==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STEROID-BINDING PROTEIN 19-JUN-12 4FN9 . COMPND 2 MOLECULE: STEROID RECEPTOR 2; . SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; . AUTHOR J.K.COLUCCI,E.A.ORTLUND,J.W.THORNTON . 499 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 77.8 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 . 16 3.2 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 0.4 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 . 17 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 0 2 0 0 0 2 0 0 1 1 2 0 0 1 0 1 0 0 2 0 0 2 0 2 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 1 3 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 N 0 0 223 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.5 -8.9 14.8 17.6 2 0 A A - 0 0 70 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.646 360.0 -75.0 -88.0 144.2 -7.9 16.8 14.5 3 1 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.089 57.5 -95.5 -47.4 140.3 -10.6 18.9 12.7 4 2 A S > - 0 0 43 1,-0.1 4,-1.7 -3,-0.1 5,-0.2 -0.167 17.7-130.0 -58.1 142.3 -13.2 17.2 10.5 5 3 A L H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.944 115.2 53.3 -52.7 -44.4 -12.6 16.8 6.8 6 4 A I H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 102.9 55.2 -65.0 -30.7 -16.1 18.2 6.6 7 5 A S H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.825 109.9 46.8 -73.4 -28.4 -15.3 21.2 8.8 8 6 A I H X S+ 0 0 55 -4,-1.7 4,-2.5 -3,-0.4 5,-0.2 0.920 107.8 56.9 -70.9 -46.0 -12.4 22.1 6.4 9 7 A L H X S+ 0 0 3 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.926 108.8 46.1 -50.6 -48.9 -14.8 21.6 3.5 10 8 A Q H >< S+ 0 0 71 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.888 110.4 53.7 -59.7 -43.1 -17.1 24.1 4.9 11 9 A A H 3< S+ 0 0 80 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 112.8 42.0 -56.3 -46.4 -14.3 26.6 5.6 12 10 A I H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 41,-0.1 -2,-0.2 0.377 80.1 129.0 -93.3 3.6 -13.0 26.5 2.1 13 11 A E << - 0 0 58 -3,-0.7 -3,-0.0 -4,-0.6 124,-0.0 -0.388 64.5-113.0 -59.6 129.7 -16.3 26.7 0.3 14 12 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.306 23.3-117.9 -64.6 147.1 -16.2 29.5 -2.2 15 13 A E - 0 0 159 1,-0.1 2,-0.0 -3,-0.1 31,-0.0 -0.484 48.6 -81.5 -74.8 157.9 -18.4 32.5 -1.8 16 14 A V - 0 0 67 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.327 43.0-132.6 -67.2 144.0 -20.9 33.1 -4.5 17 15 A V - 0 0 26 79,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.766 9.0-140.0 -95.8 136.2 -19.8 34.7 -7.8 18 16 A Y - 0 0 136 -2,-0.4 24,-0.1 79,-0.2 79,-0.0 -0.776 2.7-150.1 -89.7 145.0 -21.7 37.5 -9.5 19 17 A A - 0 0 10 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.783 28.4-130.5 -79.5 -30.5 -22.0 37.5 -13.3 20 18 A G + 0 0 57 1,-0.2 2,-0.2 19,-0.0 -2,-0.0 0.823 46.9 172.2 75.8 38.6 -22.1 41.3 -13.7 21 19 A Y - 0 0 17 1,-0.1 2,-0.8 2,-0.0 -1,-0.2 -0.510 37.9-135.5 -87.1 143.1 -25.2 40.9 -15.9 22 20 A D > - 0 0 63 -2,-0.2 3,-1.2 1,-0.1 -1,-0.1 -0.852 19.1-173.7 -94.1 107.9 -27.3 43.7 -17.2 23 21 A N T 3 S+ 0 0 70 -2,-0.8 -1,-0.1 1,-0.3 4,-0.0 0.545 78.0 70.7 -82.7 -6.4 -30.9 42.4 -16.7 24 22 A T T 3 S+ 0 0 118 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.622 81.4 97.3 -83.0 -17.7 -32.4 45.3 -18.5 25 23 A Q S < S- 0 0 82 -3,-1.2 2,-0.1 1,-0.1 -4,-0.0 -0.197 89.5 -98.6 -59.7 160.4 -31.0 43.8 -21.6 26 24 A P - 0 0 78 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.501 39.2-105.5 -75.9 157.8 -33.3 41.6 -23.8 27 25 A D + 0 0 31 -2,-0.1 2,-0.4 -3,-0.1 -4,-0.0 -0.764 57.1 161.1 -92.0 108.8 -33.0 37.9 -23.3 28 26 A T > - 0 0 36 -2,-0.9 4,-3.1 1,-0.1 5,-0.3 -0.975 49.2-117.8-136.4 140.7 -31.2 36.7 -26.4 29 27 A T H > S+ 0 0 53 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.791 111.7 42.2 -47.0 -39.8 -29.2 33.5 -27.2 30 28 A N H > S+ 0 0 75 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.933 116.7 43.7 -80.4 -42.5 -25.9 35.2 -27.8 31 29 A Y H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 116.4 50.5 -69.1 -37.3 -26.0 37.7 -24.9 32 30 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.982 114.6 41.2 -60.9 -57.8 -27.2 34.9 -22.6 33 31 A L H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.915 114.8 52.1 -58.6 -41.4 -24.6 32.4 -23.6 34 32 A S H X S+ 0 0 9 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.920 108.4 51.0 -62.6 -42.2 -21.8 35.0 -23.6 35 33 A S H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.820 108.1 52.2 -65.4 -32.7 -22.8 36.1 -20.1 36 34 A L H X S+ 0 0 23 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.891 106.7 54.1 -67.1 -40.4 -22.6 32.5 -18.9 37 35 A N H X S+ 0 0 24 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.826 106.4 51.0 -66.9 -30.6 -19.2 32.2 -20.3 38 36 A R H X S+ 0 0 102 -4,-1.6 4,-1.9 2,-0.2 3,-0.4 0.951 112.2 47.4 -66.3 -47.3 -18.1 35.2 -18.4 39 37 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.3 5,-0.3 0.852 107.1 57.3 -58.5 -37.8 -19.5 33.7 -15.3 40 38 A A H X S+ 0 0 14 -4,-2.7 4,-2.0 2,-0.2 -1,-0.3 0.864 105.5 51.3 -66.0 -31.0 -17.8 30.4 -16.1 41 39 A E H X S+ 0 0 42 -4,-1.3 4,-1.6 -3,-0.4 -2,-0.2 0.974 110.3 46.4 -69.3 -51.5 -14.5 32.2 -16.2 42 40 A K H X S+ 0 0 88 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.873 115.9 46.2 -55.9 -43.1 -15.0 33.9 -12.8 43 41 A Q H X S+ 0 0 20 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.871 104.3 64.0 -67.1 -36.6 -16.1 30.6 -11.3 44 42 A L H X S+ 0 0 12 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.893 101.5 49.7 -55.0 -41.0 -13.2 28.8 -13.0 45 43 A V H X S+ 0 0 63 -4,-1.6 4,-1.7 1,-0.2 3,-0.2 0.936 114.1 43.0 -67.6 -45.2 -10.7 30.8 -10.9 46 44 A S H X S+ 0 0 26 -4,-1.4 4,-3.1 1,-0.2 -2,-0.2 0.877 107.0 61.1 -70.8 -36.1 -12.4 30.1 -7.6 47 45 A V H X S+ 0 0 18 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.878 108.2 45.5 -53.2 -37.7 -13.0 26.4 -8.5 48 46 A V H X S+ 0 0 52 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.876 110.3 51.4 -77.7 -36.3 -9.2 26.1 -8.8 49 47 A K H X S+ 0 0 154 -4,-1.7 4,-2.1 1,-0.2 3,-0.3 0.967 111.2 51.8 -57.1 -50.7 -8.5 28.0 -5.6 50 48 A W H X S+ 0 0 11 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.856 106.9 50.7 -50.6 -47.7 -11.0 25.6 -4.0 51 49 A A H < S+ 0 0 1 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.845 107.7 52.9 -69.0 -35.3 -9.2 22.4 -5.3 52 50 A K H < S+ 0 0 85 -4,-1.9 6,-0.5 -3,-0.3 5,-0.2 0.967 110.2 47.7 -58.9 -51.8 -5.8 23.5 -4.0 53 51 A A H < S+ 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.600 88.4 110.6 -66.6 -12.9 -7.3 24.0 -0.6 54 52 A L S >X S- 0 0 3 -4,-0.6 3,-2.0 -3,-0.3 4,-0.6 -0.538 81.4-110.8 -69.2 122.6 -8.9 20.6 -0.9 55 53 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.324 98.7 12.9 -62.2 129.0 -7.2 18.3 1.5 56 54 A G T 34 S+ 0 0 26 -4,-0.1 106,-0.1 -2,-0.1 -3,-0.1 0.361 102.1 100.7 88.5 -4.6 -5.1 15.6 -0.1 57 55 A F T X4 S+ 0 0 0 -3,-2.0 3,-2.2 -5,-0.2 -5,-0.1 0.935 74.8 51.3 -78.3 -48.2 -5.3 17.4 -3.5 58 56 A R T 3< S+ 0 0 162 -4,-0.6 -1,-0.2 -6,-0.5 4,-0.1 0.643 100.9 68.4 -67.0 -11.2 -1.9 19.1 -3.6 59 57 A N T 3 S+ 0 0 115 2,-0.1 -1,-0.3 3,-0.0 2,-0.3 0.471 82.8 91.5 -83.9 -7.6 -0.4 15.7 -2.8 60 58 A L S < S- 0 0 5 -3,-2.2 5,-0.1 1,-0.1 96,-0.1 -0.657 97.9 -88.4 -84.4 147.5 -1.4 14.4 -6.2 61 59 A H > - 0 0 82 -2,-0.3 4,-2.0 94,-0.2 3,-0.5 -0.243 39.4-117.5 -53.4 144.2 1.0 14.7 -9.0 62 60 A L H > S+ 0 0 115 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.673 114.4 55.8 -67.5 -17.1 0.7 18.1 -10.7 63 61 A D H > S+ 0 0 62 2,-0.2 4,-2.8 3,-0.1 -1,-0.3 0.879 107.3 50.6 -77.9 -37.9 -0.3 16.6 -14.0 64 62 A D H > S+ 0 0 6 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.901 108.5 52.3 -60.9 -45.5 -3.1 14.7 -12.2 65 63 A Q H X S+ 0 0 9 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.928 113.9 42.7 -55.3 -48.5 -4.3 18.0 -10.6 66 64 A M H X S+ 0 0 78 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.898 115.9 49.3 -68.2 -40.8 -4.4 19.7 -14.0 67 65 A T H X S+ 0 0 16 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.989 109.5 49.4 -61.3 -59.3 -6.0 16.7 -15.7 68 66 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.853 111.1 50.5 -50.5 -44.5 -8.8 16.2 -13.1 69 67 A I H X S+ 0 0 20 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.3 0.961 106.6 53.0 -60.5 -51.4 -9.8 19.8 -13.2 70 68 A Q H < S+ 0 0 24 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.862 114.9 44.6 -53.0 -39.3 -10.0 20.0 -17.0 71 69 A Y H >< S+ 0 0 11 -4,-2.1 3,-0.5 -5,-0.2 4,-0.3 0.975 123.0 30.5 -67.5 -55.4 -12.4 17.0 -16.8 72 70 A S H 3X S+ 0 0 7 -4,-2.8 4,-2.9 75,-0.2 5,-0.3 0.521 86.3 99.0 -91.8 -3.7 -14.6 17.9 -13.9 73 71 A W H 3X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.874 89.3 47.5 -50.7 -40.6 -14.7 21.8 -14.2 74 72 A M H <> S+ 0 0 30 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.3 0.901 112.7 47.3 -66.7 -43.4 -18.0 21.5 -16.0 75 73 A G H > S+ 0 0 6 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.873 109.8 52.3 -70.6 -38.3 -19.6 19.1 -13.5 76 74 A L H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.957 112.1 45.5 -61.2 -49.1 -18.5 21.0 -10.4 77 75 A M H X S+ 0 0 12 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.899 117.5 43.3 -61.5 -41.0 -20.0 24.3 -11.7 78 76 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.834 113.5 51.2 -78.8 -31.6 -23.2 22.6 -12.8 79 77 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 3,-0.3 0.984 113.3 45.2 -63.0 -57.9 -23.5 20.6 -9.6 80 78 A A H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.860 109.6 57.4 -50.1 -41.3 -23.0 23.7 -7.5 81 79 A M H X S+ 0 0 4 -4,-2.0 4,-2.4 -5,-0.3 14,-0.4 0.931 105.1 49.0 -61.8 -44.6 -25.5 25.5 -9.7 82 80 A G H X S+ 0 0 0 -4,-1.9 4,-1.2 -3,-0.3 -1,-0.2 0.783 109.0 54.4 -65.7 -27.6 -28.2 23.0 -9.0 83 81 A W H X S+ 0 0 28 -4,-1.5 4,-3.0 2,-0.2 3,-0.5 0.958 109.7 45.5 -68.9 -51.9 -27.5 23.3 -5.3 84 82 A R H X>S+ 0 0 30 -4,-2.5 4,-3.3 1,-0.2 5,-0.6 0.881 109.8 56.0 -53.3 -42.3 -27.9 27.1 -5.5 85 83 A S H X5S+ 0 0 0 -4,-2.4 6,-3.2 -5,-0.2 4,-0.8 0.815 110.6 45.1 -65.7 -28.6 -31.1 26.5 -7.5 86 84 A Y H X5S+ 0 0 17 -4,-1.2 4,-1.0 -3,-0.5 -2,-0.2 0.927 116.4 44.9 -74.7 -48.6 -32.4 24.3 -4.7 87 85 A K H <5S+ 0 0 111 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.896 128.5 23.2 -65.6 -46.1 -31.4 26.7 -2.0 88 86 A H H <5S+ 0 0 114 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.834 137.8 23.3 -89.1 -42.5 -32.6 30.0 -3.6 89 87 A T H ><> - 0 0 68 -2,-0.7 4,-1.8 -10,-0.2 3,-0.6 -0.452 54.7 -77.1 -94.2-177.9 -36.6 31.6 -15.6 104 102 A E H 3> S+ 0 0 88 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.873 131.2 49.9 -50.0 -48.9 -38.7 29.8 -18.2 105 103 A Q H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.850 108.3 52.4 -60.6 -39.6 -38.3 32.4 -20.9 106 104 A R H <> S+ 0 0 23 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.849 105.7 54.2 -69.1 -31.1 -34.5 32.6 -20.5 107 105 A M H < S+ 0 0 3 -4,-1.8 4,-0.5 -3,-0.2 6,-0.4 0.809 109.0 51.6 -70.5 -26.8 -34.3 28.8 -20.9 108 106 A Q H >< S+ 0 0 94 -4,-1.3 3,-1.2 -5,-0.2 5,-0.3 0.967 114.3 39.2 -67.0 -57.2 -36.2 29.3 -24.1 109 107 A Q H 3< S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.751 100.0 77.8 -64.7 -24.5 -33.8 32.0 -25.5 110 108 A S T 3< S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.835 87.2-147.8 -51.6 -34.2 -30.8 30.1 -24.1 111 109 A A S < S+ 0 0 59 -3,-1.2 -1,-0.1 -4,-0.5 -2,-0.1 0.619 86.2 85.1 60.2 14.7 -31.2 27.8 -27.1 112 110 A M >> + 0 0 21 -5,-0.4 3,-3.1 1,-0.1 4,-1.9 0.069 52.5 138.0-108.2 13.8 -29.9 25.1 -24.7 113 111 A Y H 3> + 0 0 60 -6,-0.4 4,-2.3 1,-0.3 5,-0.1 0.684 65.8 50.8 -41.9 -40.1 -33.4 24.5 -23.4 114 112 A D H 3> S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.773 114.5 46.7 -70.6 -23.9 -33.3 20.7 -23.2 115 113 A L H <> S+ 0 0 35 -3,-3.1 4,-2.5 2,-0.2 5,-0.3 0.831 106.9 56.5 -79.9 -37.2 -30.1 21.1 -21.2 116 114 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.943 108.3 48.8 -57.0 -44.8 -31.7 23.7 -19.1 117 115 A Q H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.920 107.6 54.9 -57.0 -47.3 -34.3 21.1 -18.2 118 116 A G H X S+ 0 0 16 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.906 111.8 42.9 -53.8 -44.9 -31.6 18.6 -17.5 119 117 A M H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.827 109.3 57.5 -72.9 -32.3 -30.0 20.9 -15.0 120 118 A Q H X S+ 0 0 20 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.816 104.5 54.0 -66.8 -28.3 -33.4 21.9 -13.6 121 119 A Q H X S+ 0 0 111 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.788 102.2 57.0 -75.6 -28.3 -33.9 18.2 -12.9 122 120 A I H >X S+ 0 0 13 -4,-1.0 4,-1.4 2,-0.2 3,-0.8 0.975 110.0 43.8 -64.0 -49.8 -30.7 18.0 -11.0 123 121 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.3 3,-0.4 0.923 108.0 58.4 -60.5 -45.3 -31.8 20.7 -8.6 124 122 A Q H 3X S+ 0 0 74 -4,-1.9 4,-2.1 -33,-0.3 -1,-0.3 0.768 104.1 53.8 -54.2 -28.3 -35.3 19.1 -8.3 125 123 A E H S+ 0 0 0 -4,-1.4 5,-1.5 -3,-0.4 4,-0.7 0.852 112.0 44.2 -56.4 -36.9 -31.8 18.1 -4.4 127 125 A V H <5S+ 0 0 33 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.888 111.5 50.7 -81.9 -36.8 -35.2 19.2 -3.2 128 126 A R H <5S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 119.3 39.8 -61.2 -41.0 -36.8 15.7 -3.4 129 127 A L H <5S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.582 98.0-139.2 -85.1 -11.8 -33.8 14.5 -1.4 130 128 A Q T <5 - 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