==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-12 2YNF . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M\:B_HXB2R; . AUTHOR P.CHONG,P.SEBAHAR,M.YOUNGMAN,D.GARRIDO,H.ZHANG,E.L.STEWART,R . 963 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 2 0.2 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 . 41 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 3 3 1 1 0 1 1 1 0 1 3 2 3 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 1 0 1 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 . 6 2 5 2 3 4 4 0 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 . 4 1 4 3 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 -1 A N 0 0 117 0, 0.0 42,-0.0 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 58.1 -30.8 78.3 36.0 2 0 A S - 0 0 26 1,-0.1 212,-0.0 44,-0.1 111,-0.0 -0.708 360.0 -92.6 -97.2 152.2 -29.7 75.9 33.2 3 1 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 212,-0.1 -0.258 24.7-143.6 -53.2 143.4 -32.0 74.4 30.6 4 2 A I - 0 0 62 210,-0.1 114,-0.2 144,-0.0 113,-0.1 -0.988 34.5-111.8-104.6 121.9 -33.7 70.9 31.1 5 3 A S - 0 0 4 112,-3.6 208,-0.2 -2,-0.5 207,-0.1 -0.141 10.1-144.0 -51.1 137.3 -33.8 69.1 27.7 6 4 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.120 59.8 130.3 -88.9 20.0 -37.2 68.5 26.0 7 5 A I S S- 0 0 15 205,-0.3 156,-0.1 1,-0.1 205,-0.0 -0.437 71.0 -94.1 -63.9 148.6 -35.8 65.2 24.7 8 6 A E - 0 0 169 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.289 44.4-111.7 -62.5 149.8 -38.1 62.2 25.4 9 7 A T - 0 0 42 111,-0.1 111,-0.1 -3,-0.1 -1,-0.1 -0.559 19.2-122.1 -84.2 151.4 -37.4 60.3 28.6 10 8 A V - 0 0 14 109,-0.3 111,-0.5 -2,-0.2 2,-0.1 -0.836 32.0-120.1 -86.3 125.0 -36.0 56.8 28.6 11 9 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 596,-0.1 -0.460 35.6-165.5 -67.5 137.5 -38.4 54.5 30.5 12 10 A V - 0 0 12 -2,-0.1 2,-0.3 72,-0.0 595,-0.0 -0.961 7.0-165.9-132.7 146.0 -36.6 53.0 33.5 13 11 A K - 0 0 139 -2,-0.3 72,-2.6 594,-0.1 2,-0.2 -0.906 23.3-117.4-130.5 154.2 -37.4 50.0 35.9 14 12 A L B -A 84 0A 23 -2,-0.3 70,-0.3 70,-0.3 3,-0.1 -0.538 55.6 -85.1 -74.2 155.7 -36.4 48.5 39.2 15 13 A K > - 0 0 62 68,-2.6 3,-2.2 -2,-0.2 -1,-0.1 -0.382 66.8 -77.5 -63.6 145.2 -35.0 45.0 38.9 16 14 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.050 115.6 10.4 -54.5 139.7 -37.9 42.4 38.9 17 15 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.245 102.2 114.7 81.9 -15.2 -39.4 41.7 42.3 18 16 A M < - 0 0 87 -3,-2.2 -1,-0.2 65,-0.1 2,-0.2 -0.655 51.5-152.5 -94.0 145.6 -37.6 44.6 44.0 19 17 A D - 0 0 73 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.0 -0.618 35.4 -81.3-103.7 168.8 -39.3 47.7 45.5 20 18 A G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.103 58.3 -76.6 -67.3 171.9 -37.7 51.1 45.8 21 19 A P - 0 0 0 0, 0.0 38,-2.0 0, 0.0 -1,-0.1 -0.342 35.0-177.7 -74.3 147.7 -35.3 52.2 48.6 22 20 A K B +b 59 0B 127 36,-0.3 2,-0.5 -2,-0.1 38,-0.2 -0.543 20.1 159.8-141.2 69.7 -36.5 53.1 52.1 23 21 A V - 0 0 47 36,-2.7 2,-0.0 -2,-0.1 56,-0.0 -0.820 40.6-118.1-101.4 131.4 -33.3 54.1 53.9 24 22 A K - 0 0 163 -2,-0.5 2,-0.6 1,-0.1 -1,-0.0 -0.346 22.4-118.9 -72.2 146.1 -33.8 56.2 57.0 25 23 A Q - 0 0 15 36,-0.1 -1,-0.1 35,-0.1 3,-0.1 -0.786 25.0-138.4 -85.1 122.2 -32.4 59.7 57.2 26 24 A W - 0 0 207 -2,-0.6 36,-0.1 36,-0.1 111,-0.1 -0.511 33.3 -92.6 -75.5 144.2 -29.8 60.2 60.0 27 25 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.285 45.3-152.1 -58.9 143.4 -30.0 63.4 62.0 28 26 A L - 0 0 21 106,-0.3 108,-0.5 -3,-0.1 109,-0.2 -0.827 20.0 -98.1-116.9 154.9 -27.8 66.3 60.7 29 27 A T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.346 38.1-113.4 -59.9 152.1 -26.1 69.3 62.3 30 28 A E H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.817 117.4 57.4 -56.0 -37.7 -28.0 72.7 61.9 31 29 A E H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 109.3 44.0 -60.8 -45.2 -25.3 74.0 59.7 32 30 A K H > S+ 0 0 36 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.879 111.9 52.7 -71.7 -38.1 -25.7 71.1 57.3 33 31 A I H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 111.6 47.2 -62.4 -45.3 -29.5 71.4 57.4 34 32 A K H X S+ 0 0 145 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.941 110.5 50.9 -63.5 -47.3 -29.3 75.0 56.5 35 33 A A H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 113.3 47.2 -54.2 -45.0 -26.8 74.4 53.7 36 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.864 106.2 57.5 -67.9 -36.5 -29.2 71.7 52.3 37 35 A V H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 111.1 42.4 -63.1 -41.2 -32.2 73.9 52.6 38 36 A E H X S+ 0 0 123 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.848 113.3 51.1 -78.4 -29.1 -30.7 76.6 50.4 39 37 A I H X S+ 0 0 39 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.934 114.9 44.0 -65.2 -43.7 -29.2 74.2 47.8 40 38 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.916 109.9 54.5 -71.9 -42.2 -32.5 72.5 47.4 41 39 A T H X S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.930 112.2 44.9 -51.7 -49.8 -34.5 75.7 47.3 42 40 A E H X S+ 0 0 105 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.928 113.3 49.3 -65.3 -45.9 -32.3 76.9 44.4 43 41 A M H <>S+ 0 0 15 -4,-2.6 5,-1.4 1,-0.2 6,-0.8 0.844 109.1 54.0 -62.4 -33.3 -32.4 73.5 42.6 44 42 A E H ><5S+ 0 0 79 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.915 105.1 52.5 -68.1 -42.2 -36.2 73.5 43.0 45 43 A K H 3<5S+ 0 0 158 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.5 52.2 -57.0 -37.6 -36.4 77.0 41.3 46 44 A E T 3<5S- 0 0 48 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.419 115.9-117.3 -80.8 0.6 -34.4 75.6 38.4 47 45 A G T < 5S+ 0 0 26 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.395 82.9 119.6 78.5 -2.5 -36.8 72.6 38.0 48 46 A K S - 0 0 12 -2,-0.2 3,-1.1 89,-0.1 89,-0.0 -0.551 40.4 -77.3-121.2-169.1 -44.9 64.7 50.9 54 52 A P T 3 S+ 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.380 110.6 85.8 -75.3 3.6 -45.0 61.5 53.1 55 53 A E T 3 S+ 0 0 152 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.901 79.4 71.2 -59.6 -47.9 -47.5 59.9 50.6 56 54 A N S < S- 0 0 21 -3,-1.1 -4,-0.0 1,-0.1 71,-0.0 -0.645 72.7-166.2 -67.9 122.0 -44.3 58.8 48.8 57 55 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.456 51.4 102.4 -93.4 -0.7 -42.8 56.1 51.1 58 56 A Y + 0 0 25 68,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.420 45.2 177.6 -86.9 155.2 -39.3 55.9 49.5 59 57 A N B -b 22 0B 15 -38,-2.0 -36,-2.7 68,-0.1 71,-0.2 -0.944 18.7-174.8-160.6 142.6 -36.1 57.5 50.9 60 58 A T B -d 130 0C 1 69,-1.2 71,-0.5 -2,-0.3 17,-0.1 -0.993 39.7-104.6-130.4 138.4 -32.4 57.8 50.2 61 59 A P - 0 0 25 0, 0.0 15,-1.8 0, 0.0 2,-0.3 -0.283 31.8-156.4 -69.4 151.6 -30.0 59.5 52.7 62 60 A V E +F 75 0D 4 69,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.918 12.2 177.9-125.5 150.7 -28.7 63.0 52.0 63 61 A F E -F 74 0D 91 11,-2.2 11,-3.0 -2,-0.3 2,-0.4 -0.931 14.7-146.0-144.7 163.6 -25.5 64.7 53.3 64 62 A A E -F 73 0D 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 14.3-180.0-135.5 136.5 -23.7 68.0 53.0 65 63 A I E F 72 0D 53 7,-1.8 7,-2.1 -2,-0.4 -2,-0.0 -0.997 360.0 360.0-134.6 153.2 -20.0 68.8 53.0 66 64 A K 0 0 124 -2,-0.3 5,-0.2 5,-0.2 4,-0.0 -0.801 360.0 360.0 -97.2 360.0 -17.9 72.0 52.7 67 ! 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 68 68 A S 0 0 104 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 157.1 -13.7 76.4 51.5 69 69 A T + 0 0 117 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 0.474 360.0 100.6-113.6 -15.7 -17.0 78.4 51.7 70 70 A K - 0 0 148 -4,-0.0 2,-0.3 1,-0.0 -5,-0.0 -0.592 58.7-152.6 -84.0 126.2 -18.9 76.3 49.1 71 71 A W - 0 0 70 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.768 8.2-161.4 -95.1 144.0 -21.4 73.6 50.4 72 72 A R E -F 65 0D 147 -7,-2.1 -7,-1.8 -2,-0.3 2,-0.4 -0.954 13.9-132.9-124.8 142.5 -22.2 70.6 48.3 73 73 A K E -F 64 0D 30 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.792 20.1-164.1 -91.3 136.6 -25.1 68.2 48.6 74 74 A L E -F 63 0D 74 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.5 -0.982 4.2-166.9-124.3 117.8 -24.3 64.5 48.5 75 75 A V E -F 62 0D 19 -2,-0.5 2,-1.2 -13,-0.2 -13,-0.2 -0.927 15.6-144.1-106.4 130.7 -27.0 61.8 47.9 76 76 A D > + 0 0 61 -15,-1.8 3,-0.6 -2,-0.5 4,-0.2 -0.718 23.1 175.0 -95.4 85.2 -25.9 58.3 48.7 77 77 A F T 3> + 0 0 5 -2,-1.2 4,-2.9 1,-0.2 77,-0.2 0.212 40.0 117.4 -81.0 19.5 -27.7 56.3 45.9 78 78 A R H 3> S+ 0 0 171 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.887 79.3 42.7 -49.9 -44.5 -26.2 52.9 46.9 79 79 A E H <> S+ 0 0 49 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.932 114.2 47.5 -77.8 -46.9 -29.5 51.4 47.7 80 80 A L H >> S+ 0 0 0 -4,-0.2 4,-0.9 1,-0.2 3,-0.5 0.916 111.2 55.7 -52.3 -44.8 -31.5 52.7 44.8 81 81 A N H >< S+ 0 0 38 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.858 103.6 51.8 -61.5 -38.0 -28.6 51.6 42.6 82 82 A K H 3< S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.2 44.3 -65.5 -28.9 -28.8 47.9 43.8 83 83 A R H << S+ 0 0 67 -4,-1.3 -68,-2.6 -3,-0.5 2,-0.3 0.499 94.2 97.0 -95.1 -9.0 -32.5 48.0 43.0 84 84 A T B << S-A 14 0A 0 -4,-0.9 -70,-0.3 -3,-0.5 -72,-0.0 -0.634 80.6-102.6 -85.6 140.8 -32.2 49.7 39.5 85 85 A Q - 0 0 24 -72,-2.6 2,-0.2 -2,-0.3 -1,-0.1 0.013 40.5 -98.8 -48.7 161.6 -32.2 47.7 36.3 86 86 A D - 0 0 58 521,-0.1 2,-0.3 -72,-0.1 -1,-0.1 -0.563 40.0-154.7 -80.0 151.6 -29.0 47.1 34.4 87 87 A F - 0 0 28 -2,-0.2 2,-0.2 522,-0.1 520,-0.2 -0.787 28.5 -86.6-116.6 167.9 -28.3 49.3 31.4 88 88 A W - 0 0 51 518,-2.1 522,-0.1 -2,-0.3 2,-0.1 -0.552 55.1-107.1 -67.5 136.5 -26.2 49.0 28.3 89 89 A E - 0 0 56 -2,-0.2 3,-0.1 520,-0.2 -1,-0.1 -0.391 22.9-139.2 -69.8 147.8 -22.6 50.0 29.0 90 90 A V S S+ 0 0 54 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.990 81.3 28.6 -71.9 -72.4 -21.6 53.4 27.5 91 91 A Q - 0 0 49 1,-0.1 -1,-0.2 603,-0.1 3,-0.1 -0.766 50.5-174.9-100.1 122.8 -18.0 52.9 26.2 92 92 A L S S- 0 0 105 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.353 79.9 -23.3 -89.9 4.4 -16.9 49.5 25.0 93 93 A G S S- 0 0 23 598,-0.1 -1,-0.2 597,-0.1 0, 0.0 -0.906 73.5 -96.6 169.0 172.5 -13.4 50.9 24.6 94 94 A I - 0 0 65 -2,-0.3 598,-0.1 -3,-0.1 597,-0.1 -0.887 40.1-100.1-115.6 147.7 -11.6 54.3 24.0 95 95 A P - 0 0 8 0, 0.0 596,-0.1 0, 0.0 287,-0.1 -0.380 31.4-139.9 -61.3 134.7 -10.5 55.9 20.7 96 96 A H > - 0 0 22 1,-0.1 3,-2.1 286,-0.1 4,-0.4 -0.859 10.1-135.1 -90.7 133.0 -6.8 55.5 20.0 97 97 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 222,-0.3 0.859 104.3 66.2 -51.7 -40.2 -5.1 58.6 18.5 98 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.0 0.667 99.1 56.4 -55.9 -17.1 -3.3 56.5 15.9 99 99 A G G < S+ 0 0 2 -3,-2.1 -1,-0.3 219,-0.1 2,-0.1 0.646 85.4 102.1 -87.3 -18.9 -6.8 55.8 14.6 100 100 A L < - 0 0 33 -3,-1.8 219,-2.6 -4,-0.4 2,-0.4 -0.392 67.1-134.7 -71.8 141.2 -7.8 59.4 14.0 101 101 A K B -g 319 0E 62 217,-0.2 219,-0.1 -2,-0.1 -2,-0.1 -0.837 34.2-103.5 -93.0 134.8 -7.8 60.9 10.5 102 102 A K - 0 0 127 217,-0.5 2,-0.3 -2,-0.4 135,-0.1 -0.265 38.2-166.2 -61.1 135.6 -6.2 64.3 10.3 103 103 A K - 0 0 37 133,-0.2 89,-0.2 1,-0.1 3,-0.1 -0.941 27.9-129.7-120.9 149.9 -8.6 67.3 10.1 104 104 A K S S+ 0 0 73 87,-0.4 2,-0.4 -2,-0.3 88,-0.2 0.886 96.9 18.9 -60.3 -39.9 -7.8 71.0 9.1 105 105 A S E -H 191 0F 15 86,-2.2 86,-2.5 -3,-0.1 2,-0.4 -0.998 66.4-176.3-140.7 138.5 -9.7 72.2 12.2 106 106 A V E -H 190 0F 62 -2,-0.4 2,-0.4 84,-0.2 84,-0.2 -1.000 3.0-170.8-137.0 135.4 -10.8 70.5 15.4 107 107 A T E -H 189 0F 17 82,-3.2 82,-3.3 -2,-0.4 2,-0.5 -0.989 13.8-147.0-130.2 137.7 -12.8 71.8 18.4 108 108 A V E -H 188 0F 12 115,-0.4 2,-0.5 -2,-0.4 115,-0.4 -0.910 14.4-172.5 -99.5 122.5 -13.5 70.3 21.8 109 109 A L E -H 187 0F 0 78,-2.8 78,-3.1 -2,-0.5 2,-0.5 -0.979 5.2-163.4-115.3 113.8 -17.0 71.2 23.2 110 110 A D E -H 186 0F 71 -2,-0.5 2,-0.4 76,-0.2 76,-0.2 -0.862 22.3-125.3 -97.2 129.6 -17.5 70.0 26.8 111 111 A V > - 0 0 4 74,-2.4 3,-0.8 -2,-0.5 2,-0.5 -0.634 21.7-127.5 -83.8 126.8 -21.1 70.0 27.9 112 112 A G T 3 S- 0 0 28 103,-1.6 103,-0.4 -2,-0.4 5,-0.1 -0.619 85.8 -9.6 -79.5 122.2 -21.8 72.0 31.0 113 113 A D T 3> S- 0 0 99 -2,-0.5 4,-0.9 101,-0.1 -1,-0.3 0.965 79.8-172.0 54.0 57.7 -23.7 70.1 33.7 114 114 A A T X4 S+ 0 0 5 -3,-0.8 3,-1.2 1,-0.2 -2,-0.1 0.916 74.0 39.6 -39.6 -63.6 -24.3 67.2 31.4 115 115 A Y G >4 S+ 0 0 38 1,-0.3 3,-1.9 2,-0.2 34,-0.9 0.810 105.4 61.0 -67.3 -43.8 -26.6 65.2 33.6 116 116 A F G 34 S+ 0 0 33 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.643 99.2 59.0 -65.6 -13.6 -28.7 67.9 35.2 117 117 A S G << S+ 0 0 0 -3,-1.2 -112,-3.6 -4,-0.9 -1,-0.3 0.297 90.3 82.2 -94.6 6.6 -30.1 69.0 31.9 118 118 A V S < S- 0 0 3 -3,-1.9 31,-1.9 -114,-0.2 2,-0.1 -0.958 80.0-125.4-114.4 134.8 -31.6 65.6 30.9 119 119 A P B -J 148 0G 16 0, 0.0 2,-0.4 0, 0.0 -109,-0.3 -0.489 16.6-128.2 -83.1 149.0 -35.1 64.7 32.3 120 120 A L - 0 0 0 27,-2.5 5,-0.1 -2,-0.1 -111,-0.1 -0.760 37.8 -90.2 -93.4 136.4 -35.8 61.6 34.3 121 121 A D >> - 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0 0 6 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.870 34.7-173.6-112.3 99.0 -40.7 32.8 -0.1 769 215 B T 0 0 57 -2,-0.7 -102,-0.1 -5,-0.1 -101,-0.1 -0.005 360.0 360.0 -69.2-175.6 -38.2 33.2 -2.9 770 216 B T 0 0 98 -103,-0.0 -105,-0.1 -105,-0.0 -1,-0.0 -0.948 360.0 360.0-152.2 360.0 -34.9 31.2 -3.2 771 ! 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 0.0 772 229 B W 0 0 65 0, 0.0 2,-0.3 0, 0.0 134,-0.0 0.000 360.0 360.0 360.0 -6.7 -17.5 21.7 1.5 773 230 B M - 0 0 83 4,-0.0 4,-0.1 140,-0.0 140,-0.0 -0.971 360.0-123.5-153.4 154.9 -20.6 20.0 -0.1 774 231 B G - 0 0 52 2,-0.5 0, 0.0 -2,-0.3 0, 0.0 -0.053 53.7 -75.0 -78.3-170.0 -21.9 19.5 -3.6 775 232 B Y S S+ 0 0 200 -114,-0.1 -113,-0.5 2,-0.0 2,-0.2 0.979 118.9 20.3 -49.4 -57.1 -25.4 20.6 -4.8 776 233 B E S S- 0 0 22 -115,-0.1 -2,-0.5 2,-0.0 2,-0.3 -0.623 80.5-120.4-111.0 163.6 -27.0 17.8 -2.9 777 234 B L B -F 660 0R 15 -117,-3.3 -117,-2.0 -2,-0.2 -4,-0.0 -0.748 14.7-160.2 -95.0 154.0 -26.0 15.6 -0.0 778 235 B H >> + 0 0 79 -2,-0.3 3,-1.8 -119,-0.2 4,-0.7 -0.665 15.6 171.7-132.8 80.2 -25.8 11.8 -0.5 779 236 B P T 34 S+ 0 0 9 0, 0.0 -121,-0.1 0, 0.0 -1,-0.1 0.648 73.5 66.0 -72.6 -13.9 -25.9 10.3 3.0 780 237 B D T 34 S+ 0 0 85 -123,-0.7 -122,-0.1 -122,-0.2 -124,-0.1 0.652 99.7 57.4 -74.3 -11.6 -26.3 6.7 1.8 781 238 B K T <4 S+ 0 0 69 -3,-1.8 -1,-0.2 -123,-0.2 -123,-0.0 0.794 83.2 98.8 -82.9 -33.1 -22.7 7.2 0.5 782 239 B W < + 0 0 57 -4,-0.7 2,-0.3 113,-0.0 113,-0.0 -0.320 52.7 163.1 -59.1 135.0 -21.3 8.2 3.9 783 240 B T - 0 0 111 111,-0.1 -2,-0.0 1,-0.0 110,-0.0 -0.991 40.0 -64.2-156.1 154.5 -19.6 5.2 5.5 784 241 B V - 0 0 77 -2,-0.3 111,-0.1 1,-0.1 109,-0.0 0.079 31.5-141.3 -38.8 135.3 -17.1 4.4 8.3 785 242 B Q - 0 0 54 109,-0.5 -1,-0.1 3,-0.0 110,-0.1 -0.905 33.5-146.3 -90.3 97.0 -13.5 5.6 8.2 786 243 B P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 68,-0.1 -0.322 15.9-113.3 -66.6 149.2 -11.9 2.4 9.7 787 244 B I - 0 0 9 66,-0.3 2,-0.3 23,-0.0 179,-0.1 -0.711 46.3-155.9 -64.2 128.3 -8.8 2.4 11.9 788 245 B V - 0 0 89 -2,-0.4 179,-0.1 177,-0.2 62,-0.0 -0.882 9.9-144.4-118.8 148.8 -6.4 0.7 9.4 789 246 B L - 0 0 5 -2,-0.3 14,-0.0 57,-0.1 57,-0.0 -0.893 27.2-107.2-111.8 144.3 -3.3 -1.2 10.2 790 247 B P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.222 22.7-144.0 -68.1 159.4 -0.2 -1.2 8.0 791 248 B E + 0 0 150 3,-0.0 2,-0.3 0, 0.0 3,-0.1 -0.998 25.6 173.7-127.1 127.4 0.9 -4.1 5.8 792 249 B K - 0 0 95 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.979 42.3-142.5-140.4 141.3 4.6 -4.8 5.4 793 250 B D S S+ 0 0 116 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.776 99.0 18.7 -71.3 -29.5 6.9 -7.4 3.9 794 251 B S S S- 0 0 75 43,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.996 70.9-149.0-144.8 156.9 9.1 -6.9 7.0 795 252 B W E -I 836 0T 16 41,-0.5 41,-3.5 -2,-0.3 2,-0.2 -0.964 4.7-157.3-127.9 127.1 8.8 -5.5 10.5 796 253 B T E > -I 835 0T 28 -2,-0.4 4,-2.5 39,-0.3 39,-0.2 -0.541 37.2-106.7 -92.3 167.5 11.2 -3.7 12.7 797 254 B V H > S+ 0 0 2 37,-1.9 4,-3.1 34,-0.3 5,-0.2 0.924 124.7 51.7 -52.9 -47.8 11.1 -3.4 16.4 798 255 B N H > S+ 0 0 5 34,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.2 49.9 -58.9 -46.5 10.1 0.2 15.9 799 256 B D H > S+ 0 0 37 33,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.887 113.8 44.9 -56.6 -46.3 7.3 -0.8 13.5 800 257 B I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.917 110.7 53.3 -67.9 -43.9 5.9 -3.4 15.9 801 258 B Q H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.933 110.1 49.4 -54.6 -45.8 6.2 -1.0 18.8 802 259 B K H X S+ 0 0 60 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.854 112.0 47.8 -59.2 -40.9 4.2 1.5 16.7 803 260 B L H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.891 109.5 51.8 -70.9 -41.5 1.6 -1.2 15.9 804 261 B V H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.927 111.7 48.5 -59.5 -44.3 1.2 -2.3 19.6 805 262 B G H X S+ 0 0 3 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.922 112.9 47.0 -59.9 -45.9 0.6 1.3 20.5 806 263 B K H X S+ 0 0 30 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.883 115.9 44.6 -67.9 -38.9 -1.9 1.8 17.8 807 264 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.867 107.0 61.0 -69.0 -39.6 -3.7 -1.4 18.7 808 265 B N H < S+ 0 0 29 -4,-2.9 4,-0.2 -5,-0.2 -2,-0.2 0.919 111.0 38.9 -53.8 -46.9 -3.6 -0.6 22.4 809 266 B W H >X S+ 0 0 13 -4,-1.8 3,-1.2 1,-0.2 4,-0.5 0.845 111.2 57.8 -75.1 -33.7 -5.6 2.5 21.9 810 267 B A H >X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-1.2 0.861 96.9 66.1 -62.1 -31.8 -7.9 0.8 19.4 811 268 B S H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.636 89.5 64.3 -65.1 -16.3 -8.8 -1.7 22.1 812 269 B Q H <4 S+ 0 0 106 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.784 115.0 30.5 -76.4 -26.5 -10.4 1.0 24.2 813 270 B I H << S+ 0 0 12 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.881 123.7 45.8 -91.1 -55.6 -13.1 1.4 21.4 814 271 B Y S >< S- 0 0 21 -4,-2.7 3,-0.8 43,-0.1 -1,-0.2 -0.782 77.3-141.3 -96.9 123.7 -13.2 -2.2 20.0 815 272 B P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.368 81.6 40.4 -73.6 163.7 -13.4 -5.2 22.3 816 273 B G T 3 S+ 0 0 61 1,-0.3 2,-0.2 -5,-0.1 -5,-0.1 0.271 72.6 144.1 86.3 -11.7 -11.4 -8.4 21.5 817 274 B I < - 0 0 19 -3,-0.8 2,-0.4 -6,-0.1 -1,-0.3 -0.454 32.3-163.3 -66.7 128.5 -8.3 -6.5 20.2 818 275 B K + 0 0 131 27,-0.3 31,-0.1 -2,-0.2 4,-0.1 -0.925 30.0 164.4-124.6 139.3 -5.3 -8.6 21.3 819 276 B V > + 0 0 27 -2,-0.4 4,-2.8 2,-0.1 5,-0.2 0.455 50.0 102.1-127.4 -5.9 -1.5 -7.8 21.5 820 277 B R H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 22,-0.1 0.904 86.4 47.2 -49.5 -52.3 0.1 -10.6 23.6 821 278 B Q H > S+ 0 0 78 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.915 113.5 47.4 -60.3 -45.0 1.5 -12.4 20.6 822 279 B L H >> S+ 0 0 1 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.893 110.6 53.3 -62.9 -39.7 3.0 -9.2 19.1 823 280 B C H >< S+ 0 0 8 -4,-2.8 3,-0.6 1,-0.2 -280,-0.5 0.822 98.9 63.0 -66.3 -29.4 4.4 -8.2 22.5 824 281 B K H >< S+ 0 0 54 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.791 97.1 59.2 -65.8 -26.4 6.2 -11.6 22.8 825 282 B L H << S+ 0 0 23 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.836 100.3 56.4 -66.5 -32.6 8.2 -10.6 19.7 826 283 B L T << S+ 0 0 3 -4,-0.7 4,-0.3 -3,-0.6 -282,-0.3 0.252 75.1 135.0 -88.0 13.3 9.6 -7.6 21.4 827 284 B R < + 0 0 130 -3,-0.9 2,-0.2 -284,-0.2 -283,-0.1 -0.357 53.1 32.8 -74.3 144.5 11.2 -9.4 24.5 828 285 B G S S- 0 0 30 -285,-0.2 2,-0.7 1,-0.1 -282,-0.2 -0.532 107.2 -67.9 99.9-177.7 14.7 -8.3 25.4 829 286 B T - 0 0 40 -286,-0.2 -367,-0.2 -2,-0.2 2,-0.1 -0.799 69.6-174.5-112.1 84.3 16.1 -4.8 25.1 830 287 B K - 0 0 51 -2,-0.7 2,-0.2 -4,-0.3 -370,-0.2 -0.436 30.6-106.7 -91.5 152.4 16.3 -4.6 21.3 831 288 B A > - 0 0 20 -371,-0.2 3,-1.0 -2,-0.1 -34,-0.3 -0.504 30.9-128.9 -63.3 140.7 17.7 -2.0 18.8 832 289 B L T 3 S+ 0 0 0 1,-0.2 -34,-2.2 -2,-0.2 -33,-0.3 0.824 106.5 51.6 -66.5 -31.2 14.8 -0.1 17.2 833 290 B T T 3 S+ 0 0 45 -399,-0.2 -1,-0.2 -36,-0.2 2,-0.2 0.479 82.0 118.0 -84.5 -3.2 16.1 -0.8 13.6 834 291 B E < - 0 0 80 -3,-1.0 -37,-1.9 1,-0.1 2,-0.3 -0.477 65.9-127.0 -71.1 130.9 16.4 -4.5 14.2 835 292 B V E -I 796 0T 81 -39,-0.2 -39,-0.3 -2,-0.2 -1,-0.1 -0.589 22.2-162.3 -77.7 137.5 14.2 -6.6 11.9 836 293 B I E -I 795 0T 12 -41,-3.5 -41,-0.5 -2,-0.3 2,-0.3 -0.978 12.3-138.6-124.6 115.5 11.9 -9.1 13.6 837 294 B P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 -43,-0.1 -0.586 27.0-117.9 -72.1 137.0 10.3 -11.9 11.6 838 295 B L - 0 0 34 -2,-0.3 2,-0.1 4,-0.1 -16,-0.1 -0.596 21.9-137.8 -74.7 128.1 6.6 -12.5 12.5 839 296 B T > - 0 0 67 -2,-0.4 4,-2.3 -18,-0.1 5,-0.1 -0.482 28.8-105.2 -74.4 158.0 5.8 -15.9 14.0 840 297 B E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.842 120.9 54.8 -50.3 -41.3 2.6 -17.6 12.8 841 298 B E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.953 109.0 46.0 -61.4 -52.3 0.8 -16.8 16.1 842 299 B A H > S+ 0 0 0 -21,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 109.6 57.8 -56.6 -39.0 1.6 -13.1 15.8 843 300 B E H X S+ 0 0 98 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.924 109.3 42.3 -58.7 -46.7 0.4 -13.3 12.1 844 301 B L H X S+ 0 0 126 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.839 109.6 57.1 -75.4 -31.7 -3.1 -14.6 13.0 845 302 B E H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 -27,-0.3 0.932 109.9 46.4 -59.5 -44.8 -3.4 -12.2 16.0 846 303 B L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.862 111.7 51.3 -65.6 -36.5 -2.9 -9.3 13.5 847 304 B A H X S+ 0 0 49 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.915 111.3 47.2 -65.5 -44.3 -5.4 -10.9 11.0 848 305 B E H X S+ 0 0 53 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.949 113.5 48.1 -62.8 -49.0 -8.0 -11.2 13.8 849 306 B N H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 110.0 52.5 -55.8 -45.1 -7.4 -7.6 14.8 850 307 B R H X S+ 0 0 67 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.914 110.0 48.8 -59.9 -42.9 -7.6 -6.5 11.2 851 308 B E H >X S+ 0 0 49 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.922 108.2 54.0 -62.5 -44.4 -11.0 -8.2 10.8 852 309 B I H >< S+ 0 0 50 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.939 105.0 54.3 -56.3 -46.5 -12.4 -6.7 14.1 853 310 B L H 3< S+ 0 0 5 -4,-2.1 -66,-0.3 1,-0.2 -1,-0.2 0.708 101.2 59.5 -66.2 -21.2 -11.5 -3.2 12.9 854 311 B K H << S+ 0 0 155 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.864 98.9 66.6 -70.1 -38.3 -13.5 -3.7 9.6 855 312 B E S << S- 0 0 52 -4,-1.1 2,-0.0 -3,-0.8 0, 0.0 -0.373 92.5-101.6 -84.2 161.8 -16.8 -4.4 11.4 856 313 B P - 0 0 111 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.169 41.9 -85.8 -81.1 179.4 -18.7 -1.7 13.5 857 314 B V > - 0 0 36 34,-0.2 3,-1.0 -43,-0.1 2,-0.1 -0.756 36.4-136.2 -94.6 117.9 -18.7 -1.4 17.3 858 315 B H T 3 S+ 0 0 167 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.410 82.7 23.0 -62.6 140.0 -21.3 -3.4 19.2 859 316 B G T 3 S+ 0 0 54 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.438 82.2 123.3 92.0 1.8 -23.1 -1.6 21.9 860 317 B V < + 0 0 36 -3,-1.0 2,-0.3 31,-0.1 -1,-0.2 -0.886 32.0 167.1-103.8 119.6 -22.9 2.1 20.9 861 318 B Y - 0 0 177 -2,-0.6 2,-0.2 -3,-0.1 31,-0.0 -0.963 39.0-105.0-132.1 145.4 -26.2 3.9 20.5 862 319 B Y - 0 0 67 -2,-0.3 3,-0.0 30,-0.1 6,-0.0 -0.494 27.9-155.3 -64.1 136.7 -27.2 7.6 20.1 863 320 B D > - 0 0 47 -2,-0.2 3,-2.4 1,-0.1 -1,-0.0 -0.934 4.0-157.2-118.0 106.9 -28.8 9.0 23.3 864 321 B P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.673 91.0 60.2 -57.7 -19.9 -31.2 12.0 22.4 865 322 B S T 3 S+ 0 0 104 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.475 96.7 73.0 -88.5 -3.4 -30.8 13.4 26.0 866 323 B K S < S- 0 0 82 -3,-2.4 2,-0.1 1,-0.0 -3,-0.1 -0.845 84.5-110.5-112.2 149.1 -27.0 13.8 25.7 867 324 B D - 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