==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-AUG-12 4GMC . COMPND 2 MOLECULE: NS5B POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.COULOMBE . 1100 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 10.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 46 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.5 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 1 0 4 3 2 3 2 2 6 0 3 2 1 0 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 15 1 5 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 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 S 0 0 57 0, 0.0 55,-1.5 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 164.8 -6.2 44.5 5.8 2 2 A M B -A 55 0A 73 53,-0.2 53,-0.2 1,-0.2 3,-0.1 -0.377 360.0-143.2 -60.4 131.6 -6.7 47.9 7.1 3 3 A S S S+ 0 0 0 51,-2.5 272,-2.6 1,-0.2 2,-0.3 0.876 85.5 12.8 -62.4 -35.5 -9.7 47.9 9.5 4 4 A Y E -B 274 0B 16 50,-0.2 2,-0.4 270,-0.2 270,-0.2 -0.963 59.5-163.3-142.3 157.2 -10.5 51.4 8.0 5 5 A T E -B 273 0B 58 268,-1.4 268,-2.5 -2,-0.3 2,-0.4 -0.994 17.2-153.0-138.7 133.0 -9.6 53.7 5.2 6 6 A W E -B 272 0B 64 -2,-0.4 266,-0.3 266,-0.3 265,-0.1 -0.902 19.1-159.2-118.5 140.6 -10.4 57.4 5.2 7 7 A T - 0 0 82 264,-2.5 265,-0.2 -2,-0.4 -1,-0.1 0.840 56.4-105.0 -77.1 -35.3 -11.0 59.8 2.3 8 8 A G S S+ 0 0 56 263,-0.7 263,-0.1 1,-0.5 264,-0.1 0.006 80.4 126.5 132.2 -26.4 -10.2 62.8 4.6 9 9 A A - 0 0 29 261,-0.5 -1,-0.5 1,-0.1 2,-0.2 -0.221 61.7-108.6 -59.1 152.3 -13.8 64.0 5.1 10 10 A L - 0 0 120 -3,-0.1 2,-0.7 1,-0.1 259,-0.1 -0.548 16.9-112.1 -92.6 150.7 -14.8 64.5 8.7 11 11 A I - 0 0 9 -2,-0.2 34,-0.2 31,-0.1 35,-0.1 -0.681 51.8-163.7 -74.1 117.2 -17.1 62.5 10.9 12 12 A T - 0 0 14 -2,-0.7 254,-0.5 126,-0.3 128,-0.3 -0.700 17.1-128.7-112.0 160.5 -19.8 65.1 11.4 13 13 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.601 6.9-146.2 -98.2 161.1 -22.8 65.8 13.7 14 14 A C S S+ 0 0 107 -2,-0.2 2,-0.1 1,-0.1 3,-0.1 0.912 81.4 13.0 -88.0 -67.2 -26.4 66.6 12.7 15 15 A A S S- 0 0 78 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.409 103.3 -63.3-101.6 178.5 -27.4 68.9 15.5 16 16 A A - 0 0 87 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.035 47.8-132.2 -56.3 164.0 -25.5 70.7 18.2 17 17 A E - 0 0 52 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.947 6.6-150.4-131.3 113.3 -23.6 68.7 20.8 18 18 A E + 0 0 87 -2,-0.5 3,-0.1 1,-0.2 20,-0.0 -0.658 25.5 162.9 -78.6 130.6 -23.9 69.4 24.5 19 19 A S + 0 0 22 -2,-0.4 20,-1.1 19,-0.1 2,-0.3 0.609 50.9 72.7-120.9 -26.6 -20.6 68.4 26.2 20 20 A K B S-F 38 0C 154 18,-0.2 18,-0.2 1,-0.0 15,-0.1 -0.726 83.2-115.0 -98.2 143.6 -20.8 70.2 29.5 21 21 A L - 0 0 9 16,-0.9 16,-0.1 13,-0.6 373,-0.1 -0.650 39.0-122.8 -76.0 119.5 -23.0 69.3 32.4 22 22 A P - 0 0 38 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.044 17.7-110.7 -58.0 162.6 -25.5 72.2 33.0 23 23 A I + 0 0 137 374,-0.1 3,-0.1 4,-0.0 9,-0.0 -0.678 56.5 162.0 -98.0 77.1 -25.9 74.0 36.4 24 24 A N > - 0 0 43 -2,-1.2 4,-2.7 1,-0.1 5,-0.2 -0.830 43.5-139.1-103.5 133.9 -29.3 72.6 37.2 25 25 A P H > S+ 0 0 98 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.913 103.8 50.7 -55.3 -43.8 -30.8 72.7 40.8 26 26 A L H 4 S+ 0 0 67 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.895 116.4 38.5 -61.3 -45.7 -32.2 69.1 40.4 27 27 A S H >> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 3,-1.3 0.823 110.2 63.4 -75.2 -30.6 -29.0 67.5 39.2 28 28 A N H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 92.2 60.4 -68.0 -23.6 -26.9 69.6 41.6 29 29 A S T 3< S+ 0 0 40 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.668 113.6 42.3 -76.6 -11.7 -28.5 68.1 44.7 30 30 A L T <4 S+ 0 0 1 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.829 130.3 10.2 -98.0 -44.1 -27.1 64.9 43.3 31 31 A L < - 0 0 3 -4,-2.1 460,-0.2 460,-0.2 -1,-0.2 -0.867 55.4-177.1-146.7 106.5 -23.6 65.8 42.1 32 32 A R S S+ 0 0 114 458,-2.6 2,-2.2 -2,-0.3 458,-0.2 0.841 73.2 73.9 -72.8 -37.4 -22.0 69.1 42.9 33 33 A H > + 0 0 89 456,-1.6 3,-2.0 1,-0.2 -1,-0.2 -0.355 57.8 161.2 -77.9 61.1 -18.7 68.8 40.9 34 34 A H G > + 0 0 39 -2,-2.2 3,-1.3 1,-0.3 -13,-0.6 0.690 61.3 69.7 -57.2 -23.7 -20.4 69.3 37.5 35 35 A N G 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.530 90.8 62.2 -75.5 -2.6 -17.2 70.2 35.7 36 36 A M G < S+ 0 0 44 -3,-2.0 111,-2.3 453,-0.2 2,-0.6 0.488 89.4 82.4 -97.2 -3.2 -16.0 66.6 36.1 37 37 A V E < + G 0 146C 3 -3,-1.3 -16,-0.9 109,-0.2 2,-0.3 -0.899 58.3 160.8-105.4 115.8 -18.9 65.3 34.0 38 38 A Y E -FG 20 145C 6 107,-2.4 107,-2.4 -2,-0.6 2,-0.4 -0.806 29.6-138.5-128.5 171.4 -18.5 65.5 30.2 39 39 A A E - G 0 144C 4 -20,-1.1 105,-0.2 -2,-0.3 115,-0.1 -0.996 26.0-116.8-131.1 134.6 -20.0 63.9 27.1 40 40 A T - 0 0 5 103,-2.5 2,-0.3 -2,-0.4 -22,-0.1 -0.329 37.0-178.1 -66.2 153.6 -18.1 62.8 24.1 41 41 A T > - 0 0 9 101,-0.1 3,-1.7 -24,-0.0 113,-0.5 -0.884 46.0 -90.8-143.6 174.0 -18.8 64.6 20.8 42 42 A S G > S+ 0 0 15 1,-0.3 3,-2.6 -2,-0.3 4,-0.5 0.791 110.8 84.0 -60.6 -26.4 -17.7 64.4 17.2 43 43 A R G 3 S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.668 96.5 39.9 -52.2 -17.9 -15.0 66.9 18.1 44 44 A S G X> S+ 0 0 21 -3,-1.7 3,-1.2 1,-0.1 4,-1.1 0.384 82.2 104.8-112.9 3.5 -12.9 64.0 19.3 45 45 A A H X> S+ 0 0 3 -3,-2.6 4,-2.5 1,-0.3 3,-0.8 0.887 73.0 64.9 -47.5 -47.2 -13.8 61.5 16.5 46 46 A S H 3> S+ 0 0 82 -4,-0.5 4,-2.0 1,-0.3 -1,-0.3 0.858 99.8 51.7 -44.1 -45.2 -10.4 62.1 15.0 47 47 A L H <> S+ 0 0 114 -3,-1.2 4,-0.8 1,-0.2 -1,-0.3 0.854 109.8 48.1 -64.5 -37.6 -8.7 60.6 18.0 48 48 A R H - 0 0 47 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.865 42.5 -86.6-145.1 178.0 -4.5 26.9 13.4 62 62 A D H > S+ 0 0 107 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 123.4 56.4 -55.4 -42.6 -5.8 23.4 14.2 63 63 A H H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.944 108.6 47.9 -55.8 -47.4 -7.1 24.5 17.6 64 64 A Y H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 114.1 46.0 -58.1 -49.4 -9.1 27.2 15.9 65 65 A R H X S+ 0 0 90 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.803 110.6 52.3 -68.3 -29.2 -10.5 24.8 13.3 66 66 A D H X S+ 0 0 72 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.967 111.9 46.3 -70.3 -48.3 -11.3 22.1 15.8 67 67 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.881 111.3 52.8 -59.5 -38.5 -13.3 24.6 17.9 68 68 A L H X S+ 0 0 13 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.913 108.6 49.6 -64.0 -41.9 -15.0 25.9 14.8 69 69 A K H X S+ 0 0 82 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.901 109.3 52.7 -63.5 -40.5 -16.1 22.4 13.8 70 70 A E H X S+ 0 0 92 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.927 111.9 45.2 -60.6 -44.0 -17.4 21.8 17.4 71 71 A M H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.884 109.5 54.2 -67.0 -41.7 -19.5 25.0 17.2 72 72 A K H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 102.7 59.4 -59.3 -40.0 -20.8 24.3 13.7 73 73 A A H < S+ 0 0 30 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.867 109.2 42.2 -57.5 -39.6 -22.0 20.9 15.0 74 74 A K H >< S+ 0 0 111 -4,-1.1 3,-1.6 -3,-0.3 4,-0.3 0.875 108.3 59.5 -75.3 -36.9 -24.2 22.5 17.6 75 75 A A H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.842 93.4 69.1 -58.0 -34.8 -25.4 25.2 15.1 76 76 A S T 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 90.2 61.2 -56.2 -27.4 -26.7 22.3 13.0 77 77 A T T < S+ 0 0 64 -3,-1.6 -1,-0.3 -4,-0.3 2,-0.2 0.629 86.3 99.7 -78.4 -12.0 -29.4 21.6 15.5 78 78 A V < - 0 0 10 -3,-1.9 163,-1.8 -4,-0.3 2,-0.4 -0.506 50.9-167.7 -82.4 144.3 -30.9 25.0 15.1 79 79 A K B -h 241 0D 121 161,-0.2 2,-0.3 -2,-0.2 163,-0.1 -0.913 13.5-164.3-129.9 102.3 -34.0 25.9 13.1 80 80 A A - 0 0 10 161,-1.5 163,-0.4 -2,-0.4 2,-0.3 -0.702 7.4-142.8 -95.4 140.0 -34.5 29.6 12.5 81 81 A K - 0 0 116 -2,-0.3 93,-0.4 161,-0.1 2,-0.4 -0.683 17.4-120.8 -98.4 150.3 -37.8 31.2 11.3 82 82 A L - 0 0 60 -2,-0.3 2,-0.2 92,-0.1 89,-0.2 -0.711 32.9-124.7 -86.7 136.4 -38.0 34.2 9.0 83 83 A L - 0 0 10 87,-2.8 2,-0.1 -2,-0.4 87,-0.0 -0.573 18.7-117.8 -86.0 149.5 -39.8 37.1 10.6 84 84 A S > - 0 0 49 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.444 28.9-110.4 -76.5 157.0 -42.9 38.7 8.9 85 85 A I H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 122.0 53.1 -55.7 -37.4 -42.6 42.4 8.0 86 86 A E H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.981 108.1 47.6 -59.9 -58.8 -45.0 43.0 10.8 87 87 A E H 4 S+ 0 0 75 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.870 114.8 46.5 -49.3 -45.8 -43.0 41.2 13.4 88 88 A A H >X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.6 0.834 110.7 53.0 -69.4 -32.8 -39.8 43.0 12.3 89 89 A C H >< S+ 0 0 1 -4,-2.1 3,-1.1 -3,-0.3 -2,-0.2 0.919 103.3 55.9 -67.9 -42.2 -41.5 46.3 12.3 90 90 A K T 3< S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.614 103.3 58.0 -66.7 -10.9 -42.8 45.9 15.8 91 91 A L T <4 S+ 0 0 14 -3,-0.6 467,-1.0 -4,-0.4 -1,-0.3 0.735 81.0 104.3 -89.1 -24.9 -39.2 45.4 16.9 92 92 A T S << S- 0 0 0 -3,-1.1 465,-0.1 -4,-0.8 464,-0.1 -0.339 80.8-116.2 -60.1 126.1 -38.1 48.8 15.5 93 93 A P > - 0 0 16 0, 0.0 3,-2.5 0, 0.0 16,-0.1 -0.433 19.4-122.9 -66.0 138.9 -37.6 51.2 18.4 94 94 A P T 3 S+ 0 0 25 0, 0.0 12,-0.4 0, 0.0 14,-0.1 0.775 113.2 40.6 -50.8 -30.5 -40.0 54.2 18.2 95 95 A H T 3 S+ 0 0 144 10,-0.1 3,-0.1 11,-0.1 -3,-0.0 0.240 83.2 138.7-106.9 15.6 -37.1 56.6 18.1 96 96 A S S < S- 0 0 14 -3,-2.5 9,-0.8 1,-0.2 10,-0.2 -0.231 70.9 -82.4 -56.3 146.1 -34.9 54.6 15.8 97 97 A A - 0 0 51 7,-0.1 65,-0.2 1,-0.1 -1,-0.2 -0.300 52.6-115.9 -56.9 129.5 -33.1 56.8 13.2 98 98 A K - 0 0 162 -3,-0.1 64,-0.3 1,-0.1 6,-0.3 -0.139 29.3-103.5 -63.1 161.6 -35.4 57.5 10.3 99 99 A S B >> -I 103 0E 5 4,-2.1 4,-0.6 62,-0.1 3,-0.5 -0.462 17.2-125.8 -83.6 156.4 -34.7 56.3 6.7 100 100 A K T 34 S+ 0 0 115 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.065 99.5 79.6 -89.5 27.9 -33.4 58.6 4.1 101 101 A F T 34 S- 0 0 104 2,-0.4 -1,-0.2 14,-0.0 17,-0.1 -0.062 118.0 -82.1-125.3 32.8 -36.3 57.4 2.0 102 102 A G T <4 S+ 0 0 51 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.856 100.7 71.0 74.7 37.8 -39.2 59.5 3.3 103 103 A Y B < -I 99 0E 11 -4,-0.6 -4,-2.1 11,-0.1 -2,-0.4 -0.940 54.8-160.9-173.0 155.7 -40.3 57.6 6.4 104 104 A G >> - 0 0 7 -2,-0.3 4,-2.4 -6,-0.3 3,-0.6 -0.719 45.0 -65.4-136.2-173.2 -39.1 56.8 9.9 105 105 A A H 3> S+ 0 0 6 -9,-0.8 4,-3.3 1,-0.3 5,-0.3 0.864 127.4 49.6 -39.4 -56.7 -39.4 54.6 13.0 106 106 A K H 3> S+ 0 0 114 -12,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.879 110.9 49.5 -56.0 -42.3 -43.0 55.6 13.7 107 107 A D H <4>S+ 0 0 64 -3,-0.6 5,-2.6 2,-0.2 -1,-0.2 0.872 114.0 47.7 -64.7 -37.1 -44.0 55.0 10.1 108 108 A V H ><5S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.2 -2,-0.2 0.977 109.7 48.9 -66.1 -58.3 -42.3 51.6 10.3 109 109 A R H 3<5S+ 0 0 66 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.767 111.6 56.0 -53.0 -24.5 -43.9 50.6 13.7 110 110 A N T 3<5S- 0 0 119 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.151 106.9-124.7 -96.3 15.7 -47.1 51.6 12.1 111 111 A L T < 5 - 0 0 75 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.787 43.4-174.3 43.7 32.7 -47.0 49.4 9.0 112 112 A S >< - 0 0 30 -5,-2.6 4,-2.7 -6,-0.2 5,-0.2 -0.275 31.2-120.0 -58.3 140.4 -47.4 52.6 7.0 113 113 A S H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 109.1 47.6 -48.6 -55.2 -47.8 51.9 3.3 114 114 A R H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.955 113.6 46.2 -55.2 -54.1 -44.8 53.9 2.2 115 115 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 112.7 51.6 -53.0 -51.8 -42.4 52.4 4.7 116 116 A V H X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.889 107.2 51.7 -53.8 -46.2 -43.6 48.9 4.0 117 117 A N H X S+ 0 0 78 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.901 110.7 47.4 -60.9 -42.7 -43.1 49.2 0.2 118 118 A H H X S+ 0 0 61 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.908 111.1 51.9 -65.0 -41.2 -39.5 50.3 0.6 119 119 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.967 109.8 50.0 -57.1 -51.7 -38.9 47.5 3.1 120 120 A R H X S+ 0 0 142 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.908 113.8 45.1 -50.7 -48.7 -40.3 45.1 0.5 121 121 A S H X S+ 0 0 67 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.857 110.6 52.6 -68.2 -36.2 -38.1 46.5 -2.2 122 122 A V H X S+ 0 0 27 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.903 111.3 48.6 -64.7 -40.4 -35.0 46.5 0.1 123 123 A W H X S+ 0 0 24 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.910 109.0 51.8 -64.3 -44.4 -35.6 42.9 0.8 124 124 A E H X S+ 0 0 65 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.873 108.1 52.6 -61.6 -36.8 -36.1 42.1 -2.9 125 125 A D H X S+ 0 0 65 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.833 104.2 56.1 -68.5 -31.8 -32.7 43.8 -3.6 126 126 A L H < S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.6 46.1 -68.9 -26.6 -31.1 41.6 -0.9 127 127 A L H < S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.721 121.5 35.1 -86.9 -23.8 -32.3 38.6 -2.8 128 128 A E H < S+ 0 0 85 -4,-1.3 2,-0.6 1,-0.2 -2,-0.2 0.817 112.1 55.7 -99.2 -39.6 -31.3 39.8 -6.3 129 129 A D < + 0 0 40 -4,-2.8 -1,-0.2 -5,-0.2 543,-0.1 -0.876 53.7 171.8 -99.4 119.4 -28.0 41.7 -5.6 130 130 A T S S+ 0 0 8 -2,-0.6 -1,-0.1 541,-0.4 125,-0.1 0.338 73.4 30.9-107.4 6.7 -25.4 39.5 -3.9 131 131 A E S S+ 0 0 85 2,-0.1 3,-0.1 541,-0.1 -2,-0.1 0.727 72.8 109.9-130.5 -47.8 -22.5 41.9 -4.1 132 132 A T S S- 0 0 74 1,-0.1 -3,-0.1 2,-0.0 124,-0.0 -0.180 71.9-115.0 -48.1 115.2 -23.0 45.7 -4.2 133 133 A P - 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0 0 25 0, 0.0 -108,-0.1 0, 0.0 -113,-0.1 -0.337 37.7 -80.7 -78.3 163.6 -40.3 2.6 -22.1 698 157 B A - 0 0 0 -113,-0.6 2,-0.2 1,-0.1 -106,-0.1 -0.280 39.5-124.4 -67.5 148.9 -37.3 4.9 -22.2 699 158 B R - 0 0 106 -14,-0.1 -14,-3.2 -3,-0.1 2,-0.3 -0.492 30.4-113.5 -85.1 162.2 -36.3 6.8 -19.1 700 159 B L E -V 684 0L 20 -16,-0.2 2,-0.4 -2,-0.2 -16,-0.2 -0.710 21.7-157.7 -99.3 151.1 -36.0 10.5 -19.3 701 160 B I E -V 683 0L 37 -18,-2.2 -18,-1.6 -2,-0.3 2,-0.4 -0.998 7.7-174.4-128.7 130.5 -32.8 12.5 -19.1 702 161 B V E +V 682 0L 3 -2,-0.4 122,-2.4 -20,-0.2 -20,-0.2 -0.989 16.1 158.6-122.4 129.2 -32.8 16.2 -18.1 703 162 B F E -V 681 0L 38 -22,-1.7 -22,-2.8 -2,-0.4 122,-0.1 -0.990 33.1-122.7-155.7 147.3 -29.6 18.2 -18.2 704 163 B P - 0 0 1 0, 0.0 -24,-0.2 0, 0.0 97,-0.0 -0.203 49.3 -73.8 -78.0 173.9 -28.3 21.8 -18.4 705 164 B D > - 0 0 37 -26,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.202 48.2-102.1 -66.6 160.6 -25.9 23.1 -21.1 706 165 B L H > S+ 0 0 0 1,-0.2 4,-2.2 -64,-0.2 5,-0.2 0.897 119.5 55.8 -49.9 -51.1 -22.2 22.2 -21.0 707 166 B G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 110.0 45.5 -51.1 -48.1 -21.1 25.6 -19.5 708 167 B V H > S+ 0 0 15 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.921 108.3 57.6 -62.2 -43.3 -23.4 25.1 -16.6 709 168 B R H X S+ 0 0 11 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.864 106.7 49.1 -57.2 -36.5 -22.3 21.5 -16.2 710 169 B V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.875 108.9 51.8 -72.3 -35.3 -18.7 22.7 -15.8 711 170 B C H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.853 101.8 60.7 -69.3 -32.7 -19.7 25.3 -13.2 712 171 B E H X>S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.2 5,-0.5 0.909 104.3 51.4 -59.4 -39.0 -21.5 22.7 -11.1 713 172 B K H X5S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 5,-0.5 0.957 105.4 53.1 -64.3 -49.4 -18.2 20.9 -10.8 714 173 B M H <5S+ 0 0 7 -4,-1.7 -87,-2.2 1,-0.2 -1,-0.2 0.868 120.6 33.5 -53.5 -38.6 -16.3 24.0 -9.6 715 174 B A H <5S+ 0 0 2 -4,-2.0 -1,-0.2 -89,-0.2 -2,-0.2 0.795 135.7 15.0 -91.1 -29.7 -18.8 24.5 -6.9 716 175 B L H X5S+ 0 0 0 -4,-3.1 4,-3.4 -5,-0.2 5,-0.3 0.552 91.6 93.8-126.7 -6.2 -19.9 21.0 -5.9 717 176 B Y H X> S+ 0 0 34 -5,-0.5 4,-1.1 -93,-0.4 3,-0.9 0.946 115.5 51.7 -52.3 -51.1 -15.5 18.3 -4.0 719 178 B V H >> S+ 0 0 0 -94,-0.3 4,-2.7 1,-0.3 3,-0.9 0.926 111.0 44.3 -52.9 -54.8 -18.8 18.4 -2.0 720 179 B V H 3< S+ 0 0 3 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.606 116.2 48.6 -70.3 -9.9 -20.4 15.5 -3.8 721 180 B S H << S+ 0 0 21 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.531 124.8 27.4-102.7 -9.3 -17.2 13.5 -3.6 722 181 B T H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.877 109.4 44.6 -43.9 -50.6 -21.8 11.6 1.5 725 184 B Q H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.929 113.5 51.4 -61.0 -45.9 -19.1 9.4 3.1 726 185 B A H < S+ 0 0 28 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.779 117.8 37.8 -63.2 -29.5 -18.8 12.0 5.9 727 186 B V H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.871 128.4 27.7 -90.9 -43.0 -22.5 12.0 6.6 728 187 B M H >< S- 0 0 9 -4,-3.0 3,-1.7 -5,-0.3 -3,-0.2 0.601 81.0-172.3 -99.5 -11.7 -23.5 8.3 6.1 729 188 B G G >< S+ 0 0 18 -4,-2.3 3,-2.5 -5,-0.4 -1,-0.2 -0.253 72.1 2.4 56.6-140.3 -20.3 6.5 6.9 730 189 B S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 125,-0.0 5,-0.1 0.725 124.5 69.6 -50.7 -28.1 -20.4 2.7 6.2 731 190 B S G < S+ 0 0 14 -3,-1.7 125,-2.8 124,-0.1 2,-0.6 0.624 71.6 103.5 -68.4 -13.4 -23.9 3.0 4.7 732 191 B Y B X -a 856 0P 2 -3,-2.5 3,-0.8 123,-0.2 125,-0.2 -0.611 59.4-162.4 -72.1 116.3 -22.6 5.0 1.7 733 192 B G G > S+ 0 0 1 123,-2.7 3,-2.3 -2,-0.6 124,-0.2 0.964 76.4 64.3 -65.5 -54.1 -22.7 2.4 -1.0 734 193 B F G 3 S+ 0 0 15 122,-0.4 -1,-0.2 1,-0.3 360,-0.1 0.478 87.5 72.7 -52.3 -5.2 -20.4 3.9 -3.6 735 194 B Q G < S+ 0 0 36 -3,-0.8 2,-0.3 -5,-0.1 -1,-0.3 0.501 86.3 84.5 -89.0 -3.7 -17.4 3.7 -1.3 736 195 B Y < - 0 0 29 -3,-2.3 357,-0.1 355,-0.1 3,-0.0 -0.785 68.6-140.9-106.2 144.3 -17.2 -0.1 -1.8 737 196 B S > - 0 0 6 -2,-0.3 4,-3.0 355,-0.1 5,-0.2 -0.688 45.1 -98.0 -90.8 151.6 -15.6 -2.3 -4.4 738 197 B P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 128.6 47.7 -35.6 -53.3 -17.8 -5.4 -5.3 739 198 B K H > S+ 0 0 112 268,-0.4 4,-2.3 1,-0.2 5,-0.1 0.963 114.1 47.5 -54.3 -53.4 -15.7 -7.5 -2.9 740 199 B Q H > S+ 0 0 79 267,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 109.1 53.8 -55.5 -43.4 -16.0 -4.9 -0.2 741 200 B R H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.965 109.3 47.6 -57.4 -53.6 -19.7 -4.5 -0.7 742 201 B V H X S+ 0 0 8 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.887 110.4 54.2 -54.8 -41.1 -20.3 -8.3 -0.3 743 202 B E H X S+ 0 0 117 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.945 108.8 46.8 -59.2 -49.8 -18.1 -8.1 2.8 744 203 B F H X S+ 0 0 33 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.923 114.5 48.2 -59.6 -45.4 -20.2 -5.3 4.4 745 204 B L H X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.979 114.8 42.0 -59.8 -59.4 -23.4 -7.2 3.6 746 205 B V H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.922 115.9 49.7 -55.8 -48.3 -22.4 -10.6 4.9 747 206 B N H X S+ 0 0 84 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.905 111.0 49.9 -58.2 -42.9 -20.8 -9.1 8.0 748 207 B T H X S+ 0 0 11 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.960 110.5 49.8 -60.9 -49.8 -23.9 -7.0 8.7 749 208 B W H >< S+ 0 0 37 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.920 114.2 45.6 -54.2 -46.6 -26.1 -10.1 8.4 750 209 B K H 3< S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.940 102.3 63.1 -62.5 -50.5 -23.9 -12.1 10.7 751 210 B S H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.2 2,-0.2 0.685 92.1 84.0 -50.1 -20.5 -23.5 -9.3 13.3 752 211 B K S << S- 0 0 16 -4,-0.9 114,-0.1 -3,-0.8 113,-0.0 -0.596 75.6-141.5 -86.6 148.9 -27.3 -9.6 13.8 753 212 B K S S+ 0 0 193 1,-0.3 -1,-0.2 -2,-0.2 113,-0.0 0.988 96.3 4.9 -69.5 -75.8 -28.7 -12.2 16.2 754 213 B C S S- 0 0 73 113,-0.2 113,-3.5 2,-0.0 -1,-0.3 -0.840 95.2-152.9-111.4 90.5 -31.8 -13.2 14.2 755 214 B P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 111,-0.2 0.126 19.0-179.5 -56.0 173.3 -31.4 -11.2 10.9 756 215 B M + 0 0 0 109,-0.4 109,-3.2 111,-0.1 2,-0.3 -0.764 9.5 179.7-175.9 128.3 -34.1 -9.9 8.6 757 216 B G E +BC 864 898P 0 141,-2.3 141,-2.5 -2,-0.2 2,-0.3 -0.907 10.9 169.0-139.6 167.3 -33.5 -8.0 5.5 758 217 B F E -B 863 0P 1 105,-1.9 105,-2.4 -2,-0.3 2,-0.3 -0.959 25.8-129.5-169.9 155.9 -35.3 -6.3 2.5 759 218 B S E -B 862 0P 40 137,-0.3 2,-0.5 -2,-0.3 103,-0.3 -0.767 22.1-140.1-108.2 156.6 -34.6 -4.0 -0.3 760 219 B Y E -B 861 0P 5 101,-2.2 101,-0.8 -2,-0.3 2,-0.7 -0.948 9.7-163.2-127.1 113.6 -36.8 -1.0 -0.9 761 220 B D - 0 0 72 -2,-0.5 131,-2.9 132,-0.5 2,-0.3 -0.841 11.5-153.3 -95.9 113.2 -37.8 -0.0 -4.5 762 221 B T B > -E 891 0Q 5 -2,-0.7 2,-1.2 97,-0.4 3,-0.6 -0.641 25.5-110.5 -85.5 144.6 -39.1 3.5 -4.6 763 222 B R T 3 S- 0 0 76 127,-3.0 -1,-0.1 -2,-0.3 5,-0.0 -0.632 89.5 -29.5 -79.7 98.9 -41.5 4.3 -7.5 764 223 B C T >> S- 0 0 12 -2,-1.2 3,-1.3 3,-0.1 4,-1.0 0.961 74.9-163.3 58.4 55.9 -39.6 6.6 -9.8 765 224 B F H X> S+ 0 0 3 -3,-0.6 3,-1.6 1,-0.3 4,-1.1 0.823 80.5 59.2 -35.8 -55.5 -37.5 8.1 -7.1 766 225 B D H >4 S+ 0 0 39 1,-0.3 55,-2.1 2,-0.2 3,-0.8 0.880 107.1 46.3 -47.9 -45.0 -36.3 11.1 -9.2 767 226 B S H <4 S+ 0 0 2 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 107.8 59.0 -74.1 -15.7 -39.9 12.3 -9.7 768 227 B T H << S+ 0 0 0 -3,-1.6 2,-0.3 -4,-1.0 -1,-0.2 0.655 78.8 103.9 -86.6 -14.7 -40.6 11.8 -6.0 769 228 B V << - 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0 0 2 -5,-0.5 -109,-1.7 -111,-0.3 2,-0.4 -0.769 26.1-176.1 -98.2 138.8 -18.0 12.9 -14.7 1102 561 B Y B -l 992 0V 32 -467,-1.8 2,-0.4 -2,-0.4 -109,-0.1 -0.826 6.0-167.8-134.6 90.9 -14.9 11.5 -16.4 1103 562 B H 0 0 21 -111,-1.0 -468,-0.1 -2,-0.4 -2,-0.0 -0.678 360.0 360.0 -83.2 133.3 -12.2 10.2 -14.1 1104 563 B S 0 0 104 -2,-0.4 -1,-0.2 -111,-0.1 -15,-0.1 0.562 360.0 360.0-134.4 360.0 -8.9 9.5 -15.8