==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-DEC-12 4IH5 . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR S.F.HARRIS,M.GHATE . 1114 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 4 0.4 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 . 39 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 399 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 4 5 2 0 2 4 2 2 4 4 4 0 2 2 2 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 12 0 4 4 2 4 2 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 . 0 4 2 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 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 H 0 0 160 0, 0.0 55,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 54.3 -27.4 -15.0 -19.2 2 2 A M B -A 55 0A 70 53,-0.2 53,-0.2 1,-0.1 3,-0.1 -0.498 360.0-137.3 -73.0 137.1 -24.6 -15.2 -16.6 3 3 A S S S+ 0 0 0 51,-2.4 271,-2.7 -2,-0.2 2,-0.3 0.837 87.5 2.8 -58.6 -37.2 -25.0 -13.5 -13.2 4 4 A Y E -B 273 0B 14 269,-0.2 2,-0.3 50,-0.2 269,-0.2 -0.985 56.9-152.7-146.8 157.2 -21.4 -12.3 -13.5 5 5 A T E -B 272 0B 58 267,-1.9 267,-2.3 -2,-0.3 2,-0.3 -0.945 24.4-151.9-125.7 144.8 -18.3 -12.5 -15.8 6 6 A W E -B 271 0B 69 -2,-0.3 265,-0.3 265,-0.2 264,-0.1 -0.919 21.8-160.2-124.0 149.7 -14.9 -12.3 -14.2 7 7 A T - 0 0 78 263,-2.4 264,-0.1 -2,-0.3 3,-0.1 0.643 51.4-108.7 -95.5 -21.5 -11.4 -11.0 -15.4 8 8 A G S S+ 0 0 68 262,-0.6 262,-0.1 1,-0.4 2,-0.1 0.164 75.3 134.3 108.0 -15.1 -9.3 -12.9 -12.8 9 9 A A - 0 0 20 260,-0.4 -1,-0.4 1,-0.1 -2,-0.2 -0.444 59.7-112.9 -65.1 139.2 -8.4 -9.8 -10.8 10 10 A L - 0 0 128 -3,-0.1 2,-0.8 -2,-0.1 258,-0.1 -0.374 16.2-113.8 -75.0 155.4 -8.8 -10.5 -7.1 11 11 A I - 0 0 8 31,-0.2 34,-0.2 253,-0.1 35,-0.1 -0.828 49.2-155.6 -85.5 112.5 -11.4 -9.0 -4.8 12 12 A T - 0 0 8 -2,-0.8 253,-0.5 126,-0.3 128,-0.2 -0.683 9.9-117.6 -98.5 150.1 -9.0 -7.0 -2.6 13 13 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.313 6.6-147.5 -78.8 168.5 -9.2 -5.8 1.0 14 14 A C S S+ 0 0 101 1,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.474 80.4 4.5-107.4 -14.6 -9.1 -2.0 2.0 15 15 A A S S- 0 0 76 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.858 103.5 -52.5-155.2-179.1 -7.3 -2.6 5.4 16 16 A A - 0 0 106 -2,-0.2 2,-0.4 -3,-0.1 -2,-0.1 -0.492 55.1-149.9 -68.5 134.2 -5.8 -5.4 7.6 17 17 A E - 0 0 56 -2,-0.2 2,-0.4 -4,-0.0 24,-0.1 -0.925 7.2-157.9-112.6 138.0 -8.3 -8.3 8.0 18 18 A E + 0 0 84 -2,-0.4 3,-0.0 22,-0.1 20,-0.0 -0.952 16.2 171.6-112.4 132.2 -8.5 -10.6 11.0 19 19 A S + 0 0 33 -2,-0.4 20,-2.1 19,-0.1 2,-0.3 0.693 60.3 75.5-107.8 -31.4 -10.1 -14.1 10.7 20 20 A K B S-F 38 0C 160 18,-0.2 18,-0.2 1,-0.1 15,-0.1 -0.641 97.5 -95.4 -84.2 142.7 -9.3 -15.6 14.1 21 21 A L - 0 0 16 16,-0.9 -1,-0.1 13,-0.4 2,-0.1 -0.341 40.7-128.1 -57.0 116.8 -11.2 -14.4 17.2 22 22 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 374,-0.2 -0.446 24.8-147.1 -66.5 144.7 -9.2 -11.6 19.0 23 23 A I + 0 0 86 373,-0.1 2,-0.2 -2,-0.1 370,-0.0 -0.957 25.3 159.9-119.4 134.2 -8.7 -12.3 22.7 24 24 A N > - 0 0 62 -2,-0.4 3,-0.7 373,-0.0 4,-0.5 -0.670 59.3 -76.9-132.0-169.1 -8.4 -9.8 25.6 25 25 A A T 3 S+ 0 0 107 1,-0.2 4,-0.1 -2,-0.2 371,-0.1 0.642 129.0 48.8 -65.5 -19.2 -8.9 -10.0 29.4 26 26 A L T >> S+ 0 0 62 369,-0.2 3,-0.8 2,-0.1 4,-0.8 0.632 87.3 86.6 -95.0 -18.0 -12.7 -10.1 29.1 27 27 A S H X> S+ 0 0 6 -3,-0.7 4,-2.4 1,-0.2 3,-1.3 0.885 86.0 50.0 -52.6 -54.0 -13.0 -12.9 26.4 28 28 A N H 34 S+ 0 0 67 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.701 99.1 66.1 -63.1 -22.9 -13.0 -16.0 28.7 29 29 A S H <4 S+ 0 0 43 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.841 117.1 27.9 -68.3 -27.5 -15.7 -14.5 30.9 30 30 A L H << S+ 0 0 1 -3,-1.3 2,-0.3 -4,-0.8 -2,-0.2 0.876 132.7 7.3 -94.5 -51.4 -18.0 -14.9 27.9 31 31 A L < - 0 0 1 -4,-2.4 -1,-0.3 459,-0.2 459,-0.2 -0.983 43.0-178.3-145.4 129.5 -16.7 -17.7 25.7 32 32 A R S S+ 0 0 167 457,-1.7 2,-1.7 456,-0.4 457,-0.2 0.710 73.1 77.5 -99.3 -25.2 -14.0 -20.4 26.1 33 33 A H > + 0 0 89 455,-2.1 3,-1.7 1,-0.2 4,-0.2 -0.484 55.4 163.7 -89.0 69.3 -14.1 -22.3 22.8 34 34 A H G > + 0 0 46 -2,-1.7 3,-1.6 1,-0.3 -13,-0.4 0.783 64.9 64.7 -55.6 -39.5 -12.2 -19.6 20.8 35 35 A N G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.613 92.9 65.2 -62.5 -15.9 -11.4 -21.8 17.8 36 36 A M G < S+ 0 0 43 -3,-1.7 111,-2.7 452,-0.1 2,-0.4 0.627 91.4 72.8 -82.5 -15.4 -15.2 -22.1 17.0 37 37 A V E < + G 0 146C 2 -3,-1.6 -16,-0.9 -4,-0.2 2,-0.3 -0.844 59.4 158.7-105.6 136.4 -15.5 -18.3 16.2 38 38 A Y E -FG 20 145C 8 107,-2.2 107,-2.4 -2,-0.4 2,-0.4 -0.972 31.6-132.5-148.6 161.3 -14.1 -16.8 13.0 39 39 A A E - G 0 144C 6 -20,-2.1 105,-0.2 -2,-0.3 2,-0.1 -0.940 27.4-120.1-115.9 142.8 -14.6 -13.8 10.7 40 40 A T - 0 0 4 103,-2.6 2,-0.3 -2,-0.4 -22,-0.1 -0.486 36.5-175.4 -75.0 150.1 -14.9 -14.0 6.9 41 41 A T > - 0 0 13 101,-0.1 3,-1.8 -2,-0.1 112,-0.5 -0.907 44.4 -92.9-137.3 172.5 -12.2 -12.2 4.9 42 42 A S G > S+ 0 0 17 -2,-0.3 3,-2.0 1,-0.3 4,-0.4 0.735 112.0 81.5 -58.6 -21.7 -11.3 -11.4 1.2 43 43 A R G 3 S+ 0 0 213 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.801 96.4 41.8 -54.8 -33.4 -9.2 -14.6 1.3 44 44 A S G X> S+ 0 0 33 -3,-1.8 4,-1.5 1,-0.2 3,-0.9 0.343 84.5 101.7 -96.3 4.3 -12.4 -16.6 0.7 45 45 A A H <> S+ 0 0 2 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.863 75.6 60.7 -57.5 -36.4 -13.9 -14.2 -2.0 46 46 A G H 3> S+ 0 0 30 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 0.829 104.0 48.6 -58.4 -37.0 -12.7 -16.5 -4.8 47 47 A L H <> S+ 0 0 88 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.874 111.4 49.8 -71.0 -39.6 -15.0 -19.3 -3.4 48 48 A R H X S+ 0 0 44 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.926 105.7 57.6 -62.8 -44.3 -17.9 -16.9 -3.2 49 49 A Q H X S+ 0 0 26 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.896 106.8 49.2 -50.7 -45.1 -17.3 -15.8 -6.8 50 50 A K H >< S+ 0 0 157 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.912 111.6 47.7 -61.8 -47.2 -17.7 -19.5 -7.9 51 51 A K H 3< S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.786 113.5 46.8 -64.5 -36.6 -21.0 -20.0 -5.9 52 52 A V H 3< S+ 0 0 12 -4,-2.1 2,-0.7 -5,-0.1 -1,-0.2 0.457 92.9 91.4 -87.2 -5.6 -22.7 -16.7 -7.2 53 53 A T << + 0 0 37 -3,-0.8 2,-0.3 -4,-0.6 -51,-0.1 -0.847 54.6 120.5-100.7 107.2 -21.7 -17.3 -10.9 54 54 A F - 0 0 36 -2,-0.7 -51,-2.4 168,-0.2 2,-0.3 -0.977 61.3 -92.5-158.4 164.9 -24.4 -19.2 -12.9 55 55 A D B -A 2 0A 84 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.604 34.9-148.1 -83.2 139.8 -26.7 -18.9 -15.9 56 56 A R - 0 0 17 -55,-2.0 2,-0.4 -2,-0.3 167,-0.0 -0.968 13.9-175.9-114.8 127.8 -30.3 -17.7 -15.3 57 57 A L - 0 0 121 -2,-0.5 2,-0.4 283,-0.2 286,-0.1 -0.951 7.2-165.6-118.7 137.1 -33.2 -18.9 -17.4 58 58 A Q - 0 0 49 -2,-0.4 2,-0.5 284,-0.1 284,-0.2 -0.990 13.2-173.2-134.7 127.1 -36.7 -17.5 -16.9 59 59 A V - 0 0 92 282,-2.7 2,-0.6 -2,-0.4 284,-0.0 -0.972 15.4-162.0-121.2 112.1 -40.0 -18.7 -18.0 60 60 A L - 0 0 52 -2,-0.5 2,-0.1 282,-0.0 -2,-0.0 -0.863 11.7-179.3-107.4 120.7 -42.9 -16.2 -17.3 61 61 A D > - 0 0 42 -2,-0.6 4,-1.8 1,-0.0 3,-0.2 -0.328 45.3 -85.4-106.4-173.2 -46.5 -17.4 -17.3 62 62 A D H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 122.5 58.9 -65.1 -36.0 -49.9 -15.9 -16.8 63 63 A H H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 107.9 48.3 -59.5 -40.3 -49.8 -16.3 -13.0 64 64 A Y H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 113.9 44.3 -63.1 -52.1 -46.7 -14.0 -13.0 65 65 A R H X S+ 0 0 115 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.865 112.6 53.1 -65.1 -35.6 -48.2 -11.3 -15.3 66 66 A D H X S+ 0 0 78 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.913 111.4 44.8 -63.5 -48.2 -51.6 -11.4 -13.3 67 67 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.938 113.3 51.8 -61.8 -45.6 -49.8 -10.9 -9.9 68 68 A L H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 106.6 52.9 -58.2 -44.0 -47.6 -8.1 -11.5 69 69 A K H X S+ 0 0 151 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.910 110.7 47.7 -59.9 -40.2 -50.7 -6.3 -12.9 70 70 A E H X S+ 0 0 65 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.898 111.1 50.9 -64.4 -42.5 -52.3 -6.3 -9.3 71 71 A M H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.896 110.0 49.4 -62.0 -43.3 -49.0 -5.0 -7.8 72 72 A K H X S+ 0 0 69 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.827 106.2 57.1 -65.1 -36.8 -48.9 -2.2 -10.4 73 73 A A H < S+ 0 0 25 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.919 111.9 41.5 -60.7 -43.2 -52.5 -1.2 -9.6 74 74 A K H >< S+ 0 0 57 -4,-1.8 3,-1.9 1,-0.2 4,-0.2 0.925 112.3 55.1 -70.1 -40.6 -51.6 -0.8 -5.9 75 75 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.784 95.5 68.0 -62.0 -30.6 -48.3 1.0 -6.8 76 76 A S T 3< S+ 0 0 52 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 92.0 61.0 -66.3 -13.3 -50.3 3.5 -8.9 77 77 A T T < S+ 0 0 16 -3,-1.9 507,-2.8 -4,-0.2 508,-0.5 0.552 84.9 101.2 -87.9 -8.2 -51.8 4.9 -5.6 78 78 A V < - 0 0 6 -3,-1.6 162,-2.9 -4,-0.2 2,-0.5 -0.612 53.0-164.9 -82.1 138.6 -48.4 6.0 -4.2 79 79 A K B -h 240 0D 86 -2,-0.3 2,-0.4 503,-0.3 162,-0.2 -0.981 13.8-172.7-117.2 123.1 -47.2 9.6 -4.4 80 80 A A - 0 0 8 160,-2.4 162,-0.4 -2,-0.5 2,-0.3 -0.943 10.7-142.9-122.2 144.7 -43.5 10.0 -3.8 81 81 A K - 0 0 127 -2,-0.4 92,-0.5 160,-0.1 2,-0.3 -0.730 17.9-118.0-102.3 154.2 -41.4 13.1 -3.3 82 82 A L - 0 0 52 -2,-0.3 2,-0.3 91,-0.1 88,-0.2 -0.672 31.1-132.1 -79.9 141.1 -37.9 14.0 -4.4 83 83 A L - 0 0 14 86,-2.0 2,-0.1 -2,-0.3 89,-0.0 -0.686 21.4-115.5 -89.8 150.2 -35.6 14.7 -1.5 84 84 A S > - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.433 30.9-105.8 -74.2 163.1 -33.4 17.8 -1.7 85 85 A V H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.928 123.8 51.3 -54.3 -44.7 -29.6 17.3 -1.8 86 86 A E H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 107.8 49.9 -62.2 -42.2 -29.5 18.4 1.8 87 87 A E H > S+ 0 0 98 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.912 113.9 46.3 -63.2 -43.2 -32.2 16.0 3.0 88 88 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.905 108.5 56.7 -67.6 -39.9 -30.4 13.1 1.2 89 89 A C H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.898 102.4 54.7 -56.4 -43.2 -27.0 14.2 2.7 90 90 A K H 3< S+ 0 0 103 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.629 100.0 61.2 -69.6 -13.8 -28.4 14.0 6.3 91 91 A L T << S+ 0 0 22 -3,-1.3 466,-1.9 -4,-0.5 -1,-0.3 0.440 82.1 108.2 -86.9 -2.9 -29.4 10.3 5.6 92 92 A T S < S- 0 0 0 -3,-1.7 464,-0.1 -4,-0.3 463,-0.1 -0.633 77.2-117.9 -80.2 128.4 -25.7 9.4 5.0 93 93 A P > - 0 0 14 0, 0.0 3,-2.0 0, 0.0 16,-0.1 -0.344 21.6-123.5 -62.4 138.4 -24.0 7.3 7.7 94 94 A P T 3 S+ 0 0 21 0, 0.0 12,-0.2 0, 0.0 11,-0.1 0.773 112.3 40.5 -54.5 -28.4 -21.1 9.3 9.4 95 95 A H T 3 S+ 0 0 143 10,-0.1 3,-0.1 305,-0.1 -3,-0.0 0.071 84.0 141.7-109.8 26.4 -18.6 6.4 8.5 96 96 A S < - 0 0 14 -3,-2.0 9,-0.7 1,-0.1 10,-0.1 -0.293 68.4 -79.8 -64.6 145.0 -20.0 5.7 4.9 97 97 A A - 0 0 46 7,-0.1 -1,-0.1 1,-0.1 64,-0.1 -0.234 55.0-113.3 -52.1 130.0 -17.3 4.9 2.3 98 98 A K - 0 0 166 -3,-0.1 6,-0.2 1,-0.1 63,-0.2 -0.258 31.0-100.6 -65.4 155.6 -15.7 8.1 1.0 99 99 A S > - 0 0 5 4,-2.2 3,-0.7 61,-0.1 4,-0.4 -0.426 15.5-132.9 -71.6 153.4 -16.1 9.3 -2.6 100 100 A K T 3 S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.548 101.7 72.6 -75.3 -12.1 -13.3 8.7 -5.2 101 101 A F T 3 S- 0 0 124 2,-0.2 -1,-0.2 14,-0.0 3,-0.1 0.046 122.6 -85.0-100.0 26.5 -13.7 12.4 -6.1 102 102 A G S < S+ 0 0 44 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.761 95.1 85.2 83.0 32.7 -12.1 13.9 -3.0 103 103 A Y - 0 0 7 -4,-0.4 -4,-2.2 11,-0.1 -1,-0.2 -0.971 53.6-149.7-153.9 155.3 -14.8 14.1 -0.2 104 104 A G > - 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0 0 78 132,-0.5 131,-2.8 -2,-0.5 2,-0.4 -0.892 7.4-154.8-102.5 112.2 -78.1 20.2 22.6 776 221 B T B > -E 905 0N 5 -2,-0.6 3,-0.7 97,-0.5 2,-0.4 -0.719 25.9-114.5 -83.7 137.1 -77.0 19.1 26.1 777 222 B R T 3 S- 0 0 112 127,-2.4 5,-0.1 -2,-0.4 -1,-0.0 -0.629 88.6 -19.5 -74.9 123.3 -73.4 20.1 26.8 778 223 B C T >> S- 0 0 37 -2,-0.4 3,-1.0 3,-0.1 4,-0.9 0.913 78.9-166.5 44.0 58.8 -71.1 16.9 27.2 779 224 B F H X> S+ 0 0 2 -3,-0.7 3,-1.1 1,-0.2 4,-0.8 0.828 78.3 56.2 -44.2 -49.0 -74.2 14.7 27.8 780 225 B D H >4 S+ 0 0 39 1,-0.3 55,-1.9 2,-0.2 3,-0.7 0.870 107.8 49.5 -55.6 -38.7 -72.3 11.6 29.2 781 226 B S H <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.670 105.9 57.4 -74.3 -18.5 -70.6 13.7 31.9 782 227 B T H << S+ 0 0 0 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.2 0.623 81.5 102.7 -81.8 -18.7 -74.1 15.2 32.9 783 228 B V << - 0 0 0 -4,-0.8 52,-0.3 -3,-0.7 2,-0.1 -0.578 62.3-159.7 -71.5 120.9 -75.4 11.6 33.6 784 229 B T > - 0 0 11 -2,-0.4 4,-1.9 50,-0.1 5,-0.2 -0.475 33.6-101.5 -96.9 172.7 -75.4 11.1 37.4 785 230 B E H > S+ 0 0 95 1,-0.2 4,-2.4 48,-0.2 5,-0.2 0.904 124.9 55.8 -58.7 -41.3 -75.5 8.1 39.7 786 231 B N H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 106.8 50.0 -54.2 -50.6 -79.2 8.8 40.2 787 232 B D H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 111.4 47.1 -57.9 -42.8 -79.8 8.7 36.4 788 233 B I H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.865 113.3 47.9 -70.1 -38.5 -77.9 5.3 36.0 789 234 B R H X S+ 0 0 89 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.862 110.6 52.7 -67.6 -38.0 -79.8 3.8 39.0 790 235 B V H X S+ 0 0 15 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.919 108.3 51.2 -62.2 -42.2 -83.1 5.1 37.5 791 236 B E H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 109.5 50.2 -58.6 -47.5 -82.1 3.4 34.1 792 237 B E H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.909 106.8 54.1 -59.4 -41.4 -81.5 0.1 36.0 793 238 B S H X S+ 0 0 38 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.859 109.2 49.3 -63.1 -32.6 -85.0 0.4 37.7 794 239 B I H >< S+ 0 0 2 -4,-1.9 3,-1.3 2,-0.2 4,-0.4 0.941 111.0 48.7 -67.8 -48.5 -86.5 0.7 34.2 795 240 B Y H >< S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.886 107.3 57.0 -57.2 -40.8 -84.6 -2.4 33.0 796 241 B Q H 3< S+ 0 0 42 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.615 90.8 71.5 -69.0 -13.8 -85.8 -4.3 36.2 797 242 B C T << S+ 0 0 38 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.728 82.8 95.5 -69.7 -24.3 -89.5 -3.6 35.2 798 243 B C S < S- 0 0 0 -3,-1.4 2,-0.8 -4,-0.4 -160,-0.2 -0.238 92.6-105.4 -61.6 159.4 -89.0 -6.2 32.4 799 244 B D B +z 638 0L 87 -162,-2.9 -160,-2.4 -164,-0.0 2,-0.3 -0.810 61.1 166.7 -85.7 108.3 -90.0 -9.8 32.7 800 245 B L - 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0 0 61 -2,-0.4 3,-2.3 -13,-0.3 4,-0.2 -0.787 18.4-137.5 -89.5 126.3 -69.7 -5.5 -0.2 1011 456 B P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -16,-0.2 0.826 102.2 67.7 -51.9 -31.1 -69.8 -2.3 -2.3 1012 457 B L G 3 S+ 0 0 10 -18,-1.6 4,-0.2 1,-0.3 -17,-0.1 0.711 94.8 57.9 -60.3 -23.9 -71.3 -4.3 -5.2 1013 458 B D G <> S+ 0 0 41 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.452 76.8 99.2 -85.9 -2.9 -74.4 -4.8 -3.0 1014 459 B L H <> S+ 0 0 0 -3,-2.0 4,-3.1 -4,-0.2 5,-0.3 0.842 76.3 54.9 -55.2 -42.1 -75.0 -1.0 -2.7 1015 460 B P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.938 113.1 43.4 -59.3 -43.1 -77.8 -0.7 -5.4 1016 461 B Q H > S+ 0 0 6 -3,-0.3 4,-2.3 -4,-0.2 -2,-0.2 0.895 116.0 47.9 -65.5 -44.4 -79.9 -3.5 -3.7 1017 462 B I H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.933 113.8 47.0 -62.3 -48.4 -79.2 -1.9 -0.1 1018 463 B I H X>S+ 0 0 1 -4,-3.1 4,-3.1 2,-0.2 5,-0.8 0.913 110.8 51.8 -62.4 -44.2 -80.1 1.6 -1.4 1019 464 B E H X5S+ 0 0 33 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.949 112.2 46.6 -57.1 -49.6 -83.3 0.3 -3.1 1020 465 B R H <5S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 121.7 35.7 -59.6 -42.4 -84.5 -1.4 0.1 1021 466 B L H <5S+ 0 0 18 -4,-2.2 -268,-0.4 -5,-0.1 -2,-0.2 0.843 136.6 14.3 -80.0 -44.3 -83.7 1.6 2.4 1022 467 B H H <5S- 0 0 31 -4,-3.1 3,-0.2 -5,-0.2 -3,-0.2 0.548 99.4-124.4-112.0 -15.4 -84.6 4.6 0.2 1023 468 B G ><< - 0 0 28 -4,-1.8 3,-1.6 -5,-0.8 4,-0.2 -0.043 44.1 -63.5 85.9 168.7 -86.6 3.2 -2.7 1024 469 B L G > S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.703 123.4 77.3 -61.8 -22.6 -85.9 3.6 -6.5 1025 470 B S G >> S+ 0 0 42 1,-0.3 3,-1.6 -3,-0.2 4,-1.3 0.755 79.0 71.2 -60.7 -25.3 -86.4 7.4 -6.2 1026 471 B A G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.710 100.2 47.3 -62.7 -21.9 -82.9 7.7 -4.6 1027 472 B F G <4 S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.427 117.6 42.6 -95.3 -3.5 -81.5 6.9 -8.1 1028 473 B S T <4 S+ 0 0 34 -3,-1.6 -2,-0.2 -4,-0.2 -3,-0.1 0.459 77.4 130.4-122.3 -8.1 -83.8 9.4 -9.8 1029 474 B L < + 0 0 6 -4,-1.3 2,-0.2 -99,-0.1 -99,-0.2 -0.227 26.0 149.6 -55.6 140.8 -83.8 12.5 -7.6 1030 475 B H B +H 929 0O 80 -101,-2.3 -101,-3.2 1,-0.2 -2,-0.1 -0.885 38.8 58.8-157.2 179.4 -83.1 15.9 -9.3 1031 476 B S S S- 0 0 78 -2,-0.2 -1,-0.2 -103,-0.2 -101,-0.0 0.957 70.3-166.5 50.3 58.4 -84.0 19.6 -9.0 1032 477 B Y - 0 0 22 -104,-0.2 -104,-0.2 1,-0.1 -1,-0.1 -0.286 30.4 -83.0 -68.3 159.5 -82.4 19.8 -5.5 1033 478 B S > - 0 0 19 -106,-0.7 4,-2.8 1,-0.1 5,-0.2 -0.330 29.3-123.7 -67.9 145.7 -83.2 23.0 -3.4 1034 479 B P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.844 114.6 54.5 -58.7 -30.8 -81.1 26.2 -4.0 1035 480 B G H > S+ 0 0 51 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.918 111.1 43.8 -65.6 -43.8 -80.2 26.1 -0.3 1036 481 B E H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.948 114.0 49.2 -68.4 -48.7 -78.9 22.5 -0.5 1037 482 B I H X S+ 0 0 66 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.921 113.1 48.4 -56.4 -46.8 -77.0 23.2 -3.8 1038 483 B N H X S+ 0 0 102 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.890 110.1 50.0 -65.5 -38.4 -75.4 26.3 -2.3 1039 484 B R H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.926 114.8 45.2 -65.1 -44.3 -74.4 24.6 0.9 1040 485 B V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.2 0.987 115.1 46.2 -61.2 -56.2 -72.7 21.7 -1.1 1041 486 B A H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.870 113.4 50.6 -54.4 -38.6 -71.0 24.1 -3.6 1042 487 B S H X S+ 0 0 62 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.894 108.8 51.5 -66.6 -42.6 -69.8 26.3 -0.6 1043 488 B C H X S+ 0 0 1 -4,-2.3 4,-2.1 -3,-0.2 -1,-0.2 0.886 108.3 52.7 -60.2 -41.2 -68.4 23.2 1.2 1044 489 B L H X>S+ 0 0 4 -4,-2.2 5,-2.9 2,-0.2 4,-1.2 0.924 109.8 46.6 -63.7 -43.5 -66.5 22.2 -2.0 1045 490 B R H <5S+ 0 0 171 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.913 111.3 53.9 -64.8 -40.0 -64.8 25.7 -2.3 1046 491 B K H <5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.8 33.8 -58.5 -48.1 -63.9 25.6 1.4 1047 492 B L H <5S- 0 0 0 -4,-2.1 -455,-2.1 -5,-0.1 -456,-0.3 0.524 110.6-114.4 -87.1 -9.6 -62.2 22.2 1.2 1048 493 B G T <5 + 0 0 15 -4,-1.2 -457,-1.7 -3,-0.3 -3,-0.2 0.878 60.2 157.8 74.1 36.2 -60.7 22.6 -2.3 1049 494 B V < - 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