==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/TRANSFERASE INHIBITOR 20-SEP-10 3AO2 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,D.K.CHALMERS,S.J.HEADEY,M.W.PARKER,M.J.SCANLON . 272 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 2 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 39.7 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 0 0 0 0 0 2 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 110 0, 0.0 3,-1.5 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 140.8 9.3 -26.2 12.7 2 58 A P T 3 + 0 0 32 0, 0.0 133,-0.1 0, 0.0 23,-0.1 0.602 360.0 49.1 -60.8 -22.9 7.7 -24.1 9.9 3 59 A G T 3 S+ 0 0 9 51,-0.1 52,-2.6 19,-0.0 53,-2.0 0.226 85.2 110.0-104.1 12.2 7.8 -20.7 11.5 4 60 A I E < +a 56 0A 39 -3,-1.5 19,-1.6 51,-0.2 20,-0.5 -0.812 39.9 173.7-100.0 125.0 11.5 -20.8 12.6 5 61 A W E -aB 57 22A 0 51,-2.4 53,-2.6 -2,-0.5 2,-0.4 -0.910 22.4-144.3-125.9 151.2 14.0 -18.5 10.8 6 62 A Q E -aB 58 21A 86 15,-2.5 15,-2.9 -2,-0.3 2,-0.5 -0.968 14.6-159.4-113.4 132.3 17.8 -17.8 11.5 7 63 A L E + B 0 20A 3 51,-2.9 53,-0.4 -2,-0.4 2,-0.3 -0.962 18.2 166.1-116.9 122.0 19.0 -14.3 10.8 8 64 A D E - B 0 19A 45 11,-2.6 11,-3.1 -2,-0.5 2,-0.3 -0.941 28.9-128.2-131.4 156.7 22.8 -13.7 10.3 9 65 A C E - B 0 18A 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.813 19.8-171.4-103.8 147.6 24.9 -10.8 9.0 10 66 A T E - B 0 17A 11 7,-2.6 7,-3.1 -2,-0.3 2,-0.4 -0.960 12.4-143.7-132.6 144.7 27.5 -11.2 6.2 11 67 A H E + B 0 16A 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.958 26.1 157.9-120.8 134.9 30.1 -8.6 5.2 12 68 A L E > - B 0 15A 42 3,-1.8 3,-2.6 -2,-0.4 -2,-0.1 -0.963 66.5 -3.7-153.6 134.2 31.3 -7.9 1.6 13 69 A E T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 91,-0.1 0.792 126.3 -58.7 55.2 32.6 32.8 -4.9 -0.1 14 70 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.558 116.3 112.1 75.5 9.0 32.5 -2.8 3.1 15 71 A K E < -B 12 0A 95 -3,-2.6 -3,-1.8 20,-0.0 2,-0.5 -0.719 65.3-122.8-113.0 163.2 28.7 -3.4 3.0 16 72 A V E -BC 11 33A 16 17,-0.9 17,-2.9 -2,-0.2 2,-0.5 -0.909 20.5-168.8-110.3 130.3 26.4 -5.3 5.3 17 73 A I E -BC 10 32A 0 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.5 -0.971 8.6-153.7-115.9 126.6 24.1 -8.1 4.1 18 74 A L E -BC 9 31A 3 13,-2.4 13,-1.7 -2,-0.5 2,-0.5 -0.874 12.4-166.7 -95.1 133.6 21.4 -9.6 6.3 19 75 A V E -BC 8 30A 2 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.5 -0.983 5.8-167.4-123.7 120.4 20.5 -13.2 5.5 20 76 A A E -BC 7 29A 0 9,-3.5 9,-2.1 -2,-0.5 2,-0.5 -0.934 8.8-165.5-105.5 126.3 17.4 -14.8 6.8 21 77 A V E -BC 6 28A 13 -15,-2.9 -15,-2.5 -2,-0.5 2,-0.9 -0.940 22.3-134.7-112.5 130.6 17.1 -18.6 6.4 22 78 A H E >> -B 5 0A 0 5,-3.0 4,-3.0 -2,-0.5 3,-0.9 -0.787 26.2-147.3 -80.2 110.7 14.0 -20.6 6.8 23 79 A V T 34 S+ 0 0 80 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.865 88.1 47.7 -57.5 -43.5 15.6 -23.4 8.8 24 80 A A T 34 S+ 0 0 49 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.787 126.7 24.1 -70.3 -29.3 13.4 -26.3 7.6 25 81 A S T <4 S- 0 0 4 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.653 92.7-126.9-108.6 -24.6 13.6 -25.5 3.9 26 82 A G < + 0 0 5 -4,-3.0 -3,-0.1 1,-0.3 101,-0.1 0.472 55.6 151.8 78.9 7.3 16.9 -23.5 3.4 27 83 A Y - 0 0 2 -5,-0.5 -5,-3.0 100,-0.3 2,-0.3 -0.472 29.7-153.2 -67.0 140.1 14.9 -20.8 1.6 28 84 A I E -C 21 0A 2 -7,-0.2 2,-0.4 84,-0.2 -7,-0.2 -0.883 25.4-170.1-122.4 145.9 16.6 -17.3 2.0 29 85 A E E +C 20 0A 10 -9,-2.1 -9,-3.5 -2,-0.3 2,-0.3 -0.986 27.0 168.2-119.4 135.9 15.6 -13.7 2.0 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.981 10.9 175.4-146.2 152.6 18.6 -11.4 2.0 31 87 A E E -C 18 0A 24 -13,-1.7 -13,-2.4 -2,-0.3 2,-0.4 -0.972 34.2-115.0-154.6 148.9 19.3 -7.7 1.4 32 88 A V E -C 17 0A 35 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.744 39.6-159.1 -79.9 130.9 22.2 -5.2 1.6 33 89 A I E -C 16 0A 8 -17,-2.9 -17,-0.9 -2,-0.4 3,-0.1 -0.867 25.4-121.6-117.8 152.7 21.4 -2.8 4.4 34 90 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.825 90.8 -14.0 -59.9 -37.9 22.8 0.7 5.0 35 91 A A - 0 0 38 2,-0.1 2,-2.1 -20,-0.1 5,-0.2 -0.976 69.5-102.5-165.6 154.7 24.3 -0.2 8.4 36 92 A E S S+ 0 0 53 -2,-0.3 2,-0.2 -3,-0.1 28,-0.1 -0.442 73.1 136.0 -83.7 68.3 24.0 -2.9 11.0 37 93 A T > - 0 0 60 -2,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.715 69.9-109.7-115.7 162.7 21.8 -0.9 13.3 38 94 A G H > S+ 0 0 22 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.910 117.3 53.5 -56.9 -43.0 18.6 -1.6 15.3 39 95 A Q H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 113.1 41.1 -62.5 -44.2 16.5 0.6 12.9 40 96 A E H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 116.0 50.9 -72.6 -32.0 17.6 -1.3 9.8 41 97 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 110.1 48.7 -68.7 -43.2 17.4 -4.7 11.5 42 98 A A H X S+ 0 0 5 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.906 111.4 51.1 -62.9 -42.9 13.9 -3.9 12.8 43 99 A Y H X S+ 0 0 28 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.916 110.1 48.7 -59.3 -49.1 12.9 -2.9 9.2 44 100 A F H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.924 112.4 48.6 -56.7 -46.2 14.3 -6.1 7.7 45 101 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.910 110.5 51.1 -64.0 -42.6 12.4 -8.2 10.4 46 102 A L H X S+ 0 0 10 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.915 111.7 47.7 -58.1 -45.1 9.2 -6.3 9.7 47 103 A K H >X S+ 0 0 9 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.941 113.5 47.2 -61.7 -47.7 9.6 -6.9 6.0 48 104 A L H >X S+ 0 0 3 -4,-2.7 3,-1.6 1,-0.2 4,-1.4 0.926 110.4 51.5 -59.6 -47.9 10.3 -10.6 6.5 49 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.703 105.5 56.7 -67.1 -20.2 7.4 -11.1 8.9 50 106 A G H << S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.580 112.5 41.5 -83.9 -11.2 4.9 -9.5 6.4 51 107 A R H << S+ 0 0 8 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.620 122.6 21.7-113.1 -24.3 5.9 -12.0 3.7 52 108 A W S < S- 0 0 7 -4,-1.4 2,-1.5 -49,-0.0 -1,-0.3 -0.962 90.7 -93.4-143.2 156.4 6.2 -15.4 5.5 53 109 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.554 48.7-175.0 -78.5 91.1 4.7 -16.7 8.8 54 110 A V + 0 0 11 -2,-1.5 -50,-0.2 -5,-0.3 3,-0.1 -0.758 20.0 157.5 -95.3 116.1 7.6 -15.9 11.2 55 111 A K + 0 0 70 -52,-2.6 25,-2.5 -2,-0.6 2,-0.4 0.784 69.0 15.4-103.6 -40.3 7.2 -17.1 14.7 56 112 A T E -ad 4 80A 19 -53,-2.0 -51,-2.4 23,-0.2 2,-0.4 -0.998 59.6-163.2-141.5 137.7 10.7 -17.3 16.0 57 113 A V E -ad 5 81A 2 23,-2.3 25,-1.0 -2,-0.4 2,-0.6 -0.992 10.4-151.2-124.0 129.3 14.0 -15.8 14.8 58 114 A H E +a 6 0A 71 -53,-2.6 -51,-2.9 -2,-0.4 2,-0.2 -0.925 29.3 171.6 -95.7 121.7 17.3 -17.2 16.0 59 115 A T - 0 0 18 -2,-0.6 -51,-0.1 23,-0.2 -2,-0.0 -0.703 50.2-102.6-122.1 177.5 19.9 -14.3 15.8 60 116 A D - 0 0 73 -53,-0.4 -52,-0.1 -2,-0.2 -2,-0.0 0.492 49.6-131.9 -79.1 -2.7 23.4 -13.7 16.9 61 117 A N + 0 0 111 1,-0.1 -1,-0.1 3,-0.0 20,-0.0 0.627 54.5 149.2 63.1 20.2 22.0 -11.6 19.8 62 118 A G > - 0 0 25 1,-0.1 3,-2.6 3,-0.1 4,-0.3 0.091 63.4 -68.0 -79.1-168.5 24.4 -8.8 19.1 63 119 A S G > S+ 0 0 97 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.730 125.3 60.7 -55.3 -36.9 24.3 -5.0 19.5 64 120 A N G 3 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.1 6,-0.2 0.517 103.4 53.1 -73.0 -4.3 21.6 -4.4 16.9 65 121 A F G < S+ 0 0 20 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.434 92.4 72.7-106.9 0.4 19.2 -6.6 18.8 66 122 A T S < S+ 0 0 116 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.629 78.9 91.5 -88.0 -14.5 19.4 -4.8 22.2 67 123 A G S > S- 0 0 32 -4,-0.3 4,-1.5 -3,-0.1 5,-0.2 -0.234 83.1-108.6 -93.0 174.2 17.5 -1.6 21.4 68 124 A A H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.835 110.1 59.2 -66.9 -32.9 13.9 -0.5 21.7 69 125 A T H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 108.7 40.8 -68.7 -47.4 13.3 -0.4 17.9 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.890 116.0 52.2 -63.8 -41.8 14.0 -4.1 17.2 71 127 A R H X S+ 0 0 183 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.2 47.2 -58.8 -45.5 12.2 -5.1 20.4 72 128 A A H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.884 111.7 50.2 -67.4 -39.9 9.1 -3.1 19.4 73 129 A A H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 6,-0.2 0.928 112.4 46.5 -65.4 -43.4 9.1 -4.5 15.8 74 130 A C H X>S+ 0 0 9 -4,-2.5 5,-2.8 2,-0.2 4,-0.9 0.925 113.5 49.2 -63.1 -43.4 9.3 -8.1 17.0 75 131 A D H ><5S+ 0 0 121 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.949 113.5 46.7 -58.4 -50.4 6.6 -7.4 19.6 76 132 A W H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.904 116.0 43.7 -60.7 -47.9 4.3 -5.8 17.0 77 133 A A H 3<5S- 0 0 10 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.566 113.4-117.7 -76.8 -8.9 4.9 -8.6 14.4 78 134 A G T <<5 + 0 0 58 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.2 0.798 62.2 149.1 74.1 31.3 4.5 -11.3 17.1 79 135 A I < - 0 0 10 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.808 34.4-151.6 -96.8 134.9 8.0 -12.6 16.7 80 136 A K E -d 56 0A 62 -25,-2.5 -23,-2.3 -2,-0.4 2,-0.7 -0.871 8.4-144.1-100.4 136.0 10.0 -14.2 19.5 81 137 A Q E d 57 0A 66 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.0 -0.901 360.0 360.0 -89.6 117.5 13.8 -14.1 19.7 82 138 A E 0 0 143 -25,-1.0 -23,-0.2 -2,-0.7 -26,-0.0 -0.936 360.0 360.0-124.9 360.0 14.7 -17.5 21.2 83 ! 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 84 152 A E > 0 0 199 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.3 28.1 -21.1 8.4 85 153 A S H > + 0 0 94 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.814 360.0 61.4 -70.1 -33.2 27.7 -22.9 5.1 86 154 A M H > S+ 0 0 70 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.980 108.2 40.6 -56.1 -62.9 24.6 -20.9 3.9 87 155 A N H > S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.707 115.5 55.3 -60.9 -22.5 26.3 -17.5 3.9 88 156 A K H X S+ 0 0 123 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.922 111.5 41.0 -72.5 -49.9 29.4 -19.2 2.4 89 157 A E H X S+ 0 0 47 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.889 115.0 52.0 -66.2 -41.1 27.5 -20.7 -0.5 90 158 A L H X S+ 0 0 4 -4,-3.2 4,-2.6 -5,-0.3 -1,-0.2 0.932 110.1 49.8 -59.5 -42.8 25.5 -17.4 -0.9 91 159 A K H X S+ 0 0 89 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.888 109.2 52.5 -60.8 -38.7 28.9 -15.6 -0.9 92 160 A K H X S+ 0 0 144 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 110.7 45.6 -65.0 -44.5 30.1 -18.1 -3.6 93 161 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.898 110.6 54.1 -67.2 -40.7 27.1 -17.4 -5.9 94 162 A I H X S+ 0 0 5 -4,-2.6 4,-1.4 2,-0.2 3,-0.3 0.950 108.8 49.3 -55.3 -49.5 27.5 -13.7 -5.3 95 163 A G H < S+ 0 0 51 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.917 108.7 54.6 -50.4 -46.4 31.2 -14.1 -6.5 96 164 A Q H < S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 120.7 28.5 -59.3 -38.7 29.9 -16.0 -9.5 97 165 A V H >< S+ 0 0 5 -4,-2.0 3,-1.9 -3,-0.3 4,-0.4 0.442 89.3 104.1-104.6 -0.2 27.5 -13.2 -10.6 98 166 A R G >< S+ 0 0 58 -4,-1.4 3,-1.2 -3,-0.4 -1,-0.1 0.836 77.7 54.5 -55.1 -39.4 29.3 -10.1 -9.3 99 167 A D G 3 S+ 0 0 135 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.631 99.1 64.1 -70.8 -15.4 30.7 -9.0 -12.7 100 168 A Q G < S+ 0 0 113 -3,-1.9 2,-0.4 -4,-0.0 -1,-0.2 0.547 101.3 53.4 -85.6 -8.6 27.2 -9.0 -14.2 101 169 A A < - 0 0 13 -3,-1.2 3,-0.0 -4,-0.4 -1,-0.0 -0.969 65.1-149.6-128.5 142.4 25.9 -6.2 -11.9 102 170 A E S S+ 0 0 155 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.877 87.4 55.3 -70.8 -38.5 27.3 -2.7 -11.2 103 171 A H S >> S- 0 0 73 1,-0.1 4,-1.6 0, 0.0 3,-0.7 -0.777 76.2-137.3-106.7 138.4 25.9 -2.8 -7.7 104 172 A L H 3> S+ 0 0 5 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.871 104.0 63.2 -55.4 -40.5 26.4 -5.3 -5.0 105 173 A K H 3> S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 103.5 48.5 -55.9 -37.2 22.7 -5.2 -4.1 106 174 A T H <> S+ 0 0 36 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.922 109.9 50.8 -67.4 -45.2 21.8 -6.6 -7.5 107 175 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.913 108.4 53.9 -59.7 -41.7 24.4 -9.3 -7.3 108 176 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.924 110.0 46.5 -59.6 -43.1 22.9 -10.3 -3.8 109 177 A Q H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.850 109.4 52.5 -72.7 -33.1 19.4 -10.6 -5.3 110 178 A M H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.919 110.5 50.5 -61.6 -39.8 20.6 -12.6 -8.3 111 179 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.885 108.7 50.3 -66.6 -40.9 22.2 -14.9 -5.7 112 180 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -84,-0.2 0.935 111.2 50.1 -58.4 -46.5 19.0 -15.2 -3.7 113 181 A F H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.960 113.7 44.3 -56.1 -53.3 17.2 -16.1 -6.9 114 182 A I H X S+ 0 0 42 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.942 114.3 49.1 -60.4 -49.0 19.7 -18.8 -7.8 115 183 A H H < S+ 0 0 19 -4,-2.9 12,-0.5 1,-0.2 -1,-0.2 0.915 114.2 44.9 -56.5 -46.2 19.8 -20.2 -4.3 116 184 A N H < S+ 0 0 3 -4,-2.5 12,-2.3 -5,-0.2 13,-0.3 0.749 119.8 39.9 -74.1 -25.3 16.0 -20.4 -4.0 117 185 A H H < S+ 0 0 74 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.643 81.7 120.5 -96.7 -23.7 15.4 -21.9 -7.5 118 186 A K < - 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0 0 44 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.564 49.1-174.0 -76.5 97.6 7.8 -18.4 -8.8 195 110 B V + 0 0 12 -2,-1.4 -50,-0.2 -5,-0.4 3,-0.1 -0.824 20.1 157.1 -99.2 116.5 7.1 -15.5 -11.1 196 111 B K + 0 0 96 -52,-2.6 25,-2.5 -2,-0.6 2,-0.4 0.788 68.6 12.7-102.3 -43.4 6.1 -16.5 -14.7 197 112 B T E -eh 145 221B 18 -53,-2.0 -51,-2.4 23,-0.2 2,-0.4 -0.997 59.5-162.0-140.5 139.9 4.3 -13.5 -16.0 198 113 B V E -eh 146 222B 1 23,-2.4 25,-1.2 -2,-0.4 2,-0.6 -0.994 10.2-150.6-124.6 128.2 3.9 -10.0 -14.7 199 114 B H E +e 147 0B 53 -53,-2.7 -51,-2.9 -2,-0.4 2,-0.2 -0.909 29.5 172.4 -92.5 123.4 1.1 -7.8 -15.9 200 115 B T - 0 0 18 -2,-0.6 -51,-0.1 -53,-0.2 -2,-0.0 -0.701 49.4-102.8-122.9 178.3 2.3 -4.2 -15.7 201 116 B D - 0 0 73 -53,-0.4 -52,-0.1 -2,-0.2 -2,-0.0 0.484 49.5-130.9 -79.6 -2.0 1.0 -0.8 -16.8 202 117 B N + 0 0 102 1,-0.1 -1,-0.1 3,-0.0 4,-0.0 0.593 55.1 149.6 61.3 20.3 3.5 -0.9 -19.8 203 118 B G > - 0 0 26 1,-0.1 3,-2.5 2,-0.1 4,-0.3 0.172 63.2 -69.1 -77.7-169.2 4.8 2.6 -19.0 204 119 B S G > S+ 0 0 96 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.742 125.1 60.4 -56.5 -35.3 8.1 4.3 -19.4 205 120 B N G 3 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.1 6,-0.1 0.495 102.9 54.3 -75.3 -1.9 10.0 2.3 -16.8 206 121 B F G < S+ 0 0 22 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.390 92.3 72.0-106.5 1.2 9.3 -0.9 -18.7 207 122 B T S < S+ 0 0 115 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.608 78.8 93.8 -92.8 -11.2 10.7 0.2 -22.1 208 123 B G S > S- 0 0 32 -4,-0.3 4,-1.5 -3,-0.1 5,-0.2 -0.240 81.9-109.3 -93.6 171.5 14.4 0.2 -21.3 209 124 B A H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 110.7 56.7 -61.2 -37.8 17.3 -2.3 -21.6 210 125 B T H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 108.5 42.7 -72.5 -43.5 17.7 -3.0 -17.9 211 126 B V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 115.6 51.2 -64.9 -39.9 14.1 -4.1 -17.1 212 127 B R H X S+ 0 0 191 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.933 111.3 47.7 -62.5 -44.4 14.1 -6.2 -20.3 213 128 B A H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.889 111.6 50.3 -65.6 -39.2 17.4 -7.8 -19.3 214 129 B A H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.921 112.3 45.9 -68.7 -40.9 16.2 -8.6 -15.8 215 130 B C H X>S+ 0 0 10 -4,-2.4 5,-2.6 2,-0.2 4,-1.0 0.917 113.9 49.5 -66.2 -40.1 13.0 -10.2 -16.9 216 131 B D H ><5S+ 0 0 124 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.947 113.1 46.5 -61.6 -49.3 14.9 -12.2 -19.5 217 132 B W H 3<5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.1 44.4 -59.4 -47.3 17.4 -13.4 -16.9 218 133 B A H 3<5S- 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.592 112.9-118.0 -76.8 -10.9 14.8 -14.3 -14.4 219 134 B G T <<5 + 0 0 56 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.777 62.5 147.5 78.1 27.9 12.6 -16.0 -17.0 220 135 B I < - 0 0 12 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.789 34.2-152.8 -97.5 138.1 9.6 -13.6 -16.6 221 136 B K E -h 197 0B 152 -25,-2.5 -23,-2.4 -2,-0.4 2,-0.6 -0.869 10.5-139.2-102.8 140.5 7.2 -12.6 -19.5 222 137 B Q E h 198 0B 68 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.0 -0.884 360.0 360.0 -89.8 125.4 5.3 -9.4 -19.6 223 138 B E 0 0 162 -25,-1.2 -1,-0.1 -2,-0.6 -24,-0.1 0.515 360.0 360.0-117.4 360.0 1.8 -10.2 -20.9 224 ! 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 0.0 225 153 B S 0 0 134 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.7 -9.2 -3.6 -4.8 226 154 B M > + 0 0 54 3,-0.1 4,-2.1 2,-0.1 5,-0.1 0.678 360.0 59.5 -96.5 -26.0 -6.0 -4.4 -2.8 227 155 B N H > S+ 0 0 44 2,-0.3 4,-1.5 1,-0.2 5,-0.0 0.714 105.4 42.5 -84.1 -29.7 -4.4 -1.0 -3.7 228 156 B K H > S+ 0 0 149 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.782 116.1 53.4 -80.6 -32.5 -6.9 1.4 -2.2 229 157 B E H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 -2,-0.3 0.902 106.9 51.5 -61.1 -45.0 -7.0 -1.0 0.7 230 158 B L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.947 110.1 47.8 -60.5 -47.4 -3.2 -0.7 1.0 231 159 B K H X S+ 0 0 76 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.876 111.2 52.4 -60.3 -36.6 -3.5 3.1 1.0 232 160 B K H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 110.8 46.1 -64.9 -43.1 -6.2 2.8 3.7 233 161 B I H X S+ 0 0 7 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.907 110.7 51.9 -68.5 -42.7 -4.0 0.6 5.9 234 162 B I H >X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 3,-0.5 0.935 108.5 54.6 -55.7 -46.0 -1.0 2.9 5.4 235 163 B G H 3< S+ 0 0 44 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.915 107.6 48.3 -46.8 -51.6 -3.4 5.6 6.5 236 164 B Q H 3< S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.733 122.0 33.7 -70.4 -20.7 -4.2 3.7 9.7 237 165 B V H X< S+ 0 0 8 -4,-1.4 3,-2.1 -3,-0.5 4,-0.4 0.542 86.8 100.6-110.7 -5.4 -0.6 3.0 10.6 238 166 B R G >< S+ 0 0 58 -4,-1.9 3,-1.5 -3,-0.3 9,-0.1 0.827 78.8 54.8 -51.0 -42.8 1.2 6.1 9.4 239 167 B D G 3 S+ 0 0 145 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.564 100.5 61.6 -73.9 -8.2 1.5 7.9 12.7 240 168 B Q G < S+ 0 0 114 -3,-2.1 2,-0.4 1,-0.0 -1,-0.3 0.506 101.1 61.1 -90.8 -8.9 3.3 4.9 14.3 241 169 B A < - 0 0 12 -3,-1.5 3,-0.0 -4,-0.4 -1,-0.0 -0.955 63.5-154.7-123.3 139.2 6.1 5.1 11.9 242 170 B E S S+ 0 0 150 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.894 86.7 49.5 -70.7 -40.0 8.6 8.0 11.4 243 171 B H S >> S- 0 0 57 1,-0.1 4,-1.7 0, 0.0 3,-0.7 -0.801 76.9-134.2-110.0 140.4 9.2 6.8 7.8 244 172 B L H 3> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.878 105.7 62.3 -53.4 -43.2 6.7 6.0 5.0 245 173 B K H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 104.0 48.5 -54.4 -37.1 8.7 2.8 4.1 246 174 B T H <> S+ 0 0 36 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.930 110.5 50.1 -70.1 -43.3 8.0 1.4 7.6 247 175 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.904 109.0 53.4 -58.3 -41.3 4.3 2.3 7.3 248 176 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.938 110.2 46.6 -62.4 -43.6 4.2 0.5 3.9 249 177 B Q H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.846 109.5 52.4 -70.7 -34.6 5.8 -2.7 5.4 250 178 B M H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.918 110.3 50.7 -61.1 -39.9 3.4 -2.7 8.3 251 179 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.886 108.5 50.9 -65.5 -40.1 0.5 -2.4 5.7 252 180 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -83,-0.2 0.937 110.6 49.8 -60.4 -46.7 2.0 -5.3 3.8 253 181 B F H X S+ 0 0 29 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.952 113.1 45.9 -54.8 -53.3 2.1 -7.4 7.0 254 182 B I H X S+ 0 0 39 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.948 114.2 47.7 -59.0 -49.7 -1.5 -6.5 7.9 255 183 B H H < S+ 0 0 11 -4,-2.8 9,-0.5 1,-0.2 -1,-0.2 0.914 114.1 45.5 -56.0 -48.0 -2.9 -7.2 4.4 256 184 B N H < S+ 0 0 4 -4,-2.5 9,-2.3 1,-0.2 10,-0.4 0.757 120.0 39.8 -72.8 -25.8 -1.1 -10.5 4.0 257 185 B H H < S+ 0 0 76 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.650 83.1 117.5 -95.3 -23.7 -2.1 -11.8 7.5 258 186 B K < 0 0 119 -4,-2.2 6,-0.4 -5,-0.2 7,-0.1 -0.255 360.0 360.0 -53.3 127.2 -5.7 -10.5 7.7 259 187 B R 0 0 185 4,-0.1 4,-0.2 5,-0.1 -1,-0.1 -0.974 360.0 360.0-119.9 360.0 -8.2 -13.3 8.0 260 ! 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 0.0 261 193 B G 0 0 87 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -33.0 -11.4 -18.1 6.2 262 194 B Y - 0 0 145 -4,-0.0 2,-0.2 4,-0.0 -5,-0.0 -0.900 360.0-121.8-122.8 159.5 -7.8 -17.9 5.0 263 195 B S > - 0 0 10 -2,-0.3 4,-2.6 -4,-0.2 -6,-0.1 -0.513 33.4-107.5 -86.6 168.1 -5.3 -15.0 4.7 264 196 B A H > S+ 0 0 2 -9,-0.5 4,-2.6 -6,-0.4 -96,-0.3 0.868 123.2 56.1 -62.0 -35.4 -3.7 -14.0 1.4 265 197 B G H > S+ 0 0 21 -9,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.918 109.2 44.5 -61.9 -46.1 -0.5 -15.5 2.9 266 198 B E H > S+ 0 0 29 -10,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.910 112.8 53.2 -64.6 -41.8 -2.2 -18.8 3.5 267 199 B R H X S+ 0 0 98 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.908 106.5 50.3 -60.8 -45.6 -3.9 -18.7 0.0 268 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.923 112.4 46.4 -65.9 -39.7 -0.6 -18.2 -1.9 269 201 B V H X S+ 0 0 4 -4,-1.6 4,-2.7 -5,-0.2 5,-0.2 0.932 113.4 49.4 -67.5 -40.2 1.1 -21.1 -0.2 270 202 B D H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 113.2 47.6 -60.8 -47.8 -1.9 -23.4 -0.8 271 203 B I H X S+ 0 0 43 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.925 116.1 41.9 -57.8 -49.0 -2.1 -22.4 -4.5 272 204 B I H X S+ 0 0 7 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.920 113.7 51.9 -71.3 -40.0 1.6 -22.8 -5.2 273 205 B A H X S+ 0 0 15 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.912 109.4 51.0 -59.1 -45.5 1.9 -26.1 -3.2 274 206 B T H < S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.893 108.8 51.4 -59.7 -43.0 -1.1 -27.5 -5.1 275 207 B D H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 103.0 57.9 -60.6 -45.9 0.5 -26.6 -8.4 276 208 B I H < 0 0 59 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.882 360.0 360.0 -53.6 -41.1 3.8 -28.3 -7.4 277 209 B Q < 0 0 209 -4,-1.6 -2,-0.1 -5,-0.2 -3,-0.1 0.787 360.0 360.0 -74.2 360.0 1.7 -31.5 -7.0