==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-FEB-12 4AHV . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR J.WIELENS,S.J.HEADY,D.I.RHODES,R.J.MULDER,O.DOLEZAL,J.J.DEAD . 299 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 4 1.3 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 2 0 0 0 0 2 0 0 2 4 0 0 0 0 1 1 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 . 2 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 0 103 0, 0.0 3,-1.5 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 136.9 1.4 23.2 0.5 2 58 A P T 3 + 0 0 27 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.747 360.0 50.0 -63.1 -22.8 -1.6 22.4 2.8 3 59 A G T 3 S+ 0 0 4 51,-0.1 53,-2.2 52,-0.0 52,-1.9 0.325 83.9 109.9 -94.8 2.7 -1.7 26.0 4.3 4 60 A I E < +a 56 0A 35 -3,-1.5 19,-1.8 51,-0.2 20,-0.4 -0.754 37.8 170.8 -93.1 125.6 -1.6 28.2 1.1 5 61 A W E -aB 57 22A 1 51,-2.4 53,-2.7 -2,-0.5 2,-0.4 -0.889 20.4-145.5-126.0 156.8 -4.6 30.2 -0.0 6 62 A Q E -aB 58 21A 35 15,-2.8 15,-3.1 -2,-0.3 2,-0.3 -0.981 13.1-138.0-121.3 133.1 -5.1 32.9 -2.7 7 63 A L E - B 0 20A 2 51,-3.1 2,-0.3 -2,-0.4 13,-0.2 -0.625 23.1-177.9 -85.6 146.1 -7.4 35.8 -2.5 8 64 A D E - B 0 19A 11 11,-2.6 11,-3.4 -2,-0.3 2,-0.5 -0.994 10.6-163.2-146.0 131.6 -9.5 36.6 -5.6 9 65 A C E + B 0 18A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 15.9 172.6-122.8 122.5 -11.9 39.6 -6.0 10 66 A T E - B 0 17A 11 7,-2.6 7,-3.6 -2,-0.5 2,-0.4 -0.845 21.2-131.0-128.3 160.5 -14.5 39.5 -8.9 11 67 A H E + B 0 16A 111 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.916 27.8 157.9-120.9 141.6 -17.4 41.7 -9.8 12 68 A L E > + B 0 15A 45 3,-1.8 3,-2.2 -2,-0.4 -2,-0.0 -0.919 69.7 4.5-157.1 139.0 -21.0 41.0 -10.7 13 69 A E T 3 S- 0 0 96 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.892 127.3 -62.3 57.3 39.0 -24.2 43.0 -10.6 14 70 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.696 118.6 108.1 60.3 14.5 -22.2 46.1 -9.5 15 71 A K E < -B 12 0A 86 -3,-2.2 -3,-1.8 20,-0.0 2,-0.4 -0.733 69.0-119.2-120.2 168.5 -21.2 44.1 -6.3 16 72 A V E -BC 11 33A 9 17,-1.6 17,-2.5 -2,-0.2 2,-0.5 -0.926 14.6-159.9-108.6 138.2 -17.9 42.5 -5.3 17 73 A I E -BC 10 32A 4 -7,-3.6 -7,-2.6 -2,-0.4 2,-0.5 -0.975 10.6-157.6-115.1 119.1 -17.5 38.8 -4.6 18 74 A L E -BC 9 31A 0 13,-2.6 13,-2.0 -2,-0.5 2,-0.4 -0.910 14.2-171.8 -97.4 128.6 -14.3 38.1 -2.5 19 75 A V E -BC 8 30A 0 -11,-3.4 -11,-2.6 -2,-0.5 2,-0.5 -0.955 17.5-159.9-120.5 139.7 -13.0 34.5 -2.9 20 76 A A E -BC 7 29A 0 9,-2.7 9,-1.9 -2,-0.4 2,-0.5 -0.995 16.4-162.4-113.6 125.7 -10.3 32.6 -1.0 21 77 A V E -BC 6 28A 10 -15,-3.1 -15,-2.8 -2,-0.5 2,-0.8 -0.926 19.2-137.3-111.9 127.2 -9.0 29.6 -2.9 22 78 A H E >>> -BC 5 27A 0 5,-3.1 4,-2.8 -2,-0.5 3,-0.8 -0.804 25.3-149.3 -78.2 110.1 -7.1 26.8 -1.3 23 79 A V T 345S+ 0 0 83 -19,-1.8 -1,-0.2 -2,-0.8 -18,-0.1 0.866 86.0 48.2 -63.8 -44.7 -4.5 26.5 -4.0 24 80 A A T 345S+ 0 0 55 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.741 126.1 26.9 -63.9 -31.4 -3.6 22.8 -3.8 25 81 A S T <45S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.674 92.8-127.3-104.9 -25.5 -7.3 21.6 -3.8 26 82 A G T <5 + 0 0 22 -4,-2.8 -3,-0.1 1,-0.3 111,-0.1 0.496 58.0 148.2 81.6 6.0 -9.3 24.3 -5.6 27 83 A Y E < -C 22 0A 3 -5,-0.5 -5,-3.1 110,-0.3 2,-0.3 -0.454 27.8-165.2 -73.1 143.4 -11.7 24.5 -2.5 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.913 27.0-164.5-129.2 160.4 -13.1 28.0 -2.0 29 85 A E E +C 20 0A 7 -9,-1.9 -9,-2.7 -2,-0.3 2,-0.3 -0.968 25.9 177.9-127.4 153.6 -14.9 30.2 0.5 30 86 A A E -C 19 0A 1 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.978 14.1-171.5-155.2 160.6 -16.6 33.4 -0.8 31 87 A E E -C 18 0A 23 -13,-2.0 -13,-2.6 -2,-0.3 2,-0.5 -0.973 25.0-123.1-147.9 150.6 -18.6 36.3 0.3 32 88 A V E +C 17 0A 33 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.882 34.8 175.9 -91.4 132.3 -20.5 39.3 -1.3 33 89 A I E -C 16 0A 12 -17,-2.5 -17,-1.6 -2,-0.5 3,-0.1 -0.944 39.7-122.4-131.2 156.0 -19.3 42.7 0.0 34 90 A P S S- 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.914 94.1 -8.4 -63.6 -31.6 -20.4 46.2 -1.1 35 91 A A S S- 0 0 48 -20,-0.1 2,-0.9 -19,-0.1 5,-0.1 -0.975 76.8-103.1-161.5 144.0 -16.7 47.2 -2.0 36 92 A E + 0 0 52 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.689 55.5 158.8 -79.8 105.7 -13.3 45.6 -1.4 37 93 A T > - 0 0 64 -2,-0.9 4,-2.2 1,-0.1 5,-0.2 -0.766 54.8-108.4-116.3 165.4 -11.9 47.6 1.5 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.919 119.4 53.4 -54.1 -48.9 -9.1 46.6 3.9 39 95 A Q H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.890 111.4 44.9 -59.5 -45.2 -11.7 46.2 6.8 40 96 A E H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 115.1 47.1 -63.2 -46.8 -13.8 43.8 4.7 41 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.905 112.8 50.8 -62.1 -40.5 -10.7 41.8 3.5 42 98 A A H X S+ 0 0 10 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.912 111.4 46.7 -60.1 -48.8 -9.4 41.7 7.1 43 99 A Y H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.2 52.3 -64.1 -41.8 -12.7 40.4 8.5 44 100 A F H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.885 111.0 46.9 -62.0 -40.6 -13.0 37.8 5.7 45 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.889 108.7 55.6 -69.3 -41.4 -9.4 36.4 6.4 46 102 A L H X S+ 0 0 9 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.928 111.2 44.4 -53.9 -47.4 -10.2 36.3 10.1 47 103 A K H X S+ 0 0 19 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.944 112.9 50.7 -61.9 -48.5 -13.2 34.1 9.4 48 104 A L H >X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 3,-1.0 0.918 110.7 49.0 -53.4 -47.1 -11.3 31.9 6.9 49 105 A A H 3< S+ 0 0 1 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.723 105.9 56.1 -72.4 -19.6 -8.4 31.4 9.4 50 106 A G H 3< S+ 0 0 2 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.707 115.8 40.4 -80.7 -16.6 -10.8 30.4 12.2 51 107 A R H << S+ 0 0 10 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.1 0.708 124.3 20.5-103.2 -30.0 -12.2 27.7 9.9 52 108 A W S < S- 0 0 7 -4,-2.0 2,-1.6 -5,-0.1 -1,-0.2 -0.942 89.4 -96.5-139.1 158.7 -9.1 26.2 8.1 53 109 A P - 0 0 37 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.608 48.0-173.3 -85.5 86.9 -5.4 26.3 9.0 54 110 A V + 0 0 3 -2,-1.6 -50,-0.1 -5,-0.3 3,-0.1 -0.736 16.9 162.3 -88.0 109.4 -4.4 29.3 6.8 55 111 A K + 0 0 107 -52,-1.9 25,-3.1 -2,-0.7 2,-0.4 0.817 64.9 18.8 -97.8 -36.5 -0.6 29.7 6.9 56 112 A T E -ad 4 80A 15 -53,-2.2 -51,-2.4 23,-0.2 2,-0.5 -0.998 61.7-163.1-139.0 134.9 0.0 31.9 3.9 57 113 A V E -ad 5 81A 0 23,-2.6 25,-3.2 -2,-0.4 2,-0.8 -0.986 12.8-149.1-119.3 127.0 -2.2 34.1 1.9 58 114 A H E -ad 6 82A 46 -53,-2.7 -51,-3.1 -2,-0.5 25,-0.2 -0.829 30.5-135.5 -83.4 111.4 -1.4 35.4 -1.5 59 115 A T - 0 0 1 23,-2.6 3,-0.1 -2,-0.8 6,-0.0 -0.310 5.2-129.7 -72.8 157.3 -3.2 38.8 -1.5 60 116 A D S S- 0 0 41 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.600 79.3 -0.7 -88.8 -15.9 -5.2 39.7 -4.5 61 117 A N S > S- 0 0 60 -53,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.978 75.6 -97.6-162.7 170.1 -3.8 43.2 -5.1 62 118 A G H > S+ 0 0 48 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.787 114.9 61.0 -74.1 -20.1 -1.4 45.8 -3.7 63 119 A S H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 110.9 39.8 -68.9 -48.0 -4.0 47.7 -1.8 64 120 A N H 4 S+ 0 0 5 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.2 55.0 -67.2 -32.6 -4.9 44.7 0.3 65 121 A F H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.9 36.2 -61.5 -42.0 -1.1 43.8 0.5 66 122 A T H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.816 88.8 119.9 -78.7 -29.1 -0.4 47.3 1.9 67 123 A S X - 0 0 22 -4,-2.1 4,-2.4 -5,-0.1 5,-0.1 0.016 55.8-148.6 -55.1 130.8 -3.6 47.7 4.0 68 124 A T H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 100.2 51.1 -63.9 -40.5 -2.9 48.3 7.7 69 125 A T H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 109.5 48.9 -67.9 -37.8 -6.1 46.5 8.6 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 111.8 49.7 -64.4 -45.5 -5.3 43.5 6.5 71 127 A K H X S+ 0 0 92 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.891 109.4 52.1 -62.1 -37.3 -1.8 43.2 8.0 72 128 A A H X S+ 0 0 52 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.896 111.0 47.0 -64.4 -42.6 -3.3 43.5 11.5 73 129 A A H X S+ 0 0 14 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.929 113.0 49.5 -68.4 -39.0 -5.8 40.6 10.8 74 130 A C H X>S+ 0 0 4 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.937 113.0 46.5 -66.9 -44.2 -3.0 38.5 9.3 75 131 A W H ><5S+ 0 0 194 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.966 114.4 48.3 -57.5 -48.3 -0.8 39.2 12.4 76 132 A W H 3<5S+ 0 0 48 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.939 116.7 41.5 -59.3 -46.4 -3.8 38.4 14.7 77 133 A A H 3<5S- 0 0 6 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.401 113.2-112.7 -87.2 4.0 -4.6 35.1 12.9 78 134 A G T <<5 + 0 0 53 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.865 64.8 149.7 74.6 30.3 -1.0 33.9 12.4 79 135 A I < - 0 0 12 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.875 46.8-136.1-104.6 132.5 -1.0 34.3 8.6 80 136 A K E -d 56 0A 130 -25,-3.1 -23,-2.6 -2,-0.4 2,-0.5 -0.784 23.7-145.3 -85.1 117.3 2.0 35.2 6.5 81 137 A Q E +d 57 0A 32 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.725 25.5 175.5 -85.8 123.5 0.7 37.8 4.0 82 138 A E E -d 58 0A 46 -25,-3.2 -23,-2.6 -2,-0.5 2,-0.1 -0.812 34.6-100.1-121.1 167.6 2.4 37.4 0.6 83 139 A D - 0 0 45 -2,-0.3 -23,-0.1 -25,-0.2 -1,-0.1 -0.359 25.7-134.2 -77.2 172.3 2.0 39.2 -2.7 84 140 A G + 0 0 26 -26,-0.2 -26,-0.1 -2,-0.1 -1,-0.1 -0.109 46.8 150.6-119.1 33.1 -0.1 37.3 -5.4 85 141 A I - 0 0 93 1,-0.1 2,-2.1 -24,-0.0 3,-0.2 -0.593 52.4-125.6 -71.1 125.2 2.2 37.9 -8.3 86 142 A P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.528 37.5 170.2 -72.8 79.9 1.8 35.0 -10.7 87 143 A Y S S+ 0 0 179 -2,-2.1 3,-0.0 1,-0.2 -2,-0.0 0.691 82.7 52.5 -61.8 -20.3 5.5 34.0 -10.9 88 144 A N S > S- 0 0 90 -3,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.996 87.0-153.2-107.9 120.5 3.9 31.1 -12.6 89 145 A P T 3> S+ 0 0 88 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.744 90.0 66.9 -70.6 -24.4 1.7 32.6 -15.4 90 146 A Q H 3> S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.738 87.8 72.3 -64.7 -25.1 -0.8 29.6 -15.5 91 147 A S H <> S+ 0 0 57 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.912 97.7 45.8 -52.0 -51.2 -1.8 30.7 -11.9 92 148 A Q H > S+ 0 0 118 -3,-0.5 4,-2.6 -4,-0.5 -1,-0.2 0.833 110.5 53.3 -64.4 -35.8 -3.7 33.8 -13.2 93 149 A G H X S+ 0 0 30 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.843 107.2 52.6 -67.1 -38.4 -5.4 31.7 -16.0 94 150 A V H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.895 110.5 47.3 -62.5 -40.8 -6.6 29.3 -13.4 95 151 A I H X S+ 0 0 32 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.949 110.6 51.5 -69.6 -42.6 -8.1 32.1 -11.3 96 152 A E H X S+ 0 0 143 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 110.2 49.5 -56.8 -47.1 -9.8 33.7 -14.4 97 153 A S H X S+ 0 0 74 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.869 110.2 50.5 -57.6 -42.9 -11.4 30.3 -15.3 98 154 A M H X S+ 0 0 16 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.954 108.4 52.0 -67.4 -39.9 -12.7 29.9 -11.8 99 155 A N H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.937 113.1 45.3 -61.1 -43.2 -14.2 33.4 -11.8 100 156 A K H X S+ 0 0 163 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.928 113.6 49.1 -62.6 -44.0 -16.0 32.5 -15.1 101 157 A E H X S+ 0 0 51 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.970 113.4 48.6 -58.5 -49.8 -17.1 29.0 -13.7 102 158 A L H X S+ 0 0 9 -4,-3.5 4,-3.0 1,-0.2 -2,-0.2 0.928 111.0 48.3 -58.9 -41.4 -18.4 30.7 -10.6 103 159 A K H X S+ 0 0 72 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.863 109.2 54.4 -68.6 -32.4 -20.3 33.3 -12.5 104 160 A K H X S+ 0 0 141 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 110.7 45.5 -62.6 -50.7 -21.8 30.6 -14.7 105 161 A I H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.927 108.9 55.4 -62.6 -42.6 -23.1 28.7 -11.7 106 162 A I H >< S+ 0 0 5 -4,-3.0 3,-0.7 -5,-0.2 4,-0.4 0.914 108.1 50.1 -55.9 -44.0 -24.4 31.9 -10.2 107 163 A G H >< S+ 0 0 46 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.902 106.6 55.1 -55.0 -43.6 -26.3 32.4 -13.5 108 164 A Q H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.696 110.3 45.3 -66.5 -21.1 -27.7 28.9 -13.3 109 165 A V T XX S+ 0 0 4 -4,-1.3 4,-0.7 -3,-0.7 3,-0.7 0.354 82.0 102.9-106.3 7.7 -29.2 29.5 -9.7 110 166 A R T <4 S+ 0 0 69 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.1 0.787 73.1 58.7 -64.4 -26.6 -30.7 32.9 -10.4 111 167 A D T 34 S+ 0 0 138 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.983 112.0 46.4 -59.0 -34.1 -34.2 31.7 -10.7 112 168 A Q T <4 S+ 0 0 92 -3,-0.7 2,-0.5 -4,-0.1 -2,-0.2 0.465 100.6 62.8 -93.2 -12.4 -33.7 30.3 -7.1 113 169 A A < - 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0 0 52 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.582 46.2-171.4 -84.7 85.9 -20.1 17.8 4.2 206 110 B V + 0 0 9 -2,-1.7 -50,-0.2 -5,-0.3 3,-0.1 -0.710 18.0 162.9 -81.3 111.7 -23.1 18.4 6.4 207 111 B K + 0 0 71 -52,-2.1 25,-2.9 -2,-0.6 2,-0.4 0.800 66.0 19.6-100.4 -36.7 -25.4 15.3 6.4 208 112 B T E -fi 156 232C 17 -53,-2.3 -51,-2.6 23,-0.2 2,-0.5 -0.991 60.7-163.6-139.2 136.2 -27.5 15.9 9.4 209 113 B V E -fi 157 233C 1 23,-2.5 25,-3.2 -2,-0.4 2,-0.8 -0.982 11.9-151.1-120.7 124.2 -28.4 19.0 11.4 210 114 B H E -fi 158 234C 41 -53,-2.7 -51,-2.9 -2,-0.5 25,-0.2 -0.803 30.5-139.1 -82.7 105.6 -30.0 19.0 14.9 211 115 B T - 0 0 1 23,-2.4 3,-0.1 -2,-0.8 6,-0.0 -0.321 5.9-127.7 -71.4 158.9 -31.9 22.2 14.7 212 116 B D S S+ 0 0 38 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.664 78.6 0.3 -89.1 -16.5 -31.8 24.4 17.8 213 117 B N S > S- 0 0 61 -53,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.958 75.1 -99.0-163.5 172.4 -35.6 24.9 18.4 214 118 B G H > S+ 0 0 45 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.732 113.5 62.7 -78.3 -20.2 -38.9 24.1 17.0 215 119 B S H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 111.0 39.0 -70.4 -47.4 -39.4 27.3 15.1 216 120 B N H 4 S+ 0 0 4 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 113.9 55.4 -68.4 -30.8 -36.3 26.6 12.9 217 121 B F H < S+ 0 0 71 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.5 37.2 -64.9 -38.3 -37.3 22.9 12.8 218 122 B T H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.823 88.9 119.4 -79.1 -33.9 -40.7 24.0 11.4 219 123 B S X - 0 0 21 -4,-2.1 4,-2.4 1,-0.1 5,-0.1 -0.024 56.6-147.6 -46.7 124.9 -39.6 27.0 9.3 220 124 B T H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.896 100.3 51.1 -54.7 -47.1 -40.4 26.6 5.6 221 125 B T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 109.8 48.4 -63.3 -40.7 -37.2 28.6 4.7 222 126 B V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.944 112.0 49.9 -65.7 -43.5 -35.0 26.3 6.8 223 127 B K H X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.877 109.2 52.2 -63.2 -37.7 -36.5 23.3 5.3 224 128 B A H X S+ 0 0 52 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.920 110.4 47.6 -64.9 -42.3 -36.0 24.7 1.8 225 129 B A H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 6,-0.2 0.919 111.7 50.3 -64.7 -40.1 -32.3 25.3 2.5 226 130 B C H X>S+ 0 0 3 -4,-2.6 5,-2.8 2,-0.2 4,-0.5 0.923 112.1 47.1 -63.8 -41.0 -31.9 21.8 4.0 227 131 B W H ><5S+ 0 0 194 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.966 113.8 49.8 -62.5 -48.6 -33.5 20.3 0.9 228 132 B W H 3<5S+ 0 0 50 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.949 116.0 39.7 -53.5 -47.9 -31.3 22.5 -1.4 229 133 B A H 3<5S- 0 0 7 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.344 113.5-111.4 -91.6 6.9 -28.0 21.5 0.4 230 134 B G T <<5 + 0 0 61 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.836 65.3 150.7 76.7 27.2 -28.9 17.8 0.9 231 135 B I < - 0 0 13 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.845 46.3-136.2-103.0 133.4 -29.2 18.1 4.7 232 136 B K E -i 208 0C 127 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.6 -0.756 23.4-145.4 -82.8 115.9 -31.4 15.9 6.8 233 137 B Q E +i 209 0C 31 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.739 25.6 175.4 -84.1 119.6 -33.1 18.3 9.2 234 138 B E E -i 210 0C 48 -25,-3.2 -23,-2.4 -2,-0.6 2,-0.1 -0.776 34.4 -99.5-114.2 168.5 -33.6 16.6 12.7 235 139 B D - 0 0 56 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.272 26.4-133.6 -75.8 176.1 -34.9 17.9 16.0 236 140 B G + 0 0 28 -26,-0.2 -26,-0.1 2,-0.1 -1,-0.1 -0.030 48.1 147.8-124.4 30.0 -32.3 18.8 18.6 237 141 B I - 0 0 84 1,-0.1 2,-2.1 -24,-0.0 3,-0.2 -0.560 52.1-128.0 -75.4 127.8 -33.9 17.1 21.6 238 142 B P + 0 0 36 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.534 37.9 166.6 -75.8 77.6 -31.2 15.9 24.0 239 143 B Y S S+ 0 0 185 -2,-2.1 -2,-0.0 1,-0.2 -3,-0.0 0.796 82.4 58.4 -58.0 -27.3 -32.4 12.2 24.3 240 144 B N S > S- 0 0 96 -3,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.944 86.8-156.4 -98.1 111.3 -28.9 12.2 25.8 241 145 B P T >> S+ 0 0 84 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.788 86.5 67.1 -63.1 -34.6 -29.1 14.7 28.7 242 146 B Q H 3> S+ 0 0 161 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.640 87.7 73.8 -61.1 -15.5 -25.3 15.5 28.8 243 147 B S H <> S+ 0 0 53 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.937 92.1 52.0 -58.3 -53.2 -25.8 17.1 25.4 244 148 B Q H <> S+ 0 0 107 -3,-0.8 4,-2.8 -4,-0.4 -1,-0.2 0.903 110.9 48.0 -46.5 -53.4 -27.6 20.1 26.9 245 149 B G H X S+ 0 0 26 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.850 107.7 53.9 -63.8 -42.4 -24.7 20.7 29.4 246 150 B V H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.948 113.0 43.9 -55.3 -48.7 -22.0 20.4 26.7 247 151 B I H X S+ 0 0 35 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 112.2 51.6 -66.9 -44.8 -23.7 23.1 24.6 248 152 B E H X S+ 0 0 128 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.926 110.2 51.0 -54.7 -46.6 -24.3 25.3 27.7 249 153 B S H X S+ 0 0 67 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.871 109.3 49.6 -60.7 -38.9 -20.6 25.0 28.6 250 154 B M H X S+ 0 0 15 -4,-2.0 4,-4.0 2,-0.2 5,-0.3 0.953 108.4 53.3 -67.8 -40.3 -19.5 26.0 25.0 251 155 B N H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 112.1 44.6 -59.5 -44.7 -21.8 29.0 25.1 252 156 B K H X S+ 0 0 131 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.931 115.0 48.2 -66.1 -42.2 -20.2 30.1 28.4 253 157 B E H X S+ 0 0 55 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 111.8 49.7 -62.6 -43.8 -16.7 29.4 27.1 254 158 B L H X S+ 0 0 8 -4,-4.0 4,-3.3 2,-0.2 -1,-0.2 0.939 111.5 48.7 -59.9 -42.9 -17.4 31.3 23.8 255 159 B K H X S+ 0 0 73 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.880 108.8 54.3 -68.8 -32.7 -18.7 34.3 25.8 256 160 B K H X S+ 0 0 141 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.914 109.8 45.8 -59.1 -46.8 -15.6 34.1 28.0 257 161 B I H X S+ 0 0 11 -4,-2.2 4,-1.5 1,-0.2 5,-0.3 0.945 110.2 55.5 -67.9 -43.4 -13.3 34.3 24.9 258 162 B I H >X S+ 0 0 4 -4,-3.3 4,-1.1 1,-0.2 3,-0.6 0.931 107.0 48.4 -53.8 -45.7 -15.5 37.1 23.6 259 163 B G H 3< S+ 0 0 52 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.906 108.4 56.4 -59.4 -35.4 -14.9 39.1 26.8 260 164 B Q H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.746 121.7 25.7 -67.3 -26.8 -11.1 38.4 26.5 261 165 B V H XX S+ 0 0 4 -4,-1.5 3,-2.8 -3,-0.6 4,-0.8 0.428 89.3 107.4-111.0 -2.4 -10.9 39.9 23.0 262 166 B R G >< S+ 0 0 58 -4,-1.1 3,-0.7 -3,-0.4 -2,-0.1 0.803 79.8 51.6 -61.4 -31.7 -13.8 42.2 23.2 263 167 B D G 34 S+ 0 0 139 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.617 102.6 57.7 -75.3 -17.1 -11.6 45.2 23.5 264 168 B Q G <4 S+ 0 0 101 -3,-2.8 2,-0.5 1,-0.1 -1,-0.2 0.552 103.6 65.4 -80.8 -13.6 -9.5 44.3 20.4 265 169 B A << - 0 0 8 -4,-0.8 -1,-0.1 -3,-0.7 6,-0.0 -0.954 61.5-163.4-117.2 125.7 -12.7 44.3 18.3 266 170 B E S S+ 0 0 169 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.848 83.5 45.6 -68.7 -35.4 -14.8 47.4 17.6 267 171 B H S > S- 0 0 108 1,-0.1 4,-1.4 0, 0.0 3,-0.5 -0.861 81.0-128.1-115.1 142.3 -17.7 45.2 16.5 268 172 B L H > S+ 0 0 8 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.857 107.5 63.3 -49.4 -45.6 -19.2 42.1 18.2 269 173 B K H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 103.1 49.3 -54.8 -38.8 -18.9 40.1 14.9 270 174 B T H > S+ 0 0 33 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.934 110.7 49.1 -59.5 -49.0 -15.1 40.5 14.9 271 175 B A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.881 110.9 51.3 -61.0 -39.2 -14.9 39.3 18.6 272 176 B V H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.926 109.9 47.5 -70.0 -38.5 -17.1 36.3 17.7 273 177 B Q H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.816 111.8 51.7 -67.9 -35.6 -14.9 35.3 14.7 274 178 B M H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.887 110.0 50.2 -59.0 -45.3 -11.8 35.7 17.0 275 179 B A H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.904 108.4 50.8 -63.2 -35.4 -13.6 33.5 19.5 276 180 B V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.944 112.2 49.5 -67.3 -43.1 -14.3 30.8 16.7 277 181 B F H X S+ 0 0 30 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.965 113.3 42.8 -59.1 -53.6 -10.6 31.0 15.8 278 182 B I H X S+ 0 0 53 -4,-2.7 4,-1.5 1,-0.2 3,-0.2 0.933 116.4 50.6 -63.2 -42.8 -9.4 30.5 19.4 279 183 B H H < S+ 0 0 24 -4,-3.0 10,-0.4 1,-0.2 3,-0.3 0.931 112.9 44.4 -58.9 -46.2 -12.0 27.8 20.0 280 184 B N H < S+ 0 0 3 -4,-3.0 10,-2.2 1,-0.2 11,-0.4 0.743 118.0 43.1 -73.3 -22.8 -11.1 25.8 16.9 281 185 B H H < S+ 0 0 64 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.594 83.4 117.5 -97.8 -15.4 -7.3 26.0 17.4 282 186 B K < - 0 0 134 -4,-1.5 7,-0.5 -3,-0.3 2,-0.3 -0.328 62.1-135.6 -55.7 125.9 -7.3 25.3 21.2 283 187 B R B J 288 0D 157 5,-0.2 5,-0.2 -2,-0.1 4,-0.2 -0.668 360.0 360.0 -85.0 135.7 -5.4 22.1 22.0 284 188 B K 0 0 188 3,-1.8 3,-0.4 -2,-0.3 -2,-0.0 -0.943 360.0 360.0-118.8 360.0 -7.1 19.8 24.5 285 ! 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 0.0 286 193 B G 0 0 86 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.6 -3.2 16.6 22.2 287 194 B Y - 0 0 91 -3,-0.4 -3,-1.8 -4,-0.2 2,-0.2 -0.473 360.0-131.2 -92.1 149.2 -5.5 17.6 19.2 288 195 B S B > -J 283 0D 8 -5,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.521 30.5-111.0 -84.3 164.6 -7.6 20.8 18.4 289 196 B A H > S+ 0 0 1 -7,-0.5 4,-2.3 -10,-0.4 -110,-0.3 0.865 121.3 55.7 -58.0 -41.7 -11.2 20.7 17.3 290 197 B G H > S+ 0 0 20 -10,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.918 111.0 45.4 -60.4 -40.9 -9.9 21.9 13.8 291 198 B E H > S+ 0 0 34 -11,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.909 112.0 50.3 -67.0 -40.9 -7.6 18.9 13.7 292 199 B R H X S+ 0 0 62 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.894 108.7 50.7 -66.8 -40.8 -10.2 16.4 14.9 293 200 B I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.954 112.4 46.8 -62.8 -45.2 -12.9 17.5 12.3 294 201 B V H X S+ 0 0 4 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.948 115.0 47.2 -55.9 -52.7 -10.3 17.2 9.5 295 202 B D H X S+ 0 0 57 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.898 113.1 49.5 -52.6 -50.3 -9.2 13.7 10.9 296 203 B I H X S+ 0 0 40 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.942 116.2 39.9 -62.5 -43.1 -12.8 12.5 11.3 297 204 B I H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.903 113.6 53.3 -78.9 -37.4 -13.9 13.4 7.8 298 205 B A H X S+ 0 0 3 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.934 108.9 50.7 -60.6 -42.2 -10.7 12.3 6.1 299 206 B T H < S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 109.7 51.9 -61.2 -40.4 -11.1 8.9 7.8 300 207 B D H < S+ 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.837 107.0 51.0 -64.0 -36.7 -14.6 8.8 6.4 301 208 B I H < 0 0 45 -4,-2.1 -1,-0.2 -3,-0.1 -2,-0.2 0.923 360.0 360.0 -66.4 -39.2 -13.5 9.6 2.8 302 209 B Q < 0 0 134 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.388 360.0 360.0 -96.3 360.0 -10.9 6.7 2.9