==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STEROID-BINDING PROTEIN 19-JUN-12 4FNE . COMPND 2 MOLECULE: STEROID RECEPTOR 2; . SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; . AUTHOR E.A.ORTLUND,J.K.COLUCCI,J.THORNTON,G.EICK,M.HARMS . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 77.3 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 . 9 3.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 1 1 0 0 0 0 1 0 0 1 0 1 0 0 1 0 0 0 0 1 0 1 1 0 0 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 2 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 . 2 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 0 218 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.3 -4.2 14.7 -17.7 2 0 A A - 0 0 73 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.420 360.0 -81.4 -75.2 150.6 -5.1 16.8 -14.5 3 1 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.268 55.9-113.5 -51.5 128.5 -2.5 19.0 -12.6 4 2 A S > - 0 0 42 1,-0.1 4,-1.7 -3,-0.1 5,-0.2 -0.032 20.8-108.0 -63.3 164.2 -0.4 16.8 -10.3 5 3 A L H > S+ 0 0 35 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.962 122.1 55.6 -55.2 -48.2 -0.5 17.0 -6.5 6 4 A I H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.875 102.2 55.3 -55.0 -36.0 3.0 18.6 -6.7 7 5 A S H > S+ 0 0 47 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.956 113.9 41.2 -60.7 -47.2 1.7 21.3 -9.1 8 6 A I H X S+ 0 0 56 -4,-1.7 4,-2.3 -3,-0.3 3,-0.2 0.884 113.2 54.2 -63.3 -43.2 -0.9 22.2 -6.5 9 7 A L H < S+ 0 0 2 -4,-3.1 4,-0.4 1,-0.3 -1,-0.2 0.853 106.7 50.0 -64.8 -36.5 1.5 21.8 -3.6 10 8 A Q H < S+ 0 0 83 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.777 113.2 50.1 -71.0 -23.7 4.0 24.3 -5.1 11 9 A A H < S+ 0 0 80 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.868 111.9 43.2 -83.2 -36.2 1.0 26.6 -5.5 12 10 A I S < S+ 0 0 34 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.348 80.3 129.5 -94.5 6.0 -0.4 26.4 -2.0 13 11 A E - 0 0 53 -4,-0.4 -3,-0.0 -5,-0.2 2,-0.0 -0.445 62.4-119.9 -64.7 125.3 3.0 26.6 -0.4 14 12 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.353 23.0-114.4 -69.2 148.5 2.8 29.4 2.3 15 13 A E - 0 0 181 1,-0.1 2,-0.4 -2,-0.0 31,-0.0 -0.250 45.7 -81.7 -68.4 165.0 5.1 32.4 2.0 16 14 A V - 0 0 59 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.580 43.0-136.1 -79.7 133.2 7.7 32.9 4.7 17 15 A V - 0 0 27 -2,-0.4 2,-0.3 79,-0.2 26,-0.0 -0.611 9.0-140.0 -82.8 141.7 6.4 34.5 7.9 18 16 A Y - 0 0 136 -2,-0.3 24,-0.0 79,-0.2 79,-0.0 -0.799 7.9-142.1 -92.9 148.1 8.4 37.3 9.5 19 17 A A - 0 0 0 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.844 25.1-128.6 -79.9 -35.5 8.6 37.2 13.3 20 18 A G + 0 0 55 1,-0.2 -1,-0.0 18,-0.0 15,-0.0 0.283 54.1 163.8 99.3 -3.2 8.4 40.9 14.0 21 19 A Y - 0 0 14 1,-0.1 2,-0.6 14,-0.1 -1,-0.2 0.070 41.8-134.0 -51.0 147.8 11.5 40.4 16.1 22 20 A D - 0 0 53 1,-0.1 -1,-0.1 4,-0.1 78,-0.0 -0.942 17.0-174.0-103.1 113.5 13.9 43.1 17.4 23 21 A N S S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.534 80.4 64.0 -86.1 -8.7 17.4 41.9 16.8 24 22 A T S S+ 0 0 124 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.873 83.9 86.8 -78.8 -42.3 18.9 44.9 18.6 25 23 A Q S S- 0 0 87 1,-0.1 3,-0.0 6,-0.0 -3,-0.0 -0.342 95.3 -97.3 -55.8 137.8 17.3 43.8 21.9 26 24 A P - 0 0 94 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.049 37.6 -95.8 -56.6 166.4 19.6 41.3 23.8 27 25 A D + 0 0 27 -3,-0.1 2,-0.6 4,-0.1 -4,-0.0 -0.679 53.0 165.6 -93.5 90.8 19.2 37.5 23.6 28 26 A T >> - 0 0 58 -2,-1.2 3,-1.6 1,-0.1 4,-1.6 -0.900 43.1-129.6-118.3 114.0 17.2 36.5 26.7 29 27 A T H 3> S+ 0 0 52 -2,-0.6 4,-1.7 80,-0.4 5,-0.1 0.637 110.6 49.1 -27.5 -33.9 15.7 33.1 26.9 30 28 A N H 3> S+ 0 0 65 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.929 113.2 45.0 -75.9 -48.0 12.4 34.6 27.8 31 29 A Y H <> S+ 0 0 40 -3,-1.6 4,-3.0 2,-0.2 5,-0.2 0.979 115.0 49.3 -58.4 -55.8 12.4 37.2 24.9 32 30 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.936 114.6 42.5 -45.6 -61.0 13.5 34.5 22.5 33 31 A L H X S+ 0 0 14 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.806 113.9 51.5 -64.0 -30.2 10.9 31.9 23.4 34 32 A S H X S+ 0 0 20 -4,-2.2 4,-2.0 2,-0.2 3,-0.2 0.989 112.1 47.7 -65.3 -55.4 8.1 34.6 23.6 35 33 A S H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.855 108.1 54.8 -50.6 -44.8 9.1 35.7 20.2 36 34 A L H X S+ 0 0 27 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.937 108.8 49.2 -55.7 -48.4 9.2 32.1 18.9 37 35 A N H X S+ 0 0 27 -4,-2.0 4,-1.6 2,-0.3 -1,-0.2 0.848 104.4 56.3 -62.7 -36.6 5.6 31.7 20.1 38 36 A R H >X S+ 0 0 93 -4,-2.0 4,-2.0 1,-0.2 3,-1.4 0.993 111.2 46.8 -57.7 -49.2 4.4 34.8 18.5 39 37 A L H 3X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.3 -2,-0.3 0.848 105.3 57.7 -56.9 -43.2 5.8 33.3 15.3 40 38 A A H 3X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.791 107.3 49.8 -60.2 -25.8 4.2 29.9 15.9 41 39 A E H X S- 0 0 1 -4,-0.8 3,-2.4 -3,-0.2 4,-0.5 -0.388 82.9-104.6 -67.3 115.1 -4.4 20.6 0.6 55 53 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.044 100.4 5.2 -49.4 126.7 -6.1 18.3 -2.0 56 54 A G T >4 S+ 0 0 25 -4,-0.1 3,-1.0 -3,-0.1 4,-0.3 0.012 102.3 101.6 91.3 -26.7 -8.5 15.8 -0.3 57 55 A F G X4 S+ 0 0 0 -3,-2.4 3,-1.9 1,-0.3 -5,-0.1 0.900 77.7 53.5 -61.5 -44.9 -8.0 17.3 3.2 58 56 A R G 3< S+ 0 0 173 -4,-0.5 -1,-0.3 -6,-0.4 7,-0.1 0.756 100.0 66.7 -55.1 -26.4 -11.4 19.2 3.1 59 57 A N G < S+ 0 0 124 -3,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.504 84.3 89.4 -78.7 -7.6 -12.9 15.8 2.2 60 58 A L S < S- 0 0 4 -3,-1.9 5,-0.0 -4,-0.3 -4,-0.0 -0.633 96.4 -90.6 -82.7 150.0 -12.0 14.5 5.7 61 59 A H > - 0 0 80 -2,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.303 35.2-117.5 -56.7 144.4 -14.5 15.0 8.5 62 60 A L H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.787 116.0 61.6 -57.0 -31.9 -13.9 18.2 10.4 63 61 A D H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 109.8 40.0 -53.3 -54.9 -13.2 16.1 13.5 64 62 A D H > S+ 0 0 6 -3,-0.4 4,-2.8 2,-0.2 5,-0.4 0.911 111.7 57.3 -63.1 -47.2 -10.3 14.5 11.7 65 63 A Q H X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.950 112.9 39.3 -49.5 -54.1 -9.2 17.8 10.1 66 64 A M H X S+ 0 0 97 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.892 116.0 51.5 -69.0 -38.8 -8.8 19.5 13.5 67 65 A T H X S+ 0 0 17 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.967 110.6 46.5 -57.6 -59.0 -7.3 16.5 15.2 68 66 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.904 115.9 47.1 -49.3 -50.0 -4.6 15.9 12.5 69 67 A I H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.4 -1,-0.2 0.936 109.6 54.1 -57.9 -48.4 -3.8 19.6 12.6 70 68 A Q H < S+ 0 0 27 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 118.4 34.7 -52.5 -43.9 -3.8 19.4 16.4 71 69 A Y H >< S+ 0 0 6 -4,-2.8 3,-0.6 76,-0.2 4,-0.4 0.933 122.4 40.9 -79.1 -44.6 -1.2 16.6 16.3 72 70 A S H 3X S+ 0 0 4 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.637 85.2 93.3 -86.8 -13.8 1.0 17.4 13.3 73 71 A W H 3X S+ 0 0 6 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.727 87.5 49.9 -52.2 -29.3 1.3 21.3 13.7 74 72 A M H <> S+ 0 0 26 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.946 113.1 44.0 -77.7 -48.7 4.5 20.9 15.6 75 73 A G H > S+ 0 0 4 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.913 111.5 55.5 -60.2 -46.4 6.2 18.6 13.2 76 74 A L H X S+ 0 0 7 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.940 111.4 42.8 -49.5 -51.9 5.0 20.7 10.3 77 75 A M H X S+ 0 0 17 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.865 115.7 47.6 -69.7 -34.4 6.6 23.8 11.6 78 76 A A H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.845 114.2 48.0 -72.2 -37.6 9.9 22.1 12.7 79 77 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.963 110.8 48.3 -67.9 -52.5 10.2 20.4 9.3 80 78 A A H X S+ 0 0 16 -4,-2.8 4,-3.1 -5,-0.3 -2,-0.2 0.919 113.6 50.5 -55.5 -37.7 9.5 23.6 7.3 81 79 A M H X S+ 0 0 4 -4,-1.6 4,-2.8 -5,-0.3 14,-0.5 0.853 107.3 52.0 -68.4 -36.1 12.0 25.2 9.5 82 80 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.906 112.4 48.2 -61.4 -40.9 14.5 22.3 8.8 83 81 A W H >X S+ 0 0 22 -4,-3.0 4,-2.2 2,-0.2 3,-0.5 0.970 112.7 45.1 -64.8 -56.7 13.8 23.0 5.2 84 82 A R H 3X S+ 0 0 28 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.905 109.4 55.5 -51.7 -48.9 14.3 26.8 5.4 85 83 A S H 3X S+ 0 0 0 -4,-2.8 6,-2.5 2,-0.2 4,-1.2 0.844 110.3 48.8 -58.6 -29.9 17.5 26.4 7.5 86 84 A Y H < S- 0 0 23 -4,-1.2 3,-2.0 -5,-0.4 4,-0.2 0.180 94.5-118.8-144.7 5.0 21.9 28.9 5.8 90 88 A N T 3< S- 0 0 91 -4,-2.1 -4,-0.3 1,-0.3 -3,-0.1 0.827 73.4 -55.1 54.1 38.0 22.7 25.4 4.6 91 89 A G T 3 S+ 0 0 0 -6,-2.5 -1,-0.3 2,-0.3 33,-0.2 0.331 117.5 103.9 86.7 -8.7 22.1 23.8 8.0 92 90 A Q S < S+ 0 0 134 -3,-2.0 2,-0.3 -7,-0.3 -2,-0.1 0.902 83.5 30.9 -69.6 -42.6 24.4 26.0 10.0 93 91 A M S S- 0 0 84 -8,-0.4 2,-0.7 -4,-0.2 -2,-0.3 -0.804 82.6-112.7-123.0 156.1 21.8 28.2 11.6 94 92 A L E -A 102 0A 0 8,-2.1 8,-2.7 -2,-0.3 2,-1.2 -0.830 27.7-158.8 -93.9 117.4 18.2 27.8 12.6 95 93 A Y E +A 101 0A 28 -2,-0.7 6,-0.2 -14,-0.5 -10,-0.1 -0.652 27.9 158.7-105.8 76.5 16.1 29.9 10.3 96 94 A F E S- 0 0 22 -2,-1.2 -1,-0.2 4,-0.9 5,-0.2 0.938 77.9 -27.8 -62.5 -42.7 12.9 30.4 12.2 97 95 A A E > S-A 100 0A 0 3,-1.0 3,-1.7 -3,-0.2 -1,-0.3 -0.958 70.4 -92.9-166.5 161.4 12.3 33.5 10.0 98 96 A P T 3 S+ 0 0 34 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.783 127.9 40.6 -54.6 -29.8 14.3 36.1 8.1 99 97 A D T 3 S+ 0 0 25 1,-0.2 2,-0.2 -4,-0.0 -81,-0.1 0.405 118.0 48.8 -95.3 -6.0 14.3 38.4 11.2 100 98 A L E < +A 97 0A 0 -3,-1.7 -3,-1.0 2,-0.0 -4,-0.9 -0.606 66.9 157.0-139.4 79.3 14.8 35.7 13.7 101 99 A I E -A 95 0A 46 -3,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.905 31.9-139.6-105.0 120.1 17.7 33.3 12.8 102 100 A F E +A 94 0A 0 -8,-2.7 -8,-2.1 -2,-0.6 2,-0.1 -0.602 23.8 174.1 -77.8 131.4 19.3 31.4 15.7 103 101 A N > - 0 0 66 -2,-0.4 4,-1.2 -10,-0.2 5,-0.2 -0.282 55.3 -70.7-107.1-153.1 23.1 31.0 15.7 104 102 A E H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.912 129.5 53.0 -71.3 -41.7 25.2 29.4 18.4 105 103 A Q H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.893 113.8 42.5 -59.1 -43.2 24.7 32.1 21.0 106 104 A R H > S+ 0 0 27 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.667 107.4 57.8 -85.5 -19.9 21.0 32.0 20.7 107 105 A M H <>S+ 0 0 0 -4,-1.2 5,-0.6 2,-0.2 6,-0.5 0.846 113.4 43.1 -75.3 -32.7 20.6 28.3 20.7 108 106 A Q H ><5S+ 0 0 101 -4,-1.7 3,-1.6 1,-0.2 5,-0.3 0.955 112.4 50.9 -71.4 -52.6 22.4 28.4 24.0 109 107 A Q H 3<5S+ 0 0 83 -4,-2.9 -80,-0.4 1,-0.2 -1,-0.2 0.681 98.3 73.8 -55.7 -16.5 20.4 31.4 25.3 110 108 A S T 3<5S- 0 0 0 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.750 89.5-140.1 -70.9 -28.3 17.2 29.4 24.3 111 109 A A T < 5S+ 0 0 63 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.663 92.5 82.3 60.6 18.4 17.3 26.8 27.1 112 110 A M >>< + 0 0 20 -5,-0.6 3,-4.4 -4,-0.1 4,-1.0 0.247 52.2 138.3-118.7 6.5 16.3 24.3 24.5 113 111 A Y H 3> + 0 0 58 -6,-0.5 4,-2.3 -5,-0.3 5,-0.1 0.585 67.7 51.4 -23.6 -47.3 19.8 23.8 23.2 114 112 A D H 3> S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.742 112.9 47.8 -69.1 -23.5 19.6 20.0 22.9 115 113 A L H <> S+ 0 0 31 -3,-4.4 4,-2.7 2,-0.2 5,-0.2 0.845 107.1 53.5 -84.5 -41.3 16.5 20.5 20.8 116 114 A C H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 3,-0.2 0.985 109.0 52.4 -49.0 -57.7 17.9 23.2 18.6 117 115 A Q H X S+ 0 0 74 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.865 109.1 49.1 -44.6 -48.4 20.7 20.7 18.0 118 116 A G H X S+ 0 0 16 -4,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.915 109.7 49.7 -60.6 -44.9 18.1 18.1 17.0 119 117 A M H X S+ 0 0 10 -4,-2.7 4,-1.8 -3,-0.2 -2,-0.2 0.867 111.4 52.4 -64.1 -33.8 16.3 20.4 14.6 120 118 A Q H X S+ 0 0 26 -4,-2.7 4,-3.9 2,-0.2 5,-0.3 0.936 101.9 55.5 -65.4 -49.1 19.7 21.1 13.2 121 119 A Q H X S+ 0 0 126 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.885 107.6 54.9 -53.0 -31.2 20.5 17.5 12.6 122 120 A I H X S+ 0 0 16 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.927 110.4 41.5 -68.0 -46.0 17.3 17.5 10.7 123 121 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.918 111.0 57.9 -67.6 -41.4 18.4 20.4 8.5 124 122 A Q H X S+ 0 0 79 -4,-3.9 4,-2.9 -33,-0.2 -1,-0.2 0.801 106.7 49.4 -55.8 -32.0 21.8 18.8 8.2 125 123 A E H X S+ 0 0 58 -4,-1.6 4,-3.6 -5,-0.3 5,-0.3 0.907 106.0 54.2 -69.8 -47.3 20.1 15.7 6.8 126 124 A F H X>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 4,-0.6 0.927 114.5 44.2 -48.8 -43.8 18.2 17.8 4.4 127 125 A V H ><5S+ 0 0 30 -4,-2.6 3,-0.9 2,-0.2 -2,-0.2 0.931 112.6 48.7 -67.8 -50.5 21.7 19.0 3.4 128 126 A R H 3<5S+ 0 0 152 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.935 118.7 40.9 -55.4 -44.9 23.3 15.5 3.4 129 127 A L H 3<5S- 0 0 8 -4,-3.6 -1,-0.3 -5,-0.1 -2,-0.2 0.523 100.1-135.0 -81.6 -9.6 20.5 14.2 1.2 130 128 A Q T <<5 - 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