==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 05-APR-10 3MGE . COMPND 2 MOLECULE: CAPSID PROTEIN P24; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR O.PORNILLOS . 204 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 65.2 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 . 2 1.0 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 . 1 0.5 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 2 1 1 0 0 0 1 1 0 0 0 0 1 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 . 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 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 1 A P 0 0 31 0, 0.0 7,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 160.9 11.8 10.9 -13.0 2 2 A I B A 7 0A 18 39,-2.4 5,-0.2 5,-0.2 7,-0.0 -0.917 360.0 360.0 -99.1 117.3 12.6 10.1 -16.6 3 3 A V 0 0 83 3,-2.4 3,-2.4 -2,-0.6 38,-0.0 -0.808 360.0 360.0-119.8 360.0 11.8 6.5 -17.2 4 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 5 10 A M 0 0 165 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 122.8 11.7 8.0 -22.5 6 11 A V - 0 0 87 -3,-2.4 -3,-2.4 -5,-0.0 2,-0.3 -0.920 360.0-107.6-135.2 161.2 9.0 10.0 -20.8 7 12 A H B -A 2 0A 58 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.709 29.8-174.3 -90.5 140.2 8.7 12.0 -17.6 8 13 A Q - 0 0 118 -7,-3.0 3,-0.1 -2,-0.3 -2,-0.0 -0.999 29.6-108.5-132.9 137.8 6.7 10.8 -14.6 9 14 A A - 0 0 82 -2,-0.4 37,-0.0 1,-0.1 0, 0.0 -0.258 44.0 -95.2 -59.4 144.5 6.0 12.7 -11.4 10 15 A I - 0 0 31 1,-0.1 -1,-0.1 2,-0.0 29,-0.0 -0.336 48.6-116.2 -52.8 141.3 7.8 11.5 -8.2 11 16 A S > - 0 0 46 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.615 5.2-129.6 -88.6 148.2 5.5 9.1 -6.4 12 17 A P H > S+ 0 0 102 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.847 111.6 58.1 -60.6 -34.4 4.1 9.9 -2.9 13 18 A R H > S+ 0 0 214 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 107.8 45.4 -59.4 -49.0 5.3 6.5 -1.8 14 19 A T H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.968 115.1 46.9 -58.1 -55.7 8.9 7.4 -2.8 15 20 A L H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.924 114.3 47.5 -50.1 -51.3 8.7 10.8 -1.1 16 21 A N H X S+ 0 0 97 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.879 109.5 53.3 -63.5 -37.7 7.2 9.3 2.0 17 22 A A H X S+ 0 0 39 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.9 45.5 -62.1 -44.6 9.8 6.6 2.1 18 23 A W H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.954 111.8 49.6 -64.5 -52.9 12.6 9.1 2.0 19 24 A V H X S+ 0 0 24 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.840 112.7 49.1 -57.2 -33.9 11.2 11.4 4.5 20 25 A K H X S+ 0 0 93 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.881 108.0 53.3 -74.6 -38.8 10.7 8.5 6.9 21 26 A V H X>S+ 0 0 16 -4,-2.2 4,-3.4 1,-0.2 5,-0.6 0.947 110.3 47.0 -58.7 -48.4 14.2 7.2 6.4 22 27 A V H X5S+ 0 0 3 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.821 113.5 50.9 -65.3 -29.9 15.6 10.6 7.3 23 28 A E H <5S+ 0 0 122 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.921 121.1 30.8 -68.7 -46.8 13.3 10.7 10.3 24 29 A E H <5S+ 0 0 140 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.883 131.5 30.2 -84.9 -39.8 14.2 7.3 11.7 25 30 A K H ><5S- 0 0 82 -4,-3.4 3,-1.5 -5,-0.3 2,-0.3 0.614 80.4-166.7 -96.5 -14.2 17.9 6.9 10.6 26 31 A A T 3< S+ 0 0 12 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.776 115.7 67.1 -55.9 -33.3 25.6 5.9 6.4 30 35 A E T 3> S+ 0 0 42 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.612 83.2 77.6 -68.0 -8.2 22.9 3.7 4.8 31 36 A V H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -1,-0.3 0.844 87.3 58.6 -68.1 -30.7 20.9 6.8 4.1 32 37 A I H <> S+ 0 0 16 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 0.948 106.2 45.2 -67.0 -50.2 23.1 7.7 1.2 33 38 A P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.888 112.4 54.0 -58.8 -37.8 22.5 4.5 -0.7 34 39 A M H X S+ 0 0 79 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.949 108.5 48.5 -60.9 -46.6 18.8 4.9 0.0 35 40 A F H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.922 114.1 46.2 -54.8 -46.8 18.8 8.4 -1.4 36 41 A S H < S+ 0 0 36 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.863 113.8 48.4 -67.7 -36.0 20.6 7.1 -4.5 37 42 A a H >< S+ 0 0 84 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.818 111.6 48.7 -75.6 -30.2 18.3 4.2 -4.9 38 43 A L H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.613 109.9 53.0 -83.1 -11.9 15.1 6.2 -4.5 39 44 A S T >< + 0 0 2 -4,-0.9 3,-2.1 -3,-0.3 2,-0.2 -0.016 68.5 154.4-116.6 28.9 16.1 8.9 -7.1 40 45 A E T < S- 0 0 114 -3,-0.6 -3,-0.1 1,-0.3 -38,-0.0 -0.415 80.0 -1.4 -63.9 125.6 17.0 6.8 -10.1 41 46 A G T 3 S+ 0 0 21 -2,-0.2 -39,-2.4 1,-0.2 -1,-0.3 0.656 96.3 163.8 69.4 17.6 16.6 9.0 -13.3 42 47 A A < - 0 0 3 -3,-2.1 -1,-0.2 -41,-0.2 84,-0.2 -0.345 33.3-132.9 -70.6 146.2 15.4 11.9 -11.1 43 48 A T > - 0 0 0 1,-0.1 4,-2.2 79,-0.1 5,-0.2 -0.480 32.6-101.7 -82.5 166.1 15.3 15.4 -12.5 44 49 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.905 126.0 55.1 -55.0 -39.1 16.7 18.3 -10.5 45 50 A Q H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.927 107.8 49.1 -59.4 -43.2 13.1 19.2 -9.5 46 51 A D H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 110.4 50.4 -59.5 -45.8 12.6 15.7 -8.2 47 52 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.868 108.6 52.2 -63.4 -38.0 15.8 15.8 -6.2 48 53 A N H X S+ 0 0 24 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.867 105.0 55.8 -68.4 -35.5 14.7 19.2 -4.7 49 54 A a H X S+ 0 0 44 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.910 108.2 49.7 -57.5 -43.1 11.4 17.6 -3.7 50 55 A M H < S+ 0 0 1 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.953 118.0 37.2 -63.3 -48.7 13.4 15.0 -1.8 51 56 A L H >< S+ 0 0 10 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.925 116.1 52.2 -68.8 -44.8 15.6 17.4 0.0 52 57 A N H 3< S+ 0 0 110 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.710 99.5 61.8 -71.2 -20.3 13.0 20.1 0.6 53 58 A T T 3< S+ 0 0 66 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.3 0.568 77.1 105.1 -85.4 -6.6 10.4 17.9 2.2 54 59 A V < - 0 0 9 -3,-1.3 -34,-0.0 -4,-0.3 -35,-0.0 -0.634 52.0-171.3 -71.4 125.9 12.7 17.0 5.1 55 60 A G + 0 0 67 -2,-0.4 3,-0.2 -36,-0.1 -1,-0.2 0.835 60.6 43.8 -91.6 -35.7 11.4 19.0 8.1 56 61 A G S S+ 0 0 39 1,-0.2 5,-0.1 2,-0.1 -33,-0.0 -0.076 85.7 56.3 -94.1-164.6 14.2 18.5 10.6 57 62 A H > + 0 0 68 1,-0.1 4,-2.1 3,-0.1 5,-0.2 0.803 55.4 161.8 51.7 38.1 18.0 18.5 10.5 58 63 A Q H > + 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.751 68.9 60.7 -68.0 -22.4 18.0 22.1 9.1 59 64 A A H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.975 109.3 43.5 -59.7 -54.4 21.7 22.5 10.1 60 65 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.894 111.9 53.1 -54.4 -43.8 22.6 19.6 7.8 61 66 A M H X S+ 0 0 10 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.848 108.9 49.9 -69.1 -29.6 20.3 20.9 5.1 62 67 A Q H X S+ 0 0 103 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.907 109.1 50.9 -72.3 -39.9 22.0 24.2 5.2 63 68 A M H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.885 108.8 53.8 -59.3 -38.4 25.4 22.6 5.0 64 69 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 105.9 50.7 -64.8 -44.6 24.1 20.7 2.0 65 70 A K H X S+ 0 0 89 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.901 108.8 54.1 -56.6 -41.9 23.1 23.9 0.2 66 71 A E H X S+ 0 0 108 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.894 109.3 46.1 -60.1 -43.9 26.5 25.3 0.9 67 72 A T H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.908 111.8 51.8 -67.4 -42.1 28.2 22.3 -0.8 68 73 A I H X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.917 109.0 50.8 -59.9 -43.1 25.8 22.5 -3.7 69 74 A N H X S+ 0 0 104 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.868 108.0 52.9 -64.3 -35.3 26.6 26.2 -4.1 70 75 A E H X S+ 0 0 103 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.917 112.5 44.1 -63.1 -43.9 30.4 25.4 -4.1 71 76 A E H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.879 111.8 53.4 -70.9 -37.1 29.9 22.8 -6.9 72 77 A A H X S+ 0 0 10 -4,-2.8 4,-2.0 2,-0.2 24,-0.4 0.885 108.2 50.0 -64.1 -38.6 27.6 25.1 -8.8 73 78 A A H X S+ 0 0 62 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.851 111.0 49.5 -69.3 -32.4 30.3 27.9 -8.7 74 79 A E H X S+ 0 0 75 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.851 108.0 54.1 -73.3 -33.8 32.9 25.4 -10.0 75 80 A W H X S+ 0 0 46 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 107.9 50.2 -61.8 -42.9 30.5 24.3 -12.8 76 81 A D H < S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.7 53.5 -65.4 -32.4 30.2 28.0 -13.8 77 82 A R H < S+ 0 0 162 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.920 116.8 35.5 -67.5 -44.8 34.0 28.2 -13.8 78 83 A L H < S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.748 129.0 33.2 -81.3 -27.4 34.5 25.3 -16.1 79 84 A H S < S- 0 0 90 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.550 74.0-173.0-134.3 70.6 31.5 25.8 -18.3 80 85 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.315 20.3-132.5 -62.8 144.3 30.6 29.5 -18.7 81 86 A V - 0 0 45 12,-0.1 2,-0.2 -5,-0.1 14,-0.0 -0.851 22.9-107.1-102.9 136.1 27.3 30.2 -20.6 82 87 A H - 0 0 163 -2,-0.4 2,-0.2 1,-0.1 11,-0.2 -0.407 36.3-133.9 -60.9 123.3 27.1 32.7 -23.4 83 88 A A + 0 0 106 -2,-0.2 -1,-0.1 3,-0.0 0, 0.0 -0.517 60.9 57.8 -78.6 147.5 25.3 35.8 -22.1 84 89 A G S S- 0 0 58 -2,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.361 95.5 -29.0 116.8 163.0 22.6 37.4 -24.3 85 90 A P - 0 0 137 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.211 67.4-126.3 -51.4 123.6 19.3 36.4 -26.0 86 91 A I - 0 0 82 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.372 36.0 -81.3 -75.9 153.5 19.2 32.7 -26.8 87 92 A A > - 0 0 53 1,-0.1 3,-2.6 4,-0.1 -1,-0.1 -0.314 60.5 -96.4 -54.9 121.5 18.5 31.4 -30.3 88 93 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.131 104.5 0.8 -44.7 121.0 14.7 31.4 -30.8 89 94 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.484 105.1 122.8 82.7 3.7 13.3 27.9 -30.0 90 95 A Q < - 0 0 127 -3,-2.6 2,-0.3 1,-0.1 -1,-0.3 -0.705 69.3-100.7-103.9 153.6 16.7 26.4 -29.2 91 96 A M - 0 0 80 -2,-0.3 -4,-0.1 -3,-0.1 2,-0.1 -0.499 40.1-140.4 -67.0 126.4 17.9 24.6 -26.1 92 97 A R - 0 0 70 -2,-0.3 -1,-0.1 1,-0.1 -11,-0.0 -0.390 22.0 -96.7 -85.6 165.8 20.0 26.9 -23.8 93 98 A E - 0 0 91 -11,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.643 39.7-122.7 -80.6 134.5 23.2 26.0 -21.9 94 99 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.614 22.4-160.0 -79.1 134.3 22.7 25.1 -18.3 95 100 A R >> - 0 0 109 -2,-0.3 4,-2.0 8,-0.0 3,-0.9 -0.513 41.3 -88.2 -95.2 179.0 24.5 27.1 -15.6 96 101 A G H 3> S+ 0 0 0 -24,-0.4 4,-2.3 1,-0.3 5,-0.2 0.882 127.9 50.2 -56.0 -46.8 25.1 25.8 -12.0 97 102 A S H 34>S+ 0 0 28 1,-0.2 5,-2.4 2,-0.2 6,-1.8 0.721 109.1 53.9 -65.8 -23.3 21.8 27.1 -10.6 98 103 A D H X45S+ 0 0 2 -3,-0.9 3,-1.0 5,-0.2 -1,-0.2 0.879 109.0 47.1 -73.9 -42.5 20.0 25.5 -13.6 99 104 A I H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 26,-0.2 0.896 110.2 53.0 -64.7 -38.8 21.5 22.1 -12.8 100 105 A A T 3<5S- 0 0 5 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.478 115.1-124.0 -76.3 -2.9 20.6 22.6 -9.1 101 106 A G T < 5S+ 0 0 15 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.638 81.8 111.6 74.4 17.1 17.1 23.3 -10.4 102 107 A T S - 0 0 66 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.536 26.8-113.5 -92.1 163.3 12.0 24.8 -15.2 106 111 A L H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 118.6 57.9 -60.5 -40.3 11.0 21.2 -15.3 107 112 A Q H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 107.9 45.5 -56.7 -47.7 10.4 21.5 -19.0 108 113 A E H > S+ 0 0 60 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 111.4 52.7 -61.8 -42.3 14.0 22.7 -19.5 109 114 A Q H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 12,-0.2 0.943 110.0 47.7 -59.3 -48.4 15.3 19.9 -17.3 110 115 A I H X S+ 0 0 39 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.918 111.4 52.4 -57.0 -44.8 13.4 17.2 -19.3 111 116 A G H < S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.930 112.9 42.8 -57.8 -49.4 14.7 18.8 -22.5 112 117 A W H >< S+ 0 0 3 -4,-2.8 7,-2.0 1,-0.2 3,-1.6 0.975 116.4 47.7 -59.1 -54.0 18.4 18.7 -21.4 113 118 A M H 3< S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.780 118.0 39.8 -63.5 -30.2 18.0 15.2 -19.9 114 119 A T T 3< S+ 0 0 67 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.051 92.5 114.2-107.4 23.9 16.3 13.7 -23.0 115 120 A H S < S- 0 0 83 -3,-1.6 -3,-0.1 4,-0.1 -4,-0.0 -0.452 75.2 -90.0 -89.5 166.8 18.4 15.5 -25.7 116 121 A N S S+ 0 0 144 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 -0.904 124.6 17.3-125.8 106.9 20.7 13.9 -28.1 117 122 A P S S- 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.582 112.1-126.4 -76.0 162.9 23.3 13.8 -26.9 118 123 A P - 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0 0 37 -3,-1.1 28,-0.2 1,-0.1 5,-0.0 -0.718 67.3-118.6 -82.7 124.6 31.2 -8.4 24.3 155 160 A P >> - 0 0 73 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.325 23.4-120.2 -57.2 142.8 30.8 -11.1 21.8 156 161 A F H 3> S+ 0 0 7 49,-0.6 4,-2.7 1,-0.2 5,-0.2 0.909 111.1 56.6 -54.5 -43.2 33.3 -10.7 18.9 157 162 A R H 3> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 105.5 49.9 -57.5 -39.0 30.5 -10.4 16.3 158 163 A D H <> S+ 0 0 81 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.891 111.9 49.0 -69.3 -38.6 28.8 -7.5 18.1 159 164 A Y H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.916 110.0 50.4 -62.5 -46.2 32.2 -5.7 18.3 160 165 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.897 107.9 54.6 -62.7 -40.3 32.9 -6.3 14.6 161 166 A D H X S+ 0 0 97 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.915 111.4 44.1 -54.2 -47.7 29.4 -4.9 13.8 162 167 A R H X S+ 0 0 88 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.903 112.4 53.4 -66.8 -39.5 30.3 -1.7 15.7 163 168 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.937 114.4 38.7 -62.7 -49.4 33.7 -1.5 14.2 164 169 A Y H X S+ 0 0 82 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.808 112.6 56.4 -76.4 -27.8 32.5 -1.7 10.6 165 170 A K H X S+ 0 0 106 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.927 112.1 44.4 -63.1 -45.5 29.5 0.5 11.2 166 171 A T H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.933 111.8 51.6 -62.1 -47.6 31.8 3.2 12.5 167 172 A L H X S+ 0 0 59 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.871 107.0 55.0 -58.1 -38.3 34.3 2.8 9.7 168 173 A R H < S+ 0 0 125 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.867 112.5 41.9 -65.2 -37.3 31.5 3.1 7.2 169 174 A A H < S+ 0 0 7 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.959 113.1 48.8 -74.9 -56.4 30.4 6.5 8.6 170 175 A E H < 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.671 360.0 360.0 -55.9 -14.8 33.8 8.0 9.1 171 176 A Q < 0 0 116 -4,-0.7 -1,-0.2 -5,-0.3 -3,-0.1 0.505 360.0 360.0 21.5 360.0 34.2 6.8 5.5 172 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 173 186 A T > 0 0 75 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -59.0 41.6 -2.2 9.2 174 187 A E H > + 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.840 360.0 56.2 -53.4 -33.6 42.0 -5.8 10.2 175 188 A T H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 111.2 39.4 -63.6 -55.3 45.1 -4.7 12.0 176 189 A L H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.907 112.3 61.1 -57.7 -39.9 43.3 -2.1 14.1 177 190 A L H < S+ 0 0 0 -4,-3.8 4,-0.4 1,-0.2 -2,-0.2 0.907 108.7 40.8 -52.3 -46.1 40.5 -4.6 14.4 178 191 A V H >< S+ 0 0 25 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.913 114.0 53.3 -71.1 -43.6 42.8 -7.1 16.1 179 192 A Q H 3< S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.3 47.0 -55.1 -43.1 44.4 -4.3 18.2 180 193 A N T 3< S+ 0 0 12 -4,-3.0 -30,-2.7 -5,-0.2 -1,-0.2 0.492 92.0 104.8 -83.2 -2.3 41.0 -3.1 19.5 181 194 A A S < S- 0 0 2 -3,-1.0 -3,-0.0 -4,-0.4 -25,-0.0 -0.337 81.5 -96.9 -72.3 158.7 39.8 -6.6 20.4 182 195 A N > - 0 0 16 -31,-0.2 4,-2.7 -28,-0.2 5,-0.2 -0.205 41.1 -98.5 -70.4 169.4 39.7 -7.8 24.0 183 196 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.861 119.6 51.4 -63.3 -35.9 42.7 -9.8 25.5 184 197 A D H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.889 117.0 38.6 -68.2 -40.9 41.0 -13.3 25.1 185 198 A C H > S+ 0 0 13 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.889 111.5 58.2 -76.0 -37.9 40.2 -12.7 21.4 186 199 A K H X S+ 0 0 49 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.907 104.3 52.8 -59.3 -41.2 43.4 -10.9 20.6 187 200 A T H X S+ 0 0 96 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.938 113.0 43.6 -57.7 -48.2 45.3 -13.9 21.8 188 201 A I H X S+ 0 0 74 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.926 115.3 49.1 -62.5 -46.4 43.3 -16.2 19.4 189 202 A L H >X S+ 0 0 7 -4,-3.3 3,-1.6 1,-0.2 4,-0.6 0.929 108.9 50.3 -61.2 -50.5 43.5 -13.7 16.5 190 203 A K H >< S+ 0 0 151 -4,-3.1 3,-1.2 1,-0.3 -1,-0.2 0.885 107.2 57.0 -55.2 -39.0 47.3 -13.1 16.8 191 204 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.633 91.8 71.5 -68.5 -15.0 47.7 -16.9 16.8 192 205 A L H << S- 0 0 73 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.799 98.0-140.5 -69.7 -27.7 45.8 -17.2 13.5 193 206 A G X< - 0 0 37 -3,-1.2 3,-0.7 -4,-0.6 -1,-0.2 -0.273 36.6 -35.6 88.3 178.2 48.8 -15.6 11.6 194 207 A P T 3 S+ 0 0 136 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.269 116.0 30.6 -71.6 156.9 48.7 -13.1 8.8 195 208 A G T 3 S+ 0 0 73 1,-0.2 2,-0.1 -2,-0.0 -2,-0.0 0.550 71.5 160.1 78.1 10.1 46.1 -12.9 6.0 196 209 A A < - 0 0 25 -3,-0.7 -1,-0.2 -7,-0.1 2,-0.1 -0.425 37.5-126.9 -64.7 136.6 43.1 -14.3 8.0 197 210 A T > - 0 0 66 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.359 23.6-109.5 -73.2 163.4 39.8 -13.5 6.4 198 211 A L H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.916 121.4 57.8 -58.5 -42.6 37.1 -11.8 8.5 199 212 A E H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 106.5 46.9 -53.3 -45.1 35.2 -15.1 8.3 200 213 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 112.5 49.6 -68.9 -38.3 38.2 -17.0 9.8 201 214 A M H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 112.1 47.8 -64.9 -45.9 38.6 -14.4 12.6 202 215 A M H < S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.2 48.4 -65.9 -40.8 34.9 -14.5 13.5 203 216 A T H >< S+ 0 0 88 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.911 110.3 54.0 -62.4 -40.5 34.8 -18.3 13.6 204 217 A A H 3< S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 114.0 39.4 -61.8 -37.2 37.9 -18.3 15.7 205 218 A C T 3< 0 0 17 -4,-1.8 -49,-0.6 1,-0.2 -1,-0.2 0.184 360.0 360.0-100.5 18.4 36.4 -16.0 18.4 206 219 A Q < 0 0 166 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.1 0.904 360.0 360.0 -76.8 360.0 32.9 -17.5 18.3