==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-11 3ZSV . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.S.PEAT,J.NEWMAN,D.I.RHODES,N.VANDERGRAAFF,G.LE,E.D.JONES,J . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 75.2 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 . 34 11.4 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 43.6 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 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 . 1 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,-1.3 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -43.6 -15.5 7.3 1.0 2 58 A P T 3 + 0 0 33 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.765 360.0 45.1 -59.6 -23.8 -15.2 10.4 3.2 3 59 A G T 3 S+ 0 0 7 51,-0.1 53,-2.4 49,-0.0 52,-1.8 0.277 87.5 112.5-101.6 8.9 -12.1 8.9 4.8 4 60 A I E < +a 56 0A 46 -3,-1.3 19,-1.4 51,-0.2 20,-0.4 -0.751 38.0 172.7 -94.2 125.9 -10.3 7.6 1.7 5 61 A W E -aB 57 22A 0 51,-2.5 53,-2.8 -2,-0.5 2,-0.4 -0.925 18.4-148.9-126.4 155.4 -7.0 9.1 0.6 6 62 A Q E -aB 58 21A 30 15,-2.7 15,-3.0 -2,-0.3 2,-0.2 -0.986 12.2-138.5-127.1 130.7 -4.5 8.2 -2.1 7 63 A L E - B 0 20A 1 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.561 22.1-178.3 -85.4 152.7 -0.7 8.8 -2.0 8 64 A D E - B 0 19A 8 11,-2.1 11,-3.4 -2,-0.2 2,-0.5 -0.978 11.9-159.6-154.8 133.6 1.1 10.0 -5.1 9 65 A C E + B 0 18A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 16.7 170.2-122.3 127.0 4.8 10.7 -5.7 10 66 A T E - B 0 17A 9 7,-2.6 7,-3.4 -2,-0.5 2,-0.4 -0.889 22.3-128.8-131.5 167.1 6.0 13.0 -8.5 11 67 A H E + B 0 16A 113 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.922 28.0 156.6-126.2 141.6 9.4 14.5 -9.3 12 68 A L E > + B 0 15A 47 3,-2.2 3,-2.3 -2,-0.4 -2,-0.0 -0.938 68.6 3.1-158.7 138.6 10.7 18.0 -10.1 13 69 A E T 3 S- 0 0 92 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.813 127.0 -60.5 57.6 32.5 14.1 19.7 -10.0 14 70 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.645 119.2 105.7 67.1 17.0 15.7 16.5 -8.8 15 71 A K E < -B 12 0A 87 -3,-2.3 -3,-2.2 20,-0.0 2,-0.4 -0.746 69.8-117.3-122.0 168.9 13.4 16.5 -5.8 16 72 A V E -BC 11 33A 10 17,-2.1 17,-2.6 -2,-0.2 2,-0.6 -0.901 14.4-157.9-112.2 134.2 10.4 14.4 -4.8 17 73 A I E -BC 10 32A 0 -7,-3.4 -7,-2.6 -2,-0.4 2,-0.5 -0.973 10.8-158.6-111.3 118.2 6.9 15.9 -4.2 18 74 A L E -BC 9 31A 0 13,-2.7 13,-2.1 -2,-0.6 2,-0.4 -0.869 13.7-172.8 -99.5 128.0 4.8 13.7 -2.1 19 75 A V E -BC 8 30A 1 -11,-3.4 -11,-2.1 -2,-0.5 2,-0.5 -0.945 17.5-160.8-124.4 138.8 1.0 14.3 -2.4 20 76 A A E -BC 7 29A 0 9,-2.6 9,-1.9 -2,-0.4 2,-0.5 -0.995 15.8-162.0-115.5 127.9 -2.0 12.9 -0.6 21 77 A V E -BC 6 28A 17 -15,-3.0 -15,-2.7 -2,-0.5 2,-0.9 -0.935 19.4-136.2-112.3 130.5 -5.3 13.2 -2.4 22 78 A H E >> -B 5 0A 0 5,-2.9 4,-3.1 -2,-0.5 3,-0.8 -0.784 24.7-148.7 -80.5 110.9 -8.7 13.0 -0.8 23 79 A V T 34 S+ 0 0 81 -19,-1.4 -1,-0.2 -2,-0.9 -18,-0.1 0.866 87.2 48.2 -54.6 -51.2 -10.3 10.8 -3.4 24 80 A A T 34 S+ 0 0 44 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.734 126.9 24.8 -65.5 -28.7 -14.0 12.1 -3.2 25 81 A S T <4 S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.681 92.2-126.7-108.9 -27.5 -13.1 15.8 -3.3 26 82 A G < + 0 0 22 -4,-3.1 -3,-0.1 1,-0.3 111,-0.1 0.463 57.2 150.0 83.2 3.6 -9.7 16.1 -5.1 27 83 A Y - 0 0 2 -5,-0.5 -5,-2.9 110,-0.3 2,-0.3 -0.424 27.4-162.7 -64.2 145.0 -8.4 18.1 -2.1 28 84 A I E -C 21 0A 1 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.903 26.7-165.8-132.4 153.8 -4.6 17.7 -1.6 29 85 A E E +C 20 0A 10 -9,-1.9 -9,-2.6 -2,-0.3 2,-0.3 -0.966 25.4 176.9-122.8 152.7 -1.8 18.1 0.8 30 86 A A E -C 19 0A 1 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.993 14.8-172.4-152.2 158.5 1.8 17.9 -0.4 31 87 A E E -C 18 0A 20 -13,-2.1 -13,-2.7 -2,-0.3 2,-0.5 -0.985 25.3-123.1-147.2 151.1 5.4 18.3 0.7 32 88 A V E +C 17 0A 31 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.855 35.0 175.7 -92.6 133.6 8.8 18.4 -0.9 33 89 A I E -C 16 0A 5 -17,-2.6 -17,-2.1 -2,-0.5 3,-0.1 -0.929 40.1-120.0-133.3 157.2 11.3 15.7 0.4 34 90 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.894 94.1 -13.8 -64.6 -38.0 14.8 14.7 -0.7 35 91 A A S S- 0 0 47 -20,-0.1 2,-1.4 -19,-0.1 5,-0.1 -0.964 76.3 -98.8-161.3 156.7 13.8 11.2 -1.6 36 92 A E + 0 0 45 -2,-0.3 2,-0.1 -3,-0.1 -19,-0.0 -0.566 55.0 160.9 -91.2 82.1 10.7 8.9 -0.9 37 93 A T > - 0 0 67 -2,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.478 54.2-108.2 -94.1 166.0 11.8 6.8 2.1 38 94 A G H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 121.0 52.1 -57.1 -45.1 9.5 4.8 4.5 39 95 A Q H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 109.6 47.0 -60.3 -44.9 10.4 7.4 7.2 40 96 A E H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 115.7 46.0 -62.5 -43.2 9.4 10.4 5.0 41 97 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 112.2 50.7 -67.6 -42.8 6.2 8.7 4.0 42 98 A A H X S+ 0 0 10 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.923 111.6 47.7 -59.0 -46.0 5.4 7.6 7.5 43 99 A Y H X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 110.3 52.1 -64.0 -43.6 5.9 11.2 8.8 44 100 A F H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 110.5 47.9 -58.4 -44.7 3.8 12.7 6.1 45 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.889 108.3 54.8 -66.6 -37.9 0.9 10.3 6.9 46 102 A L H X S+ 0 0 11 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.932 111.0 45.8 -56.4 -48.0 1.2 11.1 10.6 47 103 A K H X S+ 0 0 41 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.953 113.6 48.8 -59.9 -50.4 0.8 14.8 9.8 48 104 A L H >X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-1.3 0.909 110.8 48.8 -56.1 -47.7 -2.1 14.2 7.4 49 105 A A H 3< S+ 0 0 2 -4,-2.9 5,-0.3 1,-0.3 -1,-0.2 0.731 106.5 56.7 -75.5 -19.6 -4.1 12.0 9.9 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.680 115.8 38.6 -75.5 -17.0 -3.6 14.5 12.7 51 107 A R H << S+ 0 0 19 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.702 124.1 24.5-106.7 -30.6 -5.3 17.1 10.4 52 108 A W S < S- 0 0 5 -4,-2.0 2,-1.9 -5,-0.1 -1,-0.2 -0.948 89.4 -97.5-136.7 154.5 -8.1 15.2 8.6 53 109 A P - 0 0 61 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.525 47.0-172.5 -79.3 82.5 -10.0 12.0 9.5 54 110 A V + 0 0 10 -2,-1.9 -50,-0.1 -5,-0.3 3,-0.1 -0.675 18.2 163.2 -82.8 107.9 -7.9 9.6 7.4 55 111 A K + 0 0 139 -52,-1.8 25,-2.8 -2,-0.8 2,-0.4 0.843 67.2 13.9 -89.5 -41.3 -9.6 6.1 7.5 56 112 A T E -ad 4 80A 8 -53,-2.4 -51,-2.5 23,-0.2 2,-0.5 -0.999 59.2-162.6-141.0 137.4 -7.8 4.5 4.5 57 113 A V E -ad 5 81A 0 23,-2.4 25,-2.8 -2,-0.4 2,-0.7 -0.989 11.7-150.3-123.1 123.6 -4.7 5.3 2.5 58 114 A H E -ad 6 82A 44 -53,-2.8 -51,-2.9 -2,-0.5 25,-0.2 -0.834 30.9-131.9 -83.5 113.7 -4.0 3.7 -0.9 59 115 A T - 0 0 1 23,-2.6 3,-0.1 -2,-0.7 6,-0.0 -0.325 4.6-128.8 -71.2 156.6 -0.2 3.7 -1.0 60 116 A D S S- 0 0 38 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.670 80.4 -1.7 -82.6 -21.1 1.6 5.0 -4.1 61 117 A N S > S- 0 0 59 -53,-0.1 4,-1.7 1,-0.0 5,-0.1 -0.964 76.2 -94.8-160.2 175.5 3.9 2.0 -4.6 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.774 116.2 60.2 -73.1 -27.5 4.9 -1.4 -3.3 63 119 A S H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 109.7 42.0 -66.8 -45.3 7.8 -0.1 -1.3 64 120 A N H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 113.8 53.4 -68.9 -30.9 5.6 2.2 0.8 65 121 A F H < S+ 0 0 72 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 115.6 40.1 -65.4 -40.0 3.1 -0.6 1.0 66 122 A T H < S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.856 86.9 115.3 -77.5 -35.1 5.8 -3.0 2.3 67 123 A S X - 0 0 20 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 -0.022 54.4-154.9 -49.3 122.8 7.6 -0.5 4.6 68 124 A T H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.810 97.0 56.0 -69.3 -26.5 7.4 -1.5 8.3 69 125 A T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 109.4 45.4 -68.7 -42.1 7.9 2.2 9.2 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 112.8 49.9 -66.2 -44.3 4.9 3.1 7.1 71 127 A K H X S+ 0 0 85 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.894 110.3 52.4 -58.7 -39.2 2.8 0.3 8.5 72 128 A A H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.892 108.9 48.6 -64.5 -43.1 3.9 1.5 12.0 73 129 A A H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.914 111.6 49.7 -61.4 -43.4 2.7 5.0 11.2 74 130 A C H X>S+ 0 0 3 -4,-2.4 5,-2.8 2,-0.2 4,-0.6 0.925 111.5 49.0 -64.3 -41.6 -0.6 3.7 9.9 75 131 A W H ><5S+ 0 0 193 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.961 112.8 48.2 -56.9 -50.1 -1.0 1.6 13.1 76 132 A W H 3<5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.928 117.5 40.0 -58.6 -48.4 -0.2 4.6 15.3 77 133 A A H 3<5S- 0 0 5 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.369 112.2-114.3 -87.2 3.9 -2.6 6.9 13.5 78 134 A G T <<5 + 0 0 60 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.846 63.3 151.0 66.2 36.2 -5.4 4.3 13.0 79 135 A I < - 0 0 13 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.853 47.9-131.8-103.0 134.0 -5.2 4.2 9.3 80 136 A K E -d 56 0A 131 -25,-2.8 -23,-2.4 -2,-0.4 2,-0.5 -0.756 26.1-145.3 -80.5 114.1 -6.0 1.2 7.2 81 137 A Q E +d 57 0A 33 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.725 26.9 172.7 -86.0 125.1 -3.0 0.8 4.8 82 138 A E E -d 58 0A 57 -25,-2.8 -23,-2.6 -2,-0.5 2,-0.0 -0.807 33.2-100.8-127.7 166.0 -4.0 -0.5 1.4 83 139 A D - 0 0 52 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.235 23.5-133.5 -75.6 177.6 -2.4 -1.0 -2.0 84 140 A G + 0 0 31 -26,-0.2 -26,-0.1 -78,-0.1 -1,-0.1 0.017 44.6 153.2-123.9 25.2 -2.9 1.5 -4.8 85 141 A I - 0 0 91 1,-0.1 2,-2.2 2,-0.0 3,-0.3 -0.379 49.6-127.0 -59.3 124.7 -3.7 -1.0 -7.7 86 142 A P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.452 41.2 164.9 -78.4 69.8 -5.9 0.8 -10.2 87 143 A Y S S+ 0 0 180 -2,-2.2 3,-0.1 1,-0.2 -2,-0.0 0.820 78.8 53.2 -53.8 -33.5 -8.7 -1.8 -10.3 88 144 A N S > S- 0 0 89 -3,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.944 87.8-150.9 -97.3 112.7 -10.6 1.1 -12.0 89 145 A P T >> S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.757 89.5 74.2 -59.4 -22.7 -8.2 2.1 -14.8 90 146 A Q H 3> S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.757 82.3 72.6 -61.1 -22.6 -9.5 5.7 -14.7 91 147 A S H <> S+ 0 0 51 -3,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.890 93.3 50.4 -60.2 -46.0 -7.5 6.1 -11.4 92 148 A Q H <> S+ 0 0 98 -3,-0.8 4,-2.8 -4,-0.4 -1,-0.2 0.936 111.9 49.5 -54.6 -48.5 -4.1 6.2 -13.2 93 149 A G H X S+ 0 0 31 -4,-1.0 4,-2.8 1,-0.2 -2,-0.2 0.909 109.8 49.7 -59.2 -47.1 -5.4 8.8 -15.6 94 150 A V H X S+ 0 0 102 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.914 113.3 46.4 -58.6 -47.8 -6.8 11.0 -12.8 95 151 A I H X S+ 0 0 41 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 113.2 49.1 -60.8 -48.0 -3.4 10.8 -10.9 96 152 A E H X S+ 0 0 117 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.914 111.6 49.0 -59.3 -45.2 -1.4 11.6 -14.1 97 153 A S H X S+ 0 0 81 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.891 110.5 51.7 -62.2 -39.7 -3.7 14.5 -14.9 98 154 A M H X S+ 0 0 18 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.913 108.6 49.8 -66.0 -41.1 -3.3 15.8 -11.3 99 155 A N H X S+ 0 0 23 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.924 111.9 48.9 -62.6 -42.2 0.5 15.6 -11.5 100 156 A K H X S+ 0 0 165 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 113.0 46.9 -61.5 -46.7 0.5 17.5 -14.8 101 157 A E H X S+ 0 0 47 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 112.5 50.5 -60.0 -44.9 -1.8 20.2 -13.4 102 158 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.945 110.9 47.6 -62.8 -45.1 0.3 20.5 -10.3 103 159 A K H X S+ 0 0 75 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.866 109.9 54.7 -64.0 -33.4 3.5 20.9 -12.3 104 160 A K H X S+ 0 0 146 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.941 109.9 45.7 -60.8 -49.4 1.7 23.5 -14.4 105 161 A I H X S+ 0 0 8 -4,-2.4 4,-1.4 1,-0.2 5,-0.2 0.921 109.2 55.0 -63.7 -44.5 0.8 25.6 -11.4 106 162 A I H >X S+ 0 0 3 -4,-2.7 4,-1.4 1,-0.2 3,-0.5 0.916 108.1 50.0 -54.7 -43.7 4.3 25.2 -10.0 107 163 A G H 3< S+ 0 0 53 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.900 106.7 55.2 -59.1 -40.1 5.6 26.7 -13.3 108 164 A Q H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.754 122.0 27.8 -64.8 -26.2 3.2 29.6 -13.0 109 165 A V H X< S+ 0 0 4 -4,-1.4 3,-3.1 -3,-0.5 -1,-0.2 0.450 88.2 106.5-109.2 -6.0 4.5 30.5 -9.5 110 166 A R G >< S+ 0 0 57 -4,-1.4 3,-1.0 1,-0.3 -2,-0.1 0.802 78.4 53.0 -55.6 -34.4 8.0 29.3 -9.8 111 167 A D G 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.480 94.5 72.5 -77.6 -3.2 9.6 32.8 -10.0 112 168 A Q G < S+ 0 0 93 -3,-3.1 2,-0.3 1,-0.1 -1,-0.2 0.336 104.6 33.3 -91.7 6.5 7.7 34.0 -6.9 113 169 A A < - 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0 0 67 -2,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.466 53.9-108.4 -93.6 167.7 11.8 34.0 12.1 189 94 B G H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 121.1 51.5 -57.3 -45.0 9.6 36.0 9.6 190 95 B Q H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 110.1 47.2 -63.5 -43.6 10.4 33.5 6.9 191 96 B E H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 115.4 46.1 -62.0 -43.8 9.4 30.4 9.1 192 97 B T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 112.0 51.1 -67.2 -42.6 6.2 32.1 10.2 193 98 B A H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.927 111.0 47.8 -58.8 -46.6 5.4 33.1 6.6 194 99 B Y H X S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 110.5 52.3 -63.1 -42.8 5.9 29.6 5.3 195 100 B F H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 110.5 47.5 -59.9 -45.1 3.8 28.1 8.0 196 101 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.883 108.4 55.4 -66.8 -36.7 0.9 30.5 7.2 197 102 B L H X S+ 0 0 10 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.938 111.0 45.0 -57.6 -48.4 1.2 29.7 3.5 198 103 B K H X S+ 0 0 42 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.941 113.7 49.6 -60.1 -48.4 0.8 26.0 4.3 199 104 B L H >X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 3,-1.3 0.922 110.6 48.3 -57.9 -48.4 -2.1 26.6 6.7 200 105 B A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.727 106.5 57.2 -73.8 -19.3 -4.1 28.8 4.3 201 106 B G H 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.692 115.6 38.7 -75.2 -17.5 -3.6 26.3 1.5 202 107 B R H << S+ 0 0 20 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.705 124.0 24.2-106.0 -31.4 -5.3 23.7 3.7 203 108 B W S < S- 0 0 4 -4,-2.0 2,-1.8 -5,-0.1 -1,-0.2 -0.956 89.6 -97.0-136.0 154.1 -8.1 25.6 5.5 204 109 B P - 0 0 63 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.513 47.2-171.6 -77.8 84.0 -10.0 28.8 4.6 205 110 B V + 0 0 10 -2,-1.8 -50,-0.1 -5,-0.3 3,-0.1 -0.676 18.9 162.7 -84.8 107.5 -7.9 31.2 6.7 206 111 B K + 0 0 120 -52,-1.8 25,-2.8 -2,-0.8 2,-0.4 0.851 66.9 14.9 -88.6 -42.9 -9.6 34.7 6.7 207 112 B T E -fi 155 231C 9 -53,-2.2 -51,-2.7 23,-0.2 2,-0.5 -0.996 58.9-162.9-138.9 137.1 -7.8 36.3 9.6 208 113 B V E -fi 156 232C 1 23,-2.4 25,-2.8 -2,-0.4 2,-0.7 -0.990 11.1-151.4-120.9 122.8 -4.7 35.5 11.6 209 114 B H E -fi 157 233C 43 -53,-2.8 -51,-2.8 -2,-0.5 25,-0.2 -0.830 30.7-132.1 -83.5 114.2 -4.0 37.1 15.0 210 115 B T - 0 0 1 23,-2.8 3,-0.1 -2,-0.7 6,-0.0 -0.323 4.2-128.8 -71.8 157.5 -0.2 37.1 15.1 211 116 B D S S- 0 0 39 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.662 80.3 -2.1 -84.0 -19.3 1.6 35.8 18.2 212 117 B N S > S- 0 0 59 -53,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.969 76.0 -94.3-161.5 175.7 3.8 38.8 18.7 213 118 B G H > S+ 0 0 47 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.771 116.3 59.4 -71.0 -28.8 4.9 42.2 17.4 214 119 B S H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 110.0 42.1 -66.6 -46.7 7.8 40.9 15.4 215 120 B N H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 113.6 53.2 -67.8 -32.7 5.6 38.6 13.4 216 121 B F H < S+ 0 0 73 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.9 40.1 -64.3 -41.0 3.0 41.4 13.1 217 122 B T H < S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.844 86.7 115.0 -75.7 -36.3 5.8 43.8 11.8 218 123 B S X - 0 0 21 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.040 55.0-154.1 -48.8 123.3 7.6 41.3 9.5 219 124 B T H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.783 97.1 56.0 -71.2 -23.8 7.4 42.3 5.9 220 125 B T H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 109.2 45.4 -70.4 -44.6 7.9 38.6 4.9 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 113.0 50.4 -63.0 -45.3 4.9 37.6 7.1 222 127 B K H X S+ 0 0 85 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.893 110.3 51.2 -57.7 -41.4 2.9 40.6 5.6 223 128 B A H X S+ 0 0 51 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.896 109.5 48.8 -63.4 -42.4 3.8 39.3 2.1 224 129 B A H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.917 111.6 49.8 -63.4 -42.1 2.7 35.8 2.9 225 130 B C H X>S+ 0 0 3 -4,-2.5 5,-2.7 2,-0.2 4,-0.7 0.928 111.7 48.7 -62.8 -43.3 -0.6 37.1 4.2 226 131 B W H ><5S+ 0 0 193 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.960 112.6 48.7 -56.3 -50.4 -1.0 39.2 1.0 227 132 B W H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.934 117.3 39.8 -57.4 -49.1 -0.2 36.2 -1.1 228 133 B A H 3<5S- 0 0 7 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.381 112.4-113.4 -86.2 2.9 -2.7 33.9 0.6 229 134 B G T <<5 + 0 0 61 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.2 0.832 63.5 151.7 68.9 33.1 -5.5 36.5 1.1 230 135 B I < - 0 0 12 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.2 -0.839 47.4-132.3-100.4 132.5 -5.1 36.6 4.9 231 136 B K E -i 207 0C 123 -25,-2.8 -23,-2.4 -2,-0.4 2,-0.5 -0.754 25.9-145.9 -78.3 112.4 -6.0 39.6 7.0 232 137 B Q E +i 208 0C 37 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.727 26.7 172.0 -85.8 125.4 -3.0 40.0 9.3 233 138 B E E -i 209 0C 73 -25,-2.8 -23,-2.8 -2,-0.5 2,-0.0 -0.823 33.8-101.0-128.8 165.6 -4.0 41.3 12.7 234 139 B D - 0 0 50 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.198 23.6-133.9 -75.0 179.5 -2.4 41.8 16.1 235 140 B G + 0 0 31 -26,-0.2 -26,-0.1 -78,-0.1 -1,-0.1 -0.027 44.2 153.9-127.2 27.2 -3.0 39.4 19.0 236 141 B I - 0 0 90 1,-0.1 2,-2.0 -24,-0.0 3,-0.3 -0.403 49.0-127.0 -59.9 126.4 -3.7 41.8 21.8 237 142 B P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.500 41.6 164.0 -81.1 74.0 -5.9 40.0 24.3 238 143 B Y S S+ 0 0 182 -2,-2.0 3,-0.1 1,-0.2 -2,-0.0 0.833 78.2 54.4 -57.9 -34.2 -8.8 42.6 24.5 239 144 B N S > S- 0 0 88 -3,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.932 87.8-151.0 -94.2 112.9 -10.6 39.7 26.1 240 145 B P T >> S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.755 89.6 74.6 -62.0 -20.5 -8.3 38.8 28.9 241 146 B Q H 3> S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.765 81.8 73.8 -61.5 -22.1 -9.5 35.1 28.8 242 147 B S H <> S+ 0 0 48 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 93.0 49.3 -57.6 -47.4 -7.4 34.8 25.6 243 148 B Q H <> S+ 0 0 99 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.2 0.921 112.2 50.0 -58.0 -43.8 -4.0 34.7 27.4 244 149 B G H X S+ 0 0 33 -4,-1.0 4,-2.6 1,-0.2 -2,-0.2 0.904 108.8 51.0 -62.1 -45.0 -5.4 32.0 29.7 245 150 B V H X S+ 0 0 100 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 113.0 45.4 -59.5 -46.8 -6.7 29.9 26.9 246 151 B I H X S+ 0 0 44 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.928 112.7 50.5 -63.1 -48.5 -3.3 30.0 25.1 247 152 B E H X S+ 0 0 128 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 111.9 48.4 -55.6 -47.0 -1.4 29.3 28.3 248 153 B S H X S+ 0 0 69 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 110.8 50.8 -62.1 -40.6 -3.7 26.3 29.0 249 154 B M H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.917 109.1 50.4 -66.6 -41.3 -3.3 25.0 25.4 250 155 B N H X S+ 0 0 24 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 111.9 48.4 -61.0 -41.5 0.5 25.2 25.7 251 156 B K H X S+ 0 0 166 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 112.4 48.3 -63.5 -47.8 0.4 23.3 29.0 252 157 B E H X S+ 0 0 37 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.910 112.4 49.4 -55.9 -46.9 -1.9 20.6 27.5 253 158 B L H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.928 110.6 48.1 -63.7 -44.7 0.3 20.3 24.4 254 159 B K H X S+ 0 0 78 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.877 109.9 54.5 -63.8 -35.5 3.5 19.9 26.4 255 160 B K H X S+ 0 0 142 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.947 110.7 45.1 -59.2 -50.9 1.7 17.3 28.6 256 161 B I H X S+ 0 0 9 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.922 109.6 54.6 -61.8 -45.3 0.8 15.2 25.5 257 162 B I H >X S+ 0 0 5 -4,-2.8 4,-1.5 1,-0.2 3,-0.6 0.935 108.5 50.2 -54.3 -46.3 4.3 15.6 24.1 258 163 B G H 3< S+ 0 0 54 -4,-2.4 4,-0.4 1,-0.2 3,-0.2 0.901 107.0 54.8 -53.4 -43.3 5.6 14.2 27.4 259 164 B Q H 3< S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.760 122.0 27.9 -64.5 -27.8 3.2 11.3 27.1 260 165 B V H X< S+ 0 0 4 -4,-1.6 3,-3.1 -3,-0.6 -1,-0.2 0.466 88.4 106.5-107.9 -6.0 4.5 10.3 23.6 261 166 B R G >< S+ 0 0 59 -4,-1.5 3,-1.0 1,-0.3 -2,-0.1 0.791 78.5 52.5 -54.5 -35.4 8.0 11.6 23.9 262 167 B D G 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.510 94.9 72.9 -77.1 -5.0 9.6 8.0 24.2 263 168 B Q G < S+ 0 0 89 -3,-3.1 2,-0.3 1,-0.1 -1,-0.2 0.341 104.3 32.4 -90.8 5.5 7.7 6.9 21.0 264 169 B A < - 0 0 22 -3,-1.0 -1,-0.1 -4,-0.2 6,-0.0 -0.980 63.1-141.5-157.4 150.3 10.0 8.9 18.7 265 170 B E S S+ 0 0 162 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.884 87.4 62.5 -75.0 -44.0 13.6 10.1 18.5 266 171 B H S >> S- 0 0 88 1,-0.1 4,-1.5 4,-0.0 3,-0.6 -0.667 74.5-138.4 -98.5 137.3 12.8 13.5 17.1 267 172 B L H 3> S+ 0 0 6 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.881 102.7 64.0 -56.1 -41.8 10.7 16.2 18.7 268 173 B K H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 103.0 49.9 -51.9 -40.0 8.9 17.0 15.4 269 174 B T H <> S+ 0 0 33 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.936 110.6 48.1 -62.8 -49.1 7.4 13.5 15.5 270 175 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.890 109.9 53.4 -58.6 -41.4 6.2 13.8 19.0 271 176 B V H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.921 108.7 48.8 -62.9 -40.4 4.7 17.2 18.2 272 177 B Q H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.878 110.1 51.3 -70.1 -34.4 2.8 15.7 15.3 273 178 B M H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.910 109.9 51.2 -61.0 -42.2 1.5 12.9 17.5 274 179 B A H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.909 107.4 51.7 -62.2 -43.8 0.4 15.6 20.0 275 180 B V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -96,-0.2 0.924 111.3 49.1 -55.0 -45.5 -1.5 17.5 17.2 276 181 B F H X S+ 0 0 27 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.959 113.2 44.8 -62.6 -51.3 -3.2 14.2 16.3 277 182 B I H X S+ 0 0 54 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.934 114.7 48.9 -60.6 -45.4 -4.2 13.4 20.0 278 183 B H H < S+ 0 0 14 -4,-2.9 10,-0.5 1,-0.2 3,-0.3 0.925 113.6 45.5 -59.7 -48.3 -5.3 17.0 20.6 279 184 B N H < S+ 0 0 2 -4,-2.6 10,-2.3 1,-0.2 11,-0.4 0.768 117.4 43.6 -69.0 -26.6 -7.5 17.2 17.4 280 185 B H H < S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.607 85.0 115.7 -94.3 -15.7 -9.1 13.8 18.0 281 186 B K < - 0 0 103 -4,-1.5 7,-0.5 -3,-0.3 2,-0.4 -0.344 63.5-133.7 -62.3 125.4 -9.8 14.2 21.7 282 187 B R 0 0 159 5,-0.2 5,-0.2 -2,-0.2 4,-0.1 -0.697 360.0 360.0 -84.1 128.7 -13.5 14.2 22.6 283 188 B K 0 0 122 3,-1.9 3,-0.5 -2,-0.4 -1,-0.0 -0.897 360.0 360.0-111.7 360.0 -14.4 17.0 25.0 284 ! 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 0.000 360.0 360.0 360.0 113.5 -18.9 15.1 23.1 286 194 B Y - 0 0 136 -3,-0.5 -3,-1.9 -4,-0.1 2,-0.2 -0.560 360.0-122.9 -99.5 159.9 -17.2 16.2 19.8 287 195 B S > - 0 0 9 -5,-0.2 4,-2.6 -2,-0.2 -5,-0.2 -0.568 27.2-111.6 -94.7 166.4 -13.6 16.6 18.9 288 196 B A H > S+ 0 0 1 -7,-0.5 4,-2.6 -10,-0.5 -110,-0.3 0.878 120.9 55.6 -63.9 -36.6 -11.9 19.8 17.7 289 197 B G H > S+ 0 0 20 -10,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.912 109.8 45.5 -62.6 -42.6 -11.5 18.1 14.3 290 198 B E H > S+ 0 0 32 -11,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.936 112.2 51.7 -63.1 -44.9 -15.3 17.5 14.2 291 199 B R H X S+ 0 0 73 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.901 107.9 50.3 -62.2 -44.0 -16.0 21.1 15.3 292 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.941 112.6 46.2 -62.8 -44.3 -13.9 22.8 12.7 293 201 B V H X S+ 0 0 4 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.927 115.3 47.3 -62.2 -45.0 -15.4 20.8 9.8 294 202 B D H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 113.1 48.4 -63.6 -44.5 -18.9 21.5 11.2 295 203 B I H X S+ 0 0 45 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.950 116.0 42.6 -62.4 -49.3 -18.3 25.2 11.7 296 204 B I H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.900 113.5 51.8 -65.7 -39.2 -16.8 25.6 8.2 297 205 B A H X S+ 0 0 7 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.916 108.4 51.7 -65.2 -40.1 -19.5 23.5 6.5 298 206 B T H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.3 49.7 -61.5 -41.1 -22.2 25.5 8.2 299 207 B D H < S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.1 51.6 -63.2 -43.6 -20.6 28.7 6.9 300 208 B I H < 0 0 44 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.905 360.0 360.0 -59.5 -43.3 -20.3 27.3 3.3 301 209 B Q < 0 0 137 -4,-2.1 0, 0.0 -5,-0.1 0, 0.0 -0.413 360.0 360.0 -77.2 360.0 -24.0 26.3 3.2