==== 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 3AVN . 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) . 14878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 73.9 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 . 42 13.4 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 . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 41.1 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 1 1 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 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 84 0, 0.0 3,-0.9 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -35.6 1.5 23.8 0.2 2 58 A P T 3 + 0 0 31 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.852 360.0 47.7 -62.3 -24.5 -1.4 22.4 2.3 3 59 A G T 3 S+ 0 0 8 51,-0.1 53,-2.3 19,-0.0 52,-2.1 0.345 88.2 108.9 -96.4 7.8 -1.5 25.9 3.9 4 60 A I E < +a 56 0A 43 -3,-0.9 19,-1.5 51,-0.2 20,-0.4 -0.736 38.1 172.3-100.5 126.6 -1.3 28.2 0.8 5 61 A W E -aB 57 22A 1 51,-2.3 53,-2.7 -2,-0.5 2,-0.4 -0.878 19.3-148.2-127.9 155.4 -4.3 30.2 -0.5 6 62 A Q E -aB 58 21A 28 15,-2.7 15,-3.2 -2,-0.3 2,-0.2 -0.987 13.6-140.6-124.7 128.2 -4.7 32.9 -3.2 7 63 A L E - B 0 20A 2 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.588 21.6-176.2 -86.6 153.2 -7.2 35.8 -3.0 8 64 A D E - B 0 19A 10 11,-2.3 11,-3.2 -2,-0.2 2,-0.4 -0.986 11.3-160.1-152.5 136.7 -9.0 36.8 -6.1 9 65 A C E + B 0 18A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 16.0 168.3-125.6 128.8 -11.5 39.6 -6.8 10 66 A T E - B 0 17A 13 7,-2.4 7,-2.9 -2,-0.4 2,-0.3 -0.878 23.0-129.5-135.2 165.9 -14.0 39.6 -9.7 11 67 A H E + B 0 16A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.910 26.1 161.7-123.8 147.9 -17.0 41.9 -10.5 12 68 A L E > - B 0 15A 45 3,-2.3 3,-2.3 -2,-0.3 -2,-0.0 -0.940 66.9 -0.5-160.5 142.1 -20.6 41.2 -11.5 13 69 A E T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.817 128.2 -55.5 49.0 38.4 -23.9 43.2 -11.5 14 70 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.614 120.0 95.8 74.2 11.1 -22.0 46.3 -10.1 15 71 A K E < S-B 12 0A 89 -3,-2.3 -3,-2.3 20,-0.0 2,-0.4 -0.805 71.2-111.0-128.8 178.4 -20.7 44.4 -7.1 16 72 A V E -BC 11 33A 7 17,-2.0 17,-2.4 -2,-0.3 2,-0.6 -0.861 14.0-158.4-116.9 137.0 -17.6 42.6 -6.0 17 73 A I E -BC 10 32A 2 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.5 -0.964 12.1-158.2-114.6 116.3 -17.1 38.9 -5.4 18 74 A L E -BC 9 31A 0 13,-2.5 13,-2.3 -2,-0.6 2,-0.3 -0.884 14.5-173.5 -98.2 129.9 -14.1 38.1 -3.2 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.3 -2,-0.5 2,-0.5 -0.937 17.9-158.2-126.2 137.3 -12.7 34.6 -3.6 20 76 A A E -BC 7 29A 1 9,-2.7 9,-1.7 -2,-0.3 2,-0.5 -0.992 15.0-159.9-111.9 127.0 -10.1 32.6 -1.7 21 77 A V E -BC 6 28A 14 -15,-3.2 -15,-2.7 -2,-0.5 2,-0.9 -0.888 16.5-140.6-105.6 125.9 -8.6 29.7 -3.7 22 78 A H E >>> -BC 5 27A 0 5,-2.5 4,-2.5 -2,-0.5 3,-1.1 -0.797 25.3-149.2 -77.4 109.0 -6.8 26.8 -1.9 23 79 A V T 345S+ 0 0 83 -19,-1.5 -1,-0.2 -2,-0.9 -18,-0.1 0.848 85.2 48.7 -57.5 -47.0 -4.0 26.5 -4.5 24 80 A A T 345S+ 0 0 46 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.753 124.8 27.1 -74.7 -18.5 -3.2 22.8 -4.3 25 81 A S T <45S- 0 0 4 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.656 92.4-125.9-113.1 -19.2 -6.8 21.6 -4.5 26 82 A G T <5 + 0 0 24 -4,-2.5 -3,-0.1 1,-0.3 111,-0.1 0.501 59.3 147.3 79.9 2.7 -8.8 24.3 -6.4 27 83 A Y E < -C 22 0A 2 -5,-0.6 -5,-2.5 110,-0.3 2,-0.3 -0.461 28.9-161.8 -70.8 147.3 -11.3 24.5 -3.5 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.885 26.3-166.6-132.6 157.6 -12.8 27.9 -2.9 29 85 A E E +C 20 0A 9 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.3 -0.945 25.8 174.2-123.3 153.9 -14.7 30.2 -0.4 30 86 A A E -C 19 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 15.9-169.4-156.2 159.1 -16.3 33.4 -1.6 31 87 A E E -C 18 0A 21 -13,-2.3 -13,-2.5 -2,-0.3 2,-0.4 -0.977 24.2-122.8-143.8 159.1 -18.5 36.4 -0.5 32 88 A V E +C 17 0A 34 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.899 34.3 172.6-101.2 130.9 -20.3 39.3 -2.1 33 89 A I E -C 16 0A 8 -17,-2.4 -17,-2.0 -2,-0.4 3,-0.1 -0.885 41.0-121.5-132.7 157.0 -19.3 42.8 -0.8 34 90 A P S S- 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.914 94.6 -6.8 -72.8 -30.5 -20.3 46.3 -2.2 35 91 A A S S- 0 0 53 -20,-0.1 2,-0.7 -19,-0.1 5,-0.1 -0.987 78.7-101.1-155.0 156.3 -16.7 47.3 -2.8 36 92 A E + 0 0 48 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.692 52.4 163.0 -84.2 115.3 -13.3 45.8 -2.0 37 93 A T > - 0 0 63 -2,-0.7 4,-3.0 1,-0.1 5,-0.2 -0.896 51.8-111.8-123.9 163.4 -11.9 47.5 1.0 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.903 119.0 51.5 -56.7 -45.4 -9.1 46.7 3.4 39 95 A Q H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 111.5 45.1 -60.4 -43.1 -11.6 46.2 6.2 40 96 A E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.944 115.4 48.6 -68.7 -42.6 -13.8 43.8 4.1 41 97 A T H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.917 111.2 49.3 -58.5 -44.8 -10.7 41.9 3.0 42 98 A A H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.910 111.7 48.6 -64.6 -43.5 -9.3 41.6 6.6 43 99 A Y H X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 109.5 52.4 -63.9 -45.3 -12.7 40.3 7.9 44 100 A F H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.907 110.9 48.1 -55.3 -43.8 -12.9 37.7 5.1 45 101 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.898 108.4 53.3 -67.8 -36.0 -9.4 36.4 5.9 46 102 A L H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.946 111.7 46.5 -62.9 -45.1 -10.2 36.2 9.7 47 103 A K H X S+ 0 0 42 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.961 113.6 48.6 -58.0 -52.6 -13.3 34.0 8.8 48 104 A L H >X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 3,-1.0 0.916 110.9 49.2 -54.0 -52.9 -11.2 31.8 6.4 49 105 A A H 3< S+ 0 0 2 -4,-3.0 5,-0.2 1,-0.2 -1,-0.2 0.776 105.6 56.5 -64.2 -26.6 -8.4 31.2 8.9 50 106 A G H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.695 115.3 41.2 -69.0 -19.7 -10.8 30.2 11.7 51 107 A R H << S+ 0 0 19 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.778 123.6 21.5-102.6 -29.8 -12.1 27.5 9.3 52 108 A W S < S- 0 0 4 -4,-2.1 2,-1.6 -49,-0.0 -1,-0.2 -0.937 89.7 -97.7-133.6 159.3 -9.0 26.0 7.6 53 109 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.559 46.3-171.0 -82.9 89.9 -5.4 26.1 8.6 54 110 A V + 0 0 12 -2,-1.6 -50,-0.2 -5,-0.2 3,-0.1 -0.668 18.3 165.4 -86.4 114.3 -4.2 29.1 6.5 55 111 A K + 0 0 136 -52,-2.1 25,-2.9 -2,-0.6 2,-0.3 0.838 67.5 15.5 -93.8 -41.5 -0.4 29.4 6.6 56 112 A T E -ad 4 80A 6 -53,-2.3 -51,-2.3 23,-0.2 2,-0.4 -0.983 58.4-164.1-137.5 140.3 0.1 31.8 3.7 57 113 A V E -ad 5 81A 1 23,-2.2 25,-3.3 -2,-0.3 2,-0.7 -0.992 10.9-152.3-126.2 123.0 -2.1 34.2 1.6 58 114 A H E -ad 6 82A 45 -53,-2.7 -51,-2.9 -2,-0.4 25,-0.2 -0.854 29.5-131.7 -86.8 115.3 -1.1 35.6 -1.7 59 115 A T - 0 0 2 23,-2.6 3,-0.1 -2,-0.7 6,-0.0 -0.267 5.9-127.9 -69.2 158.5 -3.1 38.9 -1.8 60 116 A D S S+ 0 0 38 1,-0.1 2,-0.3 -54,-0.1 -51,-0.1 0.706 82.5 0.8 -82.9 -19.6 -5.0 39.7 -5.0 61 117 A N S > S- 0 0 61 -53,-0.1 4,-1.4 24,-0.0 5,-0.1 -0.927 77.4 -97.1-158.4 176.1 -3.6 43.2 -5.6 62 118 A G H > S+ 0 0 48 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.717 115.3 62.1 -78.0 -25.0 -1.1 45.8 -4.1 63 119 A S H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 109.0 41.1 -65.2 -47.8 -3.8 47.8 -2.2 64 120 A N H 4 S+ 0 0 6 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.4 52.7 -67.6 -30.8 -4.7 44.6 -0.0 65 121 A F H < S+ 0 0 70 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.0 39.5 -64.0 -42.4 -1.0 43.8 0.2 66 122 A T H < S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.831 88.2 112.3 -73.2 -40.5 -0.3 47.4 1.4 67 123 A S X - 0 0 23 -4,-2.3 4,-2.4 1,-0.1 5,-0.1 -0.115 57.3-151.5 -49.4 121.8 -3.5 47.8 3.7 68 124 A T H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.878 97.6 56.5 -67.3 -32.5 -2.5 48.0 7.4 69 125 A T H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 107.0 47.4 -59.9 -46.3 -6.0 46.5 8.2 70 126 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.919 112.3 50.4 -61.6 -45.3 -5.3 43.5 6.1 71 127 A K H X S+ 0 0 85 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 107.9 53.9 -60.2 -36.6 -1.8 43.1 7.7 72 128 A A H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.895 109.2 47.7 -65.3 -39.7 -3.4 43.4 11.2 73 129 A A H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.872 111.4 49.9 -68.4 -35.1 -5.8 40.5 10.5 74 130 A C H <>S+ 0 0 3 -4,-2.0 5,-3.3 2,-0.2 4,-0.4 0.895 112.7 48.6 -70.4 -36.8 -3.0 38.4 9.1 75 131 A W H ><5S+ 0 0 186 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.961 113.0 46.9 -64.2 -50.9 -1.0 39.2 12.3 76 132 A W H 3<5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.920 117.5 42.2 -57.9 -47.8 -4.0 38.3 14.5 77 133 A A T 3<5S- 0 0 5 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.379 112.6-112.7 -84.6 5.1 -4.8 35.0 12.6 78 134 A G T < 5 + 0 0 60 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.844 64.3 151.2 69.7 29.9 -1.1 33.8 12.2 79 135 A I < - 0 0 11 -5,-3.3 2,-0.7 -6,-0.2 -1,-0.2 -0.843 46.5-135.2-102.5 129.8 -1.1 34.3 8.4 80 136 A K E -d 56 0A 136 -25,-2.9 -23,-2.2 -2,-0.5 2,-0.5 -0.704 26.0-143.4 -74.1 115.6 2.0 35.1 6.5 81 137 A Q E +d 57 0A 33 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.731 26.4 175.6 -86.0 125.1 0.9 37.8 4.1 82 138 A E E -d 58 0A 54 -25,-3.3 -23,-2.6 -2,-0.5 2,-0.0 -0.804 30.6-105.1-123.2 164.2 2.5 37.6 0.5 83 139 A D - 0 0 52 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.0 -0.158 25.5-129.0 -75.0-179.5 2.3 39.4 -2.8 84 140 A G + 0 0 31 -26,-0.2 -26,-0.1 -78,-0.0 -1,-0.1 0.040 46.3 151.8-125.6 23.7 0.5 37.7 -5.8 85 141 A I - 0 0 98 1,-0.1 2,-1.9 2,-0.0 3,-0.3 -0.374 46.7-132.2 -61.8 128.4 3.1 38.1 -8.5 86 142 A P + 0 0 51 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.462 39.4 162.5 -85.1 74.6 2.7 35.2 -11.0 87 143 A Y S S+ 0 0 184 -2,-1.9 3,-0.1 1,-0.2 -2,-0.0 0.794 79.6 56.3 -54.9 -27.9 6.4 34.2 -11.2 88 144 A N S > S- 0 0 83 -3,-0.3 3,-2.5 1,-0.1 4,-0.5 -0.937 85.0-154.8-101.3 106.8 4.7 31.1 -12.7 89 145 A P T 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.735 87.5 76.6 -60.3 -20.0 2.6 32.5 -15.6 90 146 A Q H 3> S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.776 84.7 66.2 -57.2 -23.8 0.3 29.4 -15.2 91 147 A S H <> S+ 0 0 49 -3,-2.5 4,-2.3 2,-0.2 5,-0.2 0.937 97.7 50.3 -63.4 -52.3 -1.2 31.2 -12.1 92 148 A Q H > S+ 0 0 97 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.946 113.7 45.5 -46.8 -55.9 -2.7 34.1 -14.1 93 149 A G H X S+ 0 0 31 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.863 110.8 51.9 -63.5 -39.8 -4.4 31.7 -16.6 94 150 A V H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.952 113.5 45.4 -62.4 -46.9 -5.8 29.3 -13.8 95 151 A I H X S+ 0 0 38 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.959 112.2 49.2 -59.8 -51.5 -7.4 32.3 -12.0 96 152 A E H X S+ 0 0 125 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.931 114.1 48.3 -55.3 -43.5 -8.8 33.9 -15.2 97 153 A S H X S+ 0 0 79 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 110.1 51.3 -66.7 -40.5 -10.3 30.4 -16.1 98 154 A M H X S+ 0 0 14 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.917 108.2 51.2 -63.8 -41.3 -11.7 30.0 -12.7 99 155 A N H X S+ 0 0 24 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.917 111.2 48.1 -58.7 -43.0 -13.4 33.4 -12.8 100 156 A K H X S+ 0 0 168 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.899 112.2 50.0 -65.1 -41.8 -15.1 32.6 -16.2 101 157 A E H X S+ 0 0 52 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.954 111.4 48.6 -61.0 -46.1 -16.2 29.2 -14.8 102 158 A L H X S+ 0 0 9 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.925 112.6 47.9 -60.7 -46.1 -17.7 30.9 -11.6 103 159 A K H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.871 109.5 52.6 -63.2 -36.4 -19.6 33.4 -13.7 104 160 A K H X S+ 0 0 145 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.969 112.4 45.1 -61.3 -49.5 -20.8 30.7 -16.0 105 161 A I H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 5,-0.3 0.944 110.7 54.6 -60.6 -42.6 -22.2 28.8 -13.0 106 162 A I H X S+ 0 0 6 -4,-3.2 4,-1.4 1,-0.2 3,-0.4 0.907 108.4 48.9 -59.6 -41.3 -23.7 32.0 -11.5 107 163 A G H < S+ 0 0 52 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.866 107.5 54.5 -67.8 -35.2 -25.6 32.6 -14.7 108 164 A Q H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 121.3 30.6 -66.1 -23.4 -26.9 29.0 -14.8 109 165 A V H >< S+ 0 0 5 -4,-1.5 3,-2.4 -3,-0.4 4,-0.4 0.523 91.0 103.9-105.8 -10.4 -28.3 29.5 -11.2 110 166 A R G >< S+ 0 0 59 -4,-1.4 3,-1.2 1,-0.3 -2,-0.1 0.796 77.8 50.1 -51.2 -36.8 -29.1 33.2 -11.4 111 167 A D G 3 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.554 99.1 66.1 -85.2 -5.4 -32.8 33.0 -11.8 112 168 A Q G < S+ 0 0 66 -3,-2.4 203,-2.3 202,-0.1 204,-0.4 0.507 101.8 60.2 -80.8 -6.7 -33.3 30.6 -8.8 113 169 A A < - 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0 0 23 -4,-2.4 4,-2.4 1,-0.1 5,-0.1 -0.126 56.9-152.0 -48.5 121.0 -39.6 26.9 8.1 219 124 B T H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.856 97.2 55.9 -65.5 -31.8 -40.3 26.2 4.3 220 125 B T H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 107.8 47.6 -63.4 -45.2 -37.3 28.4 3.4 221 126 B V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.4 49.0 -61.5 -46.6 -35.0 26.3 5.6 222 127 B K H X S+ 0 0 86 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 108.7 54.0 -60.4 -36.4 -36.4 23.1 4.0 223 128 B A H X S+ 0 0 16 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.906 109.4 47.8 -66.8 -38.9 -35.9 24.6 0.5 224 129 B A H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.884 111.4 49.9 -64.7 -40.2 -32.2 25.3 1.3 225 130 B C H <>S+ 0 0 3 -4,-2.2 5,-3.4 2,-0.2 4,-0.4 0.894 112.5 47.9 -65.3 -39.3 -31.8 21.8 2.6 226 131 B W H ><5S+ 0 0 184 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.958 113.7 48.0 -60.8 -50.8 -33.4 20.5 -0.6 227 132 B W H 3<5S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.936 117.4 40.2 -57.3 -49.4 -31.2 22.6 -2.7 228 133 B A T 3<5S- 0 0 6 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.339 111.9-114.2 -86.0 5.6 -27.9 21.7 -0.9 229 134 B G T < 5 + 0 0 60 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.887 63.2 151.6 67.0 35.4 -28.8 17.9 -0.5 230 135 B I < - 0 0 12 -5,-3.4 2,-0.6 -6,-0.2 -23,-0.2 -0.882 47.3-132.2-103.1 132.5 -29.1 18.1 3.3 231 136 B K E -i 207 0C 114 -25,-3.0 -23,-2.4 -2,-0.5 2,-0.5 -0.706 25.8-147.7 -69.8 113.5 -31.3 15.8 5.4 232 137 B Q E +i 208 0C 35 -2,-0.6 2,-0.2 -25,-0.2 -23,-0.2 -0.779 25.2 172.5 -91.5 126.4 -33.1 18.2 7.8 233 138 B E E -i 209 0C 69 -25,-3.0 -23,-2.5 -2,-0.5 2,-0.0 -0.800 33.5-100.3-124.5 168.4 -33.9 16.5 11.2 234 139 B D - 0 0 56 -2,-0.2 -1,-0.1 -25,-0.2 -23,-0.1 -0.198 26.8-128.7 -79.7 177.6 -35.3 17.7 14.6 235 140 B G + 0 0 31 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 -0.042 45.6 154.7-122.7 30.6 -32.9 18.4 17.5 236 141 B I - 0 0 94 1,-0.1 2,-2.2 2,-0.0 3,-0.3 -0.397 46.0-132.6 -64.4 123.8 -34.5 16.3 20.2 237 142 B P + 0 0 58 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.404 40.5 162.1 -78.9 66.1 -31.8 15.4 22.8 238 143 B Y S S+ 0 0 183 -2,-2.2 -2,-0.0 1,-0.2 3,-0.0 0.829 79.5 54.7 -49.8 -33.2 -32.8 11.6 22.9 239 144 B N S >> S- 0 0 84 -3,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.945 85.9-155.8 -96.8 110.1 -29.3 11.5 24.4 240 145 B P H 3> S+ 0 0 88 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.716 86.6 75.7 -64.4 -19.2 -29.4 14.1 27.3 241 146 B Q H 3> S+ 0 0 145 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 86.4 63.9 -57.5 -32.7 -25.6 14.5 27.0 242 147 B S H <> S+ 0 0 49 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.935 99.5 51.0 -53.3 -58.2 -26.3 16.7 23.8 243 148 B Q H X S+ 0 0 125 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 0.939 112.6 46.3 -41.8 -53.0 -28.1 19.3 25.8 244 149 B G H X S+ 0 0 30 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.897 111.4 51.5 -65.6 -39.8 -25.2 19.5 28.3 245 150 B V H X S+ 0 0 98 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.920 110.9 47.6 -62.8 -46.2 -22.5 19.7 25.6 246 151 B I H X S+ 0 0 41 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.930 112.0 48.3 -61.4 -49.5 -24.3 22.6 23.7 247 152 B E H X S+ 0 0 121 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.915 113.1 48.9 -60.0 -38.9 -24.9 24.7 26.9 248 153 B S H X S+ 0 0 64 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.930 110.7 51.0 -69.9 -42.5 -21.2 24.2 27.9 249 154 B M H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.933 107.9 51.9 -59.6 -47.0 -20.1 25.2 24.4 250 155 B N H X S+ 0 0 22 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.915 111.9 46.1 -52.4 -45.7 -22.3 28.4 24.5 251 156 B K H X S+ 0 0 157 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 111.5 51.7 -65.0 -43.9 -20.7 29.4 27.9 252 157 B E H X S+ 0 0 40 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.950 111.8 47.7 -58.6 -43.4 -17.2 28.6 26.5 253 158 B L H X S+ 0 0 9 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.909 111.7 48.9 -66.6 -41.9 -17.9 30.8 23.4 254 159 B K H X S+ 0 0 79 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.880 109.8 53.2 -62.8 -38.8 -19.2 33.7 25.5 255 160 B K H X S+ 0 0 135 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.973 112.6 42.9 -58.7 -53.2 -16.2 33.4 27.7 256 161 B I H X S+ 0 0 12 -4,-2.5 4,-1.2 1,-0.2 5,-0.2 0.936 111.5 54.7 -60.7 -43.9 -13.8 33.7 24.7 257 162 B I H >X S+ 0 0 7 -4,-3.4 4,-1.4 1,-0.2 3,-0.7 0.913 109.3 49.2 -57.9 -41.8 -15.9 36.5 23.2 258 163 B G H 3< S+ 0 0 52 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.882 107.0 53.7 -62.9 -40.7 -15.5 38.3 26.5 259 164 B Q H 3< S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.689 121.4 31.8 -65.4 -19.2 -11.7 37.8 26.5 260 165 B V H X< S+ 0 0 5 -4,-1.2 3,-2.6 -3,-0.7 4,-0.5 0.533 88.4 103.9-110.8 -11.5 -11.4 39.4 23.0 261 166 B R G >< S+ 0 0 59 -4,-1.4 3,-1.3 1,-0.3 -2,-0.1 0.798 78.0 50.9 -52.3 -39.3 -14.2 41.8 23.1 262 167 B D G 3 S+ 0 0 116 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.562 100.2 64.7 -79.3 -4.8 -12.2 45.0 23.6 263 168 B Q G < S+ 0 0 68 -3,-2.6 43,-2.7 42,-0.1 44,-0.4 0.572 102.0 58.6 -83.5 -12.4 -9.9 44.1 20.5 264 169 B A < - 0 0 2 -3,-1.3 -1,-0.0 -4,-0.5 3,-0.0 -0.970 60.8-159.0-123.2 136.8 -12.9 44.5 18.2 265 170 B E S S+ 0 0 77 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.895 85.1 50.3 -70.1 -48.0 -15.3 47.4 17.5 266 171 B H S >> S- 0 0 85 1,-0.1 4,-1.4 0, 0.0 3,-0.7 -0.727 78.7-133.0-100.8 141.5 -18.0 45.1 16.1 267 172 B L H 3> S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.840 104.0 65.0 -52.0 -38.0 -19.4 42.0 17.7 268 173 B K H 3> S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 101.7 49.7 -62.8 -35.2 -19.1 40.0 14.4 269 174 B T H <> S+ 0 0 7 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.924 109.9 49.9 -61.3 -46.9 -15.3 40.3 14.5 270 175 B A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.877 109.5 52.0 -56.9 -41.5 -15.2 39.1 18.2 271 176 B V H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.897 110.5 47.6 -65.1 -38.1 -17.4 36.1 17.2 272 177 B Q H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.839 110.2 52.7 -73.2 -31.7 -15.0 35.1 14.3 273 178 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.894 110.8 48.4 -63.4 -41.6 -12.0 35.6 16.7 274 179 B A H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.889 109.4 50.9 -68.2 -39.7 -13.9 33.1 19.1 275 180 B V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.954 110.8 50.8 -55.6 -47.2 -14.5 30.6 16.3 276 181 B F H X S+ 0 0 31 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.939 113.7 42.6 -59.3 -50.4 -10.8 30.8 15.4 277 182 B I H X S+ 0 0 56 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.921 114.2 51.1 -68.7 -44.1 -9.6 30.1 19.0 278 183 B H H < S+ 0 0 15 -4,-2.8 10,-0.5 1,-0.2 3,-0.5 0.952 113.1 44.6 -55.4 -48.3 -12.2 27.4 19.7 279 184 B N H < S+ 0 0 3 -4,-2.8 10,-2.4 1,-0.2 11,-0.4 0.762 117.2 44.9 -72.5 -23.6 -11.3 25.5 16.4 280 185 B H H < S+ 0 0 73 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 0.551 84.6 116.3 -92.0 -12.3 -7.5 25.8 17.0 281 186 B K < - 0 0 106 -4,-1.1 7,-0.5 -3,-0.5 2,-0.5 -0.431 61.5-139.0 -62.9 121.3 -7.5 24.9 20.8 282 187 B R B J 287 0D 148 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.682 360.0 360.0 -83.3 126.3 -5.7 21.6 21.5 283 188 B K 0 0 134 3,-1.7 3,-0.5 -2,-0.5 -1,-0.0 -0.945 360.0 360.0-112.0 360.0 -7.6 19.6 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 80 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 133.7 -3.8 16.2 21.9 286 194 B Y - 0 0 146 -3,-0.5 -3,-1.7 -4,-0.1 2,-0.2 -0.626 360.0-121.7-104.0 158.7 -5.6 17.4 18.8 287 195 B S B > -J 282 0D 8 -5,-0.2 4,-2.3 -2,-0.2 -5,-0.2 -0.500 29.3-110.8 -87.0 166.2 -7.7 20.5 17.9 288 196 B A H > S+ 0 0 2 -7,-0.5 4,-2.3 -10,-0.5 -110,-0.3 0.883 120.7 57.0 -60.8 -38.9 -11.3 20.4 16.6 289 197 B G H > S+ 0 0 21 -10,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.901 109.7 44.6 -57.5 -42.8 -10.0 21.6 13.2 290 198 B E H > S+ 0 0 32 -11,-0.4 4,-2.4 1,-0.2 5,-0.2 0.902 111.5 53.1 -63.2 -44.6 -7.6 18.6 13.1 291 199 B R H X S+ 0 0 79 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 106.6 50.5 -63.1 -42.6 -10.3 16.2 14.2 292 200 B I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.959 112.9 46.5 -67.5 -42.5 -12.9 17.3 11.5 293 201 B V H X S+ 0 0 3 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.933 114.8 47.2 -60.5 -46.3 -10.3 16.9 8.6 294 202 B D H X S+ 0 0 63 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.910 113.4 48.4 -59.7 -46.8 -9.1 13.5 9.9 295 203 B I H X S+ 0 0 42 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.945 116.0 42.2 -63.6 -47.5 -12.7 12.2 10.4 296 204 B I H X S+ 0 0 4 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.899 114.2 50.5 -70.2 -37.8 -13.8 13.3 6.9 297 205 B A H X S+ 0 0 5 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.897 108.7 53.2 -65.6 -37.6 -10.6 12.1 5.2 298 206 B T H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.920 111.5 46.8 -59.7 -44.3 -10.9 8.7 6.9 299 207 B D H < S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 109.9 51.4 -68.7 -35.9 -14.4 8.5 5.5 300 208 B I H < 0 0 44 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.911 360.0 360.0 -65.4 -39.7 -13.4 9.5 2.0 301 209 B Q < 0 0 127 -4,-2.1 -1,-0.1 -5,-0.1 -4,-0.0 -0.350 360.0 360.0 -63.2 360.0 -10.7 6.9 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 G S 0 0 64 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 30.0 -10.3 53.9 17.0 304 2 G H + 0 0 171 5,-1.5 2,-0.3 1,-0.2 5,-0.2 0.845 360.0 117.5 51.3 50.1 -7.6 51.3 18.2 305 3 G K B > S-K 308 0E 63 3,-2.5 3,-1.1 1,-0.1 -41,-0.2 -0.962 74.6-115.2-132.0 155.7 -9.4 48.0 17.3 306 4 G I T 3 S+ 0 0 27 -43,-2.7 3,-0.3 -2,-0.3 -42,-0.2 0.880 121.2 40.4 -53.0 -36.3 -8.3 45.2 14.8 307 5 G D T 3 S+ 0 0 14 -44,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.468 129.2 30.2 -98.9 -3.4 -11.4 46.1 12.7 308 6 G N B < +K 305 0E 41 -3,-1.1 -3,-2.5 1,-0.0 -1,-0.3 -0.694 65.8 179.3-152.1 91.2 -11.1 49.8 13.1 309 7 G L 0 0 74 -3,-0.3 -5,-1.5 -5,-0.2 -3,-0.1 0.824 360.0 360.0 -70.3 -29.3 -7.4 50.8 13.5 310 8 G D 0 0 162 -7,-0.3 -1,-0.2 -6,-0.1 -2,-0.0 0.858 360.0 360.0 -57.9 360.0 -8.3 54.5 13.8 311 !* 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 H S 0 0 53 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 2.0 -41.7 35.1 -5.4 313 2 H H + 0 0 171 5,-2.2 2,-0.4 1,-0.3 5,-0.2 0.818 360.0 124.6 78.7 33.4 -40.6 31.5 -6.4 314 3 H K B > S-L 317 0F 61 3,-2.0 3,-1.7 1,-0.1 -1,-0.3 -0.954 70.7-123.3-112.3 146.4 -36.9 32.1 -5.5 315 4 H I T 3 S+ 0 0 27 -203,-2.3 3,-0.3 -2,-0.4 -91,-0.2 0.861 116.6 41.3 -52.7 -35.9 -35.0 29.8 -3.1 316 5 H D T 3 S+ 0 0 20 -204,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.417 128.5 29.9 -98.3 -0.2 -34.2 32.9 -1.0 317 6 H N B < +L 314 0F 41 -3,-1.7 -3,-2.0 1,-0.1 -1,-0.3 -0.601 66.0 178.9-155.2 86.1 -37.6 34.5 -1.3 318 7 H L 0 0 61 -3,-0.3 -5,-2.2 1,-0.3 -3,-0.1 0.854 360.0 360.0 -63.3 -35.2 -40.2 31.7 -1.7 319 8 H D 0 0 153 -7,-0.3 -1,-0.3 -6,-0.1 -3,-0.0 0.819 360.0 360.0 -43.3 360.0 -43.0 34.3 -1.9