==== 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 3AVM . 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) . 14853.0 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.0 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 . 3 0 0 0 0 0 2 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 88 0, 0.0 3,-1.1 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -26.8 -1.4 -23.9 0.0 2 58 A P T 3 + 0 0 32 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.826 360.0 46.8 -60.8 -25.0 1.5 -22.5 2.2 3 59 A G T 3 S+ 0 0 7 51,-0.1 52,-2.2 52,-0.0 53,-2.1 0.296 88.6 109.7 -97.1 7.8 1.6 -26.0 3.8 4 60 A I E < +a 56 0A 43 -3,-1.1 19,-1.4 51,-0.2 20,-0.5 -0.755 37.4 170.4-101.8 125.7 1.4 -28.2 0.6 5 61 A W E -aB 57 22A 1 51,-2.4 53,-2.7 -2,-0.5 2,-0.4 -0.884 19.8-148.2-128.1 158.0 4.4 -30.2 -0.6 6 62 A Q E -aB 58 21A 27 15,-2.2 15,-3.1 -2,-0.3 2,-0.2 -0.995 13.4-139.3-126.7 128.4 4.8 -33.0 -3.3 7 63 A L E - B 0 20A 1 51,-3.0 2,-0.3 -2,-0.4 13,-0.2 -0.585 21.8-176.9 -85.9 154.0 7.3 -35.8 -3.1 8 64 A D E - B 0 19A 9 11,-2.5 11,-3.2 -2,-0.2 2,-0.5 -0.993 11.4-159.1-152.4 135.8 9.2 -36.8 -6.3 9 65 A C E + B 0 18A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 16.5 171.8-124.0 127.3 11.7 -39.7 -6.7 10 66 A T E - B 0 17A 10 7,-2.5 7,-3.3 -2,-0.5 2,-0.3 -0.900 21.9-131.2-130.9 163.0 14.2 -39.6 -9.7 11 67 A H E + B 0 16A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.891 27.9 158.9-121.1 147.3 17.3 -41.9 -10.5 12 68 A L E > + B 0 15A 43 3,-2.2 3,-1.8 -2,-0.3 -2,-0.0 -0.901 68.3 4.4-161.5 137.4 20.9 -41.1 -11.4 13 69 A E T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.816 127.4 -59.6 57.9 33.5 24.0 -43.2 -11.2 14 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.690 120.3 103.3 67.6 16.0 22.2 -46.3 -10.1 15 71 A K E < S-B 12 0A 88 -3,-1.8 -3,-2.2 20,-0.0 2,-0.4 -0.795 70.2-118.1-125.1 175.0 21.0 -44.3 -7.1 16 72 A V E -BC 11 33A 8 17,-2.0 17,-2.5 -2,-0.3 2,-0.6 -0.916 12.9-158.6-118.4 133.0 17.8 -42.6 -6.0 17 73 A I E -BC 10 32A 2 -7,-3.3 -7,-2.5 -2,-0.4 2,-0.5 -0.965 11.8-157.9-111.2 116.7 17.3 -38.9 -5.4 18 74 A L E -BC 9 31A 0 13,-2.3 13,-2.2 -2,-0.6 2,-0.4 -0.852 14.6-171.6 -94.2 130.1 14.2 -38.2 -3.2 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.5 -0.960 18.0-159.3-123.8 141.0 12.8 -34.6 -3.6 20 76 A A E -BC 7 29A 0 9,-2.6 9,-1.8 -2,-0.4 2,-0.5 -0.986 15.4-161.4-113.8 130.2 10.2 -32.7 -1.8 21 77 A V E -BC 6 28A 16 -15,-3.1 -15,-2.2 -2,-0.5 2,-0.9 -0.921 18.8-139.9-113.8 128.2 8.8 -29.7 -3.6 22 78 A H E >>> -BC 5 27A 0 5,-2.8 4,-2.8 -2,-0.5 3,-0.9 -0.788 25.2-151.4 -79.4 108.3 6.9 -26.9 -2.0 23 79 A V T 345S+ 0 0 86 -19,-1.4 -1,-0.2 -2,-0.9 -18,-0.1 0.858 85.4 49.4 -62.3 -44.0 4.2 -26.6 -4.7 24 80 A A T 345S+ 0 0 47 -23,-0.5 -1,-0.3 -20,-0.5 -19,-0.1 0.772 126.5 25.4 -69.5 -25.1 3.4 -22.8 -4.4 25 81 A S T <45S- 0 0 4 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.642 92.6-127.8-107.7 -22.6 7.0 -21.7 -4.5 26 82 A G T <5 + 0 0 23 -4,-2.8 -3,-0.2 1,-0.3 111,-0.1 0.529 57.1 149.2 77.7 5.8 9.0 -24.4 -6.3 27 83 A Y E < -C 22 0A 1 -5,-0.6 -5,-2.8 110,-0.3 2,-0.3 -0.484 28.1-161.8 -70.0 147.3 11.4 -24.5 -3.4 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.876 26.6-167.0-131.6 156.6 13.0 -27.9 -2.8 29 85 A E E +C 20 0A 10 -9,-1.8 -9,-2.6 -2,-0.3 2,-0.3 -0.961 25.8 174.6-127.2 152.1 14.8 -30.2 -0.4 30 86 A A E -C 19 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 15.4-171.6-153.9 160.6 16.4 -33.4 -1.6 31 87 A E E -C 18 0A 18 -13,-2.2 -13,-2.3 -2,-0.3 2,-0.5 -0.985 25.0-121.9-148.3 159.1 18.6 -36.4 -0.5 32 88 A V E +C 17 0A 32 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.887 33.8 172.9-100.4 134.7 20.4 -39.3 -2.1 33 89 A I E -C 16 0A 7 -17,-2.5 -17,-2.0 -2,-0.5 3,-0.1 -0.900 41.4-119.5-134.2 157.2 19.4 -42.8 -0.8 34 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.926 95.1 -10.2 -68.2 -34.5 20.4 -46.3 -2.1 35 91 A A S S- 0 0 51 -20,-0.1 2,-0.6 -19,-0.1 5,-0.1 -0.991 77.8 -98.6-157.0 157.5 16.7 -47.2 -2.8 36 92 A E + 0 0 48 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.648 52.8 161.1 -83.7 113.0 13.3 -45.7 -2.1 37 93 A T > - 0 0 62 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.881 52.5-111.9-121.2 165.5 11.9 -47.6 0.9 38 94 A G H > S+ 0 0 18 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.917 119.0 53.8 -60.3 -41.6 9.1 -46.6 3.3 39 95 A Q H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 110.5 45.3 -61.4 -42.5 11.6 -46.2 6.1 40 96 A E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 115.5 47.8 -66.3 -42.0 13.8 -43.8 4.0 41 97 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.911 110.8 50.8 -65.2 -39.5 10.8 -41.9 2.9 42 98 A A H X S+ 0 0 8 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.897 111.5 47.9 -62.1 -43.4 9.4 -41.6 6.5 43 99 A Y H X S+ 0 0 31 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.887 110.1 51.5 -68.6 -41.4 12.7 -40.3 7.8 44 100 A F H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 110.9 48.5 -62.7 -39.3 13.0 -37.7 5.0 45 101 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.881 108.4 53.5 -69.2 -34.7 9.4 -36.5 5.8 46 102 A L H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.931 111.8 47.6 -61.8 -46.7 10.2 -36.3 9.6 47 103 A K H X S+ 0 0 39 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.950 112.9 46.6 -58.2 -50.8 13.2 -34.1 8.6 48 104 A L H >X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 3,-0.8 0.899 111.5 50.7 -58.7 -47.2 11.3 -31.9 6.3 49 105 A A H 3< S+ 0 0 1 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.780 105.4 55.7 -71.7 -21.4 8.4 -31.3 8.8 50 106 A G H 3< S+ 0 0 1 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.719 115.5 41.5 -74.5 -18.1 10.8 -30.3 11.6 51 107 A R H << S+ 0 0 19 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.1 0.768 123.7 20.6-101.3 -32.7 12.2 -27.6 9.2 52 108 A W S < S- 0 0 7 -4,-2.1 2,-1.7 -49,-0.0 -1,-0.2 -0.949 89.7 -95.7-134.1 159.7 9.0 -26.1 7.5 53 109 A P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.519 47.5-171.7 -80.5 85.3 5.3 -26.1 8.5 54 110 A V + 0 0 12 -2,-1.7 -50,-0.2 -5,-0.3 3,-0.1 -0.645 18.2 163.6 -84.8 113.6 4.3 -29.1 6.4 55 111 A K + 0 0 139 -52,-2.2 25,-2.8 -2,-0.6 2,-0.4 0.828 66.6 15.1 -96.3 -41.1 0.5 -29.5 6.4 56 112 A T E -ad 4 80A 7 -53,-2.1 -51,-2.4 23,-0.2 2,-0.5 -0.994 59.5-162.8-137.4 136.7 -0.1 -31.9 3.5 57 113 A V E -ad 5 81A 0 23,-2.4 25,-2.9 -2,-0.4 2,-0.7 -0.987 11.5-149.9-122.4 125.9 2.2 -34.2 1.5 58 114 A H E -ad 6 82A 43 -53,-2.7 -51,-3.0 -2,-0.5 25,-0.2 -0.826 29.7-132.8 -84.4 113.2 1.3 -35.6 -1.9 59 115 A T - 0 0 1 23,-2.6 3,-0.1 -2,-0.7 6,-0.0 -0.353 5.2-128.7 -71.3 157.1 3.1 -38.9 -2.0 60 116 A D S S- 0 0 38 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.642 81.4 -1.7 -85.8 -15.0 5.2 -39.7 -5.2 61 117 A N S > S- 0 0 62 -53,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.964 76.9 -95.5-163.9 174.0 3.7 -43.3 -5.8 62 118 A G H > S+ 0 0 46 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.771 115.1 61.4 -73.8 -26.1 1.2 -45.8 -4.3 63 119 A S H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 110.1 41.0 -70.4 -44.5 3.9 -47.8 -2.4 64 120 A N H 4 S+ 0 0 6 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 114.7 53.5 -68.6 -30.5 4.8 -44.7 -0.2 65 121 A F H < S+ 0 0 69 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.8 37.1 -65.5 -44.1 1.1 -43.9 0.0 66 122 A T H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.823 89.0 114.2 -71.8 -38.2 0.3 -47.4 1.3 67 123 A S X - 0 0 22 -4,-2.3 4,-2.5 -5,-0.2 5,-0.1 -0.080 56.8-153.0 -47.7 124.2 3.5 -47.8 3.5 68 124 A T H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.859 95.5 55.7 -74.3 -26.1 2.5 -48.0 7.2 69 125 A T H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 107.9 48.1 -67.4 -39.3 5.9 -46.5 8.2 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.926 112.6 49.3 -64.3 -43.6 5.3 -43.5 6.0 71 127 A K H X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.895 108.5 53.4 -61.7 -36.7 1.8 -43.2 7.5 72 128 A A H X S+ 0 0 17 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.909 110.0 47.5 -63.8 -40.0 3.4 -43.5 11.1 73 129 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 6,-0.2 0.915 111.3 50.1 -67.9 -39.1 5.8 -40.6 10.3 74 130 A C H <>S+ 0 0 3 -4,-2.4 5,-3.1 2,-0.2 4,-0.4 0.923 112.6 47.6 -65.7 -39.6 3.0 -38.4 8.8 75 131 A W H ><5S+ 0 0 188 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.959 113.1 49.5 -60.4 -50.2 0.9 -39.2 12.0 76 132 A W H 3<5S+ 0 0 39 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.929 116.9 39.0 -57.1 -47.5 4.0 -38.3 14.2 77 133 A A T 3<5S- 0 0 7 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.329 113.4-112.2 -88.8 4.5 4.7 -35.0 12.5 78 134 A G T < 5 + 0 0 59 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.871 64.2 151.0 71.9 30.8 1.1 -33.9 12.0 79 135 A I < - 0 0 12 -5,-3.1 2,-0.6 -6,-0.2 -1,-0.2 -0.869 46.2-134.2-100.0 136.6 1.1 -34.3 8.2 80 136 A K E -d 56 0A 127 -25,-2.8 -23,-2.4 -2,-0.5 2,-0.5 -0.761 25.1-146.0 -82.8 118.9 -2.0 -35.1 6.2 81 137 A Q E +d 57 0A 32 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.743 25.4 172.6 -92.1 127.1 -0.8 -37.8 3.7 82 138 A E E -d 58 0A 47 -25,-2.9 -23,-2.6 -2,-0.5 -26,-0.0 -0.848 33.5 -99.6-126.4 167.9 -2.5 -37.6 0.4 83 139 A D - 0 0 48 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.196 24.7-132.0 -74.6 179.2 -2.1 -39.4 -3.0 84 140 A G + 0 0 31 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 -0.016 45.4 153.1-126.6 25.7 -0.3 -37.6 -5.9 85 141 A I - 0 0 92 1,-0.1 2,-2.2 2,-0.0 3,-0.3 -0.385 48.6-130.1 -55.4 124.4 -2.8 -38.2 -8.7 86 142 A P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.496 41.0 163.5 -84.8 77.8 -2.3 -35.3 -11.2 87 143 A Y S S+ 0 0 181 -2,-2.2 3,-0.1 1,-0.2 -2,-0.0 0.821 79.1 57.9 -59.2 -28.0 -6.0 -34.3 -11.4 88 144 A N S > S- 0 0 93 -3,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.925 85.5-156.1 -98.4 109.8 -4.4 -31.3 -12.8 89 145 A P T 3> S+ 0 0 88 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.781 89.8 71.4 -63.2 -23.7 -2.4 -32.8 -15.8 90 146 A Q H 3> S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.818 85.7 68.2 -56.7 -29.7 -0.1 -29.7 -15.6 91 147 A S H <> S+ 0 0 47 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.945 96.3 52.7 -53.8 -56.1 1.3 -31.3 -12.3 92 148 A Q H > S+ 0 0 100 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.907 112.0 45.1 -38.6 -56.8 2.9 -34.2 -14.3 93 149 A G H X S+ 0 0 31 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.833 109.0 54.9 -66.3 -37.6 4.7 -31.7 -16.6 94 150 A V H X S+ 0 0 101 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.951 111.1 45.4 -63.4 -46.2 5.9 -29.4 -13.8 95 151 A I H X S+ 0 0 38 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 112.3 50.1 -65.6 -41.0 7.6 -32.4 -12.0 96 152 A E H X S+ 0 0 120 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.934 111.9 48.5 -64.5 -42.2 9.2 -33.8 -15.2 97 153 A S H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.903 110.3 51.9 -67.9 -39.4 10.6 -30.4 -16.0 98 154 A M H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.918 109.7 48.7 -59.6 -42.7 11.9 -30.1 -12.5 99 155 A N H X S+ 0 0 22 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 111.8 48.6 -66.3 -41.7 13.7 -33.4 -12.7 100 156 A K H X S+ 0 0 166 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.9 48.4 -63.8 -41.3 15.3 -32.6 -16.0 101 157 A E H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.940 112.2 49.2 -61.2 -46.1 16.4 -29.1 -14.7 102 158 A L H X S+ 0 0 8 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.942 111.1 49.5 -59.8 -45.0 17.9 -30.8 -11.5 103 159 A K H X S+ 0 0 76 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.892 108.7 52.8 -61.8 -34.8 19.7 -33.3 -13.6 104 160 A K H X S+ 0 0 143 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.944 111.7 45.9 -62.8 -45.4 21.1 -30.6 -15.8 105 161 A I H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 5,-0.3 0.941 109.3 54.3 -64.4 -43.6 22.5 -28.7 -12.8 106 162 A I H X S+ 0 0 6 -4,-3.0 4,-1.2 1,-0.2 3,-0.3 0.903 108.1 50.0 -58.6 -39.4 23.9 -31.8 -11.3 107 163 A G H < S+ 0 0 54 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.891 107.4 55.4 -66.3 -33.7 25.8 -32.4 -14.6 108 164 A Q H < S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.750 121.7 27.7 -68.6 -23.8 27.1 -28.8 -14.4 109 165 A V H >< S+ 0 0 4 -4,-1.7 3,-2.8 -3,-0.3 4,-0.4 0.500 91.5 105.5-107.8 -5.0 28.6 -29.4 -10.9 110 166 A R G >< S+ 0 0 55 -4,-1.2 3,-1.3 1,-0.3 -2,-0.1 0.814 77.5 50.1 -60.9 -33.1 29.2 -33.1 -11.1 111 167 A D G 3 S+ 0 0 116 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.550 99.6 66.0 -83.6 0.5 33.0 -32.9 -11.5 112 168 A Q G < S+ 0 0 66 -3,-2.8 203,-2.8 202,-0.1 204,-0.4 0.551 101.1 59.8 -85.7 -10.5 33.4 -30.5 -8.4 113 169 A A < - 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0 0 23 -4,-2.2 4,-2.4 1,-0.1 5,-0.1 -0.048 56.9-152.7 -46.7 126.1 39.6 -26.9 8.2 219 124 B T H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.857 95.8 57.8 -74.5 -26.5 40.2 -26.2 4.6 220 125 B T H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 107.7 46.5 -62.6 -47.8 37.3 -28.5 3.6 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 112.8 49.7 -59.7 -43.3 35.0 -26.3 5.8 222 127 B K H X S+ 0 0 85 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 108.8 53.1 -64.2 -35.7 36.5 -23.2 4.2 223 128 B A H X S+ 0 0 17 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.910 110.4 47.2 -65.1 -39.4 36.0 -24.6 0.7 224 129 B A H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.922 111.7 50.3 -67.8 -37.1 32.2 -25.3 1.5 225 130 B C H <>S+ 0 0 3 -4,-2.4 5,-3.0 1,-0.2 4,-0.5 0.927 112.7 47.4 -69.1 -39.1 31.8 -21.8 2.9 226 131 B W H ><5S+ 0 0 185 -4,-2.7 3,-1.5 3,-0.2 -2,-0.2 0.970 113.3 48.3 -59.4 -50.5 33.4 -20.4 -0.3 227 132 B W H 3<5S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.924 117.1 40.9 -59.4 -44.8 31.2 -22.6 -2.5 228 133 B A T 3<5S- 0 0 6 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.364 113.1-112.9 -88.5 2.4 28.0 -21.6 -0.7 229 134 B G T < 5 + 0 0 60 -3,-1.5 2,-0.5 -4,-0.5 -3,-0.2 0.863 64.2 150.2 74.7 32.3 28.8 -17.9 -0.3 230 135 B I < - 0 0 12 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.880 47.5-134.1-106.8 134.3 29.1 -18.1 3.5 231 136 B K E -h 207 0B 125 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.5 -0.759 25.4-147.3 -79.3 111.7 31.4 -15.8 5.6 232 137 B Q E +h 208 0B 34 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.714 25.0 173.6 -84.7 128.2 33.1 -18.2 8.0 233 138 B E E -h 209 0B 75 -25,-2.8 -23,-2.4 -2,-0.5 -26,-0.0 -0.828 33.7 -98.8-126.2 170.8 33.8 -16.6 11.4 234 139 B D - 0 0 47 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.147 25.4-132.4 -75.8-179.2 35.2 -17.8 14.8 235 140 B G + 0 0 31 -26,-0.2 -1,-0.1 -78,-0.1 -26,-0.1 0.011 46.4 152.5-128.0 22.9 32.7 -18.6 17.7 236 141 B I - 0 0 91 1,-0.1 2,-2.1 2,-0.0 3,-0.3 -0.378 48.7-130.7 -52.8 123.5 34.5 -16.7 20.4 237 142 B P + 0 0 50 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.489 40.0 164.1 -85.0 71.5 31.7 -15.7 22.9 238 143 B Y S S+ 0 0 179 -2,-2.1 3,-0.1 1,-0.2 -2,-0.0 0.791 79.0 57.8 -53.8 -30.1 32.7 -11.9 23.1 239 144 B N S > S- 0 0 90 -3,-0.3 3,-2.6 1,-0.1 4,-0.4 -0.933 84.7-155.4 -97.7 108.3 29.3 -11.8 24.6 240 145 B P T >> S+ 0 0 87 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.789 89.6 75.8 -59.0 -24.2 29.5 -14.3 27.6 241 146 B Q H 3> S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.819 84.7 67.6 -51.1 -33.3 25.7 -14.7 27.2 242 147 B S H <> S+ 0 0 45 -3,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.877 95.7 49.9 -56.4 -49.5 26.5 -16.9 24.1 243 148 B Q H <> S+ 0 0 99 -3,-0.8 4,-2.4 -4,-0.4 5,-0.2 0.956 112.6 49.8 -56.0 -47.8 28.1 -19.8 26.1 244 149 B G H X S+ 0 0 31 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.852 109.1 49.8 -57.4 -42.6 25.1 -19.9 28.4 245 150 B V H X S+ 0 0 102 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.920 112.9 46.5 -70.1 -43.4 22.5 -19.9 25.6 246 151 B I H X S+ 0 0 43 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.918 111.8 50.4 -62.9 -44.4 24.2 -22.8 23.7 247 152 B E H X S+ 0 0 139 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.929 112.4 48.0 -62.5 -42.3 24.7 -24.9 26.9 248 153 B S H X S+ 0 0 70 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.901 110.0 52.0 -68.2 -41.6 21.0 -24.4 27.8 249 154 B M H X S+ 0 0 19 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.932 109.6 49.6 -61.3 -40.0 20.0 -25.4 24.2 250 155 B N H X S+ 0 0 23 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.933 112.0 47.5 -65.2 -41.9 22.1 -28.6 24.5 251 156 B K H X S+ 0 0 162 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.933 112.9 49.4 -63.5 -44.8 20.5 -29.5 27.8 252 157 B E H X S+ 0 0 41 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.954 112.8 47.5 -55.8 -49.2 17.0 -28.7 26.4 253 158 B L H X S+ 0 0 7 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.935 111.5 49.4 -61.4 -43.5 17.6 -30.9 23.3 254 159 B K H X S+ 0 0 76 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.907 109.0 53.5 -63.0 -38.0 19.0 -33.8 25.3 255 160 B K H X S+ 0 0 142 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.946 111.9 44.6 -55.1 -49.7 15.9 -33.6 27.5 256 161 B I H X S+ 0 0 10 -4,-2.5 4,-1.4 1,-0.2 5,-0.2 0.919 109.7 55.4 -64.7 -45.0 13.6 -33.8 24.5 257 162 B I H >X S+ 0 0 5 -4,-3.2 4,-1.3 -5,-0.2 3,-0.5 0.913 108.7 47.6 -56.7 -43.3 15.7 -36.6 23.0 258 163 B G H 3< S+ 0 0 52 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.916 107.7 57.1 -66.3 -32.3 15.2 -38.6 26.3 259 164 B Q H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.760 121.7 26.4 -65.3 -24.6 11.4 -37.9 26.2 260 165 B V H X< S+ 0 0 4 -4,-1.4 3,-2.7 -3,-0.5 4,-0.4 0.489 91.2 104.6-110.6 -6.9 11.2 -39.5 22.7 261 166 B R G >< S+ 0 0 58 -4,-1.3 3,-1.3 1,-0.3 -2,-0.1 0.814 77.7 52.8 -57.8 -33.5 14.1 -41.8 22.8 262 167 B D G 3 S+ 0 0 106 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.601 99.7 63.2 -77.9 -9.1 11.9 -45.0 23.3 263 168 B Q G < S+ 0 0 63 -3,-2.7 43,-2.7 42,-0.1 44,-0.4 0.569 101.8 59.9 -86.5 -8.1 9.7 -44.2 20.2 264 169 B A < - 0 0 2 -3,-1.3 -1,-0.1 -4,-0.4 3,-0.0 -0.974 60.3-159.3-123.2 137.8 12.8 -44.5 17.9 265 170 B E S S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.949 85.6 50.1 -73.5 -48.2 15.2 -47.5 17.3 266 171 B H S >> S- 0 0 92 1,-0.1 4,-1.3 4,-0.0 3,-0.8 -0.707 79.3-132.5 -97.1 142.0 18.0 -45.2 15.9 267 172 B L H 3> S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 104.0 66.9 -51.9 -38.5 19.3 -42.0 17.5 268 173 B K H 3> S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 101.5 48.6 -57.8 -34.9 19.0 -40.1 14.2 269 174 B T H <> S+ 0 0 6 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.920 109.9 49.5 -64.3 -48.8 15.2 -40.4 14.4 270 175 B A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.873 109.9 52.8 -60.0 -39.1 15.0 -39.2 18.0 271 176 B V H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.932 110.1 47.0 -64.1 -40.4 17.2 -36.2 17.1 272 177 B Q H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.845 110.4 53.3 -69.5 -35.3 14.9 -35.2 14.2 273 178 B M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.885 110.3 48.3 -62.8 -40.2 11.9 -35.6 16.5 274 179 B A H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.913 109.2 51.8 -68.5 -35.3 13.7 -33.2 18.9 275 180 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.931 111.3 48.9 -57.1 -49.5 14.4 -30.7 16.1 276 181 B F H X S+ 0 0 29 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.953 114.2 43.9 -60.7 -51.4 10.7 -30.9 15.2 277 182 B I H X S+ 0 0 50 -4,-2.5 4,-1.4 1,-0.2 3,-0.2 0.951 115.1 49.6 -58.3 -47.2 9.6 -30.3 18.9 278 183 B H H < S+ 0 0 13 -4,-3.1 10,-0.5 1,-0.2 3,-0.4 0.926 113.2 45.4 -55.8 -49.6 12.2 -27.6 19.5 279 184 B N H < S+ 0 0 3 -4,-2.8 10,-2.3 1,-0.2 11,-0.4 0.753 117.1 43.7 -71.3 -26.1 11.3 -25.6 16.3 280 185 B H H < S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.2 0.598 84.3 116.0 -95.0 -13.4 7.5 -25.9 16.8 281 186 B K < - 0 0 110 -4,-1.4 7,-0.5 -3,-0.4 2,-0.4 -0.371 60.0-140.3 -59.9 122.7 7.5 -25.0 20.7 282 187 B R B I 287 0C 151 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.733 360.0 360.0 -87.5 132.0 5.6 -21.8 21.4 283 188 B K 0 0 144 3,-1.8 3,-0.4 -2,-0.4 -2,-0.0 -0.971 360.0 360.0-119.0 360.0 7.4 -19.8 24.1 284 ! 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 88 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 146.7 3.9 -16.0 21.6 286 194 B Y - 0 0 127 -3,-0.4 -3,-1.8 -4,-0.1 2,-0.2 -0.548 360.0-119.5-111.2 162.1 5.6 -17.5 18.6 287 195 B S B > -I 282 0C 9 -5,-0.2 4,-2.6 -2,-0.2 -5,-0.2 -0.554 32.8-109.1 -88.1 165.3 7.7 -20.6 17.8 288 196 B A H > S+ 0 0 2 -7,-0.5 4,-2.9 -10,-0.5 -110,-0.3 0.897 121.8 54.1 -56.9 -42.9 11.3 -20.6 16.5 289 197 B G H > S+ 0 0 20 -10,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.878 110.1 47.1 -63.3 -35.1 10.1 -21.7 13.1 290 198 B E H > S+ 0 0 33 -11,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.927 112.3 50.3 -69.9 -39.3 7.6 -18.8 13.1 291 199 B R H X S+ 0 0 72 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.912 108.2 50.5 -66.9 -43.0 10.3 -16.3 14.2 292 200 B I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.948 112.0 47.2 -65.8 -39.6 12.9 -17.3 11.6 293 201 B V H X S+ 0 0 3 -4,-1.5 4,-3.0 -5,-0.2 5,-0.2 0.944 114.3 47.6 -64.2 -43.5 10.4 -17.0 8.6 294 202 B D H X S+ 0 0 70 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.905 112.4 50.1 -61.3 -45.1 9.2 -13.6 9.9 295 203 B I H X S+ 0 0 44 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.945 115.8 40.4 -60.7 -49.6 12.8 -12.3 10.4 296 204 B I H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.911 114.4 52.1 -72.2 -36.8 13.9 -13.4 6.9 297 205 B A H X S+ 0 0 6 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.939 108.8 52.0 -64.0 -40.5 10.6 -12.2 5.2 298 206 B T H < S+ 0 0 91 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.939 110.7 48.9 -57.4 -47.4 11.1 -8.8 6.9 299 207 B D H < S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.3 52.1 -58.3 -43.4 14.6 -8.8 5.5 300 208 B I H < 0 0 43 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.868 360.0 360.0 -65.1 -34.0 13.5 -9.7 1.9 301 209 B Q < 0 0 133 -4,-1.8 -4,-0.0 -3,-0.3 0, 0.0 -0.491 360.0 360.0 -72.1 360.0 10.9 -6.8 1.8 302 !* 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 67 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 6.7 10.3 -53.4 16.6 304 2 D R + 0 0 191 5,-1.6 2,-0.3 1,-0.3 5,-0.2 0.795 360.0 122.4 69.6 30.4 7.4 -51.3 17.9 305 3 D K B > S-J 308 0D 58 3,-2.6 3,-1.2 1,-0.1 -1,-0.3 -0.894 74.9-119.6-119.9 151.4 9.3 -48.1 16.9 306 4 D I T 3 S+ 0 0 20 -43,-2.7 3,-0.3 -2,-0.3 -233,-0.2 0.865 120.3 40.0 -51.5 -38.6 8.3 -45.2 14.5 307 5 D D T 3 S+ 0 0 17 -44,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.406 128.7 30.9 -97.6 -2.1 11.4 -46.0 12.5 308 6 D N B < -J 305 0D 35 -3,-1.2 -3,-2.6 1,-0.1 -1,-0.3 -0.629 64.0-179.2-152.8 84.9 11.0 -49.8 12.8 309 7 D L 0 0 66 -3,-0.3 -5,-1.6 1,-0.3 -3,-0.1 0.865 360.0 360.0 -61.0 -33.6 7.3 -50.7 13.1 310 8 D D 0 0 164 -7,-0.3 -1,-0.3 -6,-0.1 -2,-0.0 0.867 360.0 360.0 -50.3 360.0 8.4 -54.4 13.4 311 !* 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 59 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 10.0 41.2 -35.8 -4.8 313 2 F R + 0 0 222 5,-1.9 2,-0.3 1,-0.3 5,-0.2 0.807 360.0 119.8 66.0 34.2 40.7 -32.2 -6.1 314 3 F K B > S-K 317 0E 57 3,-2.9 3,-1.4 1,-0.1 -1,-0.3 -0.911 75.9-118.3-124.9 152.6 37.0 -32.1 -5.2 315 4 F I T 3 S+ 0 0 23 -203,-2.8 3,-0.3 -2,-0.3 -202,-0.2 0.791 121.3 41.1 -56.5 -32.0 35.0 -29.8 -2.8 316 5 F D T 3 S+ 0 0 20 -204,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.368 128.4 30.8-101.3 -0.5 34.2 -32.9 -0.8 317 6 F N B < -K 314 0E 34 -3,-1.4 -3,-2.9 1,-0.1 -1,-0.3 -0.628 64.1-179.2-152.7 86.8 37.6 -34.4 -1.1 318 7 F L 0 0 69 -3,-0.3 -5,-1.9 1,-0.3 -3,-0.1 0.901 360.0 360.0 -62.3 -34.9 40.2 -31.7 -1.3 319 8 F D 0 0 167 -7,-0.3 -1,-0.3 -6,-0.1 -2,-0.0 0.861 360.0 360.0 -50.8 360.0 42.9 -34.5 -1.7