==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 28-APR-10 3MQP . COMPND 2 MOLECULE: BCL-2-RELATED PROTEIN A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GUAN,R.XIAO,L.ZHAO,T.B.ACTON,C.GELINAS,G.T.MONTELIONE,NORT . 175 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 75.4 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 2 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 1 0 1 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.8 22.2 -14.9 -8.2 2 3 A D + 0 0 35 137,-0.0 3,-0.1 136,-0.0 4,-0.1 -0.862 360.0 39.8-176.0 150.7 20.9 -16.6 -5.0 3 4 A C S S+ 0 0 43 1,-0.3 2,-0.2 -2,-0.3 131,-0.1 0.503 90.9 119.3 75.3 3.7 21.9 -16.4 -1.4 4 5 A E S > S- 0 0 100 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.664 79.8-110.9-100.9 157.5 22.5 -12.6 -1.9 5 6 A F H > S+ 0 0 60 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.890 116.5 55.0 -52.1 -43.7 20.7 -9.8 -0.1 6 7 A G H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 108.4 46.8 -58.4 -43.9 18.9 -8.8 -3.3 7 8 A Y H > S+ 0 0 35 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.899 115.2 45.8 -66.0 -43.4 17.4 -12.3 -3.8 8 9 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.873 111.2 53.0 -69.7 -37.1 16.3 -12.6 -0.2 9 10 A Y H X S+ 0 0 56 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.893 108.0 51.0 -63.1 -41.3 14.9 -9.1 -0.2 10 11 A R H X S+ 0 0 98 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.6 49.5 -65.5 -37.2 12.8 -9.9 -3.3 11 12 A L H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.925 112.8 45.9 -64.1 -46.7 11.5 -13.1 -1.5 12 13 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.850 114.6 48.3 -67.3 -33.9 10.6 -11.1 1.6 13 14 A Q H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.905 109.0 53.0 -73.0 -43.2 8.9 -8.4 -0.5 14 15 A D H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.913 108.1 51.3 -56.7 -43.9 7.0 -11.0 -2.6 15 16 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.878 109.6 49.0 -65.6 -37.3 5.6 -12.5 0.6 16 17 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.904 109.8 51.2 -66.7 -41.6 4.4 -9.2 1.9 17 18 A Q H X>S+ 0 0 7 -4,-2.3 5,-2.4 2,-0.2 4,-0.8 0.873 111.4 49.4 -62.2 -37.3 2.7 -8.3 -1.3 18 19 A C H <5S+ 0 0 51 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.922 111.8 47.0 -67.3 -46.0 1.0 -11.6 -1.3 19 20 A V H <5S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.1 43.6 -59.8 -44.1 -0.2 -11.2 2.3 20 21 A L H <5S- 0 0 50 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.567 108.7-126.9 -80.0 -11.6 -1.4 -7.6 1.6 21 22 A Q T <5 + 0 0 173 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.907 57.5 144.4 62.3 45.1 -3.0 -8.7 -1.7 22 23 A I < - 0 0 64 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.948 50.6-116.6-110.4 138.4 -1.3 -6.1 -3.9 23 24 A P - 0 0 115 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.536 27.2-174.0 -79.0 132.4 -0.3 -7.2 -7.4 24 25 A Q + 0 0 90 -2,-0.3 4,-0.2 -10,-0.1 -2,-0.0 -0.858 5.8 179.4-127.6 99.2 3.3 -7.3 -8.4 25 26 A P + 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.572 31.7 135.8 -63.3-135.7 4.0 -8.0 -12.1 26 27 A G S S- 0 0 60 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.674 107.1 -59.3 86.5 22.5 7.6 -8.1 -13.4 27 28 A S S S- 0 0 136 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.510 102.5 -67.6 79.2 8.3 6.5 -11.3 -15.3 28 29 A G - 0 0 25 -4,-0.2 2,-0.1 -3,-0.1 0, 0.0 -0.091 63.7 -55.7 105.6 161.3 5.6 -13.1 -12.1 29 30 A P - 0 0 39 0, 0.0 -18,-0.0 0, 0.0 -3,-0.0 -0.410 58.5-105.7 -70.9 149.0 7.1 -14.6 -8.9 30 31 A S > - 0 0 50 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.188 30.7-106.1 -66.8 166.7 9.8 -17.2 -9.1 31 32 A K H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.890 123.2 53.9 -60.7 -40.4 9.1 -20.9 -8.4 32 33 A T H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.952 109.2 46.8 -56.9 -52.8 11.0 -20.5 -5.1 33 34 A S H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.898 110.9 52.3 -57.3 -44.2 8.7 -17.5 -4.1 34 35 A R H X S+ 0 0 148 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.916 111.9 45.4 -61.7 -44.4 5.6 -19.4 -5.1 35 36 A V H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.898 116.4 46.8 -63.7 -41.9 6.5 -22.4 -3.0 36 37 A L H X S+ 0 0 1 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.913 106.9 55.1 -66.8 -46.0 7.5 -20.2 -0.1 37 38 A Q H X S+ 0 0 37 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.874 110.8 49.0 -56.5 -36.4 4.3 -18.0 -0.2 38 39 A N H X S+ 0 0 128 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.949 117.5 35.7 -69.5 -51.4 2.3 -21.1 0.1 39 40 A V H X S+ 0 0 16 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.880 116.5 53.0 -74.5 -38.3 4.1 -22.8 3.0 40 41 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 3,-0.2 0.928 108.3 50.5 -62.6 -44.3 4.8 -19.5 4.9 41 42 A F H X S+ 0 0 85 -4,-1.5 4,-2.2 -5,-0.4 -1,-0.2 0.899 106.4 56.5 -60.9 -39.0 1.2 -18.5 4.8 42 43 A S H X S+ 0 0 56 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.873 111.3 42.9 -57.6 -38.9 0.2 -21.9 6.1 43 44 A V H X S+ 0 0 11 -4,-1.6 4,-2.7 -3,-0.2 5,-0.3 0.874 109.4 57.6 -75.2 -38.1 2.5 -21.3 9.2 44 45 A Q H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 103.8 52.9 -57.7 -44.1 1.3 -17.7 9.6 45 46 A K H X S+ 0 0 92 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.889 113.8 41.9 -61.5 -40.4 -2.3 -18.8 10.0 46 47 A E H X S+ 0 0 77 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.902 115.1 48.6 -75.1 -42.0 -1.5 -21.3 12.7 47 48 A V H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.878 107.2 58.1 -65.9 -36.8 0.9 -19.1 14.6 48 49 A E H < S+ 0 0 48 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.920 109.3 42.2 -58.4 -47.6 -1.6 -16.1 14.5 49 50 A K H >< S+ 0 0 115 -4,-1.3 3,-0.6 1,-0.2 4,-0.3 0.853 116.0 48.2 -70.9 -35.6 -4.3 -18.0 16.3 50 51 A N H 3< S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 119.2 39.4 -74.9 -22.3 -2.0 -19.6 18.9 51 52 A L T 3X S+ 0 0 2 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.182 83.8 114.2-112.2 14.4 -0.3 -16.3 19.6 52 53 A K H <> S+ 0 0 130 -3,-0.6 4,-1.5 1,-0.2 -1,-0.1 0.903 74.9 44.3 -57.4 -55.5 -3.5 -14.2 19.5 53 54 A S H >> S+ 0 0 91 -4,-0.3 4,-0.6 1,-0.2 3,-0.5 0.939 113.0 51.7 -56.7 -50.8 -3.8 -13.0 23.1 54 55 A C H >4 S+ 0 0 13 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.863 108.7 51.3 -54.3 -41.5 -0.1 -12.2 23.4 55 56 A L H >< S+ 0 0 18 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.782 97.0 65.3 -72.9 -28.7 -0.1 -10.0 20.3 56 57 A D H << S+ 0 0 95 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.736 95.1 64.7 -61.6 -19.8 -3.1 -8.0 21.4 57 58 A N T << S+ 0 0 110 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.257 95.5 64.2 -92.4 10.3 -0.8 -6.7 24.1 58 59 A V < - 0 0 36 -3,-1.7 2,-0.7 96,-0.1 0, 0.0 -1.000 69.2-147.8-132.9 138.6 1.6 -5.0 21.8 59 60 A N - 0 0 101 -2,-0.4 2,-1.8 46,-0.0 3,-0.1 -0.884 2.1-159.1-108.8 105.1 0.9 -2.0 19.5 60 61 A V + 0 0 0 -2,-0.7 45,-0.3 1,-0.2 44,-0.1 -0.579 31.5 156.3 -81.5 82.6 2.9 -2.1 16.3 61 62 A V + 0 0 46 -2,-1.8 46,-2.3 45,-0.1 47,-0.5 0.491 56.4 15.4 -94.2 -5.1 2.5 1.6 15.8 62 63 A S S > S- 0 0 36 44,-0.2 4,-2.1 -3,-0.1 5,-0.1 -0.989 76.6-102.8-162.4 163.8 5.5 2.3 13.6 63 64 A V H > S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.785 119.4 56.0 -60.9 -29.7 8.2 0.7 11.4 64 65 A D H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 107.6 46.8 -72.8 -40.5 10.7 1.2 14.2 65 66 A T H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 112.1 52.0 -65.7 -40.3 8.6 -0.8 16.7 66 67 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.940 112.1 46.0 -58.9 -48.8 8.2 -3.5 14.0 67 68 A R H X S+ 0 0 73 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.948 115.1 45.2 -61.3 -51.9 11.9 -3.7 13.5 68 69 A T H X S+ 0 0 68 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.935 115.6 47.0 -58.8 -48.0 12.8 -3.7 17.2 69 70 A L H X S+ 0 0 19 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.913 113.2 49.6 -60.9 -43.5 10.1 -6.3 18.0 70 71 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.947 112.6 46.9 -61.2 -50.1 11.2 -8.4 15.0 71 72 A N H X S+ 0 0 64 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.907 112.8 48.6 -59.6 -45.4 14.8 -8.3 16.1 72 73 A Q H X S+ 0 0 80 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.936 116.0 43.9 -60.5 -46.5 14.1 -9.1 19.7 73 74 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.923 114.4 48.2 -65.3 -46.6 11.8 -12.0 18.7 74 75 A M H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.854 109.3 54.7 -64.3 -35.6 14.2 -13.4 16.1 75 76 A E H < S+ 0 0 118 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.922 111.3 43.1 -64.8 -46.5 17.1 -13.2 18.5 76 77 A K H >< S+ 0 0 59 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.899 112.1 54.7 -65.0 -40.2 15.4 -15.3 21.1 77 78 A E H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.848 119.5 31.8 -62.0 -34.1 14.1 -17.8 18.6 78 79 A F T >< S+ 0 0 22 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.230 85.3 105.9-110.1 11.7 17.6 -18.4 17.2 79 80 A E T < S+ 0 0 124 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.703 70.7 67.4 -68.5 -19.0 19.7 -17.9 20.4 80 81 A D T 3 S- 0 0 63 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.501 109.9-118.7 -80.0 -4.6 20.2 -21.7 20.7 81 82 A G S < S+ 0 0 65 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.536 70.2 133.0 81.0 5.9 22.3 -21.7 17.5 82 83 A I + 0 0 85 2,-0.0 2,-0.4 5,-0.0 -1,-0.3 -0.761 29.9 179.4 -93.8 136.1 20.0 -24.0 15.6 83 84 A I + 0 0 38 -2,-0.4 2,-0.3 -3,-0.1 3,-0.0 -1.000 10.1 149.1-134.7 135.0 18.9 -23.2 12.1 84 85 A N > - 0 0 18 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.969 56.3 -98.1-155.0 169.1 16.7 -25.2 9.7 85 86 A W H > S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.860 120.0 56.9 -60.6 -38.9 14.2 -24.6 6.8 86 87 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.934 110.2 44.9 -54.4 -47.9 11.2 -24.8 9.1 87 88 A R H > S+ 0 0 2 -3,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.845 111.0 52.8 -65.4 -37.2 12.6 -22.0 11.3 88 89 A I H >X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 3,-0.7 0.875 105.2 55.9 -68.4 -36.9 13.5 -19.9 8.3 89 90 A V H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.7 0.887 101.0 58.5 -58.6 -40.1 10.0 -20.3 7.0 90 91 A T H 3X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.3 -1,-0.2 0.717 93.9 66.1 -67.6 -21.4 8.7 -18.8 10.4 91 92 A I H - 0 0 88 1,-0.1 3,-0.9 -2,-0.0 4,-0.2 -0.970 22.1-151.2-120.3 129.7 3.1 5.0 4.8 111 112 A V T 3 S+ 0 0 126 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.394 95.0 54.3 -86.7 5.2 2.4 3.0 1.6 112 113 A D T >> S+ 0 0 90 1,-0.1 3,-3.0 2,-0.1 4,-0.7 0.404 73.4 107.1-110.3 -2.9 6.0 1.9 1.2 113 114 A T H X> + 0 0 14 -3,-0.9 4,-2.3 1,-0.3 3,-1.5 0.823 69.7 63.8 -47.6 -41.8 6.4 0.4 4.6 114 115 A Y H 3> S+ 0 0 22 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.613 98.0 58.7 -63.4 -10.6 6.4 -3.2 3.4 115 116 A K H <> S+ 0 0 56 -3,-3.0 4,-0.9 2,-0.2 -1,-0.3 0.772 107.6 44.5 -82.4 -31.7 9.6 -2.3 1.5 116 117 A E H S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.8 0.907 112.8 49.5 -60.2 -42.1 18.2 -13.6 7.4 126 127 A M H X5S+ 0 0 59 -4,-2.9 4,-1.2 1,-0.2 5,-0.3 0.963 114.8 40.3 -59.7 -56.3 21.4 -12.6 5.7 127 128 A N H <5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.683 126.6 32.0 -71.1 -20.6 23.5 -12.0 8.8 128 129 A N H <5S+ 0 0 85 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.637 134.3 15.8-115.6 -17.4 22.2 -15.0 10.8 129 130 A T H X5S+ 0 0 2 -4,-1.9 4,-3.3 -5,-0.3 5,-0.2 0.415 90.5 102.0-137.7 -7.0 21.4 -17.8 8.4 130 131 A G H X S+ 0 0 143 -5,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.945 114.6 48.7 -67.3 -48.0 26.0 -19.2 5.7 132 133 A W H > S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.913 110.1 52.3 -55.7 -45.4 23.7 -22.0 6.8 133 134 A I H ><>S+ 0 0 1 -4,-3.3 5,-2.7 1,-0.2 3,-0.6 0.921 110.5 48.4 -57.6 -45.8 21.4 -21.4 3.8 134 135 A R H ><5S+ 0 0 142 -4,-2.0 3,-1.8 -5,-0.2 -2,-0.2 0.954 109.6 50.6 -58.6 -53.6 24.4 -21.6 1.4 135 136 A Q H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.644 109.6 55.0 -62.2 -14.7 25.8 -24.9 2.9 136 137 A N T <<5S- 0 0 70 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.125 129.2 -84.5-112.0 23.3 22.4 -26.4 2.6 137 138 A G T <>> - 0 0 33 -3,-1.8 4,-1.5 5,-0.1 5,-0.5 0.463 59.3-114.9 98.2 3.0 21.7 -25.9 -1.1 138 139 A G H >X - 0 0 3 -5,-2.7 5,-1.7 3,-0.2 4,-0.6 -0.188 57.5 -47.5 64.7-159.2 20.4 -22.3 -1.1 139 140 A W H 4>S+ 0 0 0 3,-0.2 5,-3.0 2,-0.2 6,-0.2 0.938 137.6 38.0 -76.4 -47.9 16.8 -21.5 -2.1 140 141 A E H 45S+ 0 0 99 1,-0.2 5,-0.2 3,-0.2 -2,-0.2 0.788 128.5 31.4 -78.3 -29.0 16.5 -23.5 -5.4 141 142 A N H <5S+ 0 0 121 -4,-1.5 -3,-0.2 3,-0.1 -1,-0.2 0.452 133.9 26.7-107.9 -2.7 18.5 -26.6 -4.3 142 143 A G T X + 0 0 147 2,-0.1 4,-2.6 3,-0.1 5,-0.1 0.530 360.0 65.7-100.1 -11.8 7.6 -12.3 28.2 154 21 B L H > S+ 0 0 37 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.890 102.5 44.6 -78.2 -42.0 5.9 -11.3 25.0 155 22 B E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.835 118.5 46.0 -68.3 -32.1 9.0 -11.5 22.8 156 23 B V H > S+ 0 0 61 -4,-0.3 4,-3.0 2,-0.2 5,-0.3 0.934 111.9 49.4 -73.6 -47.0 9.9 -14.7 24.6 157 24 B E H X S+ 0 0 73 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.886 115.7 45.8 -57.4 -40.5 6.4 -16.1 24.2 158 25 B C H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.956 114.7 45.5 -64.7 -52.9 6.6 -15.2 20.5 159 26 B A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.887 112.3 51.0 -61.5 -42.0 10.1 -16.6 19.9 160 27 B T H X S+ 0 0 55 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.869 112.7 45.7 -64.8 -39.8 9.4 -19.8 21.7 161 28 B Q H X S+ 0 0 46 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.875 113.4 48.5 -72.8 -40.5 6.2 -20.5 19.8 162 29 B L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.908 111.4 52.3 -62.8 -41.9 7.7 -19.6 16.4 163 30 B R H X S+ 0 0 53 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.942 110.0 46.6 -59.8 -50.2 10.7 -21.9 17.3 164 31 B R H X S+ 0 0 145 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 114.6 46.8 -61.7 -43.0 8.4 -24.9 18.1 165 32 B F H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.929 111.8 52.9 -62.0 -45.7 6.4 -24.4 15.0 166 33 B G H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.928 112.5 43.1 -54.1 -50.3 9.6 -24.0 13.0 167 34 B D H X S+ 0 0 47 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.876 113.3 51.6 -66.7 -39.1 11.0 -27.3 14.3 168 35 B K H X S+ 0 0 107 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.875 112.6 46.4 -64.1 -38.2 7.7 -29.2 13.9 169 36 B L H X S+ 0 0 12 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.835 112.7 52.2 -72.0 -33.3 7.5 -28.0 10.3 170 37 B N H >X S+ 0 0 33 -4,-1.8 3,-1.0 -5,-0.2 4,-0.6 0.977 112.3 38.4 -70.3 -58.6 11.1 -28.9 9.7 171 38 B F H 3< S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.691 115.8 60.6 -64.2 -14.8 11.3 -32.6 10.9 172 39 B R H 3< S+ 0 0 146 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.745 93.1 64.4 -84.5 -26.6 7.8 -33.0 9.4 173 40 B Q H << S- 0 0 52 -3,-1.0 -2,-0.1 -4,-0.8 -1,-0.1 0.968 116.4 -1.3 -72.7 -62.1 8.6 -32.2 5.8 174 41 B K < - 0 0 134 -4,-0.6 -3,-0.1 2,-0.0 -2,-0.1 0.895 63.5-160.2-102.8 -54.0 11.0 -34.7 4.2 175 42 B L 0 0 140 -5,-0.3 -4,-0.1 1,-0.2 -3,-0.0 0.901 360.0 360.0 68.5 43.6 12.0 -37.4 6.7 176 43 B L 0 0 177 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.172 360.0 360.0 -36.0 360.0 15.1 -38.5 4.9