==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/VIRAL PROTEIN INHIBITOR 15-FEB-13 4J93 . COMPND 2 MOLECULE: GAG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.T.LEMKE . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 67.1 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 . 4 2.7 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 0.7 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 2 0 0 0 0 1 0 0 0 0 1 0 1 0 0 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 11 0, 0.0 12,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 170.1 12.0 -0.7 15.4 2 2 A I E +A 12 0A 15 44,-2.8 2,-0.3 10,-0.2 10,-0.2 -0.931 360.0 172.0-101.8 120.1 14.9 -2.7 13.9 3 3 A V E -A 11 0A 46 8,-2.8 8,-3.5 -2,-0.6 2,-0.5 -0.871 33.7-112.5-127.9 159.1 18.1 -2.0 15.9 4 4 A Q E -A 10 0A 130 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.791 30.1-155.4 -92.1 129.7 21.6 -3.3 16.0 5 5 A N > - 0 0 48 4,-2.3 3,-1.4 -2,-0.5 -1,-0.0 -0.263 39.0 -88.0 -89.8-174.0 22.7 -5.1 19.2 6 6 A L T 3 S+ 0 0 183 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.707 124.7 64.8 -70.6 -19.1 26.2 -5.5 20.5 7 7 A Q T 3 S- 0 0 148 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.137 116.5-113.6 -90.0 20.1 26.7 -8.7 18.4 8 8 A G S < S+ 0 0 40 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.383 75.6 131.0 70.3 -3.7 26.3 -6.5 15.3 9 9 A Q - 0 0 97 -5,-0.1 -4,-2.3 1,-0.1 2,-0.6 -0.622 60.9-122.8 -91.3 139.2 23.1 -8.2 14.4 10 10 A M E +A 4 0A 103 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.675 38.7 178.7 -78.4 119.7 19.9 -6.3 13.4 11 11 A V E -A 3 0A 50 -8,-3.5 -8,-2.8 -2,-0.6 2,-0.3 -0.929 24.7-121.2-125.6 149.2 17.1 -7.3 15.7 12 12 A H E +A 2 0A 65 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.630 28.6 173.3 -86.1 143.7 13.4 -6.3 16.1 13 13 A Q - 0 0 101 -12,-2.3 3,-0.1 -2,-0.3 -2,-0.0 -0.981 36.4-104.4-142.8 145.5 11.9 -4.8 19.2 14 14 A A - 0 0 71 -2,-0.3 2,-0.0 1,-0.1 37,-0.0 -0.293 50.6 -87.0 -63.3 151.9 8.4 -3.4 19.7 15 15 A I - 0 0 22 1,-0.1 -1,-0.1 2,-0.1 29,-0.0 -0.370 51.4-116.4 -58.7 136.9 8.1 0.4 19.8 16 16 A S > - 0 0 44 1,-0.1 4,-2.7 -3,-0.1 3,-0.4 -0.561 2.9-133.7 -82.7 140.9 8.7 1.6 23.4 17 17 A P H > S+ 0 0 90 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.753 109.8 63.6 -59.0 -22.6 5.9 3.3 25.4 18 18 A R H > S+ 0 0 212 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.938 107.4 40.0 -65.0 -47.0 8.7 5.8 26.3 19 19 A T H > S+ 0 0 33 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.913 115.8 51.5 -66.1 -45.5 8.9 6.8 22.6 20 20 A L H X S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.915 108.7 51.3 -58.6 -44.3 5.2 6.7 22.2 21 21 A N H X S+ 0 0 107 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.877 107.4 52.8 -62.0 -38.0 4.6 8.9 25.2 22 22 A A H X S+ 0 0 33 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.861 111.1 47.6 -64.7 -36.0 7.1 11.4 23.8 23 23 A W H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.937 112.1 47.6 -70.1 -48.1 5.2 11.5 20.5 24 24 A V H X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.892 112.7 52.9 -57.0 -39.4 1.8 11.9 22.2 25 25 A K H X S+ 0 0 120 -4,-2.3 4,-1.8 -5,-0.2 5,-0.3 0.921 104.9 51.0 -65.0 -47.4 3.4 14.6 24.3 26 26 A V H X S+ 0 0 3 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.874 116.9 41.8 -61.2 -36.6 4.8 16.7 21.5 27 27 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 3,-0.2 -2,-0.2 0.908 115.0 47.5 -77.1 -44.2 1.4 16.7 19.7 28 28 A E H < S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.710 121.9 36.4 -73.3 -18.8 -0.8 17.3 22.8 29 29 A E H < S+ 0 0 102 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.614 131.9 25.7-107.4 -16.0 1.4 20.1 24.1 30 30 A K H < S- 0 0 69 -4,-1.1 3,-0.5 -5,-0.3 -3,-0.2 0.470 89.0-146.7-126.3 -10.2 2.4 21.8 20.8 31 31 A A < - 0 0 61 -4,-2.2 -4,-0.1 1,-0.2 -3,-0.1 0.888 66.6 -39.2 41.9 77.5 -0.5 20.8 18.5 32 32 A F S S+ 0 0 7 1,-0.1 -1,-0.2 2,-0.1 113,-0.2 0.747 88.8 152.0 49.9 33.1 0.9 20.4 15.0 33 33 A S > - 0 0 30 -3,-0.5 3,-2.1 1,-0.1 4,-0.3 -0.440 68.4 -91.3 -75.4 166.6 3.3 23.3 15.1 34 34 A P T > S+ 0 0 89 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.763 121.5 74.8 -53.2 -26.0 6.4 22.8 12.8 35 35 A E T 3> S+ 0 0 106 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.751 80.1 71.3 -58.0 -28.0 8.2 21.3 15.8 36 36 A V H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.766 91.5 58.9 -64.4 -24.7 6.2 18.0 15.5 37 37 A I H <> S+ 0 0 25 -3,-1.5 4,-2.5 -4,-0.3 5,-0.2 0.976 106.8 41.0 -73.1 -56.2 8.1 17.1 12.3 38 38 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.865 117.3 52.7 -59.2 -32.4 11.7 17.0 13.5 39 39 A M H X S+ 0 0 61 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 106.6 51.2 -67.4 -43.9 10.4 15.3 16.7 40 40 A F H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.928 112.0 47.9 -58.6 -43.9 8.6 12.7 14.6 41 41 A S H >< S+ 0 0 48 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.943 111.4 49.6 -60.5 -48.9 11.8 12.0 12.7 42 42 A A H >< S+ 0 0 68 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.839 114.1 45.6 -59.3 -34.3 13.9 11.8 15.9 43 43 A L H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.575 105.9 59.7 -89.0 -10.1 11.4 9.3 17.5 44 44 A S T X< + 0 0 0 -4,-0.9 3,-2.1 -3,-0.9 -1,-0.2 0.143 67.0 149.1-108.7 19.3 10.9 7.0 14.5 45 45 A E T < S- 0 0 158 -3,-0.6 -3,-0.0 1,-0.3 -4,-0.0 -0.338 79.4 -2.5 -57.6 123.0 14.5 5.9 14.1 46 46 A G T 3 S+ 0 0 21 1,-0.2 -44,-2.8 -45,-0.1 -1,-0.3 0.585 96.5 164.6 73.5 11.8 14.6 2.3 12.7 47 47 A A < - 0 0 1 -3,-2.1 -1,-0.2 -46,-0.3 84,-0.1 -0.269 32.2-139.9 -67.5 142.4 10.8 2.1 12.8 48 48 A T > - 0 0 0 79,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.558 34.5-104.4 -83.8 163.2 8.8 -0.5 10.9 49 49 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.878 125.3 57.7 -55.2 -35.8 5.5 0.6 9.3 50 50 A Q H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 105.1 49.2 -58.3 -46.9 3.8 -1.2 12.2 51 51 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 110.0 51.8 -56.6 -42.8 5.7 1.1 14.7 52 52 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.896 108.4 50.2 -65.9 -39.9 4.7 4.1 12.6 53 53 A N H X S+ 0 0 35 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.881 108.0 53.4 -65.1 -37.7 1.0 3.1 12.7 54 54 A T H X S+ 0 0 46 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.932 109.9 48.8 -60.8 -44.2 1.2 2.7 16.5 55 55 A M H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.942 113.2 46.1 -58.9 -49.5 2.6 6.2 16.7 56 56 A L H >< S+ 0 0 14 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.858 107.7 58.0 -65.1 -35.3 -0.1 7.6 14.5 57 57 A N H >< S+ 0 0 118 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.873 95.0 64.3 -60.8 -37.8 -2.9 5.7 16.4 58 58 A T T 3< S+ 0 0 51 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.648 107.8 42.7 -64.5 -14.5 -1.9 7.4 19.7 59 59 A V T X S+ 0 0 2 -3,-1.2 3,-1.3 -4,-0.4 -1,-0.3 -0.045 73.1 122.0-119.9 30.6 -3.0 10.7 18.2 60 60 A G T < + 0 0 38 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.608 56.0 83.6 -67.4 -11.5 -6.2 9.6 16.5 61 61 A G T 3 S+ 0 0 68 1,-0.2 2,-1.7 -3,-0.2 -1,-0.3 0.802 74.1 73.3 -62.5 -31.7 -8.0 12.1 18.6 62 62 A H <> + 0 0 62 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 -0.631 68.8 176.4 -83.4 81.9 -7.2 14.8 16.1 63 63 A Q H > S+ 0 0 152 -2,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.862 70.9 48.9 -62.8 -42.9 -9.6 13.5 13.5 64 64 A A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 114.9 45.4 -65.4 -43.6 -9.2 16.2 10.8 65 65 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.910 112.4 52.0 -64.0 -42.7 -5.4 15.9 10.9 66 66 A M H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.849 108.8 49.9 -65.4 -34.9 -5.5 12.1 10.9 67 67 A Q H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.898 109.1 51.8 -70.0 -39.4 -7.8 12.1 7.9 68 68 A M H X S+ 0 0 51 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.911 111.5 48.9 -59.5 -41.8 -5.4 14.4 6.0 69 69 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 109.8 50.2 -63.2 -48.8 -2.6 12.0 6.9 70 70 A K H X S+ 0 0 114 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.877 111.8 48.2 -59.1 -39.2 -4.5 9.0 5.7 71 71 A E H X S+ 0 0 96 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.887 109.7 51.5 -71.1 -38.8 -5.3 10.6 2.4 72 72 A T H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.917 110.4 50.3 -60.4 -42.7 -1.7 11.7 1.8 73 73 A I H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 108.6 52.0 -63.2 -42.0 -0.6 8.2 2.5 74 74 A N H X S+ 0 0 94 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.917 111.3 47.1 -59.3 -44.7 -3.2 6.9 -0.0 75 75 A E H X S+ 0 0 108 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 114.1 45.9 -63.9 -46.9 -1.9 9.3 -2.7 76 76 A E H X S+ 0 0 56 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 112.0 52.7 -63.9 -38.7 1.8 8.4 -2.0 77 77 A A H X S+ 0 0 10 -4,-2.8 4,-2.4 -5,-0.2 24,-0.3 0.899 108.4 50.2 -62.6 -41.7 0.9 4.7 -2.0 78 78 A A H X S+ 0 0 57 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.909 110.6 49.1 -62.7 -42.3 -0.8 5.0 -5.4 79 79 A E H X S+ 0 0 76 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.877 109.2 53.1 -66.0 -37.4 2.2 6.8 -6.8 80 80 A W H X S+ 0 0 38 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.932 109.5 48.9 -59.1 -45.1 4.4 4.0 -5.4 81 81 A D H < S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.842 109.6 52.5 -66.0 -32.5 2.2 1.5 -7.2 82 82 A R H < S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.917 119.2 34.0 -67.7 -42.3 2.4 3.5 -10.4 83 83 A L H < S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.767 129.7 33.5 -84.7 -29.1 6.2 3.5 -10.3 84 84 A H S < S- 0 0 93 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.506 74.6-174.5-129.7 63.6 6.8 0.1 -8.7 85 85 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.380 32.2-111.7 -62.4 135.0 4.1 -2.3 -9.9 86 86 A V - 0 0 52 1,-0.1 2,-1.6 -2,-0.1 14,-0.1 -0.429 18.7-113.8 -77.5 140.1 4.4 -5.6 -8.1 87 87 A H - 0 0 129 -2,-0.2 2,-2.0 1,-0.1 11,-0.2 -0.543 33.1-162.0 -67.8 89.5 5.4 -8.8 -9.8 88 88 A A + 0 0 101 -2,-1.6 -1,-0.1 9,-0.1 -2,-0.0 -0.515 50.4 88.8 -79.7 77.7 2.1 -10.6 -9.4 89 89 A G S S- 0 0 37 -2,-2.0 2,-0.1 0, 0.0 -2,-0.0 -0.895 82.3 -50.8-155.8-176.9 3.3 -14.1 -10.0 90 90 A P - 0 0 131 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 -0.389 45.6-160.2 -66.1 138.9 4.8 -17.3 -8.4 91 91 A I - 0 0 75 -2,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.989 17.4-121.7-124.1 133.7 7.9 -17.0 -6.2 92 92 A A > - 0 0 56 -2,-0.4 3,-1.8 1,-0.1 0, 0.0 -0.279 41.6 -85.3 -68.2 154.2 10.3 -19.8 -5.4 93 93 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.282 117.3 38.5 -55.8 145.8 10.9 -20.9 -1.8 94 94 A G T 3 S+ 0 0 92 1,-0.4 2,-0.2 -3,-0.1 -2,-0.1 0.021 104.7 88.9 95.4 -25.4 13.7 -18.8 -0.1 95 95 A Q < - 0 0 126 -3,-1.8 -1,-0.4 -4,-0.0 2,-0.3 -0.580 64.7-147.1 -98.2 164.6 12.4 -15.7 -1.9 96 96 A M - 0 0 54 -2,-0.2 -4,-0.1 -3,-0.1 17,-0.0 -0.914 22.7 -96.7-130.3 160.8 9.7 -13.2 -0.8 97 97 A R - 0 0 79 -2,-0.3 -9,-0.1 1,-0.1 -1,-0.0 -0.205 39.1-107.1 -70.2 163.4 7.1 -11.1 -2.5 98 98 A E - 0 0 93 -11,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.705 35.5-112.5 -92.1 144.5 7.5 -7.5 -3.4 99 99 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.561 24.3-157.3 -80.8 137.3 5.6 -4.8 -1.4 100 100 A R >> - 0 0 117 -2,-0.3 4,-2.0 -14,-0.1 3,-0.8 -0.449 42.5 -86.6 -95.2 179.7 2.9 -2.6 -2.8 101 101 A G H 3> S+ 0 0 0 -24,-0.3 4,-1.9 1,-0.3 6,-0.2 0.900 129.4 49.6 -53.9 -47.5 1.8 0.8 -1.5 102 102 A S H 34>S+ 0 0 31 1,-0.2 5,-1.8 2,-0.2 6,-1.7 0.720 108.2 55.6 -69.1 -20.8 -0.6 -0.7 1.1 103 103 A D H X45S+ 0 0 1 -3,-0.8 3,-1.1 5,-0.2 -1,-0.2 0.877 106.0 50.2 -74.3 -41.3 2.2 -3.0 2.2 104 104 A I H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 26,-0.2 0.883 108.4 52.8 -63.1 -37.7 4.5 -0.1 2.9 105 105 A A T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.486 114.6-120.8 -77.7 -2.7 1.7 1.6 4.9 106 106 A G T < 5S+ 0 0 18 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.563 83.1 115.8 77.4 9.1 1.4 -1.6 6.9 107 107 A T S - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.511 28.8-111.9 -87.7 163.8 2.5 -8.4 8.5 111 111 A L H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.900 120.1 55.0 -59.7 -41.3 5.2 -7.4 10.8 112 112 A Q H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 108.2 48.2 -61.8 -36.2 7.2 -10.4 9.7 113 113 A E H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 110.6 51.8 -69.7 -41.2 6.9 -9.3 6.1 114 114 A Q H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 12,-0.2 0.949 112.0 44.9 -59.7 -50.2 8.0 -5.7 7.1 115 115 A I H X S+ 0 0 27 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.918 111.5 56.4 -57.6 -43.0 11.1 -7.1 8.9 116 116 A G H X S+ 0 0 20 -4,-2.2 4,-0.5 -5,-0.3 -2,-0.2 0.921 109.8 42.7 -54.8 -49.2 11.6 -9.3 5.8 117 117 A W H >< S+ 0 0 6 -4,-2.7 7,-2.2 1,-0.2 3,-0.8 0.914 112.5 52.9 -65.9 -43.6 11.7 -6.4 3.4 118 118 A M H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 120.0 34.1 -64.2 -26.0 13.8 -4.2 5.6 119 119 A T H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.291 91.5 122.3-113.8 7.1 16.5 -6.9 6.0 120 120 A H S << S- 0 0 70 -3,-0.8 -3,-0.1 -4,-0.5 -4,-0.0 -0.246 73.3 -94.2 -67.5 156.1 16.3 -8.6 2.6 121 121 A N S S+ 0 0 150 1,-0.4 -1,-0.1 2,-0.1 -2,-0.0 -0.889 126.1 19.7-112.4 100.9 19.3 -8.8 0.2 122 122 A P S S- 0 0 101 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 0.557 109.6-140.8 -86.9 159.7 18.8 -6.4 -1.4 123 123 A P - 0 0 77 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.353 16.1-153.5 -86.6 158.3 16.5 -4.5 1.0 124 124 A I - 0 0 50 -7,-2.2 2,-2.5 -2,-0.1 3,-0.2 -0.964 22.1-142.7-122.0 110.4 13.4 -2.3 0.5 125 125 A P > + 0 0 62 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.406 30.5 169.5 -77.0 74.1 13.4 0.1 3.5 126 126 A V H > S+ 0 0 0 -2,-2.5 4,-2.5 1,-0.3 5,-0.2 0.801 72.7 54.6 -61.3 -31.7 9.6 0.1 3.9 127 127 A G H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.926 110.6 45.4 -63.7 -45.5 9.8 1.9 7.3 128 128 A E H > S+ 0 0 84 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.881 113.6 49.7 -67.3 -38.9 11.8 4.8 5.8 129 129 A I H X S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.935 112.5 46.4 -64.9 -47.4 9.6 5.0 2.7 130 130 A Y H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.888 109.1 55.9 -62.1 -38.1 6.4 5.1 4.9 131 131 A K H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.865 103.6 55.7 -63.0 -35.0 8.0 7.7 7.1 132 132 A R H X S+ 0 0 148 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.916 108.9 45.9 -62.0 -45.9 8.6 9.8 4.1 133 133 A W H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.885 112.2 51.5 -65.2 -41.1 4.8 9.7 3.2 134 134 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.922 108.6 50.7 -63.9 -43.6 3.9 10.4 6.8 135 135 A I H X S+ 0 0 35 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.890 107.3 53.4 -63.1 -39.5 6.2 13.5 6.9 136 136 A L H X S+ 0 0 76 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 111.2 48.0 -55.7 -44.3 4.6 14.8 3.7 137 137 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 109.2 51.8 -62.3 -45.2 1.3 14.4 5.5 138 138 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 107.7 53.0 -61.1 -38.7 2.6 16.2 8.6 139 139 A N H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 107.9 50.7 -62.6 -40.9 3.8 19.1 6.4 140 140 A K H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 112.0 47.7 -59.4 -43.5 0.3 19.4 4.9 141 141 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 109.9 51.8 -67.0 -42.7 -1.2 19.4 8.4 142 142 A V H < S+ 0 0 18 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.888 111.3 47.9 -61.4 -40.6 1.3 22.0 9.6 143 143 A R H >< S+ 0 0 178 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.905 108.2 55.7 -64.2 -42.1 0.4 24.2 6.6 144 144 A M H 3< S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.9 36.0 -59.1 -38.5 -3.3 23.8 7.2 145 145 A Y T 3< 0 0 116 -4,-1.8 -1,-0.3 -113,-0.2 -2,-0.2 0.291 360.0 360.0 -99.4 6.8 -3.0 25.1 10.8 146 146 A S < 0 0 148 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.636 360.0 360.0 -71.0 360.0 -0.4 27.7 10.1