==== 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/TRANSFERASE INHIBITOR 21-MAR-12 3VQE . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,D.K.CHALMERS,M.W.PARKER,M.J.SCANLON . 269 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 12.6 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 . 1 0.4 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 3 1 3 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 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 89 0, 0.0 3,-1.1 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 145.1 1.6 19.7 -13.6 2 58 A P T 3 + 0 0 29 0, 0.0 131,-0.1 0, 0.0 23,-0.1 0.576 360.0 60.1 -57.3 -19.0 0.1 20.0 -10.1 3 59 A G T 3 S+ 0 0 3 51,-0.1 52,-2.4 19,-0.0 53,-1.8 0.289 78.3 111.2-103.6 11.8 -2.8 18.0 -11.7 4 60 A I E < +a 56 0A 40 -3,-1.1 19,-1.4 51,-0.2 20,-0.4 -0.763 38.6 173.5 -99.8 125.9 -0.9 14.9 -12.7 5 61 A W E -aB 57 22A 0 51,-2.4 53,-2.6 -2,-0.5 2,-0.4 -0.919 22.3-144.5-124.5 153.0 -1.6 11.5 -11.1 6 62 A Q E -aB 58 21A 86 15,-2.4 15,-3.1 -2,-0.3 2,-0.5 -0.959 14.5-160.7-116.5 134.0 -0.4 7.9 -11.7 7 63 A L E + B 0 20A 3 51,-2.6 53,-0.3 -2,-0.4 2,-0.3 -0.980 18.0 163.9-119.9 124.7 -2.9 5.1 -11.0 8 64 A D E - B 0 19A 44 11,-2.5 11,-2.8 -2,-0.5 2,-0.3 -0.915 27.7-131.1-134.9 162.7 -1.6 1.5 -10.5 9 65 A C E - B 0 18A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.826 20.9-179.0-112.4 154.3 -3.0 -1.7 -9.2 10 66 A T E - B 0 17A 12 7,-1.9 7,-2.8 -2,-0.3 2,-0.4 -0.969 15.9-136.6-150.0 156.0 -1.4 -4.0 -6.7 11 67 A H E + B 0 16A 94 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.954 24.2 161.5-130.1 133.6 -2.5 -7.3 -5.2 12 68 A L E > - B 0 15A 44 3,-1.8 3,-2.2 -2,-0.4 -2,-0.0 -0.979 69.5 -3.2-148.9 136.6 -2.5 -8.7 -1.6 13 69 A E T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 90,-0.1 0.813 127.4 -56.9 54.2 34.8 -4.3 -11.6 0.0 14 70 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.627 115.3 115.9 74.0 13.6 -6.4 -12.2 -3.1 15 71 A K E < -B 12 0A 99 -3,-2.2 -3,-1.8 20,-0.0 2,-0.5 -0.793 62.6-125.9-118.8 158.2 -7.6 -8.7 -3.1 16 72 A V E -BC 11 33A 18 17,-0.7 17,-2.5 -2,-0.3 2,-0.4 -0.899 20.9-171.5-107.3 129.7 -7.2 -5.7 -5.4 17 73 A I E -BC 10 32A 0 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.4 -0.981 11.2-151.3-119.9 127.9 -5.8 -2.3 -4.3 18 74 A L E -BC 9 31A 2 13,-2.5 13,-1.9 -2,-0.4 2,-0.5 -0.861 13.3-165.2 -97.3 135.2 -5.8 0.8 -6.5 19 75 A V E -BC 8 30A 1 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.5 -0.989 4.7-167.2-123.3 119.0 -3.0 3.2 -5.7 20 76 A A E -BC 7 29A 1 9,-3.4 9,-2.3 -2,-0.5 2,-0.5 -0.951 7.3-165.0-107.6 126.8 -3.1 6.8 -7.0 21 77 A V E -BC 6 28A 11 -15,-3.1 -15,-2.4 -2,-0.5 2,-0.9 -0.940 20.0-138.3-113.4 128.4 0.1 8.8 -6.6 22 78 A H E >>> -BC 5 27A 0 5,-2.9 4,-2.9 -2,-0.5 3,-0.7 -0.800 24.5-149.3 -81.8 109.9 0.3 12.5 -7.0 23 79 A V T 345S+ 0 0 78 -19,-1.4 -1,-0.2 -2,-0.9 -18,-0.1 0.861 86.4 48.6 -59.1 -44.9 3.5 12.6 -9.0 24 80 A A T 345S+ 0 0 58 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.809 126.1 26.1 -65.6 -32.3 5.0 15.9 -7.9 25 81 A S T <45S- 0 0 4 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.728 92.9-126.8-102.0 -27.2 4.5 15.3 -4.2 26 82 A G T <5 + 0 0 11 -4,-2.9 -3,-0.1 1,-0.3 99,-0.1 0.481 55.8 152.5 80.7 5.6 4.5 11.5 -3.7 27 83 A Y E < -C 22 0A 0 -5,-0.5 -5,-2.9 98,-0.3 2,-0.4 -0.450 29.9-150.7 -65.0 141.0 1.1 11.8 -1.9 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.4 83,-0.2 -7,-0.2 -0.915 24.0-173.4-123.6 140.3 -1.0 8.6 -2.1 29 85 A E E +C 20 0A 8 -9,-2.3 -9,-3.4 -2,-0.4 2,-0.3 -0.999 25.1 167.2-117.9 129.1 -4.7 7.7 -2.2 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.990 9.4 172.6-145.0 148.0 -5.3 3.9 -2.1 31 87 A E E -C 18 0A 16 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.4 -0.985 35.7-113.6-150.7 145.4 -8.3 1.7 -1.5 32 88 A V E -C 17 0A 37 -2,-0.3 -15,-0.3 -15,-0.2 -2,-0.0 -0.660 39.0-161.0 -71.7 132.4 -9.2 -2.0 -1.7 33 89 A I E -C 16 0A 8 -17,-2.5 -17,-0.7 -2,-0.4 3,-0.1 -0.897 26.2-118.6-119.6 154.5 -11.8 -2.4 -4.5 34 90 A P S S- 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.823 89.8 -15.1 -61.8 -34.9 -14.1 -5.3 -5.0 35 91 A A S S- 0 0 39 2,-0.1 2,-2.0 -20,-0.1 5,-0.1 -0.963 70.7-100.7-165.5 153.7 -12.7 -6.3 -8.5 36 92 A E S S+ 0 0 57 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.540 73.1 135.3 -81.6 74.1 -10.4 -4.8 -11.1 37 93 A T > - 0 0 60 -2,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.787 69.9-110.1-119.2 164.2 -13.3 -3.7 -13.4 38 94 A G H > S+ 0 0 22 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 117.0 53.3 -57.6 -44.2 -14.1 -0.6 -15.4 39 95 A Q H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 112.5 41.7 -61.9 -45.2 -17.0 0.2 -13.0 40 96 A E H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 115.0 51.8 -72.7 -33.3 -14.9 0.0 -9.8 41 97 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.932 109.3 49.7 -66.2 -45.2 -12.1 1.9 -11.5 42 98 A A H X S+ 0 0 5 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.928 110.4 51.6 -55.2 -44.9 -14.4 4.7 -12.6 43 99 A Y H X S+ 0 0 19 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.932 109.6 48.3 -60.9 -47.8 -15.8 4.9 -9.1 44 100 A F H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 111.8 50.0 -58.0 -43.2 -12.3 5.2 -7.6 45 101 A L H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.883 109.2 51.2 -67.6 -38.1 -11.3 7.9 -10.2 46 102 A L H X S+ 0 0 13 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.898 109.7 50.9 -64.5 -42.0 -14.5 10.0 -9.5 47 103 A K H X S+ 0 0 10 -4,-2.2 4,-0.6 -5,-0.2 3,-0.3 0.950 112.5 46.0 -57.2 -48.4 -13.8 9.8 -5.8 48 104 A L H >X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 3,-1.5 0.931 109.6 54.1 -61.2 -45.8 -10.3 11.1 -6.3 49 105 A A H 3< S+ 0 0 1 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.741 105.0 54.3 -66.1 -25.3 -11.3 13.8 -8.7 50 106 A G H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.634 113.9 41.5 -77.6 -13.9 -13.8 15.3 -6.2 51 107 A R H << S+ 0 0 12 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.750 123.8 22.2-105.4 -32.2 -11.1 15.5 -3.5 52 108 A W S < S- 0 0 3 -4,-2.1 2,-1.5 -49,-0.0 -1,-0.3 -0.943 90.0 -95.8-135.2 154.7 -8.1 16.8 -5.5 53 109 A P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.559 46.6-173.3 -77.3 92.4 -7.7 18.7 -8.8 54 110 A V + 0 0 2 -2,-1.5 -50,-0.2 -5,-0.3 3,-0.1 -0.754 20.7 156.6 -92.8 115.7 -7.1 15.8 -11.2 55 111 A K + 0 0 93 -52,-2.4 25,-3.2 -2,-0.6 2,-0.3 0.805 68.3 16.4-104.8 -40.0 -6.2 16.9 -14.8 56 112 A T E -ad 4 80A 19 -53,-1.8 -51,-2.4 23,-0.2 2,-0.4 -0.992 59.7-164.9-137.8 141.2 -4.3 14.0 -16.2 57 113 A V E -ad 5 81A 4 23,-2.3 25,-0.9 -2,-0.3 2,-0.5 -0.985 8.7-154.1-130.7 121.7 -4.0 10.3 -15.0 58 114 A H E +a 6 0A 67 -53,-2.6 -51,-2.6 -2,-0.4 2,-0.2 -0.830 27.5 171.4 -94.0 123.9 -1.3 8.0 -16.3 59 115 A T - 0 0 18 -2,-0.5 -51,-0.1 -53,-0.2 -2,-0.0 -0.634 49.5-101.2-124.1-179.8 -2.5 4.4 -16.0 60 116 A D - 0 0 70 -53,-0.3 -52,-0.1 -2,-0.2 -2,-0.0 0.485 48.7-133.8 -83.8 -3.1 -1.4 0.9 -17.1 61 117 A N + 0 0 112 1,-0.1 -1,-0.0 3,-0.0 20,-0.0 0.616 54.2 144.7 63.8 17.1 -3.9 1.1 -19.9 62 118 A G > - 0 0 27 1,-0.1 3,-2.4 2,-0.1 4,-0.2 0.162 65.8 -61.8 -77.0-162.6 -5.1 -2.5 -19.3 63 119 A S G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.695 126.4 60.3 -61.0 -30.9 -8.5 -4.1 -19.5 64 120 A N G 3 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 6,-0.2 0.509 105.6 52.0 -80.3 0.8 -10.3 -2.0 -17.0 65 121 A F G < S+ 0 0 21 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.297 91.4 73.4-112.5 4.6 -9.5 1.1 -19.1 66 122 A T S < S+ 0 0 116 -3,-1.1 -2,-0.1 -4,-0.2 -3,-0.1 0.638 82.0 87.4 -92.6 -14.7 -10.9 -0.0 -22.5 67 123 A G S > S- 0 0 36 -4,-0.3 4,-1.0 1,-0.1 5,-0.1 -0.135 86.8-106.3 -92.1 178.5 -14.6 0.2 -21.7 68 124 A A H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.814 107.2 64.8 -70.7 -28.4 -17.2 2.9 -21.9 69 125 A T H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 103.9 38.0 -69.3 -54.4 -17.4 3.4 -18.1 70 126 A V H > S+ 0 0 1 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 117.9 53.1 -63.4 -35.5 -13.9 4.8 -17.2 71 127 A R H X S+ 0 0 193 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.945 110.8 46.4 -65.3 -44.9 -14.0 6.8 -20.4 72 128 A A H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.888 113.4 49.1 -63.3 -43.5 -17.4 8.3 -19.5 73 129 A A H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.913 112.5 46.6 -65.3 -43.1 -16.3 9.0 -15.9 74 130 A C H X>S+ 0 0 4 -4,-2.6 5,-2.6 2,-0.2 4,-0.9 0.922 112.4 51.2 -64.3 -41.5 -13.1 10.7 -17.0 75 131 A D H ><5S+ 0 0 132 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.964 111.5 48.2 -54.6 -53.3 -15.0 12.7 -19.7 76 132 A W H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.870 116.1 41.9 -58.1 -43.9 -17.5 13.8 -17.0 77 133 A A H 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.489 112.2-116.4 -86.0 -4.3 -14.8 14.9 -14.5 78 134 A G T <<5 + 0 0 51 -3,-1.1 2,-0.5 -4,-0.9 -3,-0.2 0.860 61.2 150.9 70.5 36.5 -12.6 16.5 -17.2 79 135 A I < - 0 0 13 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.865 37.3-144.0 -99.3 132.2 -9.7 14.1 -16.7 80 136 A K E -d 56 0A 115 -25,-3.2 -23,-2.3 -2,-0.5 2,-0.7 -0.790 7.5-144.4 -88.8 131.8 -7.3 13.3 -19.6 81 137 A Q E d 57 0A 52 -2,-0.5 -23,-0.2 -25,-0.2 -25,-0.1 -0.881 360.0 360.0 -91.5 115.8 -6.0 9.8 -19.9 82 138 A E 0 0 133 -25,-0.9 -24,-0.2 -2,-0.7 -1,-0.1 0.233 360.0 360.0-127.9 360.0 -2.4 10.1 -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 84 153 A S > 0 0 130 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.9 8.2 1.9 -6.0 85 154 A M H >> + 0 0 46 2,-0.2 4,-4.1 1,-0.2 5,-0.5 0.977 360.0 56.7 -64.4 -57.1 5.1 3.0 -4.2 86 155 A N H >5S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.862 113.8 43.0 -42.3 -43.6 3.3 -0.4 -4.5 87 156 A K H >5S+ 0 0 162 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.963 117.0 44.3 -69.2 -54.8 6.4 -1.9 -2.8 88 157 A E H X5S+ 0 0 49 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.942 115.5 48.0 -53.6 -51.0 6.8 0.8 -0.1 89 158 A L H X5S+ 0 0 2 -4,-4.1 4,-2.5 1,-0.2 -1,-0.2 0.911 111.6 51.7 -60.0 -38.6 3.1 0.9 0.6 90 159 A K H XX S+ 0 0 6 -4,-1.9 3,-2.3 -3,-0.3 4,-0.6 0.486 90.0 102.0-104.0 -2.3 0.9 -2.9 10.4 97 166 A R G >< S+ 0 0 44 -4,-1.6 3,-1.2 -3,-0.5 -2,-0.1 0.843 78.2 53.8 -57.8 -38.6 -1.0 -5.9 9.0 98 167 A D G 34 S+ 0 0 159 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.526 99.7 63.0 -78.0 -4.6 -1.3 -7.7 12.3 99 168 A Q G <4 S+ 0 0 125 -3,-2.3 2,-0.4 1,-0.0 -1,-0.3 0.578 101.9 55.9 -91.5 -15.8 -2.8 -4.8 14.1 100 169 A A << - 0 0 12 -3,-1.2 -1,-0.0 -4,-0.6 3,-0.0 -0.948 67.4-151.0-118.4 140.4 -5.9 -4.8 11.9 101 170 A E S S+ 0 0 154 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.940 85.4 53.3 -62.6 -52.2 -8.3 -7.7 11.3 102 171 A H S >> S- 0 0 72 1,-0.1 4,-1.6 4,-0.0 3,-0.8 -0.682 76.4-137.3-100.3 136.8 -9.2 -6.5 7.8 103 172 A L H 3> S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 103.5 64.7 -54.9 -35.9 -6.8 -5.7 5.0 104 173 A K H 3> S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 103.3 46.8 -60.5 -36.4 -8.8 -2.6 4.2 105 174 A T H <> S+ 0 0 33 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.913 110.0 51.7 -68.8 -45.7 -8.0 -1.1 7.5 106 175 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.856 107.2 55.2 -60.0 -38.2 -4.3 -1.9 7.3 107 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.937 108.9 46.2 -62.7 -42.1 -4.3 -0.2 3.9 108 177 A Q H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.864 110.5 52.8 -72.9 -33.1 -5.7 3.0 5.3 109 178 A M H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.930 110.3 49.7 -61.4 -43.0 -3.2 3.0 8.2 110 179 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.895 108.5 51.0 -63.1 -42.1 -0.4 2.6 5.7 111 180 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -83,-0.2 0.929 110.9 50.5 -58.3 -45.2 -1.7 5.5 3.6 112 181 A F H X S+ 0 0 26 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.955 112.7 45.4 -57.0 -50.9 -1.8 7.6 6.8 113 182 A I H X S+ 0 0 38 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.948 113.8 48.7 -62.1 -47.8 1.8 6.7 7.7 114 183 A H H < S+ 0 0 16 -4,-2.8 11,-0.5 1,-0.2 3,-0.2 0.927 114.4 45.2 -57.2 -46.6 3.1 7.2 4.2 115 184 A N H < S+ 0 0 0 -4,-2.6 11,-2.3 -5,-0.2 12,-0.4 0.739 118.8 41.0 -73.7 -23.0 1.4 10.6 3.8 116 185 A H H < S+ 0 0 73 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.550 83.6 117.8 -98.2 -13.8 2.5 11.9 7.3 117 186 A K < - 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0 0 42 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.572 46.6-173.9 -71.9 92.2 -4.7 17.0 8.7 193 110 B V + 0 0 12 -2,-1.4 -50,-0.2 -5,-0.3 3,-0.1 -0.792 20.7 156.0 -95.5 115.9 -7.5 16.0 11.1 194 111 B K + 0 0 80 -52,-2.3 25,-2.9 -2,-0.7 2,-0.4 0.805 68.2 15.5-102.8 -42.9 -6.9 17.4 14.6 195 112 B T E -eh 143 219B 9 -53,-2.0 -51,-2.4 23,-0.2 2,-0.4 -0.996 59.4-165.1-139.3 140.0 -10.5 17.5 16.0 196 113 B V E -eh 144 220B 3 23,-2.4 25,-0.9 -2,-0.4 2,-0.5 -0.987 8.7-154.2-130.7 122.2 -13.7 16.0 14.9 197 114 B H E +e 145 0B 56 -53,-2.5 -51,-2.8 -2,-0.4 2,-0.2 -0.829 27.7 171.2 -93.5 125.9 -17.2 17.1 16.1 198 115 B T - 0 0 18 -2,-0.5 -51,-0.1 23,-0.4 -2,-0.0 -0.649 49.7-100.0-127.0 179.1 -19.7 14.2 15.8 199 116 B D - 0 0 72 -53,-0.3 3,-0.1 -2,-0.2 -52,-0.1 0.480 48.4-133.3 -83.6 -1.2 -23.2 13.5 17.0 200 117 B N + 0 0 99 1,-0.1 -1,-0.0 3,-0.0 4,-0.0 0.611 54.9 146.1 61.9 18.0 -21.8 11.4 19.8 201 118 B G > - 0 0 25 1,-0.1 3,-2.4 2,-0.1 4,-0.3 0.209 65.1 -63.2 -76.9-163.5 -24.2 8.6 19.1 202 119 B S G > S+ 0 0 94 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.727 126.5 59.7 -61.0 -30.9 -24.0 4.9 19.4 203 120 B N G 3 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 6,-0.2 0.464 105.5 52.1 -82.3 2.3 -21.3 4.4 16.9 204 121 B F G < S+ 0 0 26 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.333 91.2 73.3-112.8 2.9 -19.0 6.6 18.9 205 122 B T S < S+ 0 0 117 -3,-1.0 -2,-0.1 -4,-0.3 -3,-0.1 0.567 82.4 90.4 -91.1 -9.9 -19.3 4.9 22.3 206 123 B G S > S- 0 0 36 -4,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.262 85.7-109.1 -94.5 174.2 -17.3 1.8 21.5 207 124 B A H > S+ 0 0 78 1,-0.2 4,-2.9 2,-0.1 5,-0.2 0.853 107.2 63.8 -64.5 -34.4 -13.6 0.8 21.7 208 125 B T H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 104.5 38.8 -64.8 -55.0 -13.1 0.9 17.9 209 126 B V H > S+ 0 0 1 -6,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 117.6 52.6 -61.6 -39.5 -13.6 4.6 17.1 210 127 B R H X S+ 0 0 198 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.947 111.1 46.9 -59.3 -49.2 -11.8 5.5 20.3 211 128 B A H X S+ 0 0 55 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.903 113.2 48.3 -61.0 -45.8 -8.9 3.3 19.3 212 129 B A H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.917 113.0 46.5 -63.6 -43.6 -8.8 4.7 15.7 213 130 B C H X>S+ 0 0 8 -4,-2.8 5,-2.5 2,-0.2 4,-1.0 0.926 112.9 50.9 -64.0 -41.3 -8.9 8.4 16.9 214 131 B D H ><5S+ 0 0 128 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.965 111.7 47.6 -55.6 -54.1 -6.2 7.6 19.5 215 132 B W H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.856 116.6 42.4 -56.6 -44.5 -4.0 6.0 16.9 216 133 B A H 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.479 112.1-115.8 -85.2 -4.9 -4.4 8.9 14.4 217 134 B G T <<5 + 0 0 55 -3,-1.1 2,-0.4 -4,-1.0 -3,-0.2 0.834 62.6 148.4 72.1 34.3 -4.1 11.7 17.0 218 135 B I < - 0 0 12 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.845 37.7-145.8-100.9 134.5 -7.6 13.0 16.6 219 136 B K E -h 195 0B 142 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.8 -0.828 7.9-142.6 -94.8 134.7 -9.5 14.5 19.5 220 137 B Q E h 196 0B 68 -2,-0.5 -23,-0.2 -25,-0.2 -25,-0.1 -0.873 360.0 360.0 -94.9 112.9 -13.3 14.0 19.6 221 138 B E 0 0 148 -25,-0.9 -23,-0.4 -2,-0.8 -1,-0.1 0.203 360.0 360.0-117.8 360.0 -14.7 17.3 21.0 222 ! 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 0.0 223 153 B S 0 0 135 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.1 -26.1 24.0 4.9 224 154 B M > + 0 0 57 3,-0.1 4,-2.0 2,-0.1 5,-0.1 0.825 360.0 52.6 -84.6 -36.2 -23.7 21.7 3.2 225 155 B N H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.793 109.7 42.4 -79.8 -32.2 -25.6 18.5 4.1 226 156 B K H > S+ 0 0 169 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.869 116.2 53.7 -73.3 -35.9 -29.1 19.3 2.8 227 157 B E H > S+ 0 0 54 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.909 102.4 56.7 -61.1 -36.7 -27.4 20.7 -0.2 228 158 B L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.922 107.8 48.0 -62.3 -39.9 -25.5 17.5 -0.7 229 159 B K H X S+ 0 0 79 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.871 108.1 55.1 -66.6 -37.5 -28.8 15.6 -0.9 230 160 B K H X S+ 0 0 96 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 110.2 45.3 -61.0 -45.2 -30.2 18.2 -3.4 231 161 B I H X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.889 110.2 53.6 -68.4 -38.7 -27.2 17.6 -5.7 232 162 B I H X S+ 0 0 6 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.926 107.9 53.1 -59.4 -40.1 -27.5 13.9 -5.3 233 163 B G H < S+ 0 0 48 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.946 107.0 50.2 -57.4 -50.5 -31.1 14.4 -6.3 234 164 B Q H < S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 122.7 32.0 -58.3 -31.6 -30.1 16.3 -9.5 235 165 B V H >< S+ 0 0 3 -4,-1.7 3,-1.7 -3,-0.2 4,-0.5 0.536 86.1 101.0-108.4 -4.0 -27.7 13.6 -10.5 236 166 B R G >< S+ 0 0 58 -4,-1.7 3,-1.4 -3,-0.5 -1,-0.1 0.847 79.3 57.7 -52.7 -39.4 -29.3 10.4 -9.2 237 167 B D G 3 S+ 0 0 134 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.740 98.0 60.2 -66.3 -25.1 -30.7 9.4 -12.6 238 168 B Q G < S+ 0 0 118 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 0.536 102.9 57.1 -82.9 -9.4 -27.3 9.4 -14.4 239 169 B A < - 0 0 12 -3,-1.4 3,-0.0 -4,-0.5 6,-0.0 -0.956 66.0-151.9-122.8 142.5 -25.9 6.7 -12.1 240 170 B E S S+ 0 0 124 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.917 85.1 53.1 -72.5 -45.1 -27.2 3.2 -11.5 241 171 B H S >> S- 0 0 70 1,-0.1 4,-1.6 0, 0.0 3,-0.9 -0.732 76.9-136.2-102.4 137.6 -25.8 3.0 -8.0 242 172 B L H 3> S+ 0 0 1 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.848 104.0 64.1 -52.6 -36.9 -26.3 5.6 -5.2 243 173 B K H 3> S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.860 103.0 47.7 -62.0 -35.7 -22.6 5.4 -4.3 244 174 B T H <> S+ 0 0 27 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.926 110.5 50.8 -68.7 -45.2 -21.7 6.8 -7.7 245 175 B A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.835 106.9 55.8 -60.0 -37.8 -24.2 9.6 -7.4 246 176 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.937 108.7 46.2 -62.6 -43.3 -22.8 10.4 -4.0 247 177 B Q H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.855 110.2 53.0 -72.6 -32.3 -19.3 10.9 -5.4 248 178 B M H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 110.2 49.7 -62.4 -41.8 -20.6 13.0 -8.3 249 179 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.902 108.8 50.8 -64.7 -41.9 -22.3 15.2 -5.8 250 180 B V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -83,-0.2 0.938 110.8 50.4 -58.2 -46.4 -19.1 15.6 -3.7 251 181 B F H X S+ 0 0 25 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 112.9 45.4 -54.7 -50.9 -17.2 16.5 -6.9 252 182 B I H X S+ 0 0 44 -4,-2.5 4,-1.5 1,-0.2 3,-0.2 0.947 113.4 49.4 -64.5 -46.7 -19.8 19.1 -7.8 253 183 B H H < S+ 0 0 16 -4,-2.9 9,-0.5 1,-0.2 3,-0.2 0.917 114.3 44.3 -56.6 -46.4 -20.0 20.6 -4.3 254 184 B N H < S+ 0 0 1 -4,-2.6 9,-2.3 -5,-0.2 10,-0.4 0.747 118.4 42.4 -75.3 -22.9 -16.2 20.9 -3.9 255 185 B H H < S+ 0 0 63 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.543 82.1 118.2 -96.4 -12.3 -15.6 22.4 -7.4 256 186 B K < 0 0 118 -4,-1.5 6,-0.4 -3,-0.2 7,-0.1 -0.382 360.0 360.0 -64.6 132.2 -18.5 24.8 -7.6 257 187 B R 0 0 179 4,-0.1 4,-0.2 -2,-0.1 -1,-0.1 -0.968 360.0 360.0-113.5 360.0 -17.3 28.4 -7.9 258 ! 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 0.0 259 193 B G 0 0 102 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -7.8 -14.4 33.2 -6.8 260 194 B Y - 0 0 88 4,-0.0 2,-0.2 3,-0.0 -5,-0.0 -0.848 360.0-141.6-110.4 140.2 -13.1 30.2 -4.8 261 195 B S > - 0 0 7 -2,-0.4 4,-2.5 -4,-0.2 3,-0.2 -0.560 33.0-109.4 -84.8 162.6 -14.4 26.7 -4.7 262 196 B A H > S+ 0 0 3 -9,-0.5 4,-2.6 -6,-0.4 -96,-0.3 0.870 120.7 57.4 -59.3 -36.3 -14.4 24.8 -1.4 263 197 B G H > S+ 0 0 20 -9,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.879 108.5 44.0 -63.0 -41.4 -11.6 22.6 -2.8 264 198 B E H > S+ 0 0 26 -10,-0.4 4,-2.2 -3,-0.2 -2,-0.2 0.908 112.6 54.1 -68.7 -37.1 -9.4 25.7 -3.4 265 199 B R H X S+ 0 0 93 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.922 105.5 50.6 -65.7 -44.5 -10.3 27.1 0.0 266 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.945 113.0 46.3 -59.9 -42.8 -9.3 24.0 2.0 267 201 B V H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.860 112.8 49.3 -69.5 -35.6 -5.9 23.8 0.3 268 202 B D H X S+ 0 0 59 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.934 112.7 48.6 -64.6 -45.7 -5.2 27.6 0.7 269 203 B I H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.907 115.5 42.3 -61.0 -46.4 -6.2 27.4 4.4 270 204 B I H X S+ 0 0 5 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.886 113.9 51.2 -71.1 -36.3 -4.0 24.4 5.2 271 205 B A H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 111.0 49.5 -68.9 -38.3 -1.1 25.7 3.1 272 206 B T H < S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.937 109.7 51.2 -64.4 -43.0 -1.3 28.9 5.0 273 207 B D H < 0 0 97 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.917 360.0 360.0 -59.9 -45.1 -1.4 27.1 8.3 274 208 B I < 0 0 68 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.795 360.0 360.0 -53.9 360.0 1.7 25.1 7.4