==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION/INHIBITOR 05-MAR-11 3AVK . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR T.S.PEAT,J.J.DEADMAN,J.NEWMAN,D.I.RHODES . 314 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 6 1.9 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 2 0 0 0 2 0 0 0 2 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 4 0 0 0 0 2 0 2 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 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 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 57 A S > 0 0 90 0, 0.0 3,-0.9 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -29.0 -21.2 10.7 -0.7 2 58 A P T 3 + 0 0 32 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.849 360.0 43.4 -61.2 -26.8 -18.7 12.5 -3.0 3 59 A G T 3 S+ 0 0 7 51,-0.1 53,-2.2 19,-0.0 52,-1.8 0.285 88.4 110.4-102.5 9.7 -21.7 14.4 -4.6 4 60 A I E < +a 56 0A 47 -3,-0.9 19,-1.6 51,-0.2 20,-0.5 -0.776 37.6 171.8 -98.7 125.9 -23.7 15.4 -1.4 5 61 A W E -aB 57 22A 0 51,-2.5 53,-2.8 -2,-0.5 2,-0.4 -0.856 18.5-149.3-125.0 153.5 -24.0 19.0 -0.2 6 62 A Q E -aB 58 21A 28 15,-2.4 15,-3.0 -2,-0.3 2,-0.2 -0.994 13.2-137.3-122.7 135.5 -26.1 20.7 2.5 7 63 A L E - B 0 20A 1 51,-3.2 2,-0.3 -2,-0.4 13,-0.2 -0.578 21.4-176.9 -89.1 152.2 -27.4 24.2 2.4 8 64 A D E - B 0 19A 10 11,-2.5 11,-3.2 -2,-0.2 2,-0.5 -0.996 10.0-161.1-149.7 135.7 -27.2 26.5 5.5 9 65 A C E + B 0 18A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 16.0 170.0-127.3 125.4 -28.5 30.0 6.0 10 66 A T E - B 0 17A 11 7,-2.6 7,-3.2 -2,-0.5 2,-0.4 -0.913 23.3-128.3-129.6 162.4 -27.2 32.2 8.8 11 67 A H E + B 0 16A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.912 28.8 157.3-118.5 142.1 -27.6 36.0 9.6 12 68 A L E > + B 0 15A 45 3,-1.9 3,-2.3 -2,-0.4 -2,-0.0 -0.944 68.2 2.5-151.8 143.8 -25.1 38.7 10.4 13 69 A E T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.800 126.5 -59.6 56.2 28.5 -25.3 42.5 10.2 14 70 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.617 120.3 99.0 77.8 8.6 -28.8 42.5 9.0 15 71 A K E < S-B 12 0A 84 -3,-2.3 -3,-1.9 20,-0.0 2,-0.4 -0.690 72.2-116.1-125.9 169.6 -27.8 40.4 6.0 16 72 A V E -BC 11 33A 6 17,-2.8 17,-2.5 -2,-0.2 2,-0.6 -0.925 13.6-155.9-113.7 138.4 -28.0 36.7 5.2 17 73 A I E -BC 10 32A 4 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.5 -0.973 12.3-158.5-112.5 115.7 -25.0 34.4 4.6 18 74 A L E -BC 9 31A 0 13,-2.5 13,-2.2 -2,-0.6 2,-0.4 -0.871 13.6-171.0 -94.2 129.8 -25.9 31.4 2.4 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.5 -0.961 17.3-158.4-123.5 138.3 -23.5 28.5 2.8 20 76 A A E -BC 7 29A 0 9,-2.7 9,-1.9 -2,-0.4 2,-0.5 -0.983 15.9-161.4-111.5 127.7 -23.2 25.2 0.9 21 77 A V E -BC 6 28A 18 -15,-3.0 -15,-2.4 -2,-0.5 2,-0.9 -0.912 18.4-139.1-109.3 131.1 -21.3 22.5 2.8 22 78 A H E >> -B 5 0A 0 5,-3.1 4,-2.7 -2,-0.5 3,-0.8 -0.744 24.5-150.2 -84.3 110.1 -19.8 19.4 1.2 23 79 A V T 34 S+ 0 0 83 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.872 85.8 48.2 -60.9 -41.7 -20.9 16.9 3.8 24 80 A A T 34 S+ 0 0 44 -23,-0.5 -1,-0.3 -20,-0.5 -19,-0.1 0.760 126.6 25.6 -72.1 -28.1 -18.1 14.3 3.6 25 81 A S T <4 S- 0 0 4 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.657 92.3-127.8-104.3 -24.1 -15.2 16.9 3.7 26 82 A G < + 0 0 22 -4,-2.7 -3,-0.1 1,-0.3 111,-0.1 0.450 56.5 150.3 74.4 12.0 -16.7 20.0 5.6 27 83 A Y - 0 0 1 -5,-0.4 -5,-3.1 110,-0.3 2,-0.3 -0.431 27.8-162.9 -69.6 144.0 -15.5 22.2 2.6 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.892 24.9-167.3-128.3 159.0 -17.8 25.2 2.2 29 85 A E E +C 20 0A 9 -9,-1.9 -9,-2.7 -2,-0.3 2,-0.3 -0.969 24.0 176.9-130.2 155.4 -18.7 27.9 -0.3 30 86 A A E -C 19 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.993 15.2-169.9-154.8 157.1 -20.7 31.0 0.8 31 87 A E E -C 18 0A 16 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.5 -0.978 22.6-122.8-142.5 161.6 -22.2 34.3 -0.3 32 88 A V E +C 17 0A 30 -2,-0.3 -15,-0.2 -15,-0.2 85,-0.1 -0.907 32.8 167.9-104.4 134.8 -23.9 37.3 1.2 33 89 A I E -C 16 0A 9 -17,-2.5 -17,-2.8 -2,-0.5 3,-0.1 -0.921 43.5-119.4-139.2 157.8 -27.4 38.4 0.0 34 90 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.892 95.6 -3.6 -71.6 -31.3 -29.9 40.9 1.5 35 91 A A S S- 0 0 50 -20,-0.1 2,-0.5 -19,-0.1 5,-0.1 -0.989 78.2-101.7-158.9 151.8 -32.5 38.2 2.1 36 92 A E + 0 0 48 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.684 51.0 163.2 -79.6 118.3 -32.9 34.4 1.4 37 93 A T > - 0 0 61 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.913 50.9-115.0-126.3 162.9 -35.2 34.1 -1.7 38 94 A G H > S+ 0 0 20 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.876 118.5 53.0 -62.1 -40.6 -35.8 31.1 -4.0 39 95 A Q H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.0 44.1 -63.6 -44.1 -34.2 33.1 -6.8 40 96 A E H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 115.8 48.7 -68.1 -38.6 -31.0 33.9 -4.9 41 97 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 109.9 51.4 -66.5 -39.8 -30.8 30.2 -3.7 42 98 A A H X S+ 0 0 2 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.906 110.5 48.5 -61.1 -45.5 -31.4 28.9 -7.2 43 99 A Y H X S+ 0 0 21 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.911 110.1 52.9 -62.5 -42.2 -28.5 31.2 -8.6 44 100 A F H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.886 109.8 47.4 -61.6 -41.3 -26.2 30.0 -5.8 45 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.869 108.3 54.6 -69.1 -34.7 -26.8 26.4 -6.6 46 102 A L H X S+ 0 0 3 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.919 110.5 47.6 -60.5 -41.6 -26.3 27.0 -10.3 47 103 A K H X S+ 0 0 40 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.936 112.1 49.2 -58.3 -49.8 -22.8 28.5 -9.3 48 104 A L H >X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 3,-0.9 0.895 109.6 50.8 -60.7 -46.0 -22.0 25.6 -7.0 49 105 A A H 3< S+ 0 0 2 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.722 104.9 56.0 -73.6 -17.2 -22.8 22.9 -9.6 50 106 A G H 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.697 115.1 41.7 -79.2 -13.1 -20.7 24.5 -12.3 51 107 A R H << S+ 0 0 17 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.761 123.6 19.8-102.9 -37.8 -17.8 24.3 -9.9 52 108 A W S < S- 0 0 5 -4,-2.1 2,-1.7 -49,-0.0 -1,-0.2 -0.949 88.3 -95.8-133.7 161.6 -18.1 20.9 -8.3 53 109 A P - 0 0 65 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.545 47.4-171.6 -85.8 87.8 -20.0 17.7 -9.2 54 110 A V + 0 0 11 -2,-1.7 -50,-0.1 -5,-0.3 3,-0.1 -0.673 18.1 164.9 -84.8 113.7 -23.1 18.2 -7.2 55 111 A K + 0 0 142 -52,-1.8 25,-2.7 -2,-0.7 2,-0.4 0.837 67.2 12.2 -94.6 -41.6 -25.3 15.1 -7.1 56 112 A T E -ad 4 80A 7 -53,-2.2 -51,-2.5 23,-0.2 2,-0.5 -0.998 58.9-161.5-139.8 138.2 -27.7 15.9 -4.3 57 113 A V E -ad 5 81A 0 23,-2.5 25,-3.0 -2,-0.4 2,-0.7 -0.992 11.7-149.6-121.3 126.1 -28.4 19.0 -2.3 58 114 A H E -ad 6 82A 39 -53,-2.8 -51,-3.2 -2,-0.5 25,-0.2 -0.832 30.7-131.7 -84.0 116.6 -30.2 18.9 1.1 59 115 A T - 0 0 1 23,-2.6 3,-0.1 -2,-0.7 6,-0.0 -0.279 4.3-128.1 -76.3 160.3 -32.0 22.2 1.2 60 116 A D S S+ 0 0 37 1,-0.1 2,-0.3 23,-0.1 -51,-0.2 0.641 82.0 0.7 -85.1 -22.9 -31.8 24.4 4.3 61 117 A N S > S- 0 0 59 -53,-0.1 4,-1.6 1,-0.0 -1,-0.1 -0.961 76.3 -98.4-157.9 176.0 -35.6 24.9 4.8 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.774 115.7 60.7 -79.3 -23.1 -39.0 23.9 3.4 63 119 A S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 109.0 42.6 -69.5 -44.3 -39.4 27.2 1.5 64 120 A N H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.809 113.7 53.1 -67.6 -29.7 -36.3 26.5 -0.6 65 121 A F H < S+ 0 0 73 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.4 39.2 -66.6 -39.7 -37.4 22.9 -0.9 66 122 A T H < S+ 0 0 96 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.784 87.6 116.0 -76.7 -34.5 -40.8 24.1 -2.2 67 123 A S X - 0 0 23 -4,-2.1 4,-2.3 -5,-0.2 5,-0.1 -0.122 56.2-152.0 -51.9 124.8 -39.6 26.9 -4.4 68 124 A T H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.858 97.5 54.2 -65.7 -32.5 -40.3 26.4 -8.1 69 125 A T H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 109.2 46.5 -67.2 -42.4 -37.2 28.5 -9.0 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 112.6 50.7 -63.6 -40.0 -34.9 26.4 -6.8 71 127 A K H X S+ 0 0 85 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.913 109.5 52.3 -64.6 -37.6 -36.5 23.2 -8.3 72 128 A A H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.887 110.3 46.8 -63.7 -45.6 -35.9 24.6 -11.8 73 129 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 233,-0.3 6,-0.2 0.901 112.2 49.6 -63.6 -41.4 -32.2 25.3 -11.1 74 130 A C H <>S+ 0 0 3 -4,-2.5 5,-3.0 2,-0.2 4,-0.5 0.950 113.0 48.1 -64.1 -39.4 -31.7 21.8 -9.6 75 131 A W H ><5S+ 0 0 183 -4,-3.0 3,-1.3 -5,-0.2 -2,-0.2 0.953 112.5 49.0 -59.6 -48.7 -33.4 20.4 -12.7 76 132 A W H 3<5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.923 116.8 40.6 -58.3 -49.1 -31.1 22.5 -15.0 77 133 A A T 3<5S- 0 0 7 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.345 113.6-112.7 -85.2 2.3 -27.9 21.6 -13.2 78 134 A G T < 5 + 0 0 59 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.845 64.3 149.6 73.4 31.1 -28.8 17.9 -12.8 79 135 A I < - 0 0 13 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.851 47.8-131.7-103.6 141.3 -29.1 18.0 -8.9 80 136 A K E -d 56 0A 133 -25,-2.7 -23,-2.5 -2,-0.4 2,-0.5 -0.778 25.6-145.8 -85.3 118.3 -31.4 15.9 -6.9 81 137 A Q E +d 57 0A 31 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.716 27.2 171.6 -92.8 126.7 -33.1 18.3 -4.6 82 138 A E E -d 58 0A 50 -25,-3.0 -23,-2.6 -2,-0.5 2,-0.0 -0.821 35.7 -98.2-127.4 169.5 -33.8 16.8 -1.2 83 139 A D - 0 0 51 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.216 25.1-136.2 -78.2 179.4 -35.0 17.9 2.2 84 140 A G + 0 0 27 -26,-0.2 -1,-0.1 -78,-0.1 -26,-0.1 -0.069 43.2 154.8-130.0 31.6 -32.4 18.7 5.0 85 141 A I - 0 0 94 1,-0.1 2,-2.7 2,-0.0 3,-0.3 -0.463 50.5-125.2 -62.8 128.8 -34.2 17.0 7.9 86 142 A P + 0 0 48 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.440 45.0 161.7 -78.4 67.9 -31.5 16.0 10.4 87 143 A Y S S+ 0 0 180 -2,-2.7 3,-0.1 1,-0.2 -2,-0.0 0.800 77.9 56.7 -60.2 -28.9 -32.5 12.3 10.4 88 144 A N S > S- 0 0 92 -3,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.940 87.2-155.6 -93.4 114.9 -29.1 12.1 11.9 89 145 A P T >> S+ 0 0 87 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.781 85.3 74.6 -72.3 -16.7 -29.4 14.4 14.9 90 146 A Q H 3> S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.804 84.1 72.4 -58.7 -30.9 -25.6 15.1 15.0 91 147 A S H <> S+ 0 0 50 -3,-1.5 4,-2.4 2,-0.2 5,-0.3 0.838 90.5 53.5 -46.9 -49.4 -26.2 17.3 11.8 92 148 A Q H <> S+ 0 0 118 -3,-1.1 4,-2.6 -4,-0.4 -1,-0.2 0.955 112.0 46.2 -57.5 -46.6 -28.0 20.1 13.7 93 149 A G H X S+ 0 0 41 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.895 111.7 50.3 -61.7 -43.3 -25.0 20.4 16.1 94 150 A V H X S+ 0 0 101 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.944 113.6 44.8 -66.0 -45.3 -22.4 20.3 13.3 95 151 A I H X S+ 0 0 42 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.911 113.7 49.8 -62.9 -43.7 -24.1 23.1 11.3 96 152 A E H X S+ 0 0 118 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.915 112.1 48.0 -64.6 -41.6 -24.7 25.2 14.4 97 153 A S H X S+ 0 0 74 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.920 110.7 51.8 -70.3 -38.4 -21.0 24.8 15.4 98 154 A M H X S+ 0 0 16 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.932 108.5 50.7 -59.7 -40.0 -19.9 25.7 11.8 99 155 A N H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.914 110.4 49.7 -66.8 -39.7 -22.0 28.8 11.9 100 156 A K H X S+ 0 0 138 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.956 112.2 47.3 -56.6 -50.9 -20.5 29.9 15.2 101 157 A E H X S+ 0 0 59 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.879 112.1 50.8 -52.2 -52.3 -16.9 29.3 13.9 102 158 A L H X S+ 0 0 8 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.941 111.5 46.8 -59.0 -44.8 -17.7 31.2 10.7 103 159 A K H X S+ 0 0 73 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.889 110.0 53.7 -63.9 -35.3 -19.1 34.2 12.6 104 160 A K H X S+ 0 0 143 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 111.8 46.3 -60.7 -44.6 -16.1 34.1 15.0 105 161 A I H X S+ 0 0 11 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.911 108.5 53.8 -67.8 -45.7 -13.8 34.3 12.0 106 162 A I H X S+ 0 0 4 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.906 108.5 50.7 -53.7 -42.7 -15.7 37.0 10.3 107 163 A G H < S+ 0 0 53 -4,-2.0 4,-0.4 1,-0.2 3,-0.4 0.918 108.0 53.4 -58.3 -38.7 -15.4 39.1 13.5 108 164 A Q H < S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.747 121.5 29.7 -69.7 -29.4 -11.6 38.4 13.5 109 165 A V H >< S+ 0 0 6 -4,-1.7 3,-2.1 -3,-0.2 4,-0.5 0.433 89.1 103.6-102.8 -4.9 -11.2 39.7 10.0 110 166 A R G >< S+ 0 0 62 -4,-1.0 3,-1.3 -3,-0.4 -2,-0.1 0.860 78.4 51.5 -61.9 -34.7 -14.0 42.2 9.8 111 167 A D G 3 S+ 0 0 114 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.594 99.6 65.1 -76.9 -7.6 -11.9 45.4 10.1 112 168 A Q G < S+ 0 0 65 -3,-2.1 203,-2.2 202,-0.1 2,-0.4 0.538 101.6 61.6 -80.7 -9.6 -9.6 44.3 7.3 113 169 A A < - 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0 0 95 -4,-1.4 7,-0.5 -3,-0.3 2,-0.5 -0.336 62.1-135.9 -59.9 122.7 -17.9 19.0 -21.4 282 187 B R B J 287 0D 143 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.677 360.0 360.0 -80.6 122.4 -16.1 15.7 -22.2 283 188 B K 0 0 165 3,-2.1 3,-0.2 -2,-0.5 -1,-0.1 -0.247 360.0 360.0-147.3 360.0 -13.2 16.4 -24.6 284 ! 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 0.0 285 193 B G 0 0 84 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 108.0 -12.4 11.4 -22.4 286 194 B Y - 0 0 126 -3,-0.2 -3,-2.1 -4,-0.1 2,-0.2 -0.578 360.0-125.2-103.8 160.9 -12.4 13.6 -19.3 287 195 B S B > -J 282 0D 8 -5,-0.2 4,-2.6 -2,-0.2 5,-0.2 -0.630 30.3-108.1 -93.0 169.8 -14.0 17.0 -18.5 288 196 B A H > S+ 0 0 2 -7,-0.5 4,-2.7 -10,-0.5 -110,-0.3 0.857 121.8 55.2 -62.2 -39.8 -12.1 20.1 -17.3 289 197 B G H > S+ 0 0 21 -10,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.886 110.8 44.7 -63.7 -37.6 -13.8 19.6 -13.8 290 198 B E H > S+ 0 0 36 -11,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.7 51.6 -69.6 -39.6 -12.4 16.0 -13.7 291 199 B R H X S+ 0 0 83 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.915 108.0 51.0 -67.3 -39.2 -9.0 17.1 -14.9 292 200 B I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.951 113.0 44.8 -67.6 -42.2 -8.6 19.8 -12.3 293 201 B V H X S+ 0 0 3 -4,-1.6 4,-3.1 -5,-0.2 5,-0.2 0.942 113.7 50.6 -64.3 -39.3 -9.5 17.5 -9.4 294 202 B D H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 112.6 47.4 -62.8 -46.8 -7.2 14.7 -10.8 295 203 B I H X S+ 0 0 41 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.954 115.3 42.5 -61.1 -49.6 -4.3 17.2 -11.1 296 204 B I H X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.921 114.2 51.6 -69.7 -35.3 -4.7 18.7 -7.7 297 205 B A H X S+ 0 0 6 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.899 108.5 51.9 -67.2 -34.7 -5.2 15.3 -6.0 298 206 B T H < S+ 0 0 91 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.918 111.0 48.0 -66.7 -42.0 -2.1 14.0 -7.7 299 207 B D H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.5 51.1 -61.8 -43.4 -0.2 17.0 -6.3 300 208 B I H < 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.891 360.0 360.0 -64.4 -37.0 -1.6 16.5 -2.8 301 209 B Q < 0 0 130 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.431 360.0 360.0 -72.5 360.0 -0.6 12.7 -2.7 302 !* 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 0.0 303 1 D S 0 0 55 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 20.6 -41.3 34.9 -15.3 304 2 D L + 0 0 152 5,-1.4 2,-0.3 1,-0.3 5,-0.2 0.740 360.0 124.2 60.5 32.3 -40.7 31.3 -16.7 305 3 D K B > S-K 308 0E 64 3,-2.0 3,-1.4 1,-0.1 -1,-0.3 -0.827 73.8-117.0-113.9 153.8 -36.8 31.6 -16.5 306 4 D I T 3 S+ 0 0 16 -43,-2.3 -233,-0.3 -2,-0.3 3,-0.3 0.807 119.0 44.2 -55.9 -33.6 -34.6 29.2 -14.5 307 5 D D T 3 S+ 0 0 8 -44,-0.3 -1,-0.3 1,-0.3 -264,-0.2 0.374 130.5 22.7 -93.5 1.4 -33.5 32.1 -12.3 308 6 D N B < -K 305 0E 19 -3,-1.4 -3,-2.0 -239,-0.1 -1,-0.3 -0.498 60.4-177.0-169.0 84.1 -37.1 33.4 -11.9 309 7 D E 0 0 45 1,-0.3 -5,-1.4 -3,-0.3 -3,-0.1 0.699 360.0 360.0 -71.9 -15.4 -39.9 31.0 -12.5 310 8 D D 0 0 154 -7,-0.3 -1,-0.3 -6,-0.1 -2,-0.0 0.747 360.0 360.0 -57.3 360.0 -42.5 33.8 -11.9 311 !* 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 0.0 312 1 F S 0 0 61 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 13.0 -9.7 53.0 2.1 313 2 F L + 0 0 153 5,-1.7 2,-0.3 1,-0.3 5,-0.2 0.795 360.0 125.1 55.6 37.9 -6.8 50.9 3.4 314 3 F K B > S-L 317 0F 64 3,-1.9 3,-1.4 1,-0.1 -1,-0.3 -0.868 74.7-116.6-118.0 152.2 -9.0 47.7 3.2 315 4 F I T 3 S+ 0 0 15 -203,-2.2 -91,-0.3 -2,-0.3 3,-0.3 0.767 119.2 43.5 -55.3 -32.3 -8.0 44.5 1.3 316 5 F D T 3 S+ 0 0 9 -204,-0.3 -1,-0.3 1,-0.3 -122,-0.2 0.351 130.6 23.8 -96.2 1.7 -11.0 45.1 -1.0 317 6 F N B < -L 314 0F 15 -3,-1.4 -3,-1.9 -97,-0.1 -1,-0.3 -0.470 61.4-177.0-165.0 85.5 -10.4 48.8 -1.3 318 7 F E 0 0 42 1,-0.3 -5,-1.7 -3,-0.3 -3,-0.1 0.745 360.0 360.0 -71.4 -19.3 -6.9 50.0 -0.7 319 8 F D 0 0 150 -7,-0.3 -1,-0.3 -6,-0.1 -2,-0.0 0.773 360.0 360.0 -53.4 360.0 -7.9 53.7 -1.2