==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/HORMONE ACTIVATOR 08-MAR-12 4E2J . COMPND 2 MOLECULE: ANCESTRAL GLUCOCORTICOID RECEPTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR J.A.KOHN,K.DESHPANDE,E.A.ORTLUND . 516 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 4 0 0 0 2 1 0 2 0 3 0 0 0 0 0 2 2 0 0 0 2 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 -1 A P 0 0 178 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 81.5 -19.5 -6.6 15.0 2 0 A T > - 0 0 91 1,-0.1 4,-1.3 4,-0.0 5,-0.1 -0.184 360.0-117.3 -76.1 165.4 -21.4 -5.0 17.9 3 1 A L H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.870 113.8 53.1 -68.9 -38.7 -24.4 -2.6 17.8 4 2 A I H > S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.874 106.4 52.1 -66.1 -38.7 -22.5 0.2 19.4 5 3 A S H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.853 108.1 52.5 -67.4 -34.1 -19.6 -0.0 16.9 6 4 A L H X S+ 0 0 69 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.881 105.9 53.8 -65.2 -40.3 -22.2 0.2 14.1 7 5 A L H X S+ 0 0 2 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.822 107.0 53.0 -61.7 -33.3 -23.6 3.4 15.8 8 6 A E H >< S+ 0 0 80 -4,-1.5 3,-0.5 2,-0.2 -2,-0.2 0.928 111.2 45.5 -65.6 -44.3 -20.1 4.8 15.7 9 7 A V H 3< S+ 0 0 121 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.6 47.5 -69.5 -39.0 -19.8 4.1 11.9 10 8 A I H 3< S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.499 80.5 117.4 -86.4 -3.1 -23.2 5.5 11.0 11 9 A E S << S- 0 0 38 -4,-0.6 34,-0.0 -3,-0.5 -3,-0.0 -0.524 74.5-111.5 -64.2 121.1 -22.8 8.7 13.0 12 10 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.197 29.6-107.3 -58.0 143.6 -22.9 11.6 10.4 13 11 A E - 0 0 174 1,-0.1 2,-0.2 -3,-0.1 31,-0.1 -0.446 44.4 -92.8 -67.9 143.7 -19.8 13.6 9.8 14 12 A V - 0 0 63 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.434 47.6-136.8 -61.3 123.3 -19.8 17.1 11.3 15 13 A L - 0 0 41 -2,-0.2 2,-0.4 79,-0.2 -1,-0.1 -0.499 3.3-129.0 -87.1 152.2 -21.0 19.5 8.6 16 14 A Y - 0 0 141 -2,-0.2 79,-0.1 79,-0.1 -1,-0.0 -0.842 6.2-153.1 -99.1 137.7 -19.6 23.0 7.7 17 15 A S - 0 0 20 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.789 23.2-137.0 -78.4 -30.6 -22.0 25.9 7.5 18 16 A G + 0 0 60 1,-0.2 -2,-0.0 19,-0.0 80,-0.0 0.670 37.7 177.0 75.0 19.1 -20.1 27.9 5.0 19 17 A Y - 0 0 24 1,-0.1 2,-0.7 2,-0.1 -1,-0.2 -0.295 22.0-145.3 -58.4 135.8 -20.8 31.0 7.1 20 18 A D > + 0 0 73 1,-0.1 3,-1.5 -3,-0.1 -1,-0.1 -0.816 19.5 180.0-113.9 93.5 -19.1 34.1 5.7 21 19 A S T 3 S+ 0 0 95 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.286 75.2 77.2 -78.6 11.4 -18.0 36.4 8.5 22 20 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.745 86.1 75.5 -83.3 -29.1 -16.6 38.9 6.0 23 21 A L S < S- 0 0 85 -3,-1.5 2,-0.1 1,-0.1 0, 0.0 -0.268 106.7 -75.0 -70.4 164.2 -20.2 40.0 5.4 24 22 A P - 0 0 89 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.387 46.8-117.0 -64.2 141.3 -22.1 42.2 7.9 25 23 A D + 0 0 73 -4,-0.1 2,-0.3 -3,-0.1 3,-0.0 -0.715 49.7 157.4 -83.3 103.8 -23.2 40.5 11.1 26 24 A T > - 0 0 57 -2,-0.9 4,-1.6 1,-0.1 5,-0.1 -0.867 50.1-121.6-123.8 161.8 -27.0 40.6 11.2 27 25 A S H > S+ 0 0 43 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.912 111.5 51.6 -64.8 -46.4 -29.7 38.5 13.0 28 26 A T H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 191,-0.3 0.904 109.7 49.3 -59.0 -46.2 -31.5 37.5 9.8 29 27 A R H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 112.9 47.4 -61.1 -41.3 -28.3 36.3 8.2 30 28 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.936 113.7 44.7 -69.0 -47.7 -27.3 34.2 11.2 31 29 A M H X S+ 0 0 34 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.808 115.5 49.3 -68.2 -29.5 -30.7 32.5 11.7 32 30 A S H X S+ 0 0 20 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.856 111.3 48.6 -74.9 -39.0 -31.0 31.8 8.0 33 31 A T H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.889 113.5 47.8 -64.8 -41.0 -27.4 30.3 7.9 34 32 A L H X S+ 0 0 34 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.875 110.8 51.0 -68.6 -37.9 -28.4 28.2 10.9 35 33 A N H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 110.0 49.4 -63.9 -41.9 -31.6 27.1 9.3 36 34 A R H X S+ 0 0 162 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.890 112.8 47.2 -63.8 -42.0 -29.8 26.1 6.1 37 35 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 111.9 51.7 -62.1 -45.6 -27.3 24.1 8.2 38 36 A G H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.853 104.7 55.3 -59.6 -40.7 -30.2 22.6 10.1 39 37 A G H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.900 110.9 45.3 -58.5 -43.5 -32.0 21.5 6.9 40 38 A R H X S+ 0 0 104 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.873 111.3 52.3 -68.4 -40.9 -28.8 19.6 5.8 41 39 A Q H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.866 107.4 52.7 -62.9 -38.0 -28.3 18.1 9.3 42 40 A V H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.891 106.1 53.6 -65.4 -40.2 -31.9 16.8 9.2 43 41 A V H X S+ 0 0 52 -4,-1.6 4,-1.7 1,-0.2 3,-0.3 0.931 110.1 47.7 -56.9 -47.8 -31.3 15.2 5.8 44 42 A S H X S+ 0 0 33 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.883 107.6 56.4 -59.4 -41.1 -28.3 13.4 7.4 45 43 A A H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.805 104.0 52.9 -63.1 -33.1 -30.4 12.4 10.4 46 44 A V H X S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.926 111.3 45.9 -66.5 -45.1 -32.9 10.7 8.0 47 45 A K H X S+ 0 0 148 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.868 113.9 50.6 -62.2 -39.2 -30.1 8.7 6.5 48 46 A W H >< S+ 0 0 11 -4,-2.5 3,-1.0 2,-0.2 4,-0.2 0.948 110.0 48.0 -63.5 -50.9 -28.8 7.9 10.0 49 47 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 6,-0.2 0.871 106.3 57.6 -59.7 -42.2 -32.2 6.7 11.2 50 48 A K H 3< S+ 0 0 32 -4,-2.2 -1,-0.3 1,-0.3 6,-0.2 0.721 105.1 53.2 -59.1 -25.1 -32.7 4.5 8.2 51 49 A A T << S+ 0 0 43 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.389 83.1 107.6 -93.4 0.2 -29.4 2.7 9.1 52 50 A L S X> S- 0 0 8 -3,-1.7 3,-1.5 -4,-0.2 4,-0.6 -0.709 81.6-113.6 -79.6 121.1 -30.4 2.0 12.7 53 51 A P T 34 S+ 0 0 57 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.361 102.4 17.7 -53.9 124.0 -31.2 -1.7 13.1 54 52 A G T >> S+ 0 0 14 -4,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.187 96.6 96.0 108.4 -38.5 -34.9 -2.0 13.8 55 53 A F G X4 S+ 0 0 2 -3,-1.5 3,-1.0 1,-0.3 -5,-0.1 0.836 84.4 52.9 -55.1 -37.0 -36.0 1.5 12.5 56 54 A R G 3< S+ 0 0 132 -4,-0.6 -1,-0.3 1,-0.2 4,-0.1 0.555 94.4 69.7 -80.0 -8.8 -37.0 0.0 9.1 57 55 A N G <4 S+ 0 0 116 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.658 86.2 92.4 -74.9 -17.9 -39.1 -2.7 10.7 58 56 A L S << S- 0 0 6 -3,-1.0 2,-0.1 -4,-0.5 96,-0.1 -0.433 93.8 -93.9 -76.7 150.3 -41.5 0.2 11.7 59 57 A H >> - 0 0 89 1,-0.1 4,-2.1 -2,-0.1 3,-1.1 -0.396 36.6-115.9 -61.6 139.5 -44.4 1.3 9.5 60 58 A L H 3> S+ 0 0 51 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.798 116.5 54.5 -50.4 -36.6 -43.4 4.1 7.1 61 59 A D H 3> S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.868 107.9 49.1 -65.2 -39.0 -45.9 6.5 8.8 62 60 A D H <> S+ 0 0 5 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.889 108.7 54.3 -64.9 -42.0 -44.3 5.7 12.2 63 61 A Q H X S+ 0 0 6 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.888 111.5 44.2 -57.7 -43.8 -40.9 6.4 10.7 64 62 A M H X S+ 0 0 21 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.918 112.5 52.7 -67.4 -45.5 -42.0 9.8 9.5 65 63 A T H X S+ 0 0 25 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 108.3 48.7 -57.4 -49.4 -43.8 10.6 12.8 66 64 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.878 114.4 45.6 -63.3 -39.6 -40.7 9.9 15.0 67 65 A L H X S+ 0 0 8 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.909 114.6 48.2 -69.0 -42.3 -38.4 12.0 12.8 68 66 A Q H < S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 4,-0.2 0.816 116.3 44.4 -63.8 -32.8 -41.0 14.9 12.6 69 67 A Y H < S+ 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.735 123.6 29.9 -87.3 -24.3 -41.5 14.8 16.4 70 68 A S H X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 3,-0.3 0.454 81.8 105.7-118.4 -3.0 -37.9 14.5 17.6 71 69 A W H X S+ 0 0 16 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.844 84.6 48.9 -51.2 -42.3 -35.8 16.3 14.9 72 70 A M H > S+ 0 0 25 1,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.915 110.2 51.8 -65.9 -43.2 -35.2 19.4 17.1 73 71 A S H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.890 110.1 48.7 -58.0 -44.1 -34.2 17.2 20.1 74 72 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.920 113.8 46.4 -62.1 -46.0 -31.6 15.3 17.9 75 73 A M H X S+ 0 0 26 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.909 114.8 45.6 -63.4 -46.2 -30.1 18.5 16.6 76 74 A A H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.856 112.7 51.1 -68.7 -36.6 -29.9 20.2 20.0 77 75 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.932 112.0 46.7 -64.2 -47.5 -28.4 17.1 21.6 78 76 A S H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.905 112.0 50.8 -60.9 -43.9 -25.8 16.8 18.8 79 77 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 14,-0.4 0.900 108.8 52.2 -59.3 -43.5 -25.1 20.6 19.2 80 78 A G H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.905 111.5 47.6 -57.2 -43.3 -24.7 20.0 23.0 81 79 A W H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 3,-0.3 0.951 111.5 47.7 -63.9 -53.0 -22.2 17.2 22.2 82 80 A R H X S+ 0 0 28 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.893 112.3 51.0 -54.4 -43.6 -20.1 19.2 19.7 83 81 A S H X S+ 0 0 0 -4,-2.4 6,-2.5 -5,-0.2 4,-1.3 0.811 109.8 50.5 -65.9 -33.4 -20.0 22.1 22.2 84 82 A Y H X S+ 0 0 14 -4,-1.5 4,-1.5 -3,-0.3 -2,-0.2 0.933 117.8 37.5 -68.4 -50.4 -18.9 19.8 25.0 85 83 A K H < S+ 0 0 126 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.920 120.7 44.3 -68.2 -45.2 -16.0 18.3 23.0 86 84 A Q H < S- 0 0 91 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.777 138.8 -0.3 -76.8 -27.8 -14.9 21.4 21.1 87 85 A S H >< S- 0 0 26 -4,-1.3 3,-1.6 -5,-0.3 -3,-0.2 0.207 95.4-104.1-150.2 18.6 -14.9 23.9 23.9 88 86 A N T 3< S- 0 0 90 -4,-1.5 -4,-0.3 1,-0.3 -3,-0.1 0.835 81.8 -58.0 53.8 37.4 -16.0 22.2 27.2 89 87 A G T 3 S+ 0 0 16 -6,-2.5 -1,-0.3 2,-0.2 -5,-0.2 0.543 115.9 111.0 74.9 8.6 -19.5 23.8 26.9 90 88 A N S < S+ 0 0 94 -3,-1.6 2,-0.3 -7,-0.4 -2,-0.1 0.767 78.9 34.2 -82.3 -27.7 -18.1 27.3 26.9 91 89 A M S S- 0 0 53 -8,-0.4 2,-0.9 10,-0.1 -2,-0.2 -0.925 82.0-116.0-127.5 152.0 -19.1 28.0 23.3 92 90 A L E -A 100 0A 0 8,-1.4 8,-2.5 -2,-0.3 2,-1.2 -0.789 29.5-164.7 -86.8 107.3 -21.9 27.0 21.0 93 91 A C E +A 99 0A 2 -2,-0.9 6,-0.2 -14,-0.4 -11,-0.1 -0.649 23.9 159.5 -99.7 78.0 -20.2 25.0 18.3 94 92 A F E S- 0 0 22 -2,-1.2 -1,-0.2 4,-1.1 5,-0.2 0.850 77.2 -17.7 -63.8 -37.4 -22.8 24.8 15.5 95 93 A A E > S-A 98 0A 0 3,-1.2 3,-1.7 -3,-0.2 -1,-0.3 -0.946 73.0-100.5-163.6 157.7 -20.1 24.0 13.0 96 94 A P T 3 S+ 0 0 51 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.696 127.7 43.1 -64.7 -15.4 -16.3 24.4 12.9 97 95 A D T 3 S+ 0 0 53 1,-0.2 2,-0.2 -4,-0.0 -81,-0.1 0.342 114.6 53.3-104.0 2.3 -16.7 27.5 10.8 98 96 A L E < +A 95 0A 0 -3,-1.7 -3,-1.2 2,-0.0 -4,-1.1 -0.669 66.3 154.1-139.7 80.3 -19.6 28.8 13.0 99 97 A V E -A 93 0A 45 -2,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.943 33.6-140.9-112.7 125.6 -18.6 28.9 16.6 100 98 A I E -A 92 0A 2 -8,-2.5 -8,-1.4 -2,-0.5 5,-0.0 -0.799 14.1-141.1 -97.5 117.9 -20.4 31.4 18.9 101 99 A N > - 0 0 77 -2,-0.6 4,-0.8 -10,-0.2 5,-0.1 -0.160 24.4-114.9 -61.6 160.6 -18.4 33.3 21.5 102 100 A E H > S+ 0 0 87 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.887 124.4 49.5 -59.1 -40.9 -19.6 34.1 25.0 103 101 A E H >4 S+ 0 0 165 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.821 105.6 55.3 -68.8 -34.4 -19.4 37.7 23.8 104 102 A R H 34 S+ 0 0 66 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.654 102.5 58.2 -73.7 -15.4 -21.4 36.9 20.6 105 103 A M H 3< S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.682 83.4 82.2 -83.0 -19.8 -24.2 35.6 22.8 106 104 A Q << + 0 0 63 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.201 67.2 113.5 -73.9 18.8 -24.5 38.9 24.6 107 105 A L S >> S- 0 0 58 -3,-0.4 3,-1.7 1,-0.1 4,-1.6 -0.814 71.2-132.1 -94.9 133.6 -26.7 40.1 21.7 108 106 A P T 34 S+ 0 0 18 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.776 101.7 55.8 -55.9 -36.6 -30.4 40.8 22.5 109 107 A Y T 34 S+ 0 0 61 1,-0.2 4,-0.1 2,-0.1 -3,-0.1 0.668 124.2 21.8 -75.0 -15.2 -31.9 38.9 19.6 110 108 A M T <> S+ 0 0 11 -3,-1.7 4,-1.8 -5,-0.1 -1,-0.2 0.424 91.4 96.7-132.5 1.9 -30.1 35.7 20.5 111 109 A Y H X S+ 0 0 31 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.944 88.0 47.3 -58.5 -50.8 -29.1 35.7 24.2 112 110 A D H > S+ 0 0 42 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.927 114.2 43.1 -61.7 -52.2 -32.1 33.8 25.4 113 111 A Q H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.830 113.1 54.3 -65.9 -31.5 -32.1 30.9 22.9 114 112 A C H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.894 105.9 52.1 -65.9 -41.5 -28.3 30.6 23.3 115 113 A Q H X S+ 0 0 71 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.883 108.8 51.5 -61.0 -40.6 -28.6 30.2 27.1 116 114 A Q H X S+ 0 0 47 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.909 111.5 46.4 -61.4 -44.2 -31.2 27.4 26.5 117 115 A M H X S+ 0 0 29 -4,-1.8 4,-1.2 1,-0.2 3,-0.2 0.827 108.6 55.4 -70.9 -32.5 -28.8 25.6 24.1 118 116 A L H X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.798 98.3 63.5 -67.4 -30.4 -25.8 26.0 26.5 119 117 A K H X S+ 0 0 104 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.871 100.4 52.6 -63.3 -38.1 -27.8 24.4 29.3 120 118 A I H >X S+ 0 0 2 -4,-0.9 4,-1.1 -3,-0.2 3,-0.8 0.941 111.1 45.3 -60.9 -50.6 -27.9 21.1 27.2 121 119 A S H 3X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 3,-0.2 0.842 106.3 60.0 -65.3 -33.9 -24.1 21.1 26.7 122 120 A S H 3X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.763 99.5 58.1 -65.9 -24.0 -23.5 21.9 30.4 123 121 A E H S+ 0 0 2 -4,-1.1 5,-1.3 -3,-0.2 4,-0.9 0.882 113.1 47.6 -62.0 -40.3 -22.8 16.7 29.2 125 123 A V H <5S+ 0 0 35 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.935 111.9 48.9 -66.9 -47.6 -20.1 18.6 31.1 126 124 A R H <5S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 120.6 35.5 -60.8 -39.2 -21.7 17.9 34.5 127 125 A L H <5S- 0 0 8 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.482 97.5-134.0 -97.1 -4.3 -22.2 14.1 33.8 128 126 A Q T <5 - 0 0 97 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.899 32.7-157.6 48.3 46.7 -18.9 13.6 31.8 129 127 A V < - 0 0 2 -5,-1.3 2,-0.2 -6,-0.2 -1,-0.1 -0.210 4.0-132.9 -55.4 138.2 -21.0 11.7 29.3 130 128 A S > - 0 0 28 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.522 21.4-107.9 -90.6 165.8 -19.0 9.3 27.1 131 129 A Y H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.901 119.4 46.5 -60.7 -45.9 -19.3 9.0 23.3 132 130 A D H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.848 111.2 52.5 -67.1 -36.4 -21.1 5.6 23.4 133 131 A E H > S+ 0 0 0 38,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.931 110.3 49.5 -60.3 -47.1 -23.5 6.9 26.1 134 132 A Y H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 110.1 50.1 -58.1 -45.0 -24.3 9.9 23.9 135 133 A L H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.878 112.3 46.6 -65.7 -39.4 -24.9 7.7 20.8 136 134 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 112.6 49.5 -69.5 -44.8 -27.3 5.4 22.7 137 135 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.869 107.0 56.7 -58.5 -39.0 -29.2 8.3 24.3 138 136 A K H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.888 105.4 49.9 -64.1 -40.7 -29.5 9.9 20.8 139 137 A V H X S+ 0 0 1 -4,-1.5 4,-0.7 1,-0.2 3,-0.5 0.950 110.4 51.2 -57.6 -49.0 -31.2 6.8 19.5 140 138 A L H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.806 103.7 58.0 -61.1 -33.0 -33.6 6.9 22.5 141 139 A L H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.868 101.1 55.7 -63.0 -38.5 -34.4 10.6 21.8 142 140 A L H 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.734 113.6 43.1 -60.6 -22.3 -35.6 9.6 18.3 143 141 A L T << S+ 0 0 2 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.113 94.5 84.7-111.8 18.5 -37.9 7.2 20.2 144 142 A S S < S+ 0 0 4 -3,-1.4 99,-3.4 1,-0.1 2,-0.4 0.535 78.6 59.2-103.9 -11.1 -39.0 9.6 22.9 145 143 A T E +B 242 0B 11 -4,-0.3 -76,-0.2 97,-0.2 -1,-0.1 -0.980 61.5 160.0-129.9 122.6 -41.9 11.6 21.4 146 144 A V E -B 241 0B 9 95,-2.8 95,-4.2 -2,-0.4 2,-0.2 -0.810 41.5 -89.6-133.4 166.4 -45.1 9.9 20.1 147 145 A P E > -B 240 0B 19 0, 0.0 3,-0.8 0, 0.0 93,-0.2 -0.507 28.3-130.9 -74.0 152.2 -48.7 10.6 19.2 148 146 A K T 3 S+ 0 0 133 91,-2.0 3,-0.1 1,-0.2 92,-0.1 0.880 109.3 60.3 -67.4 -38.8 -51.4 10.3 21.9 149 147 A D T 3 S- 0 0 161 90,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.519 114.5-125.7 -66.4 -4.9 -53.6 8.2 19.5 150 148 A G < - 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