.5 92 103 A Q H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.919 99.1 52.5 -56.7 -50.0 -73.7 -1.1 107.5 93 104 A V H > S+ 0 0 14 -6,-0.2 4,-2.7 1,-0.2 5,-0.3 0.971 109.3 49.2 -47.3 -63.0 -73.3 -2.8 104.1 94 105 A L H X S+ 0 0 17 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.866 113.0 48.6 -43.1 -48.1 -74.0 0.5 102.3 95 106 A D H X S+ 0 0 74 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.934 113.0 43.6 -64.3 -52.9 -71.5 2.3 104.5 96 107 A N H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.831 109.3 59.2 -62.0 -34.6 -68.6 -0.2 104.2 97 108 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.888 103.9 51.6 -60.4 -40.2 -69.3 -0.4 100.4 98 109 A L H X S+ 0 0 15 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.934 109.5 49.0 -62.6 -45.5 -68.7 3.4 100.3 99 110 A Q H X S+ 0 0 95 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.882 109.3 53.8 -59.2 -40.8 -65.4 2.9 102.1 100 111 A V H X S+ 0 0 21 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.933 105.8 51.6 -62.4 -46.7 -64.5 0.1 99.7 101 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 111.2 48.2 -53.2 -46.5 -65.1 2.5 96.7 102 113 A I H X S+ 0 0 50 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.938 111.7 51.5 -59.2 -47.5 -62.8 5.0 98.3 103 114 A K H X S+ 0 0 110 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.921 110.2 46.6 -55.5 -47.8 -60.2 2.3 98.8 104 115 A V H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.935 110.5 53.1 -70.7 -39.1 -60.3 1.1 95.3 105 116 A R H < S+ 0 0 48 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.915 109.6 47.8 -56.4 -47.9 -60.0 4.5 93.8 106 117 A N H >< S+ 0 0 90 -4,-2.4 3,-1.6 1,-0.2 4,-0.4 0.905 111.9 50.3 -58.3 -45.5 -56.9 5.3 96.0 107 118 A R H >< S+ 0 0 39 -4,-2.2 3,-0.5 1,-0.3 4,-0.3 0.838 109.4 52.7 -58.6 -35.6 -55.4 2.0 94.9 108 119 A H T 3< S+ 0 0 2 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.3 0.266 84.5 92.0 -87.2 12.3 -56.2 3.0 91.3 109 120 A N T < S+ 0 0 88 -3,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.910 90.1 40.5 -69.4 -45.1 -54.4 6.4 91.7 110 121 A D S <> S+ 0 0 94 -3,-0.5 4,-2.9 -4,-0.4 5,-0.3 0.636 89.2 97.0 -77.0 -18.7 -51.1 5.1 90.4 111 122 A V H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.821 78.9 52.1 -47.1 -50.1 -52.5 3.0 87.6 112 123 A V H > S+ 0 0 57 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.966 117.4 37.0 -54.3 -61.5 -52.1 5.5 84.7 113 124 A P H > S+ 0 0 81 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.906 114.7 56.7 -59.6 -38.6 -48.3 6.1 85.4 114 125 A T H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.911 110.5 43.6 -59.6 -41.5 -47.6 2.5 86.4 115 126 A M H X S+ 0 0 2 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.899 111.8 54.2 -70.9 -37.6 -49.0 1.2 83.1 116 127 A A H X S+ 0 0 13 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.979 109.6 46.0 -57.2 -53.5 -47.1 4.0 81.3 117 128 A Q H X S+ 0 0 100 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.941 109.8 60.5 -54.1 -45.8 -43.8 2.9 82.9 118 129 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.934 112.0 33.1 -39.8 -68.0 -44.9 -0.6 81.9 119 130 A V H X S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.802 117.8 53.9 -72.0 -26.5 -45.0 0.1 78.2 120 131 A I H X S+ 0 0 51 -4,-3.1 4,-2.7 -5,-0.2 5,-0.3 0.970 107.9 51.0 -65.5 -51.7 -42.1 2.5 78.2 121 132 A E H X S+ 0 0 48 -4,-3.4 4,-1.3 -5,-0.2 -2,-0.2 0.871 116.3 43.8 -44.9 -46.3 -39.9 -0.1 80.0 122 133 A Y H X S+ 0 0 10 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.888 110.0 51.4 -70.7 -48.9 -41.0 -2.5 77.2 123 134 A K H < S+ 0 0 79 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 117.8 39.5 -59.8 -42.5 -40.7 -0.2 74.2 124 135 A E H < S+ 0 0 119 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.765 121.0 42.3 -80.9 -24.2 -37.1 0.7 75.1 125 136 A K H < S+ 0 0 131 -4,-1.3 2,-0.4 -5,-0.3 -2,-0.2 0.798 115.6 45.0 -94.8 -32.9 -36.0 -2.7 76.3 126 137 A F S < S- 0 0 55 -4,-2.7 -1,-0.1 -5,-0.2 0, 0.0 -0.894 95.3-101.5-111.8 144.9 -37.5 -4.9 73.6 127 138 A G - 0 0 74 -2,-0.4 2,-0.5 1,-0.1 -2,-0.1 -0.232 40.4-132.7 -58.8 150.8 -37.4 -4.2 69.9 128 139 A F - 0 0 79 -5,-0.1 -1,-0.1 -4,-0.1 -5,-0.0 -0.941 22.7-176.7-124.5 122.8 -40.6 -2.8 68.6 129 140 A D > - 0 0 73 -2,-0.5 4,-1.5 1,-0.1 3,-0.5 -0.826 34.9-117.5-113.2 155.1 -42.7 -3.8 65.5 130 141 A P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.769 109.6 61.7 -71.3 -28.5 -45.9 -2.2 64.1 131 142 A F H > S+ 0 0 69 1,-0.2 4,-0.9 2,-0.2 232,-0.1 0.965 113.7 38.3 -49.7 -53.1 -48.2 -5.3 64.5 132 143 A I H > S+ 0 0 26 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.748 112.8 59.3 -74.3 -23.7 -47.4 -5.0 68.2 133 144 A S H X S+ 0 0 44 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.953 105.3 44.3 -72.4 -50.8 -47.5 -1.2 68.2 134 145 A T H X S+ 0 0 98 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.754 112.9 57.7 -65.3 -23.2 -51.1 -0.7 66.9 135 146 A N H X S+ 0 0 12 -4,-0.9 4,-2.2 -5,-0.3 -1,-0.2 0.838 105.6 45.5 -72.4 -38.8 -52.0 -3.4 69.4 136 147 A I H X S+ 0 0 8 -4,-1.4 4,-3.5 -3,-0.4 5,-0.2 0.908 112.8 53.0 -70.8 -40.9 -50.6 -1.6 72.4 137 148 A Q H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.937 110.3 46.8 -51.0 -51.7 -52.4 1.5 71.1 138 149 A Y H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 114.8 47.4 -64.1 -42.3 -55.7 -0.4 70.9 139 150 A F H X S+ 0 0 3 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.936 111.8 48.9 -64.3 -50.0 -55.2 -1.8 74.3 140 151 A L H X S+ 0 0 0 -4,-3.5 4,-3.3 2,-0.2 5,-0.4 0.930 107.8 52.6 -62.2 -46.6 -54.2 1.5 75.9 141 152 A D H X S+ 0 0 34 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.938 118.2 39.8 -49.2 -48.3 -57.2 3.4 74.4 142 153 A R H X S+ 0 0 45 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.926 115.2 50.2 -71.5 -44.0 -59.5 0.8 75.9 143 154 A F H X S+ 0 0 2 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.933 115.3 42.8 -64.5 -44.0 -57.7 0.3 79.1 144 155 A Y H X S+ 0 0 5 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.860 108.9 58.7 -72.5 -34.3 -57.6 4.0 79.9 145 156 A T H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.4 3,-0.2 0.964 106.3 48.7 -56.5 -47.6 -61.2 4.5 78.7 146 157 A N H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.880 107.6 55.8 -57.9 -37.9 -62.4 2.0 81.3 147 158 A R H X S+ 0 0 15 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.891 107.0 49.4 -60.9 -40.4 -60.3 3.8 84.0 148 159 A I H X S+ 0 0 15 -4,-2.0 4,-2.9 -3,-0.2 -2,-0.2 0.953 112.4 49.3 -60.7 -47.1 -62.2 7.0 83.1 149 160 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.885 108.6 50.0 -63.0 -43.0 -65.4 5.1 83.4 150 161 A F H X S+ 0 0 6 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.895 113.4 48.6 -60.5 -37.1 -64.7 3.5 86.9 151 162 A R H X S+ 0 0 64 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.932 109.0 51.9 -73.0 -41.0 -63.7 6.9 88.1 152 163 A M H X S+ 0 0 3 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.973 114.0 44.0 -53.0 -56.2 -66.8 8.4 86.8 153 164 A L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.928 115.4 46.4 -57.5 -48.6 -69.0 5.7 88.5 154 165 A I H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.874 110.7 53.8 -65.5 -36.7 -67.1 5.9 91.8 155 166 A N H X S+ 0 0 47 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.893 106.5 51.9 -63.7 -39.3 -67.2 9.6 91.9 156 167 A Q H X S+ 0 0 9 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.978 113.0 43.8 -64.2 -52.2 -70.9 9.8 91.4 157 168 A H H X S+ 0 0 2 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.939 117.3 43.7 -58.5 -50.4 -71.6 7.4 94.3 158 169 A T H X S+ 0 0 16 -4,-2.4 4,-2.0 1,-0.2 6,-0.3 0.908 115.4 48.4 -66.7 -40.7 -69.1 9.0 96.8 159 170 A L H < S+ 0 0 99 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.905 118.3 41.9 -65.3 -38.0 -70.1 12.5 95.9 160 171 A L H < S+ 0 0 47 -4,-2.6 3,-0.3 -5,-0.3 -2,-0.2 0.927 131.4 19.8 -73.1 -46.5 -73.8 11.7 96.3 161 172 A F H < S+ 0 0 31 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.379 90.6 98.8-115.1 3.5 -73.8 9.5 99.4 162 173 A G S < S- 0 0 40 -4,-2.0 -1,-0.2 -5,-0.3 3,-0.1 0.673 84.6-137.1 -58.8 -17.3 -70.5 10.4 101.0 163 174 A G + 0 0 56 -3,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.619 41.6 165.5 68.4 15.0 -72.8 12.6 103.1 164 175 A D - 0 0 105 -6,-0.3 2,-0.7 -5,-0.2 -1,-0.2 -0.524 21.0-168.2 -69.0 99.6 -70.3 15.5 102.9 165 176 A T S S+ 0 0 136 -2,-1.0 -1,-0.1 1,-0.2 -2,-0.0 -0.142 79.0 61.2 -83.9 38.9 -72.4 18.5 104.0 166 177 A N S S- 0 0 135 -2,-0.7 -1,-0.2 3,-0.0 -2,-0.1 -0.130 76.9-176.6-153.0 42.6 -69.7 20.9 102.8 167 178 A P - 0 0 73 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.222 28.6-139.0 -68.7 133.9 -69.5 20.2 99.0 168 179 A V S S+ 0 0 127 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.852 102.0 31.0 -48.1 -45.5 -66.9 22.1 96.9 169 180 A H S > S- 0 0 117 1,-0.2 3,-1.5 5,-0.1 -1,-0.3 -0.758 75.8-177.7-123.6 86.9 -69.4 22.6 94.1 170 181 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.834 75.4 48.6 -60.2 -46.7 -72.9 22.9 95.7 171 182 A K T 3 S+ 0 0 191 2,-0.1 2,-0.0 6,-0.0 -2,-0.0 0.452 94.2 98.2 -80.0 2.1 -75.2 23.2 92.7 172 183 A H S < S- 0 0 39 -3,-1.5 2,-0.5 5,-0.1 5,-0.2 -0.162 74.3-126.6 -77.6 173.3 -73.7 20.2 90.8 173 184 A I B > S-B 176 0B 26 3,-3.2 3,-2.0 -2,-0.0 2,-0.4 -0.856 75.2 -55.4-125.9 95.6 -75.0 16.6 90.7 174 185 A G T 3 S- 0 0 16 -2,-0.5 -2,-0.1 1,-0.3 -18,-0.1 -0.603 120.9 -25.4 59.3-122.7 -72.0 14.6 91.7 175 186 A S T 3 S+ 0 0 20 -2,-0.4 2,-0.4 -23,-0.2 53,-0.3 0.399 118.1 105.5 -99.2 4.3 -69.4 15.7 89.2 176 187 A I B < -B 173 0B 0 -3,-2.0 -3,-3.2 50,-0.2 50,-0.2 -0.700 56.9-154.0 -84.5 133.0 -72.0 16.7 86.6 177 188 A D E > -C 225 0C 25 48,-3.0 48,-1.9 -2,-0.4 3,-0.8 -0.930 3.3-161.2-103.8 117.1 -72.7 20.4 86.1 178 189 A P E 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.733 92.3 32.7 -67.8 -23.5 -76.2 21.1 84.6 179 190 A T E 3 S+ 0 0 84 46,-0.1 2,-0.7 43,-0.1 45,-0.2 -0.519 76.6 173.5-134.2 66.8 -75.2 24.5 83.5 180 191 A C E < -C 223 0C 1 43,-2.3 43,-1.8 -3,-0.8 2,-0.6 -0.660 25.8-143.0 -77.8 115.4 -71.6 24.3 82.5 181 192 A N E > -C 222 0C 33 -2,-0.7 4,-1.2 41,-0.2 41,-0.2 -0.720 11.6-159.3 -82.2 118.4 -70.5 27.6 80.9 182 193 A V H > S+ 0 0 0 39,-2.1 4,-2.6 -2,-0.6 -1,-0.2 0.886 84.5 53.4 -76.8 -39.5 -68.2 26.6 78.2 183 194 A A H > S+ 0 0 12 38,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.863 106.2 56.5 -65.8 -31.9 -66.3 29.8 77.6 184 195 A D H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 108.2 46.3 -65.8 -38.6 -65.5 29.9 81.4 185 196 A V H X S+ 0 0 20 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.928 111.6 52.7 -70.6 -42.4 -63.9 26.5 81.2 186 197 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 110.1 48.1 -50.7 -49.3 -62.0 27.6 78.1 187 198 A K H X S+ 0 0 103 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.918 113.9 46.6 -62.6 -41.1 -60.7 30.7 79.9 188 199 A D H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.917 111.5 49.5 -66.2 -45.7 -59.6 28.7 83.0 189 200 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.930 114.1 48.7 -60.7 -42.8 -57.9 26.0 80.9 190 201 A Y H X S+ 0 0 7 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.949 107.7 50.9 -61.2 -53.0 -56.1 28.8 79.1 191 202 A E H X S+ 0 0 131 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.916 112.4 49.3 -55.5 -34.9 -54.9 30.7 82.1 192 203 A T H X S+ 0 0 30 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.915 111.8 45.9 -79.7 -34.5 -53.5 27.6 83.5 193 204 A A H >X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 3,-0.5 0.933 109.7 57.0 -61.2 -45.0 -51.7 26.5 80.4 194 205 A K H 3X S+ 0 0 49 -4,-3.0 4,-3.7 1,-0.3 5,-0.3 0.934 102.1 56.0 -51.6 -52.1 -50.4 30.2 80.0 195 206 A M H 3X S+ 0 0 119 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.850 110.3 44.1 -44.9 -47.2 -48.8 30.0 83.5 196 207 A L H S- 0 0 45 -3,-0.5 3,-1.9 3,-0.2 -1,-0.3 -0.675 81.7-142.1-155.5 89.8 -80.3 30.8 70.5 217 228 A P T 3 S+ 0 0 84 0, 0.0 -4,-0.7 0, 0.0 -1,-0.1 0.590 87.6 31.2 -30.6 -59.7 -78.1 33.6 69.1 218 229 A D T 3 S+ 0 0 171 -6,-0.1 -4,-0.1 -4,-0.1 -6,-0.0 0.582 95.6 107.6 -83.1 -5.4 -77.1 36.1 71.9 219 230 A K S < S- 0 0 95 -3,-1.9 -3,-0.2 -6,-0.2 -6,-0.1 -0.456 76.9-107.9 -83.5 137.8 -77.1 33.6 74.7 220 231 A P - 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