==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-DEC-11 3VAD . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.AHMED,W.J.GUI,S.C.TSO,J.L.CHUANG,R.M WYNN,D.T.CHUANG . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 2 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 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 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 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 38 A V 0 0 92 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 17.0 5.3 -23.1 30.8 2 39 A R E -A 9 0A 95 7,-0.9 7,-4.4 6,-0.1 2,-0.3 -0.489 360.0-172.5 -71.4 126.5 6.8 -23.4 27.3 3 40 A L E +A 8 0A 97 5,-0.3 308,-0.4 -2,-0.3 5,-0.3 -0.838 23.5 175.8-125.7 157.2 4.9 -21.4 24.6 4 41 A T S S+ 0 0 51 3,-2.8 2,-0.4 -2,-0.3 -1,-0.1 0.684 74.0 1.7-122.2 -75.3 4.9 -21.0 20.8 5 42 A P S S- 0 0 35 0, 0.0 3,-0.1 0, 0.0 283,-0.0 -0.741 126.1 -50.5-123.4 85.2 2.2 -18.8 19.1 6 43 A T S S+ 0 0 134 -2,-0.4 2,-0.4 1,-0.2 -3,-0.0 0.463 123.3 96.5 67.1 4.6 -0.1 -17.2 21.8 7 44 A M - 0 0 4 2,-0.0 -3,-2.8 23,-0.0 2,-0.4 -0.967 62.9-148.1-130.1 138.7 -0.4 -20.8 23.2 8 45 A M E -A 3 0A 85 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.878 8.2-144.2-114.4 137.8 1.5 -22.6 25.9 9 46 A L E -A 2 0A 1 -7,-4.4 -7,-0.9 -2,-0.4 2,-0.5 -0.896 36.8-115.9 -93.2 124.5 2.5 -26.2 26.4 10 47 A Y - 0 0 59 -2,-0.5 2,-0.6 -9,-0.2 13,-0.0 -0.450 29.4-170.9 -72.9 112.2 2.3 -27.1 30.1 11 48 A S + 0 0 41 -2,-0.5 2,-0.3 141,-0.0 -1,-0.0 -0.922 37.4 110.6-102.5 116.3 5.6 -28.0 31.8 12 49 A G - 0 0 20 -2,-0.6 2,-0.3 -11,-0.0 7,-0.0 -0.933 44.3-144.6-179.8 154.1 5.0 -29.3 35.3 13 50 A R + 0 0 192 -2,-0.3 2,-0.3 6,-0.0 -2,-0.0 -0.946 16.7 163.8-134.3 153.3 5.2 -32.4 37.5 14 51 A S - 0 0 47 -2,-0.3 6,-0.1 1,-0.1 5,-0.1 -0.864 31.0-144.7-166.2 136.2 3.2 -33.9 40.5 15 52 A Q S S+ 0 0 208 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.828 106.6 45.7 -71.7 -34.3 3.2 -37.4 42.0 16 53 A D S S- 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.853 116.7-114.0 -76.6 -38.0 -0.5 -37.1 42.8 17 54 A G > + 0 0 12 3,-0.0 4,-0.6 61,-0.0 3,-0.4 0.743 67.3 141.1 109.6 34.4 -1.4 -35.7 39.4 18 55 A S H > + 0 0 48 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.664 70.0 66.4 -74.9 -18.7 -2.6 -32.2 39.9 19 56 A H H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.808 94.4 58.9 -70.1 -32.2 -0.7 -31.1 36.8 20 57 A L H > S+ 0 0 12 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.846 103.4 51.2 -63.0 -38.1 -3.1 -33.2 34.7 21 58 A L H X S+ 0 0 34 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.920 110.2 46.4 -70.8 -46.0 -6.2 -31.3 35.9 22 59 A K H X S+ 0 0 118 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.881 115.4 48.1 -63.9 -38.4 -4.8 -27.8 35.1 23 60 A S H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.937 111.1 50.1 -64.4 -51.4 -3.7 -29.1 31.7 24 61 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 110.9 48.7 -52.3 -48.0 -7.1 -30.7 31.0 25 62 A R H X S+ 0 0 91 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.846 108.3 55.8 -62.2 -35.3 -8.9 -27.5 31.9 26 63 A Y H X S+ 0 0 31 -4,-1.5 4,-2.4 2,-0.2 3,-0.5 0.970 109.5 44.7 -61.0 -52.8 -6.6 -25.6 29.7 27 64 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.908 111.9 53.0 -55.1 -48.5 -7.5 -27.8 26.7 28 65 A Q H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.6 43.2 -55.1 -33.3 -11.2 -27.5 27.6 29 66 A Q H < S+ 0 0 133 -4,-1.6 4,-0.5 -3,-0.5 -2,-0.2 0.826 123.7 35.5 -78.7 -34.0 -10.8 -23.7 27.6 30 67 A E H X S+ 0 0 37 -4,-2.4 4,-1.7 -5,-0.1 3,-0.2 0.935 106.5 56.7 -94.4 -51.3 -8.7 -23.6 24.5 31 68 A L H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.907 103.0 52.9 -52.7 -52.2 -9.8 -26.2 21.9 32 69 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.895 108.2 50.7 -56.0 -44.7 -13.5 -25.2 21.6 33 70 A V H > S+ 0 0 78 -4,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.904 113.1 46.5 -58.7 -41.4 -12.7 -21.5 20.8 34 71 A R H X S+ 0 0 37 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.860 108.8 52.1 -77.1 -34.7 -10.3 -22.5 18.2 35 72 A I H X S+ 0 0 11 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.946 110.0 52.5 -59.8 -43.1 -12.5 -25.1 16.5 36 73 A A H X S+ 0 0 36 -4,-2.5 4,-1.9 -5,-0.3 3,-0.4 0.928 105.2 54.3 -59.8 -45.8 -15.2 -22.3 16.4 37 74 A H H X S+ 0 0 121 -4,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.885 109.7 47.6 -52.2 -41.5 -12.6 -20.0 14.7 38 75 A R H X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.761 103.9 60.3 -77.4 -22.7 -12.1 -22.7 12.1 39 76 A I H X S+ 0 0 11 -4,-1.8 4,-2.0 -3,-0.4 -2,-0.2 0.918 102.4 52.6 -68.7 -39.1 -15.8 -23.2 11.6 40 77 A K H X S+ 0 0 144 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.923 104.6 57.5 -55.8 -45.2 -16.1 -19.5 10.5 41 78 A G H < S+ 0 0 15 -4,-1.3 4,-0.5 1,-0.3 -1,-0.2 0.874 107.7 46.1 -53.7 -42.8 -13.4 -20.2 8.1 42 79 A F H >< S+ 0 0 5 -4,-1.6 3,-0.6 1,-0.2 -1,-0.3 0.846 110.7 53.6 -65.5 -35.6 -15.6 -22.9 6.5 43 80 A R H 3< S+ 0 0 176 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.713 108.3 50.3 -73.2 -21.3 -18.5 -20.6 6.5 44 81 A S T 3< S+ 0 0 94 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.517 81.8 116.9 -97.8 -6.5 -16.6 -17.9 4.7 45 82 A L S < S- 0 0 17 -3,-0.6 5,-0.1 -4,-0.5 -3,-0.0 -0.318 86.0 -83.0 -57.9 141.3 -15.4 -20.2 1.9 46 83 A P >> - 0 0 27 0, 0.0 4,-2.9 0, 0.0 3,-0.9 -0.206 45.9-117.1 -42.8 135.8 -16.6 -19.3 -1.6 47 84 A F H 3> S+ 0 0 167 1,-0.3 4,-1.0 2,-0.2 -2,-0.1 0.824 112.0 51.1 -52.8 -44.2 -20.0 -20.9 -1.9 48 85 A I H 34 S+ 0 0 85 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.797 114.0 45.1 -70.7 -28.4 -19.2 -23.2 -4.7 49 86 A I H X4 S+ 0 0 0 -3,-0.9 3,-2.0 2,-0.2 -2,-0.2 0.950 110.6 52.9 -72.1 -53.9 -16.1 -24.5 -2.8 50 87 A G H 3< S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.639 103.7 60.7 -56.3 -17.6 -18.1 -24.9 0.4 51 88 A C T 3< S+ 0 0 62 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.584 73.3 113.4 -86.9 -18.2 -20.7 -26.9 -1.4 52 89 A N S <> S- 0 0 39 -3,-2.0 4,-2.9 -4,-0.3 5,-0.2 -0.402 74.2-126.5 -57.4 129.3 -18.3 -29.7 -2.5 53 90 A P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.830 108.5 45.9 -51.3 -41.2 -19.3 -32.9 -0.7 54 91 A T H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 111.1 52.1 -71.3 -39.9 -15.8 -33.6 0.7 55 92 A I H > S+ 0 0 0 1,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.945 112.1 47.8 -60.2 -42.8 -15.5 -30.0 1.8 56 93 A L H X S+ 0 0 71 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.875 106.3 57.8 -61.8 -41.0 -18.8 -30.4 3.6 57 94 A H H X S+ 0 0 87 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.980 110.7 41.3 -52.4 -57.2 -17.7 -33.7 5.1 58 95 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 112.2 57.0 -61.4 -38.5 -14.7 -31.9 6.8 59 96 A H H X S+ 0 0 28 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.935 109.1 45.6 -53.0 -51.6 -17.1 -29.0 7.7 60 97 A E H X S+ 0 0 84 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.883 108.4 57.1 -60.7 -43.1 -19.4 -31.5 9.5 61 98 A L H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.857 106.7 49.5 -55.4 -39.4 -16.4 -33.1 11.2 62 99 A Y H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.889 111.6 47.4 -70.6 -40.2 -15.4 -29.8 12.7 63 100 A I H X S+ 0 0 60 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.952 112.1 50.5 -60.7 -51.5 -19.0 -29.0 13.9 64 101 A R H X S+ 0 0 135 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.915 109.8 51.3 -52.5 -44.2 -19.2 -32.5 15.4 65 102 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.910 111.6 46.5 -62.0 -41.7 -15.9 -31.9 17.1 66 103 A F H X S+ 0 0 70 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.949 112.2 50.6 -63.4 -50.2 -17.2 -28.6 18.5 67 104 A Q H X S+ 0 0 108 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.963 112.9 45.4 -51.5 -58.2 -20.4 -30.2 19.7 68 105 A K H X S+ 0 0 74 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.895 113.7 50.2 -54.1 -44.9 -18.6 -33.0 21.5 69 106 A L H >< S+ 0 0 5 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.916 114.1 41.4 -63.4 -44.3 -16.0 -30.6 23.1 70 107 A T H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.1 60.2 -77.5 -29.8 -18.6 -28.1 24.5 71 108 A D H 3< S+ 0 0 131 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.661 82.7 102.5 -65.3 -17.7 -20.9 -30.9 25.6 72 109 A F S << S- 0 0 37 -4,-0.7 3,-0.1 -3,-0.7 12,-0.0 -0.537 79.9-117.7 -74.3 132.8 -18.2 -32.3 27.9 73 110 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.274 39.6 -84.5 -69.4 154.9 -18.7 -31.3 31.5 74 111 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -49,-0.1 -0.320 51.2-110.4 -60.2 142.2 -16.1 -29.2 33.3 75 112 A I + 0 0 1 1,-0.1 3,-0.1 -54,-0.1 -50,-0.0 -0.597 49.5 153.7 -80.7 129.7 -13.3 -31.3 34.7 76 113 A K + 0 0 149 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.625 59.5 21.4-123.0 -28.2 -13.0 -31.6 38.5 77 114 A D S >> S- 0 0 80 1,-0.1 4,-1.7 -56,-0.0 3,-1.5 -0.927 84.0 -92.2-144.8 163.9 -11.2 -34.9 39.3 78 115 A Q H 3> S+ 0 0 87 -2,-0.3 4,-3.3 1,-0.3 5,-0.2 0.880 122.1 56.6 -43.7 -49.0 -8.9 -37.5 37.8 79 116 A A H 3> S+ 0 0 66 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.788 107.4 48.3 -59.6 -32.4 -11.8 -39.6 36.6 80 117 A D H X> S+ 0 0 44 -3,-1.5 4,-2.0 2,-0.2 3,-1.0 0.988 113.9 45.8 -62.8 -63.5 -13.2 -36.7 34.6 81 118 A E H 3X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.865 108.8 56.4 -45.6 -47.5 -9.8 -36.0 33.0 82 119 A A H 3X S+ 0 0 38 -4,-3.3 4,-0.7 -5,-0.3 -1,-0.3 0.873 110.4 44.9 -58.0 -37.2 -9.2 -39.6 32.3 83 120 A Q H < S+ 0 0 91 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.957 113.5 49.3 -57.9 -53.8 -8.5 -40.5 15.2 94 131 A D H 3< S+ 0 0 61 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.822 115.8 43.5 -53.5 -37.4 -11.6 -39.0 13.5 95 132 A H T >< S+ 0 0 26 -4,-2.3 3,-1.1 -5,-0.2 4,-0.3 0.214 81.1 102.5 -98.7 14.5 -9.6 -36.0 12.1 96 133 A K T < S+ 0 0 115 -3,-1.5 3,-0.3 1,-0.3 4,-0.2 0.801 83.7 46.3 -74.1 -27.5 -6.5 -37.9 10.9 97 134 A D T >> S+ 0 0 94 -3,-0.4 4,-2.7 -4,-0.3 3,-0.5 0.375 81.3 107.0 -91.9 3.9 -7.5 -37.8 7.2 98 135 A V H <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.3 5,-0.2 0.861 75.8 50.6 -57.1 -42.8 -8.5 -34.1 7.2 99 136 A V H 3> S+ 0 0 27 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.3 0.886 114.0 45.8 -62.0 -37.9 -5.5 -32.8 5.3 100 137 A T H <> S+ 0 0 70 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.917 111.9 49.6 -74.2 -42.7 -6.1 -35.4 2.5 101 138 A L H X S+ 0 0 39 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.940 111.2 51.0 -61.3 -44.1 -9.8 -34.8 2.4 102 139 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.908 109.9 50.1 -58.7 -45.0 -9.1 -31.1 2.1 103 140 A A H X S+ 0 0 3 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.964 114.8 42.6 -57.1 -53.9 -6.6 -31.7 -0.7 104 141 A E H X S+ 0 0 100 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.892 115.2 52.3 -57.4 -40.3 -9.2 -33.9 -2.6 105 142 A G H X S+ 0 0 0 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.907 114.4 38.3 -67.1 -43.9 -11.9 -31.4 -1.9 106 143 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.646 92.1 89.9 -85.1 -14.5 -10.2 -28.3 -3.1 107 144 A R H < S+ 0 0 128 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.2 0.925 105.7 16.8 -54.6 -56.2 -8.5 -29.8 -6.1 108 145 A E H >X S+ 0 0 95 -4,-0.6 3,-2.1 -3,-0.2 4,-0.5 0.980 122.1 58.4 -75.8 -61.6 -11.4 -29.2 -8.6 109 146 A S H 3< S+ 0 0 11 -4,-0.7 3,-0.4 1,-0.3 -2,-0.2 0.611 94.1 69.9 -43.4 -22.1 -13.4 -26.5 -6.7 110 147 A R T >< S+ 0 0 54 -4,-1.7 3,-0.9 1,-0.2 -1,-0.3 0.757 90.0 57.6 -76.5 -25.3 -10.5 -24.1 -6.5 111 148 A K T <4 S+ 0 0 138 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.740 91.4 75.6 -73.4 -23.2 -10.3 -23.3 -10.3 112 149 A H T 3< S+ 0 0 118 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.478 89.4 64.8 -75.4 -6.7 -13.9 -22.1 -10.1 113 150 A I < - 0 0 31 -3,-0.9 0, 0.0 -4,-0.1 0, 0.0 -0.871 69.8-145.0-112.8 157.4 -13.0 -18.8 -8.3 114 151 A E S S+ 0 0 167 -2,-0.3 2,-1.1 1,-0.1 -1,-0.1 0.639 78.9 91.3 -86.9 -20.6 -10.9 -15.9 -9.6 115 152 A D > + 0 0 61 1,-0.2 4,-0.5 2,-0.1 3,-0.4 -0.684 46.5 174.1 -87.4 96.7 -9.3 -15.2 -6.2 116 153 A E H > S+ 0 0 149 -2,-1.1 4,-0.9 1,-0.2 3,-0.5 0.839 75.3 62.3 -66.5 -38.2 -6.1 -17.2 -6.0 117 154 A K H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.803 92.0 68.1 -57.3 -35.1 -5.1 -15.7 -2.6 118 155 A L H > S+ 0 0 72 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.841 97.3 45.3 -63.7 -43.8 -8.1 -17.1 -0.8 119 156 A V H X S+ 0 0 3 -4,-0.5 4,-3.2 -3,-0.5 5,-0.3 0.952 113.1 50.3 -69.3 -49.1 -7.4 -20.9 -0.8 120 157 A R H X S+ 0 0 69 -4,-0.9 4,-3.0 1,-0.2 5,-0.3 0.944 112.6 48.4 -45.2 -53.6 -3.8 -20.5 0.2 121 158 A Y H X S+ 0 0 153 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.830 114.0 47.1 -60.4 -32.6 -4.9 -18.2 3.1 122 159 A F H X S+ 0 0 14 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.930 115.1 43.3 -76.8 -50.0 -7.6 -20.8 4.1 123 160 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.5 0.935 112.9 52.2 -59.0 -49.0 -5.3 -23.8 4.0 124 161 A D H X S+ 0 0 49 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.925 116.0 41.5 -53.2 -47.4 -2.4 -22.1 5.7 125 162 A K H X S+ 0 0 83 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.834 118.4 44.1 -74.8 -35.7 -4.7 -21.0 8.5 126 163 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.977 116.0 45.3 -74.7 -55.6 -6.6 -24.3 8.8 127 164 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.845 114.4 48.9 -57.5 -37.1 -3.6 -26.6 8.6 128 165 A T H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.5 -1,-0.2 0.860 110.3 49.4 -75.4 -33.2 -1.6 -24.5 11.1 129 166 A S H X S+ 0 0 22 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.893 111.1 52.8 -66.5 -37.4 -4.4 -24.3 13.7 130 167 A R H X S+ 0 0 27 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.828 106.8 50.2 -65.8 -35.0 -4.7 -28.0 13.3 131 168 A L H X S+ 0 0 9 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.965 111.6 48.8 -67.0 -48.7 -1.0 -28.6 13.9 132 169 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.823 112.3 51.1 -53.7 -34.9 -1.4 -26.4 17.0 133 170 A F H X S+ 0 0 26 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.957 111.8 43.5 -67.7 -55.4 -4.4 -28.6 17.9 134 171 A R H X S+ 0 0 93 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.794 113.8 53.1 -62.6 -29.4 -2.6 -31.9 17.5 135 172 A M H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.989 112.3 42.7 -70.1 -56.8 0.4 -30.6 19.4 136 173 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.895 119.5 45.0 -52.7 -45.2 -1.7 -29.4 22.4 137 174 A A H X S+ 0 0 7 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.937 114.4 45.6 -68.9 -49.1 -3.7 -32.6 22.3 138 175 A T H X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.862 110.9 56.2 -63.4 -36.1 -0.9 -35.1 21.9 139 176 A H H X S+ 0 0 2 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.974 106.3 48.8 -57.1 -55.9 1.1 -33.2 24.6 140 177 A H H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.3 -2,-0.2 0.910 113.3 46.9 -53.1 -48.8 -1.7 -33.6 27.1 141 178 A L H >X S+ 0 0 13 -4,-2.1 3,-1.2 1,-0.2 4,-0.7 0.874 110.2 53.6 -58.1 -39.0 -2.0 -37.3 26.4 142 179 A A H 3< S+ 0 0 9 -4,-2.2 3,-0.4 1,-0.3 10,-0.3 0.848 92.1 73.0 -70.7 -33.4 1.8 -37.7 26.6 143 180 A L T 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.679 91.2 59.7 -53.2 -22.4 1.9 -36.1 30.0 144 181 A H T <4 S+ 0 0 75 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.973 94.5 79.4 -65.7 -53.5 0.4 -39.4 31.3 145 182 A E S < S- 0 0 95 -4,-0.7 2,-0.4 -3,-0.4 7,-0.2 0.033 70.7-145.3 -54.9 154.1 3.4 -41.4 30.1 146 183 A D + 0 0 166 5,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.761 36.4 158.3-121.7 81.8 6.7 -41.6 31.9 147 184 A K > - 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