==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA INTEGRATION 19-JUN-98 1BIU . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.GOLDGUR,F.DYDA,A.B.HICKMAN,T.M.JENKINS,R.CRAIGIE, . 439 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 3 0.7 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 0 0 0 0 0 3 0 3 0 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 3 3 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 3 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 56 A C > 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 114.1 -6.7 33.7 26.7 2 57 A S G > + 0 0 84 1,-0.3 3,-0.9 2,-0.2 23,-0.6 0.853 360.0 48.6 -45.8 -46.5 -4.7 30.4 27.0 3 58 A P G 3 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 140,-0.1 0.695 114.5 45.9 -72.2 -15.0 -4.7 30.6 30.9 4 59 A G G < S+ 0 0 0 -3,-1.7 53,-2.4 51,-0.1 52,-2.2 0.262 86.6 108.6-110.4 14.3 -8.4 31.3 31.1 5 60 A I E < +a 57 0A 36 -3,-0.9 19,-0.8 -4,-0.5 20,-0.4 -0.802 38.9 171.8 -99.3 130.1 -9.8 28.7 28.7 6 61 A W E -aB 58 23A 0 51,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.910 20.5-147.3-131.1 155.2 -11.7 25.6 29.9 7 62 A Q E -aB 59 22A 27 15,-2.0 15,-2.4 -2,-0.3 2,-0.3 -0.984 15.4-166.1-124.4 135.0 -13.6 22.8 28.2 8 63 A L E + B 0 21A 4 51,-2.2 53,-0.4 -2,-0.4 2,-0.3 -0.917 16.9 148.9-122.6 150.2 -16.7 21.1 29.8 9 64 A D E - B 0 20A 32 11,-2.1 11,-2.7 -2,-0.3 2,-0.4 -0.954 36.1-118.2-170.3 156.8 -18.5 18.0 28.9 10 65 A C E - B 0 19A 10 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.880 25.2-179.6-107.8 141.9 -20.5 15.2 30.5 11 66 A T E - B 0 18A 11 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.759 18.9-128.6-127.9 171.1 -19.6 11.5 30.5 12 67 A H E + B 0 17A 88 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.985 25.6 165.3-135.6 144.5 -21.4 8.5 32.0 13 68 A L E > S- B 0 16A 45 3,-1.5 3,-2.2 -2,-0.4 98,-0.0 -0.972 73.0 -1.9-152.9 135.0 -20.8 5.6 34.3 14 69 A E T 3 S- 0 0 103 -2,-0.3 3,-0.1 1,-0.3 97,-0.1 0.797 128.6 -56.6 53.9 36.0 -23.1 3.2 36.2 15 70 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.560 114.3 117.3 75.0 10.0 -26.2 5.1 34.9 16 71 A K E < -B 13 0A 101 -3,-2.2 -3,-1.5 20,-0.0 2,-0.5 -0.726 63.6-121.1-113.3 158.5 -24.9 8.4 36.4 17 72 A V E -BC 12 34A 19 17,-0.7 17,-2.1 -2,-0.3 2,-0.5 -0.838 19.8-166.4 -99.1 130.4 -23.8 11.7 34.9 18 73 A I E -BC 11 33A 0 -7,-2.6 -7,-2.2 -2,-0.5 2,-0.5 -0.975 10.0-150.8-118.8 116.1 -20.3 13.0 35.5 19 74 A L E -BC 10 32A 0 13,-2.9 13,-2.0 -2,-0.5 2,-0.4 -0.789 19.0-167.4 -87.6 128.2 -19.7 16.7 34.7 20 75 A V E -BC 9 31A 0 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.4 -0.973 13.8-174.1-125.6 134.6 -16.1 17.3 33.7 21 76 A A E -BC 8 30A 0 9,-2.8 9,-2.0 -2,-0.4 2,-0.4 -0.960 8.0-166.0-122.6 140.2 -14.1 20.5 33.2 22 77 A V E -BC 7 29A 0 -15,-2.4 -15,-2.0 -2,-0.4 2,-1.2 -0.995 21.9-138.3-131.2 131.4 -10.6 20.7 31.8 23 78 A H E >>> -BC 6 28A 0 5,-3.2 4,-2.7 -2,-0.4 3,-2.1 -0.795 24.6-154.8 -87.2 98.3 -8.1 23.6 31.9 24 79 A V T 345S+ 0 0 54 -2,-1.2 -1,-0.2 -19,-0.8 3,-0.1 0.880 84.3 55.9 -39.8 -57.6 -6.8 23.1 28.4 25 80 A A T 345S+ 0 0 39 -23,-0.6 -1,-0.3 -20,-0.4 -19,-0.1 0.555 124.9 20.2 -59.6 -9.1 -3.4 24.7 28.8 26 81 A S T <45S- 0 0 7 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.550 93.4-120.8-135.3 -19.5 -2.4 22.4 31.7 27 82 A G T <5 + 0 0 9 -4,-2.7 -3,-0.2 1,-0.3 108,-0.1 0.490 59.6 149.3 87.0 -1.7 -4.6 19.3 31.6 28 83 A Y E < -C 23 0A 0 -5,-0.6 -5,-3.2 107,-0.3 -1,-0.3 -0.459 27.2-165.9 -65.9 138.5 -5.8 20.0 35.1 29 84 A I E -C 22 0A 1 -7,-0.2 2,-0.4 90,-0.2 -7,-0.2 -0.875 24.0-166.1-130.6 162.6 -9.4 18.7 35.7 30 85 A E E +C 21 0A 8 -9,-2.0 -9,-2.8 -2,-0.3 2,-0.3 -0.982 20.7 172.0-143.2 130.2 -12.4 19.0 38.0 31 86 A A E +C 20 0A 5 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.968 7.4 175.4-141.3 158.9 -15.2 16.5 37.8 32 87 A E E -C 19 0A 24 -13,-2.0 -13,-2.9 -2,-0.3 2,-0.3 -0.925 34.3-114.3-166.6 137.4 -18.3 15.7 39.8 33 88 A V E -C 18 0A 23 -2,-0.3 -15,-0.3 -15,-0.3 3,-0.0 -0.611 36.3-160.8 -73.0 127.8 -21.3 13.4 39.6 34 89 A I E -C 17 0A 8 -17,-2.1 -17,-0.7 -2,-0.3 3,-0.1 -0.898 24.7-124.8-111.8 144.0 -24.4 15.5 39.2 35 90 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.859 93.3 4.8 -53.8 -36.4 -27.9 14.3 40.0 36 91 A A S S- 0 0 41 2,-0.1 2,-2.4 -20,-0.1 5,-0.2 -0.994 74.4-112.4-151.4 149.6 -29.1 15.2 36.5 37 92 A E + 0 0 81 -2,-0.3 2,-0.2 -3,-0.1 28,-0.2 -0.391 69.6 139.8 -78.9 62.3 -27.6 16.6 33.2 38 93 A T > - 0 0 57 -2,-2.4 4,-2.3 1,-0.1 5,-0.2 -0.662 68.5-117.9-109.2 164.3 -29.4 19.9 33.6 39 94 A G H > S+ 0 0 9 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.874 115.5 57.7 -64.1 -34.2 -28.5 23.5 33.0 40 95 A Q H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 108.9 41.8 -61.8 -50.7 -29.2 24.1 36.6 41 96 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 116.3 51.0 -64.4 -38.6 -26.6 21.5 37.8 42 97 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 109.1 49.8 -65.6 -42.0 -24.2 22.7 35.1 43 98 A A H X S+ 0 0 7 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.888 109.7 52.1 -64.7 -37.8 -24.6 26.3 36.1 44 99 A Y H X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.929 110.5 47.3 -63.1 -46.7 -23.9 25.4 39.8 45 100 A F H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.922 111.3 53.0 -60.9 -43.3 -20.7 23.5 38.8 46 101 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.862 106.3 51.3 -62.0 -41.5 -19.6 26.5 36.7 47 102 A L H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.929 111.6 47.2 -62.8 -44.9 -20.1 29.0 39.5 48 103 A K H >X S+ 0 0 13 -4,-1.9 4,-0.8 2,-0.2 3,-0.6 0.968 113.9 48.6 -60.1 -49.9 -18.0 27.0 41.9 49 104 A L H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-1.1 0.918 111.3 49.4 -56.1 -48.5 -15.3 26.5 39.2 50 105 A A H 3< S+ 0 0 2 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.733 106.1 55.2 -65.2 -27.8 -15.3 30.2 38.4 51 106 A G H << S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.639 114.2 43.0 -80.5 -10.1 -14.9 31.3 42.0 52 107 A R H << S+ 0 0 23 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.1 0.867 121.9 21.8 -97.7 -49.7 -11.8 29.1 42.3 53 108 A W S < S- 0 0 1 -4,-2.3 2,-1.8 -5,-0.1 -1,-0.2 -0.728 89.9 -92.3-121.2 165.5 -10.0 29.8 39.0 54 109 A P - 0 0 49 0, 0.0 2,-0.9 0, 0.0 -4,-0.1 -0.563 48.6-175.9 -79.6 80.2 -9.9 32.6 36.4 55 110 A V + 0 0 10 -2,-1.8 -50,-0.1 -5,-0.3 3,-0.1 -0.724 19.1 153.5 -83.7 106.7 -12.5 31.1 34.0 56 111 A K + 0 0 86 -52,-2.2 25,-3.2 -2,-0.9 2,-0.4 0.793 64.5 20.6-101.5 -38.9 -12.7 33.4 31.0 57 112 A T E -ad 5 81A 16 -53,-2.4 -51,-2.7 23,-0.2 2,-0.4 -0.997 59.9-163.4-138.2 132.4 -14.0 31.1 28.2 58 113 A V E -ad 6 82A 3 23,-2.5 25,-1.8 -2,-0.4 2,-0.5 -0.955 6.7-160.0-116.2 130.8 -15.8 27.8 28.4 59 114 A H E +ad 7 83A 64 -53,-2.3 -51,-2.2 -2,-0.4 2,-0.3 -0.960 24.5 154.8-110.5 125.3 -15.9 25.6 25.3 60 115 A T E - d 0 84A 12 23,-2.2 25,-2.3 -2,-0.5 -51,-0.1 -0.868 38.1-102.9-140.7 173.6 -18.7 22.9 25.2 61 116 A D - 0 0 62 -53,-0.4 -1,-0.1 -2,-0.3 22,-0.0 -0.117 53.1 -78.7 -86.1-169.0 -20.7 20.9 22.7 62 117 A N S S+ 0 0 137 23,-0.4 5,-0.2 22,-0.1 22,-0.0 0.535 77.2 145.6 -69.3 -10.1 -24.3 21.5 21.6 63 118 A G >> - 0 0 19 1,-0.1 4,-1.9 3,-0.1 3,-0.6 0.062 56.8-126.9 -40.2 132.2 -25.7 19.9 24.8 64 119 A S H 3> S+ 0 0 104 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.835 109.2 54.3 -48.5 -43.1 -29.0 21.3 26.2 65 120 A N H 34 S+ 0 0 7 1,-0.2 3,-0.4 -28,-0.2 6,-0.3 0.923 111.1 44.6 -62.6 -40.8 -27.5 21.8 29.6 66 121 A F H <4 S+ 0 0 4 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 116.2 46.5 -75.8 -25.5 -24.6 23.9 28.2 67 122 A T H < S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.532 88.7 121.7 -92.1 -7.3 -26.9 25.9 25.9 68 123 A S S X S- 0 0 25 -4,-1.1 4,-2.1 -3,-0.4 5,-0.1 -0.078 71.4-123.5 -57.3 154.4 -29.5 26.5 28.6 69 124 A T H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.828 111.5 58.7 -69.5 -31.3 -30.5 30.0 29.7 70 125 A T H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 108.4 44.0 -66.2 -40.3 -29.6 29.2 33.3 71 126 A V H > S+ 0 0 2 -6,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.918 112.2 54.9 -68.4 -38.0 -25.9 28.4 32.2 72 127 A K H X S+ 0 0 131 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 109.1 46.5 -59.0 -46.6 -26.0 31.6 30.0 73 128 A A H X S+ 0 0 57 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.877 110.2 53.4 -63.9 -40.7 -27.0 33.7 33.0 74 129 A A H X S+ 0 0 10 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.966 110.9 47.1 -58.7 -50.6 -24.3 32.1 35.2 75 130 A C H X>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 4,-1.1 0.885 111.4 49.9 -60.7 -40.0 -21.7 32.9 32.6 76 131 A E H ><5S+ 0 0 168 -4,-2.4 3,-0.5 2,-0.2 -1,-0.2 0.938 113.0 46.8 -66.0 -42.0 -22.9 36.5 32.2 77 132 A W H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 117.6 43.5 -62.6 -43.2 -22.8 37.0 36.0 78 133 A G H 3<5S- 0 0 14 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.537 111.5-120.0 -80.0 -7.9 -19.4 35.4 36.1 79 134 A G T <<5 + 0 0 61 -4,-1.1 2,-0.4 -3,-0.5 -3,-0.2 0.849 61.0 151.8 70.9 33.6 -18.1 37.3 33.1 80 135 A I < - 0 0 13 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.3 -0.843 39.2-141.0-101.9 134.0 -17.4 34.0 31.2 81 136 A K E -d 57 0A 120 -25,-3.2 -23,-2.5 -2,-0.4 2,-0.3 -0.761 18.1-145.1 -93.0 137.3 -17.6 33.9 27.4 82 137 A Q E -d 58 0A 44 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.815 16.8-177.8-107.9 150.2 -19.1 30.8 25.9 83 138 A E E -d 59 0A 78 -25,-1.8 -23,-2.2 -2,-0.3 2,-0.4 -0.994 11.3-154.3-144.2 130.8 -18.3 29.0 22.7 84 139 A F E d 60 0A 98 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.925 360.0 360.0-112.1 136.6 -20.1 25.9 21.3 85 140 A G 0 0 84 -25,-2.3 -23,-0.4 -2,-0.4 -1,-0.1 -0.319 360.0 360.0-174.0 360.0 -18.5 23.4 19.0 86 ! 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 87 148 A Q >> 0 0 164 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -51.7 -11.2 19.0 20.6 88 149 A G H 3> + 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.677 360.0 75.9 -46.2 -26.9 -9.4 15.8 21.5 89 150 A V H 3> S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 94.0 43.1 -54.0 -63.0 -8.5 17.0 25.0 90 151 A I H <> S+ 0 0 13 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.872 114.5 54.3 -56.5 -34.9 -11.9 16.7 26.8 91 152 A E H X S+ 0 0 44 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.921 108.5 47.8 -64.0 -45.3 -12.3 13.3 25.1 92 153 A S H X S+ 0 0 18 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.899 111.3 51.3 -61.7 -44.6 -8.9 12.0 26.4 93 154 A M H X S+ 0 0 26 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.921 108.7 49.4 -61.4 -47.3 -9.7 13.3 29.9 94 155 A N H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.918 113.6 48.6 -57.6 -43.3 -13.1 11.5 30.1 95 156 A K H X S+ 0 0 126 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.970 116.2 40.5 -61.7 -53.5 -11.4 8.4 28.9 96 157 A E H X S+ 0 0 70 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.840 112.2 55.7 -66.9 -34.1 -8.5 8.5 31.4 97 158 A L H X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.956 108.4 48.7 -62.4 -47.3 -10.8 9.7 34.2 98 159 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.875 110.3 53.2 -59.2 -37.6 -12.9 6.6 33.6 99 160 A K H X S+ 0 0 137 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.972 112.1 41.9 -62.6 -54.9 -9.8 4.5 33.6 100 161 A I H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.899 112.1 55.8 -60.2 -40.5 -8.6 5.8 37.0 101 162 A I H X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.937 107.3 51.1 -57.4 -42.5 -12.1 5.5 38.3 102 163 A G H < S+ 0 0 50 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.892 108.5 50.9 -61.4 -40.8 -12.0 1.9 37.3 103 164 A Q H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 122.5 29.9 -66.9 -35.4 -8.7 1.4 39.2 104 165 A V H >< S+ 0 0 8 -4,-2.0 3,-2.0 -3,-0.2 4,-0.4 0.406 83.7 111.4-106.6 3.3 -9.9 2.9 42.4 105 166 A R G >< S+ 0 0 59 -4,-1.5 3,-0.9 1,-0.3 -1,-0.1 0.808 77.2 55.4 -47.4 -33.3 -13.6 2.0 42.2 106 167 A D G 3 S+ 0 0 152 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.751 94.3 66.8 -74.8 -23.4 -13.3 -0.5 45.1 107 168 A Q G < S+ 0 0 115 -3,-2.0 2,-0.4 -4,-0.0 -1,-0.2 0.506 97.3 62.4 -77.1 -4.3 -11.8 2.0 47.6 108 169 A A < - 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0 0 13 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.842 39.1-140.0-101.2 133.6 -3.8 14.9 55.3 230 136 B K E -h 206 0B 119 -25,-3.5 -23,-2.4 -2,-0.4 2,-0.3 -0.770 18.3-144.3 -92.7 134.8 -2.9 15.5 58.9 231 137 B Q E -h 207 0B 43 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.785 17.4-178.7-104.5 148.1 -5.6 16.5 61.3 232 138 B E E -h 208 0B 78 -25,-2.0 -23,-2.1 -2,-0.3 2,-0.5 -0.994 9.6-164.6-143.0 129.2 -5.6 18.9 64.3 233 139 B F E h 209 0B 96 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.970 360.0 360.0-112.2 114.9 -8.5 19.7 66.6 234 140 B G 0 0 120 -25,-1.5 -2,-0.1 -2,-0.5 -23,-0.0 -0.976 360.0 360.0 173.9 360.0 -7.7 22.8 68.7 235 ! 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 0.0 236 149 B G 0 0 68 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.8 -8.9 32.7 64.6 237 150 B V > + 0 0 48 1,-0.2 4,-2.4 4,-0.0 5,-0.2 -0.490 360.0 65.1 86.2 -66.4 -9.4 33.3 60.8 238 151 B I H > S+ 0 0 15 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.848 101.3 53.7 -56.7 -33.1 -12.1 30.7 60.2 239 152 B E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 108.8 47.8 -66.4 -45.1 -14.4 32.8 62.5 240 153 B S H > S+ 0 0 72 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.900 111.4 51.1 -62.1 -44.1 -13.8 36.0 60.4 241 154 B M H X S+ 0 0 28 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.932 108.6 49.4 -60.6 -48.8 -14.4 34.2 57.2 242 155 B N H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.915 113.6 49.1 -56.8 -42.6 -17.7 32.7 58.3 243 156 B K H X S+ 0 0 163 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.970 116.1 40.1 -62.1 -53.5 -18.7 36.2 59.4 244 157 B E H X S+ 0 0 72 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.831 112.2 56.2 -67.8 -32.1 -17.7 37.9 56.2 245 158 B L H X S+ 0 0 1 -4,-3.3 4,-3.1 -5,-0.2 -1,-0.2 0.947 108.1 48.6 -63.7 -46.5 -19.1 35.1 54.0 246 159 B K H X S+ 0 0 81 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.870 110.2 53.5 -59.7 -36.9 -22.4 35.6 55.7 247 160 B K H X S+ 0 0 138 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.965 112.0 41.8 -62.9 -53.1 -22.1 39.4 55.0 248 161 B I H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.910 112.0 55.8 -61.7 -42.1 -21.5 38.9 51.3 249 162 B I H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.927 107.6 50.8 -55.9 -41.7 -24.2 36.3 51.2 250 163 B G H < S+ 0 0 48 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.908 108.6 50.8 -62.0 -42.3 -26.5 38.9 52.7 251 164 B Q H < S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 122.3 30.6 -65.7 -35.0 -25.5 41.5 50.1 252 165 B V H >< S+ 0 0 8 -4,-2.1 3,-0.5 -5,-0.1 4,-0.3 0.430 87.4 105.9-106.4 3.2 -26.1 39.2 47.1 253 166 B R G >< S+ 0 0 55 -4,-1.4 3,-1.1 -3,-0.3 -1,-0.1 0.829 80.9 49.3 -50.6 -44.9 -28.9 37.0 48.6 254 167 B D G 3 S+ 0 0 154 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.889 98.0 71.3 -62.6 -39.0 -31.7 38.6 46.5 255 168 B Q G < S+ 0 0 127 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.454 102.6 39.9 -60.9 -2.9 -29.7 38.2 43.3 256 169 B A S < S- 0 0 19 -3,-1.1 6,-0.0 -4,-0.3 4,-0.0 -0.988 73.4-132.1-146.6 151.8 -30.1 34.4 43.2 257 170 B E S S+ 0 0 165 -2,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.989 86.2 43.2 -67.6 -62.7 -33.0 32.0 44.0 258 171 B H S > S- 0 0 88 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.552 76.2-127.4 -90.9 154.7 -31.4 29.4 46.2 259 172 B L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 108.1 61.8 -61.6 -45.2 -29.1 29.9 49.1 260 173 B K H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 106.1 46.5 -51.4 -36.6 -26.6 27.4 47.6 261 174 B T H > S+ 0 0 37 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.937 110.2 51.9 -71.8 -45.3 -26.2 29.7 44.6 262 175 B A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.873 106.2 56.4 -57.5 -38.2 -25.8 32.8 46.7 263 176 B V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.919 108.5 45.9 -60.2 -45.1 -23.1 31.0 48.7 264 177 B Q H X S+ 0 0 5 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.808 111.2 51.9 -69.6 -31.2 -21.1 30.4 45.5 265 178 B M H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.946 110.8 49.2 -68.5 -43.1 -21.6 34.0 44.4 266 179 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.894 110.2 49.6 -60.4 -45.9 -20.3 35.1 47.8 267 180 B V H X S+ 0 0 4 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.953 111.1 50.3 -58.9 -48.3 -17.3 32.9 47.5 268 181 B F H X S+ 0 0 33 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 112.9 46.2 -54.5 -50.7 -16.5 34.2 44.0 269 182 B I H X S+ 0 0 46 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.920 113.8 48.6 -60.8 -45.2 -16.8 37.8 45.3 270 183 B H H < S+ 0 0 19 -4,-2.8 13,-0.5 1,-0.2 -2,-0.2 0.921 113.2 45.4 -62.1 -49.0 -14.6 37.1 48.3 271 184 B N H < S+ 0 0 0 -4,-3.0 13,-2.4 1,-0.2 14,-0.4 0.744 117.9 44.0 -68.0 -25.3 -11.9 35.4 46.4 272 185 B K H < S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.674 89.7 114.0 -91.1 -22.3 -11.8 38.0 43.6 273 186 B K < - 0 0 86 -4,-1.7 10,-0.5 -5,-0.2 2,-0.3 -0.187 47.5-162.6 -57.2 138.1 -12.0 41.0 46.0 274 187 B R + 0 0 126 8,-0.1 8,-0.1 1,-0.1 -1,-0.1 -0.831 24.6 162.0-118.6 160.8 -9.1 43.4 46.3 275 188 B K + 0 0 191 6,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.258 50.7 86.8-162.2 15.8 -8.1 46.0 48.9 276 189 B G S S- 0 0 57 1,-0.3 4,-0.1 5,-0.1 -2,-0.1 0.184 88.5 -48.9 -96.5-143.2 -4.4 46.9 48.5 277 190 B G S > S- 0 0 60 1,-0.1 2,-2.6 2,-0.1 3,-0.9 0.124 87.1 -57.8 -75.5-160.6 -2.8 49.5 46.2 278 191 B I T 3 S+ 0 0 190 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 -0.413 139.7 16.4 -80.2 64.6 -3.6 49.9 42.5 279 192 B G T 3 S+ 0 0 64 -2,-2.6 -1,-0.3 2,-0.0 -2,-0.1 0.537 87.3 141.6 134.0 49.4 -2.6 46.3 41.9 280 193 B G < - 0 0 21 -3,-0.9 2,-0.3 1,-0.1 -6,-0.0 0.275 53.3 -82.7 -85.5-136.4 -2.5 44.5 45.2 281 194 B Y - 0 0 91 -8,-0.0 -6,-0.4 4,-0.0 2,-0.2 -0.982 24.1-143.3-141.0 147.5 -3.6 40.9 45.5 282 195 B S > - 0 0 6 -2,-0.3 4,-2.4 -8,-0.1 3,-0.3 -0.610 37.0-107.2 -97.9 166.3 -6.9 39.0 45.8 283 196 B A H > S+ 0 0 3 -10,-0.5 4,-2.4 -13,-0.5 -106,-0.3 0.925 122.0 55.5 -61.0 -41.2 -7.2 35.9 47.9 284 197 B G H > S+ 0 0 12 -13,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.840 110.8 44.4 -59.5 -35.9 -7.4 33.9 44.7 285 198 B E H > S+ 0 0 37 -14,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.845 110.1 55.1 -78.0 -35.0 -4.2 35.4 43.5 286 199 B R H X S+ 0 0 104 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.917 105.9 51.2 -65.2 -43.6 -2.4 34.9 46.8 287 200 B I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.937 112.4 44.2 -62.1 -45.8 -3.1 31.2 47.0 288 201 B V H X S+ 0 0 4 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.850 115.0 50.4 -67.9 -31.9 -1.8 30.4 43.5 289 202 B D H X S+ 0 0 44 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.965 112.0 47.2 -67.6 -50.0 1.3 32.6 44.1 290 203 B I H X S+ 0 0 44 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.928 117.1 42.3 -56.0 -49.2 2.0 30.9 47.4 291 204 B I H X S+ 0 0 11 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.875 114.1 52.3 -68.8 -36.5 1.6 27.5 46.0 292 205 B A H >< S+ 0 0 6 -4,-2.3 3,-1.5 -5,-0.2 4,-0.5 0.951 109.6 47.3 -65.3 -49.0 3.5 28.4 42.8 293 206 B T H >< S+ 0 0 92 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.762 109.2 57.0 -65.3 -21.4 6.5 29.8 44.7 294 207 B D H 3< S+ 0 0 93 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.575 92.8 67.4 -84.9 -12.1 6.5 26.7 46.8 295 208 B I T << 0 0 45 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.661 360.0 360.0 -78.9 -16.4 6.8 24.3 43.8 296 209 B Q < 0 0 172 -3,-0.5 -2,-0.2 -4,-0.5 -3,-0.1 0.724 360.0 360.0-116.5 360.0 10.4 25.7 43.3 297 !* 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 0.0 298 56 C C > 0 0 84 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 114.2 8.2 22.8 14.1 299 57 C S G > + 0 0 83 1,-0.3 3,-1.0 2,-0.2 23,-0.6 0.861 360.0 48.5 -45.3 -46.9 4.4 23.1 14.1 300 58 C P G 3 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 139,-0.1 0.696 114.6 45.6 -72.0 -15.4 4.1 22.6 10.3 301 59 C G G < S+ 0 0 0 -3,-1.8 53,-2.5 51,-0.1 52,-2.1 0.242 87.1 108.1-110.3 14.1 6.4 19.5 10.4 302 60 C I E < +i 354 0C 39 -3,-1.0 19,-0.8 -4,-0.5 20,-0.4 -0.815 39.2 171.5 -99.1 129.8 4.9 17.6 13.4 303 61 C W E -iJ 355 320C 1 51,-2.7 53,-2.4 -2,-0.5 2,-0.4 -0.909 21.0-146.1-131.2 155.7 2.9 14.4 12.9 304 62 C Q E -iJ 356 319C 38 15,-2.0 15,-2.3 -2,-0.3 2,-0.3 -0.977 15.5-166.0-123.4 136.5 1.5 11.8 15.3 305 63 C L E + J 0 318C 4 51,-2.2 53,-0.4 -2,-0.4 2,-0.3 -0.928 17.1 148.8-124.0 149.1 1.2 8.1 14.4 306 64 C D E - 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