==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 23-MAY-06 2H3V . COMPND 2 MOLECULE: GAG POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.S.SAAD,J.MILLER,J.TAI,A.KIM,R.H.GHANAM,M.F.SUMMERS . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 0 0 1 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 G 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.9 2.1 0.0 -1.2 2 3 A A - 0 0 102 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.177 360.0 -85.8 -66.6 163.4 5.2 -1.9 -2.3 3 4 A R - 0 0 234 48,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.521 52.0-177.2 -74.4 135.3 7.7 -3.2 0.2 4 5 A A + 0 0 78 -2,-0.2 -1,-0.0 -3,-0.1 44,-0.0 -0.703 37.1 33.4-125.1 177.4 10.3 -0.7 1.4 5 6 A S S S- 0 0 90 -2,-0.2 3,-0.2 1,-0.1 0, 0.0 0.185 80.0 -97.7 61.3 170.9 13.4 -0.7 3.6 6 7 A V S S+ 0 0 34 1,-0.3 2,-0.5 46,-0.0 -1,-0.1 0.940 102.3 19.7 -87.6 -63.9 15.7 -3.6 4.1 7 8 A L S S- 0 0 14 4,-0.0 -1,-0.3 3,-0.0 44,-0.0 -0.948 75.7-146.2-115.7 123.1 14.5 -5.2 7.4 8 9 A S > - 0 0 71 -2,-0.5 4,-3.1 -3,-0.2 5,-0.2 0.024 42.4 -79.9 -71.8-174.9 11.0 -4.6 8.8 9 10 A G H > S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.930 132.0 42.9 -54.4 -50.2 10.1 -4.4 12.4 10 11 A G H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.942 116.0 46.9 -62.8 -49.5 10.0 -8.1 12.8 11 12 A E H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.887 108.1 57.4 -59.8 -40.4 13.1 -8.8 10.8 12 13 A L H X S+ 0 0 61 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.877 103.0 55.5 -58.5 -39.0 15.0 -6.1 12.7 13 14 A D H X S+ 0 0 106 -4,-1.5 4,-0.9 -3,-0.3 -2,-0.2 0.972 114.4 36.3 -58.4 -58.5 14.2 -7.9 16.0 14 15 A K H X S+ 0 0 84 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.852 113.7 60.8 -64.1 -35.1 15.8 -11.2 14.9 15 16 A W H < S+ 0 0 1 -4,-2.9 13,-0.5 1,-0.2 -1,-0.2 0.941 102.6 49.1 -57.5 -50.8 18.5 -9.3 13.1 16 17 A E H < S+ 0 0 97 -4,-2.5 12,-0.3 1,-0.2 -1,-0.2 0.768 111.5 53.4 -60.9 -25.3 19.8 -7.6 16.2 17 18 A K H < S+ 0 0 106 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.935 88.7 88.8 -75.3 -49.1 19.8 -11.0 17.8 18 19 A I S < S- 0 0 3 -4,-2.5 10,-2.4 9,-0.1 2,-0.3 -0.180 72.6-140.1 -51.7 139.2 21.9 -12.7 15.2 19 20 A R B -Ab 27 95A 86 75,-2.3 77,-1.5 8,-0.3 8,-0.2 -0.805 14.9-127.3-107.2 147.9 25.6 -12.5 15.9 20 21 A L S S+ 0 0 48 6,-1.7 77,-0.2 -2,-0.3 7,-0.1 0.847 97.6 28.8 -58.3 -35.0 28.4 -11.9 13.4 21 22 A R S > S- 0 0 170 5,-0.2 3,-0.7 75,-0.1 5,-0.1 -0.875 77.9-124.0-127.2 159.8 30.1 -15.0 14.7 22 23 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.827 113.2 23.4 -69.7 -33.2 29.0 -18.3 16.4 23 24 A G T 3 S+ 0 0 57 -3,-0.0 2,-0.1 -4,-0.0 72,-0.0 -0.233 104.0 104.4-128.9 45.6 31.2 -17.7 19.4 24 25 A G < - 0 0 23 -3,-0.7 3,-0.1 2,-0.1 -5,-0.0 -0.392 66.5-127.0-112.5-168.7 31.7 -13.9 19.5 25 26 A K S S+ 0 0 191 -2,-0.1 2,-0.3 1,-0.1 -6,-0.0 -0.204 77.2 91.2-136.2 43.1 30.5 -10.9 21.4 26 27 A K - 0 0 138 -5,-0.1 -6,-1.7 3,-0.0 -5,-0.2 -0.725 57.8-160.3-142.8 89.2 29.2 -8.6 18.7 27 28 A Q B -A 19 0A 111 -2,-0.3 -8,-0.3 -8,-0.2 2,-0.2 0.030 34.4 -84.2 -59.3 174.0 25.6 -8.9 17.7 28 29 A Y + 0 0 4 -10,-2.4 2,-0.3 -13,-0.5 -1,-0.1 -0.540 49.8 176.5 -84.7 150.1 24.2 -7.6 14.4 29 30 A K >> - 0 0 99 -2,-0.2 3,-2.2 -3,-0.1 4,-0.9 -0.952 48.6 -95.5-147.8 165.2 23.2 -4.0 13.9 30 31 A L H 3> S+ 0 0 81 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.803 115.8 74.7 -51.9 -30.2 21.9 -1.6 11.2 31 32 A K H 3> S+ 0 0 160 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.854 97.7 46.0 -51.9 -37.4 25.6 -0.6 10.8 32 33 A H H <> S+ 0 0 32 -3,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.839 109.1 53.9 -76.9 -34.2 26.1 -3.9 9.0 33 34 A I H X S+ 0 0 7 -4,-0.9 4,-1.1 -3,-0.2 -2,-0.2 0.865 116.4 38.6 -67.7 -37.0 23.0 -3.5 6.8 34 35 A V H X S+ 0 0 84 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.854 108.0 62.6 -79.9 -37.6 24.1 -0.1 5.6 35 36 A W H X S+ 0 0 97 -4,-1.9 4,-0.7 -5,-0.3 -2,-0.2 0.836 110.5 41.3 -56.5 -33.9 27.8 -1.0 5.4 36 37 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.813 107.5 60.5 -83.3 -33.3 26.9 -3.6 2.8 37 38 A S H X S+ 0 0 34 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.823 109.3 44.1 -63.3 -31.6 24.4 -1.3 1.0 38 39 A R H < S+ 0 0 191 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.753 115.1 48.0 -83.8 -26.8 27.2 1.1 0.3 39 40 A E H X S+ 0 0 54 -4,-0.7 4,-0.6 -5,-0.2 -2,-0.2 0.747 106.9 57.7 -83.9 -26.2 29.6 -1.7 -0.8 40 41 A L H ><>S+ 0 0 4 -4,-2.4 5,-2.0 1,-0.2 3,-1.8 0.943 100.2 54.5 -69.0 -49.4 27.0 -3.3 -3.1 41 42 A E G ><5S+ 0 0 115 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.771 102.5 61.1 -55.8 -25.9 26.5 -0.2 -5.2 42 43 A R G 345S+ 0 0 208 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.773 99.5 54.5 -72.5 -26.7 30.3 -0.2 -5.7 43 44 A F G <<5S- 0 0 87 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 -0.003 127.8 -97.5 -96.0 28.3 30.0 -3.7 -7.3 44 45 A A T < 5S+ 0 0 98 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.725 92.0 124.6 63.9 20.9 27.5 -2.4 -9.9 45 46 A V < - 0 0 24 -5,-2.0 -2,-0.3 -6,-0.1 -1,-0.2 -0.946 59.9-132.7-118.6 114.8 24.8 -3.9 -7.6 46 47 A N > - 0 0 104 -2,-0.5 3,-1.4 1,-0.1 4,-0.2 -0.294 14.9-128.3 -63.1 144.6 22.0 -1.6 -6.3 47 48 A P G > S+ 0 0 47 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.580 98.6 84.1 -69.8 -9.1 21.2 -1.8 -2.6 48 49 A G G > S+ 0 0 30 1,-0.2 3,-0.6 2,-0.2 7,-0.1 0.685 79.2 65.0 -67.9 -17.1 17.6 -2.3 -3.5 49 50 A L G X S+ 0 0 63 -3,-1.4 3,-1.8 1,-0.2 7,-0.7 0.752 86.5 69.7 -76.1 -24.9 18.4 -6.0 -3.8 50 51 A L G < S+ 0 0 4 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.766 97.2 52.9 -63.3 -25.1 19.2 -6.3 -0.1 51 52 A E G < S+ 0 0 68 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.3 0.052 98.9 82.2 -98.3 24.2 15.5 -5.8 0.5 52 53 A T <> - 0 0 47 -3,-1.8 4,-2.3 1,-0.1 5,-0.3 -0.983 68.8-147.6-134.7 123.8 14.5 -8.6 -1.8 53 54 A S H > S+ 0 0 62 -2,-0.4 4,-0.7 1,-0.2 -1,-0.1 0.754 106.2 47.1 -57.2 -23.9 14.5 -12.3 -1.0 54 55 A E H > S+ 0 0 155 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.914 108.2 51.3 -83.8 -49.4 15.5 -12.9 -4.7 55 56 A G H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 3,-0.5 0.926 106.5 54.6 -53.8 -49.8 18.2 -10.3 -4.9 56 57 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.7 -1,-0.2 0.886 106.5 52.6 -52.0 -42.8 20.0 -11.6 -1.9 57 58 A R H X S+ 0 0 141 -4,-0.7 4,-0.8 -5,-0.3 -1,-0.3 0.866 112.7 44.8 -62.4 -37.2 20.1 -15.1 -3.5 58 59 A Q H >X S+ 0 0 143 -4,-1.7 4,-0.8 -3,-0.5 3,-0.5 0.920 109.8 53.5 -73.2 -45.7 21.6 -13.6 -6.6 59 60 A I H >X S+ 0 0 13 -4,-3.1 4,-1.0 1,-0.3 3,-0.7 0.863 109.4 50.0 -57.2 -37.5 24.2 -11.5 -4.8 60 61 A L H 3X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.3 0.767 100.7 64.5 -72.9 -25.8 25.3 -14.6 -2.9 61 62 A G H << S+ 0 0 33 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.710 105.3 44.9 -70.1 -19.7 25.6 -16.5 -6.2 62 63 A Q H << S+ 0 0 114 -4,-0.8 -1,-0.2 -3,-0.7 4,-0.2 0.715 118.4 41.3 -94.1 -26.2 28.4 -14.1 -7.3 63 64 A L H < S+ 0 0 10 -4,-1.0 -2,-0.2 2,-0.1 -3,-0.1 0.723 101.4 72.3 -91.7 -25.8 30.3 -14.1 -4.0 64 65 A Q S >< S+ 0 0 49 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.968 106.9 33.7 -52.0 -61.7 29.9 -17.9 -3.4 65 66 A P T 3 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.666 118.6 56.6 -69.8 -16.6 32.4 -18.9 -6.1 66 67 A S T 3 S+ 0 0 43 -4,-0.2 -2,-0.2 1,-0.2 -3,-0.1 0.005 77.9 98.3-104.0 26.5 34.4 -15.8 -5.3 67 68 A L S X S+ 0 0 34 -3,-1.3 3,-0.6 2,-0.2 -1,-0.2 0.868 85.3 43.2 -79.8 -39.3 34.8 -16.7 -1.7 68 69 A Q T 3 S+ 0 0 169 -3,-0.3 -2,-0.1 -4,-0.3 -1,-0.1 0.926 124.6 34.7 -72.0 -46.7 38.3 -18.2 -2.1 69 70 A T T 3 S+ 0 0 136 -4,-0.3 2,-0.5 5,-0.0 -1,-0.2 0.046 98.5 113.1 -96.2 25.1 39.6 -15.4 -4.3 70 71 A G < - 0 0 19 -3,-0.6 5,-0.1 -7,-0.1 -3,-0.0 -0.856 63.3-130.0-104.2 131.6 37.5 -12.8 -2.5 71 72 A S > - 0 0 61 -2,-0.5 4,-2.0 1,-0.1 3,-0.4 0.046 42.2 -84.1 -64.2-179.8 39.1 -10.0 -0.5 72 73 A E H > S+ 0 0 155 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.850 131.1 57.6 -56.4 -35.7 38.1 -9.1 3.1 73 74 A E H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 105.1 49.6 -62.4 -42.9 35.3 -7.0 1.6 74 75 A L H > S+ 0 0 22 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.926 109.9 50.7 -62.5 -46.4 33.9 -10.0 -0.3 75 76 A R H X S+ 0 0 125 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.935 109.3 50.4 -57.3 -49.6 33.9 -12.2 2.8 76 77 A S H X S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 110.2 52.1 -57.2 -39.7 32.1 -9.6 4.9 77 78 A L H X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.973 106.2 50.3 -61.5 -57.0 29.5 -9.2 2.2 78 79 A Y H X S+ 0 0 9 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.801 112.3 52.4 -52.2 -30.0 28.7 -12.9 2.0 79 80 A N H X S+ 0 0 35 -4,-1.6 4,-2.1 -5,-0.2 3,-0.3 0.975 115.1 36.1 -71.3 -57.9 28.3 -12.8 5.8 80 81 A T H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.950 116.5 53.0 -60.9 -51.7 25.9 -9.9 6.0 81 82 A I H X S+ 0 0 1 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.766 110.3 53.0 -55.9 -25.3 24.0 -10.9 2.9 82 83 A A H X S+ 0 0 0 -4,-0.6 4,-2.7 -5,-0.4 5,-0.3 0.982 108.2 43.6 -74.3 -62.4 23.6 -14.3 4.4 83 84 A V H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.854 120.1 46.1 -51.7 -37.6 22.1 -13.4 7.8 84 85 A L H >X S+ 0 0 2 -4,-2.4 4,-1.6 -5,-0.2 3,-1.1 0.941 109.3 52.6 -71.8 -49.3 19.8 -11.0 6.0 85 86 A Y H 3X S+ 0 0 5 -4,-2.0 4,-1.5 -5,-0.3 3,-0.4 0.927 103.6 57.3 -52.1 -50.5 18.8 -13.5 3.2 86 87 A C H 3X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.3 -1,-0.3 0.801 106.0 53.1 -52.0 -30.1 17.8 -16.1 5.8 87 88 A V H << S+ 0 0 31 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.900 107.0 48.7 -73.2 -42.5 15.5 -13.5 7.2 88 89 A H H < S+ 0 0 34 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.664 122.1 36.8 -72.2 -16.5 13.8 -12.8 3.8 89 90 A Q H < S- 0 0 73 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.870 116.5 -93.0 -97.7 -71.9 13.4 -16.6 3.3 90 91 A R S < S+ 0 0 232 -4,-1.5 -4,-0.1 1,-0.2 -3,-0.1 0.158 79.4 120.9-179.3 -35.5 12.6 -18.3 6.5 91 92 A I - 0 0 36 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.227 41.1-164.6 -51.7 130.7 15.8 -19.5 8.1 92 93 A D + 0 0 93 -3,-0.1 -1,-0.1 -5,-0.0 -5,-0.1 -0.407 17.7 178.4-117.0 54.3 16.3 -18.0 11.5 93 94 A V - 0 0 5 1,-0.1 -75,-0.1 -10,-0.1 3,-0.1 -0.024 28.4-141.9 -52.1 160.4 20.0 -18.7 12.1 94 95 A K S S+ 0 0 112 1,-0.1 -75,-2.3 -76,-0.1 2,-0.3 0.699 79.7 17.5 -98.3 -26.1 21.6 -17.5 15.3 95 96 A D B > S-b 19 0A 19 -77,-0.3 4,-1.3 -75,-0.1 -75,-0.2 -0.863 80.5-104.8-139.2 172.7 24.9 -16.5 13.8 96 97 A T H > S+ 0 0 2 -77,-1.5 4,-1.2 -2,-0.3 -75,-0.1 0.877 116.1 59.0 -67.2 -38.6 26.5 -15.8 10.4 97 98 A K H >> S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 3,-1.2 0.943 103.9 49.7 -55.6 -52.1 28.3 -19.2 10.3 98 99 A E H 3> S+ 0 0 85 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.869 104.6 59.8 -55.7 -38.7 25.0 -21.1 10.6 99 100 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.810 103.2 52.7 -60.3 -30.2 23.7 -19.0 7.7 100 101 A L H X S+ 0 0 101 -4,-1.7 3,-1.2 1,-0.2 4,-0.9 0.864 112.4 57.8 -76.7 -38.2 23.1 -25.2 -3.2 108 109 A N H >X S+ 0 0 78 -4,-2.3 4,-1.0 1,-0.3 3,-0.7 0.848 95.0 66.2 -60.5 -34.8 24.9 -28.5 -2.4 109 110 A K H 3< S+ 0 0 134 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.803 100.2 51.3 -57.2 -29.5 21.7 -30.4 -3.0 110 111 A S H X> S+ 0 0 45 -3,-1.2 4,-2.6 -4,-0.4 3,-1.4 0.776 95.3 70.3 -78.7 -27.9 22.0 -29.3 -6.6 111 112 A K H << S+ 0 0 111 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.878 86.7 66.1 -56.1 -39.8 25.5 -30.6 -6.9 112 113 A K T 3< S+ 0 0 142 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.822 113.0 33.5 -52.1 -32.6 24.2 -34.2 -6.6 113 114 A K T <4 S- 0 0 123 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.923 75.8-179.0 -88.3 -56.6 22.6 -33.6 -10.0 114 115 A A < + 0 0 51 -4,-2.6 -3,-0.1 1,-0.1 -2,-0.1 0.893 45.8 116.2 55.1 42.7 25.1 -31.2 -11.7 115 116 A Q S S+ 0 0 134 -5,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.737 84.8 19.9-107.1 -36.8 22.8 -31.0 -14.8 116 117 A Q S S+ 0 0 157 -6,-0.2 3,-0.5 1,-0.1 4,-0.4 0.685 125.3 53.0-104.7 -27.7 21.9 -27.4 -14.8 117 118 A A S S+ 0 0 47 -7,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.018 101.7 64.3 -96.9 26.6 24.7 -26.1 -12.6 118 119 A A S S+ 0 0 57 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.108 88.8 63.2-139.4 36.9 27.4 -27.7 -14.8 119 120 A A S S+ 0 0 78 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.1 0.635 103.6 37.2-125.6 -48.6 27.0 -25.9 -18.2 120 121 A D S S+ 0 0 164 -4,-0.4 -3,-0.1 2,-0.0 -2,-0.0 0.864 100.9 86.7 -76.6 -38.1 27.8 -22.3 -17.7 121 122 A T - 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