==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-DEC-09 3L3U . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,D.K.CHALMERS,M.J.SCANLON,M.W.PARKER . 296 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.8 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 . 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 37.2 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 1 2 0 1 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 . 1 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 82 0, 0.0 3,-1.3 0, 0.0 23,-0.3 0.000 360.0 360.0 360.0 138.5 19.0 19.2 26.2 2 58 A P T 3 + 0 0 56 0, 0.0 23,-0.1 0, 0.0 146,-0.0 0.608 360.0 60.0 -58.1 -22.9 17.4 21.4 23.4 3 59 A G T 3 S+ 0 0 1 51,-0.1 53,-2.2 19,-0.0 52,-2.0 0.343 79.8 106.8 -92.5 7.7 20.9 22.8 22.5 4 60 A I E < +a 56 0A 35 -3,-1.3 19,-1.6 51,-0.2 20,-0.5 -0.772 41.6 177.0-102.7 128.6 22.6 19.5 21.6 5 61 A W E -aB 57 22A 0 51,-2.4 53,-2.6 -2,-0.5 2,-0.5 -0.928 22.6-140.3-125.4 145.8 23.4 18.5 18.0 6 62 A Q E -aB 58 21A 15 15,-2.7 15,-2.5 -2,-0.3 2,-0.4 -0.938 21.2-165.8-105.8 124.2 25.2 15.6 16.5 7 63 A L E +aB 59 20A 1 51,-3.0 53,-1.1 -2,-0.5 2,-0.3 -0.961 14.4 160.9-115.0 133.0 27.5 16.4 13.6 8 64 A D E - B 0 19A 20 11,-2.4 11,-2.7 -2,-0.4 2,-0.4 -0.926 30.6-135.4-140.3 163.8 29.0 13.8 11.2 9 65 A C E + B 0 18A 17 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.993 30.3 168.1-120.8 130.8 30.6 13.7 7.8 10 66 A T E - B 0 17A 15 7,-3.0 7,-2.9 -2,-0.4 2,-0.3 -0.751 22.1-133.4-130.1 175.6 29.5 10.9 5.4 11 67 A H E + B 0 16A 89 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.979 19.4 172.9-133.6 152.7 30.0 10.2 1.7 12 68 A L E > S+ B 0 15A 45 3,-2.1 3,-2.5 -2,-0.3 -2,-0.0 -0.960 73.9 1.0-157.1 142.1 27.8 9.1 -1.2 13 69 A E T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.842 131.6 -60.5 49.9 24.4 28.4 8.7 -5.0 14 70 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.655 112.4 121.5 77.1 11.6 31.9 9.9 -4.1 15 71 A K E < -B 12 0A 77 -3,-2.5 -3,-2.1 20,-0.0 2,-0.4 -0.795 63.9-116.0-107.1 156.7 30.7 13.2 -2.7 16 72 A V E -BC 11 33A 17 17,-0.7 17,-2.5 -2,-0.3 2,-0.5 -0.772 29.7-174.7 -96.6 126.8 31.2 14.7 0.8 17 73 A I E -BC 10 32A 1 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.4 -0.988 12.1-155.2-126.8 119.2 28.0 15.3 2.9 18 74 A L E -BC 9 31A 1 13,-2.3 13,-2.1 -2,-0.5 2,-0.4 -0.818 15.7-163.9 -87.0 139.5 28.0 17.0 6.3 19 75 A V E -BC 8 30A 0 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.4 -0.987 10.6-169.8-129.8 129.3 25.0 16.1 8.5 20 76 A A E -BC 7 29A 0 9,-3.0 9,-2.2 -2,-0.4 2,-0.4 -0.992 7.9-169.4-116.2 128.8 23.7 17.9 11.6 21 77 A V E -BC 6 28A 2 -15,-2.5 -15,-2.7 -2,-0.4 2,-0.9 -0.973 22.4-138.4-119.4 127.1 21.0 16.1 13.8 22 78 A H E >> -B 5 0A 0 5,-2.9 4,-2.7 -2,-0.4 3,-0.9 -0.749 23.8-151.1 -81.2 108.5 19.1 17.9 16.6 23 79 A V T 34 S+ 0 0 27 -19,-1.6 68,-0.3 -2,-0.9 -1,-0.2 0.876 86.3 51.6 -61.6 -37.2 19.3 15.0 19.1 24 80 A A T 34 S+ 0 0 28 -20,-0.5 -1,-0.2 -23,-0.3 70,-0.1 0.776 125.4 23.0 -71.4 -24.1 16.0 15.6 21.0 25 81 A S T <4 S- 0 0 9 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.642 93.5-122.7-111.4 -24.6 13.8 15.9 17.8 26 82 A G < + 0 0 2 -4,-2.7 114,-0.2 1,-0.3 -3,-0.1 0.453 57.3 152.1 81.4 1.2 15.5 14.0 15.0 27 83 A Y - 0 0 2 -5,-0.4 -5,-2.9 113,-0.3 2,-0.3 -0.424 25.3-164.8 -59.0 139.8 15.5 17.1 12.9 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.911 23.7-172.2-125.3 155.5 18.3 17.2 10.3 29 85 A E E +C 20 0A 11 -9,-2.2 -9,-3.0 -2,-0.3 2,-0.3 -0.976 19.7 169.1-130.8 155.8 20.1 19.4 8.1 30 86 A A E -C 19 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.985 9.1-176.8-158.9 150.6 22.7 18.2 5.6 31 87 A E E -C 18 0A 21 -13,-2.1 -13,-2.3 -2,-0.3 2,-0.3 -0.976 30.0-116.6-156.2 144.3 24.7 19.4 2.6 32 88 A V E -C 17 0A 28 -2,-0.3 -15,-0.3 -15,-0.2 -21,-0.0 -0.561 34.1-165.2 -69.2 135.9 27.1 18.3 0.0 33 89 A I E -C 16 0A 7 -17,-2.5 -17,-0.7 -2,-0.3 3,-0.1 -0.926 24.9-125.1-120.9 151.9 30.5 20.2 0.5 34 90 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.819 89.7 5.9 -70.6 -28.2 33.2 20.3 -2.3 35 91 A A S S- 0 0 44 2,-0.1 2,-1.8 -20,-0.1 5,-0.1 -0.990 75.8-111.2-156.4 147.4 36.0 19.0 -0.0 36 92 A E + 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.571 65.0 142.1 -83.6 77.5 36.3 17.6 3.5 37 93 A T > - 0 0 57 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.815 64.1-115.8-118.4 158.0 38.2 20.5 5.0 38 94 A G H > S+ 0 0 13 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.894 115.7 54.0 -58.5 -38.0 38.2 22.4 8.3 39 95 A Q H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 109.2 46.1 -66.8 -45.6 37.1 25.5 6.6 40 96 A E H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 114.6 49.1 -62.5 -37.6 34.1 23.9 4.9 41 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.946 111.4 48.7 -68.8 -42.2 33.2 22.2 8.2 42 98 A A H X S+ 0 0 7 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.877 110.4 51.7 -63.3 -43.3 33.5 25.5 10.1 43 99 A Y H X S+ 0 0 22 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.915 109.8 49.2 -61.6 -46.2 31.3 27.3 7.6 44 100 A F H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.906 112.7 47.7 -58.4 -46.1 28.6 24.6 7.9 45 101 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.885 109.6 52.2 -62.2 -43.1 28.7 24.9 11.7 46 102 A L H X S+ 0 0 9 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.870 109.7 49.1 -62.5 -42.5 28.5 28.7 11.6 47 103 A K H >X S+ 0 0 10 -4,-2.1 4,-0.8 2,-0.2 3,-0.7 0.944 112.3 49.0 -58.3 -50.8 25.5 28.6 9.3 48 104 A L H >X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 3,-1.3 0.929 108.4 54.4 -56.6 -43.7 23.8 26.0 11.6 49 105 A A H 3< S+ 0 0 2 -4,-2.7 5,-0.4 1,-0.3 -1,-0.2 0.724 103.1 54.4 -67.7 -26.0 24.6 28.2 14.7 50 106 A G H << S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.645 110.1 48.2 -80.0 -17.6 22.9 31.3 13.3 51 107 A R H << S+ 0 0 9 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.1 0.854 119.8 21.6 -78.6 -48.5 19.6 29.4 12.7 52 108 A W S < S- 0 0 0 -4,-1.7 2,-1.5 -49,-0.0 -1,-0.1 -0.809 88.8 -97.2-124.3 163.5 19.2 27.7 16.0 53 109 A P - 0 0 65 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.635 49.9-173.2 -88.9 89.0 20.4 28.2 19.6 54 110 A V + 0 0 14 -2,-1.5 -50,-0.1 -5,-0.4 -51,-0.1 -0.742 20.9 159.0 -91.3 122.2 23.3 25.7 19.4 55 111 A K + 0 0 104 -52,-2.0 25,-2.7 -2,-0.6 2,-0.4 0.791 63.0 23.2-109.1 -35.7 25.1 25.0 22.7 56 112 A T E -ad 4 80A 16 -53,-2.2 -51,-2.4 23,-0.2 2,-0.4 -1.000 56.7-162.2-140.6 132.6 26.8 21.7 22.3 57 113 A V E -ad 5 81A 1 23,-2.6 25,-2.8 -2,-0.4 2,-0.5 -0.960 4.0-161.2-113.8 133.3 28.0 19.6 19.4 58 114 A H E -ad 6 82A 25 -53,-2.6 -51,-3.0 -2,-0.4 2,-0.3 -0.960 22.0-168.0 -99.4 132.2 28.8 16.0 19.6 59 115 A T E -ad 7 83A 1 23,-1.9 25,-1.8 -2,-0.5 26,-0.5 -0.780 36.7-120.1-120.6 166.3 30.9 14.8 16.7 60 116 A D - 0 0 71 -53,-1.1 3,-0.1 -2,-0.3 -52,-0.1 0.342 51.2-117.7 -80.6 6.6 32.1 11.7 15.2 61 117 A N + 0 0 91 1,-0.2 5,-0.1 21,-0.1 22,-0.1 0.639 56.2 164.1 59.5 19.6 35.7 12.7 15.8 62 118 A G >> - 0 0 21 1,-0.1 3,-1.4 3,-0.1 4,-0.8 -0.261 53.3-106.8 -59.8 155.1 36.4 12.7 12.1 63 119 A S G >4 S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.816 116.7 64.0 -58.2 -33.2 39.6 14.5 11.2 64 120 A N G >4 S+ 0 0 6 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.840 98.7 54.0 -58.1 -35.2 37.7 17.4 9.8 65 121 A F G <4 S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.698 99.8 62.7 -73.8 -17.2 36.2 18.2 13.2 66 122 A T G << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.491 76.7 119.8 -86.4 -3.3 39.7 18.3 14.7 67 123 A S S X> S- 0 0 30 -3,-0.9 4,-2.0 -4,-0.4 3,-0.7 -0.360 71.0-130.1 -58.7 135.3 40.8 21.3 12.5 68 124 A T H 3> S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.766 109.5 62.7 -49.2 -35.2 41.8 24.4 14.4 69 125 A T H 3> S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 103.0 48.1 -66.5 -38.7 39.4 26.3 12.1 70 126 A V H <> S+ 0 0 0 -3,-0.7 4,-2.7 -6,-0.2 5,-0.2 0.931 111.0 50.3 -66.6 -44.9 36.4 24.3 13.5 71 127 A K H X S+ 0 0 123 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.931 110.0 51.3 -59.3 -41.7 37.6 24.9 17.1 72 128 A A H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 110.1 48.7 -61.7 -43.3 37.8 28.7 16.3 73 129 A A H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.925 112.4 48.3 -64.2 -40.4 34.3 28.7 14.9 74 130 A C H X>S+ 0 0 2 -4,-2.7 5,-2.8 1,-0.2 4,-0.8 0.936 112.0 49.4 -66.5 -38.7 32.9 26.8 17.9 75 131 A D H ><5S+ 0 0 101 -4,-2.9 3,-0.8 -5,-0.2 -1,-0.2 0.928 111.5 48.9 -62.2 -47.1 34.7 29.2 20.2 76 132 A W H 3<5S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 115.4 44.1 -56.5 -46.4 33.3 32.2 18.3 77 133 A A H 3<5S- 0 0 12 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.458 112.3-115.8 -82.9 -2.5 29.8 30.8 18.4 78 134 A G T <<5 + 0 0 59 -4,-0.8 2,-0.4 -3,-0.8 -3,-0.2 0.856 62.9 150.9 67.2 37.4 29.9 29.8 22.1 79 135 A I < - 0 0 10 -5,-2.8 2,-0.6 -6,-0.2 -1,-0.2 -0.858 44.3-137.9-102.9 132.8 29.6 26.1 21.2 80 136 A K E -d 56 0A 126 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.5 -0.800 21.8-148.1 -88.7 119.4 31.0 23.4 23.4 81 137 A Q E -d 57 0A 46 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.802 15.7-175.7 -94.2 127.6 32.6 20.7 21.0 82 138 A E E > -d 58 0A 52 -25,-2.8 -23,-1.9 -2,-0.5 3,-1.0 -0.863 9.7-160.9-127.9 91.6 32.5 17.2 22.3 83 139 A D E 3 S+d 59 0A 63 -2,-0.5 -23,-0.2 1,-0.2 -25,-0.0 -0.560 71.6 16.3 -80.3 134.8 34.3 14.8 19.9 84 140 A G T 3 S+ 0 0 48 -25,-1.8 -1,-0.2 -2,-0.3 -24,-0.1 0.640 78.6 137.7 85.4 8.6 33.6 11.1 20.1 85 141 A I < - 0 0 72 -3,-1.0 -1,-0.3 -26,-0.5 -3,-0.1 -0.857 55.1-126.3 -84.4 118.1 30.3 11.3 22.1 86 142 A P - 0 0 88 0, 0.0 2,-0.7 0, 0.0 -26,-0.1 -0.240 11.4-112.3 -72.9 157.6 28.1 8.8 20.3 87 143 A Y + 0 0 37 9,-0.1 -81,-0.0 1,-0.1 -28,-0.0 -0.719 51.6 148.7 -84.7 115.3 24.7 9.4 18.9 88 144 A N - 0 0 98 -2,-0.7 8,-0.1 0, 0.0 -1,-0.1 -0.456 32.9-154.8-150.4 75.3 22.2 7.5 21.0 89 145 A P - 0 0 5 0, 0.0 4,-0.1 0, 0.0 -65,-0.1 -0.254 7.3-164.3 -57.5 138.3 18.9 9.5 21.0 90 146 A Q + 0 0 171 2,-0.1 2,-0.2 -67,-0.0 -66,-0.1 0.660 57.0 101.3 -99.2 -25.7 16.8 8.7 24.0 91 147 A S S > S- 0 0 53 -68,-0.3 3,-1.7 1,-0.1 2,-0.1 -0.473 83.4-106.2 -69.3 135.1 13.5 10.2 22.7 92 148 A Q T 3 S+ 0 0 191 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.331 103.5 19.0 -50.8 126.1 11.0 7.7 21.4 93 149 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.1 -1,-0.2 0.208 84.2 130.3 96.0 -20.0 10.8 7.9 17.7 94 150 A V < - 0 0 14 -3,-1.7 -1,-0.3 -70,-0.1 -68,-0.1 -0.615 63.5-118.2 -76.5 122.6 14.2 9.5 17.0 95 151 A I - 0 0 35 -2,-0.5 3,-0.2 1,-0.1 -1,-0.1 -0.391 21.0-161.4 -64.6 130.7 16.0 7.5 14.4 96 152 A E S S+ 0 0 130 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.788 82.8 53.3 -86.6 -36.2 19.2 6.0 15.5 97 153 A S > + 0 0 78 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.642 67.0 160.9-100.3 80.3 20.9 5.2 12.1 98 154 A M H > + 0 0 9 -2,-1.0 4,-2.9 2,-0.2 5,-0.2 0.866 68.6 52.9 -77.1 -37.1 20.6 8.8 10.5 99 155 A N H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 113.7 47.9 -61.4 -40.3 23.2 8.6 7.7 100 156 A K H > S+ 0 0 162 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.912 112.2 48.5 -64.0 -46.9 21.4 5.3 6.6 101 157 A E H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.972 112.3 48.2 -55.3 -55.0 18.0 7.0 6.8 102 158 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.921 111.8 48.9 -57.4 -47.7 19.2 10.0 4.8 103 159 A K H X S+ 0 0 68 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.867 108.4 54.0 -61.8 -37.1 20.8 7.8 2.1 104 160 A K H X S+ 0 0 96 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.952 111.5 45.3 -62.2 -44.8 17.6 5.7 1.8 105 161 A I H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.6 0.908 107.4 58.3 -68.2 -39.6 15.5 8.8 1.2 106 162 A I H >X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.3 3,-1.0 0.935 104.2 52.4 -54.6 -42.4 18.1 10.2 -1.2 107 163 A G H 3< S+ 0 0 58 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.826 105.4 55.3 -64.8 -28.9 17.6 7.0 -3.3 108 164 A Q H << S+ 0 0 109 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.716 121.1 28.1 -76.0 -18.9 13.8 7.6 -3.3 109 165 A V H X< S+ 0 0 4 -4,-1.1 3,-2.3 -3,-1.0 4,-0.3 0.501 90.2 98.8-115.2 -8.7 14.3 11.2 -4.8 110 166 A R G >< S+ 0 0 60 -4,-2.0 3,-1.5 1,-0.3 -3,-0.1 0.788 76.8 61.6 -55.4 -36.8 17.5 10.9 -6.8 111 167 A D G 3 S+ 0 0 151 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.477 100.1 56.8 -75.0 3.3 15.7 10.4 -10.1 112 168 A Q G < S+ 0 0 110 -3,-2.3 2,-0.4 1,-0.1 -1,-0.3 0.381 98.2 70.7-103.7 -8.5 14.1 13.8 -9.8 113 169 A A < - 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0 0 44 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.562 46.9-172.1 -83.5 84.3 7.2 25.8 6.7 206 110 B V + 0 0 9 -2,-1.8 -50,-0.2 -5,-0.2 3,-0.1 -0.659 20.4 159.8 -83.8 119.7 7.6 28.1 3.7 207 111 B K + 0 0 119 -52,-2.4 25,-3.0 -2,-0.5 2,-0.4 0.771 63.9 21.0-106.2 -42.1 4.3 28.9 2.0 208 112 B T E -fi 156 232C 15 -53,-2.2 -51,-2.6 23,-0.2 2,-0.5 -0.999 57.2-165.5-135.8 131.3 4.9 32.1 0.1 209 113 B V E -fi 157 233C 1 23,-2.6 25,-3.3 -2,-0.4 2,-0.5 -0.970 6.7-159.2-112.8 132.8 8.0 33.8 -1.2 210 114 B H E +fi 158 234C 35 -53,-2.3 -51,-2.5 -2,-0.5 25,-0.2 -0.959 22.3 162.9-104.3 126.9 8.0 37.3 -2.5 211 115 B T - 0 0 4 23,-2.3 -51,-0.1 -2,-0.5 -2,-0.0 -0.772 51.0-106.3-130.3 171.7 11.0 38.2 -4.8 212 116 B D - 0 0 110 -53,-0.4 23,-0.1 -2,-0.2 -52,-0.1 0.413 55.6-116.0 -81.8 12.7 11.6 41.2 -7.4 213 117 B N + 0 0 74 21,-0.2 5,-0.1 1,-0.1 22,-0.1 0.718 56.6 161.1 56.5 21.9 11.1 38.8 -10.3 214 118 B G > - 0 0 25 1,-0.1 3,-2.4 3,-0.1 4,-0.4 -0.316 59.0 -99.1 -52.6 156.4 14.7 39.0 -11.8 215 119 B S G >> S+ 0 0 98 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.811 122.8 64.4 -54.4 -35.7 15.4 36.1 -14.0 216 120 B N G 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -23,-0.2 0.623 104.1 48.5 -67.0 -11.6 17.3 34.3 -11.2 217 121 B F G <4 S+ 0 0 3 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.454 114.4 42.4-100.7 -2.6 14.0 34.1 -9.3 218 122 B T T <4 S+ 0 0 53 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.213 76.1 131.9-134.4 15.6 11.8 32.8 -12.1 219 123 B S S X S- 0 0 35 -4,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.208 70.1-108.9 -66.8 163.4 13.7 30.1 -13.9 220 124 B T H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.858 122.0 52.9 -66.3 -29.2 12.1 26.8 -14.7 221 125 B T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 109.0 49.1 -69.4 -39.8 14.4 25.1 -12.1 222 126 B V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 112.7 49.0 -60.3 -46.4 13.2 27.7 -9.5 223 127 B K H X S+ 0 0 98 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.925 111.5 48.6 -59.2 -43.6 9.6 26.9 -10.5 224 128 B A H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.883 113.5 46.6 -64.8 -40.7 10.3 23.1 -10.2 225 129 B A H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.906 114.1 47.4 -67.5 -47.6 11.9 23.5 -6.8 226 130 B C H X>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-1.0 0.924 113.0 49.0 -61.1 -45.0 9.1 25.8 -5.5 227 131 B D H ><5S+ 0 0 124 -4,-2.8 3,-0.7 -5,-0.3 -2,-0.2 0.938 112.4 47.7 -61.3 -43.5 6.4 23.5 -6.9 228 132 B W H 3<5S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.7 44.6 -64.5 -38.5 8.0 20.4 -5.3 229 133 B A H 3<5S- 0 0 12 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.522 113.8-114.4 -83.2 -10.4 8.4 22.2 -1.9 230 134 B G T <<5 + 0 0 51 -4,-1.0 2,-0.5 -3,-0.7 -3,-0.2 0.797 63.2 150.7 78.1 27.3 4.9 23.7 -1.9 231 135 B I < - 0 0 7 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.3 -0.846 38.4-145.8 -96.0 126.6 6.1 27.2 -2.2 232 136 B K E -i 208 0C 153 -25,-3.0 -23,-2.6 -2,-0.5 2,-0.5 -0.778 17.4-141.4 -86.3 127.2 3.9 29.9 -3.9 233 137 B Q E -i 209 0C 57 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.797 22.2-177.7 -92.4 132.6 6.0 32.5 -5.8 234 138 B E E -i 210 0C 79 -25,-3.3 -23,-2.3 -2,-0.5 -21,-0.2 -0.922 36.8-122.0-131.7 165.8 4.9 36.1 -5.7 235 139 B D 0 0 122 -2,-0.3 -25,-0.1 -25,-0.2 -2,-0.0 0.060 360.0 360.0 -93.6 22.0 6.1 39.2 -7.2 236 140 B G 0 0 54 -27,-0.2 -24,-0.2 -23,-0.0 -1,-0.1 -0.302 360.0 360.0 -73.4 360.0 6.4 40.9 -3.9 237 ! 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 0.0 238 149 B G > 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 35.8 10.4 46.9 1.7 239 150 B V H > + 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.964 360.0 42.5 -73.8 -45.2 11.3 44.5 4.6 240 151 B I H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.3 54.8 -70.7 -33.2 14.0 42.7 2.6 241 152 B E H > S+ 0 0 140 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.924 110.5 45.2 -64.2 -44.1 15.4 46.0 1.2 242 153 B S H X S+ 0 0 84 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.7 52.8 -61.0 -39.4 15.7 47.4 4.7 243 154 B M H X S+ 0 0 19 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.834 99.8 60.7 -70.7 -33.2 17.3 44.0 5.7 244 155 B N H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.944 110.5 42.9 -54.6 -46.6 19.9 44.2 2.9 245 156 B K H X S+ 0 0 162 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.912 114.5 49.0 -68.0 -44.7 21.2 47.4 4.5 246 157 B E H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.927 111.1 50.0 -60.5 -45.5 21.0 46.1 8.0 247 158 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.932 111.4 49.1 -60.4 -44.0 22.9 42.9 7.1 248 159 B K H X S+ 0 0 75 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.888 108.9 53.5 -63.9 -38.0 25.6 45.0 5.4 249 160 B K H X S+ 0 0 115 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.936 111.8 43.9 -60.7 -49.6 25.9 47.2 8.4 250 161 B I H X S+ 0 0 11 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 109.9 55.9 -65.3 -42.5 26.4 44.2 10.7 251 162 B I H X S+ 0 0 2 -4,-2.8 4,-1.1 1,-0.2 3,-0.3 0.932 108.8 49.2 -53.0 -44.9 28.9 42.6 8.2 252 163 B G H < S+ 0 0 54 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.884 109.8 50.8 -57.1 -43.5 30.9 45.9 8.4 253 164 B Q H < S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 122.2 30.6 -68.7 -30.2 30.8 45.8 12.2 254 165 B V H >< S+ 0 0 3 -4,-1.9 3,-2.4 -3,-0.3 -1,-0.2 0.386 87.6 108.6-105.6 2.2 32.1 42.2 12.4 255 166 B R G >< S+ 0 0 57 -4,-1.1 3,-1.2 -3,-0.3 -1,-0.1 0.750 71.7 60.2 -61.1 -31.2 34.2 42.2 9.2 256 167 B D G 3 S+ 0 0 142 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.601 90.1 71.1 -72.1 -8.4 37.5 42.1 11.0 257 168 B Q G < S+ 0 0 107 -3,-2.4 2,-0.3 1,-0.1 -1,-0.2 0.435 104.3 35.1 -90.2 -1.3 36.7 38.9 12.7 258 169 B A < - 0 0 17 -3,-1.2 -1,-0.1 -4,-0.2 6,-0.0 -0.995 64.1-143.3-147.3 147.3 37.0 36.8 9.5 259 170 B E S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.974 85.2 59.2 -68.1 -51.4 39.2 36.8 6.4 260 171 B H S >> S- 0 0 97 1,-0.1 4,-2.0 4,-0.0 3,-0.7 -0.552 75.5-136.5 -91.7 139.0 36.5 35.8 3.9 261 172 B L H 3> S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.873 104.2 62.6 -53.5 -43.0 33.3 37.6 3.3 262 173 B K H 3> S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.897 106.7 45.4 -55.9 -37.1 31.4 34.4 3.2 263 174 B T H <> S+ 0 0 19 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.923 111.0 51.5 -67.6 -47.1 32.4 33.8 6.9 264 175 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.843 105.2 57.8 -60.9 -38.1 31.6 37.4 7.9 265 176 B V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.944 108.2 45.7 -59.1 -44.3 28.1 37.0 6.3 266 177 B Q H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.863 110.3 53.2 -68.9 -36.0 27.4 34.0 8.6 267 178 B M H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.911 110.2 48.6 -59.5 -44.3 28.7 35.9 11.6 268 179 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.882 109.7 51.0 -63.1 -42.8 26.4 38.8 10.8 269 180 B V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 110.7 50.2 -57.8 -45.2 23.4 36.4 10.4 270 181 B F H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 112.9 45.6 -58.3 -51.4 24.2 34.9 13.8 271 182 B I H X S+ 0 0 58 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.941 114.4 47.8 -61.5 -47.1 24.4 38.3 15.4 272 183 B H H < S+ 0 0 34 -4,-2.7 13,-0.5 1,-0.2 -1,-0.2 0.923 115.8 43.6 -58.3 -49.2 21.2 39.5 13.8 273 184 B N H < S+ 0 0 1 -4,-2.7 13,-2.7 1,-0.2 14,-0.4 0.770 119.9 40.0 -72.6 -29.6 19.2 36.4 14.7 274 185 B H H < S+ 0 0 53 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 0.552 83.7 109.8-102.0 -7.3 20.4 36.0 18.3 275 186 B K S < S- 0 0 154 -4,-1.5 10,-0.5 -5,-0.2 2,-0.3 -0.503 70.9-124.4 -73.7 125.4 20.5 39.6 19.5 276 187 B R - 0 0 138 -2,-0.4 2,-0.3 8,-0.2 8,-0.3 -0.535 22.7-134.4 -66.1 128.5 17.8 40.3 22.1 277 188 B K - 0 0 143 6,-2.3 6,-0.2 -2,-0.3 -1,-0.0 -0.645 66.3 -14.0 -80.1 135.0 15.7 43.2 20.9 278 189 B G S S- 0 0 57 -2,-0.3 3,-0.1 4,-0.1 -2,-0.0 -0.240 98.6 -50.5 74.8-156.0 15.0 45.7 23.7 279 190 B G S > S- 0 0 45 1,-0.2 3,-2.4 2,-0.0 2,-0.3 0.124 91.9 -26.0-100.0-152.4 15.5 45.2 27.4 280 191 B I T 3 S+ 0 0 185 1,-0.3 -1,-0.2 -4,-0.0 3,-0.1 -0.583 132.6 39.1 -66.0 120.6 14.6 42.5 29.9 281 192 B G T 3 S+ 0 0 65 1,-0.4 -1,-0.3 -2,-0.3 -3,-0.1 0.098 93.3 120.0 115.1 -11.8 11.5 41.0 28.4 282 193 B G < - 0 0 27 -3,-2.4 -1,-0.4 -6,-0.1 2,-0.3 -0.187 48.6-143.7 -78.5 172.4 12.7 41.1 24.8 283 194 B Y - 0 0 83 -6,-0.2 -6,-2.3 -8,-0.1 2,-0.2 -0.920 12.2-122.2-129.1 153.6 13.2 38.4 22.2 284 195 B S > - 0 0 7 -2,-0.3 4,-2.4 -8,-0.3 -8,-0.2 -0.577 33.7-110.3 -84.1 166.0 15.7 37.7 19.5 285 196 B A H > S+ 0 0 3 -13,-0.5 4,-2.6 -10,-0.5 -106,-0.3 0.892 120.4 56.1 -62.8 -37.8 14.5 37.2 16.0 286 197 B G H > S+ 0 0 9 -13,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.881 108.1 46.9 -60.9 -38.9 15.4 33.5 16.2 287 198 B E H > S+ 0 0 70 -14,-0.4 4,-2.4 2,-0.2 -137,-0.2 0.890 110.4 54.0 -69.1 -37.8 13.2 33.2 19.3 288 199 B R H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.926 107.8 48.3 -61.7 -48.2 10.3 35.0 17.6 289 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.953 114.1 46.1 -61.0 -42.3 10.3 32.8 14.5 290 201 B V H X S+ 0 0 5 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.928 113.3 49.1 -67.2 -41.7 10.3 29.6 16.6 291 202 B D H X S+ 0 0 19 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 112.2 49.6 -61.2 -43.8 7.6 30.9 18.9 292 203 B I H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.930 115.4 42.3 -60.6 -49.4 5.4 31.9 15.9 293 204 B I H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.927 115.1 48.1 -67.3 -44.6 5.8 28.6 14.2 294 205 B A H X S+ 0 0 9 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.909 112.9 49.8 -63.7 -39.6 5.3 26.5 17.4 295 206 B T H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.911 109.7 51.6 -61.2 -43.2 2.2 28.6 18.3 296 207 B D H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 108.0 50.7 -64.7 -41.1 0.8 28.1 14.7 297 208 B I H < 0 0 67 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.919 360.0 360.0 -65.5 -41.1 1.2 24.3 15.0 298 209 B Q < 0 0 184 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.430 360.0 360.0 -62.2 360.0 -0.7 24.4 18.4