==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/CELL CYCLE 02-OCT-12 4BCF . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.HOLE,S.BAUMLI,S.WANG,J.A.ENDICOTT,M.E.M.NOBLE . 560 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 3 1 0 0 0 2 0 3 0 1 1 2 2 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 6 A D 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.2 37.0 -8.3 -40.6 2 7 A S - 0 0 117 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.998 360.0-171.4 72.0 74.4 39.5 -5.8 -39.1 3 8 A V - 0 0 36 1,-0.1 -1,-0.1 2,-0.0 374,-0.1 -0.737 31.2 -96.5 -96.5 145.5 37.7 -3.7 -36.4 4 9 A E + 0 0 98 -2,-0.3 -1,-0.1 372,-0.1 372,-0.0 -0.175 44.5 172.0 -42.0 139.7 39.0 -0.6 -34.6 5 10 A C > + 0 0 15 1,-0.1 3,-1.6 -3,-0.1 -1,-0.1 -0.083 12.1 160.2-160.1 57.1 40.4 -1.6 -31.3 6 11 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 441,-0.1 0.651 78.2 42.3 -53.1 -30.6 42.2 1.2 -29.4 7 12 A F T 3 S+ 0 0 61 439,-0.4 2,-0.4 1,-0.2 72,-0.3 0.237 103.9 63.3-115.4 10.5 42.1 -0.3 -25.9 8 13 A C S < S- 0 0 0 -3,-1.6 -1,-0.2 70,-0.1 72,-0.1 -0.848 70.7-161.5-137.1 100.3 43.1 -3.9 -26.6 9 14 A D - 0 0 67 -2,-0.4 72,-1.6 70,-0.4 2,-0.3 -0.445 28.1-101.2 -80.7 151.6 46.6 -4.3 -28.0 10 15 A E B > -a 81 0A 82 70,-0.2 3,-2.1 1,-0.1 72,-0.2 -0.571 24.3-130.4 -73.0 135.9 47.7 -7.5 -29.8 11 16 A V G > S+ 0 0 13 70,-2.7 3,-2.6 1,-0.3 -1,-0.1 0.660 98.2 85.7 -64.3 -15.2 49.9 -9.7 -27.6 12 17 A S G 3 S+ 0 0 69 1,-0.3 -1,-0.3 69,-0.2 70,-0.1 0.678 70.4 77.9 -58.9 -15.9 52.4 -9.8 -30.4 13 18 A K G < S+ 0 0 47 -3,-2.1 21,-2.8 20,-0.1 2,-0.3 0.749 91.9 63.4 -61.9 -24.5 53.7 -6.6 -28.9 14 19 A Y E < S-B 33 0B 9 -3,-2.6 2,-0.6 19,-0.2 19,-0.2 -0.781 82.3-141.0 -99.9 146.3 55.3 -8.9 -26.4 15 20 A E E -B 32 0B 73 17,-3.0 17,-2.2 -2,-0.3 2,-0.1 -0.942 21.9-124.1-110.7 116.8 57.9 -11.5 -27.4 16 21 A K E +B 31 0B 97 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.329 31.1 174.1 -60.3 128.8 57.6 -14.9 -25.7 17 22 A L E - 0 0 80 13,-3.8 2,-0.3 1,-0.3 14,-0.2 0.817 59.4 -23.3 -98.1 -44.8 60.8 -15.9 -23.9 18 23 A A E -B 30 0B 46 12,-1.3 12,-3.1 0, 0.0 -1,-0.3 -0.930 54.2-109.8-168.9 136.8 59.7 -19.2 -22.1 19 24 A K E +B 29 0B 131 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.449 33.0 166.1 -58.1 143.8 56.9 -21.2 -20.7 20 25 A I E + 0 0 75 8,-3.0 2,-0.6 1,-0.2 9,-0.2 0.384 61.2 73.0-134.1 -13.7 57.0 -21.3 -16.9 21 26 A G E +B 28 0B 3 7,-2.1 7,-0.5 4,-0.1 -1,-0.2 -0.883 54.8 150.0-106.7 110.0 53.5 -22.6 -16.5 22 27 A Q > + 0 0 113 -2,-0.6 4,-0.8 5,-0.1 3,-0.1 -0.320 54.6 9.6-110.6-159.6 52.8 -26.3 -17.4 23 28 A G T >4 S+ 0 0 69 1,-0.2 3,-1.1 -2,-0.2 -2,-0.0 0.276 123.4 0.7 24.5-133.9 50.3 -28.7 -15.9 24 29 A T T 34 S+ 0 0 125 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.834 118.2 62.4 -48.8 -63.0 47.6 -27.3 -13.6 25 30 A F T 34 S- 0 0 101 1,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.645 104.5-117.6 -48.1 -24.9 48.2 -23.4 -13.4 26 31 A G << - 0 0 11 -3,-1.1 2,-1.0 -4,-0.8 -1,-0.1 -0.514 51.4 -34.1 113.3 179.2 47.5 -22.9 -17.1 27 32 A E + 0 0 71 17,-0.2 17,-1.8 -2,-0.2 2,-0.4 -0.672 65.5 175.0 -81.1 110.6 49.8 -21.7 -19.9 28 33 A V E -BC 21 43B 26 -2,-1.0 -8,-3.0 -7,-0.5 -7,-2.1 -0.950 6.2-171.4-114.7 125.1 52.0 -19.0 -18.4 29 34 A F E -BC 19 42B 21 13,-2.7 13,-3.0 -2,-0.4 2,-0.4 -0.899 22.0-135.1-116.9 144.0 54.8 -17.4 -20.5 30 35 A K E +BC 18 41B 49 -12,-3.1 -13,-3.8 -2,-0.4 -12,-1.3 -0.790 39.5 179.4 -85.2 137.2 57.7 -15.1 -19.7 31 36 A A E -BC 16 40B 0 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.950 27.6-136.2-143.6 170.4 57.9 -12.3 -22.3 32 37 A R E -BC 15 39B 88 -17,-2.2 -17,-3.0 -2,-0.3 2,-0.2 -0.970 27.7-119.4-127.7 125.6 59.7 -9.2 -23.4 33 38 A H E > -B 14 0B 33 5,-2.3 4,-1.7 -2,-0.4 -19,-0.2 -0.521 27.3-133.9 -63.4 131.5 58.1 -6.0 -24.6 34 39 A R T 4 S+ 0 0 133 -21,-2.8 -1,-0.1 -2,-0.2 -20,-0.1 0.674 97.0 33.0 -69.2 -15.7 59.4 -5.6 -28.1 35 40 A K T 4 S+ 0 0 186 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.798 129.4 25.2-104.6 -36.8 60.3 -1.9 -27.7 36 41 A T T 4 S- 0 0 96 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.575 90.7-123.0-114.3 -18.7 61.3 -1.4 -24.1 37 42 A G < + 0 0 11 -4,-1.7 -3,-0.1 1,-0.3 -6,-0.0 0.323 52.3 160.7 92.1 -6.4 62.6 -4.7 -22.9 38 43 A Q - 0 0 75 -6,-0.2 -5,-2.3 1,-0.1 2,-0.3 -0.229 35.6-134.5 -55.8 123.4 60.1 -4.7 -20.1 39 44 A K E +C 32 0B 90 -7,-0.2 54,-1.6 -3,-0.1 2,-0.3 -0.626 32.6 168.8 -84.6 139.9 59.6 -8.3 -18.8 40 45 A V E -CD 31 92B 0 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.5 -0.888 32.9-119.3-139.3 167.4 56.1 -9.5 -18.2 41 46 A A E -CD 30 91B 15 50,-3.0 50,-3.0 -2,-0.3 2,-0.6 -0.971 23.3-156.9-111.0 131.8 54.1 -12.7 -17.5 42 47 A L E -CD 29 90B 1 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.6 -0.920 8.9-174.8-106.9 121.4 51.4 -13.8 -20.0 43 48 A K E -CD 28 89B 42 46,-2.5 46,-3.3 -2,-0.6 -15,-0.2 -0.967 18.0-144.3-108.0 118.8 48.6 -16.0 -18.8 44 49 A K E - D 0 88B 42 -17,-1.8 2,-0.8 -2,-0.6 44,-0.2 -0.523 20.5-116.4 -69.7 145.5 46.3 -17.1 -21.6 45 50 A V - 0 0 9 42,-2.8 42,-0.4 -2,-0.2 2,-0.1 -0.819 34.6-129.2 -82.6 109.9 42.6 -17.5 -20.8 46 51 A L - 0 0 104 -2,-0.8 2,-0.3 1,-0.1 3,-0.2 -0.365 20.8-167.9 -61.2 127.3 41.8 -21.2 -21.3 47 52 A M + 0 0 83 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.604 28.1 151.3-114.5 69.4 38.8 -22.0 -23.5 48 53 A E S S- 0 0 176 -2,-0.3 -1,-0.1 0, 0.0 2,-0.1 0.882 85.0 -48.3 -58.7 -39.1 38.3 -25.7 -22.9 49 54 A N - 0 0 68 -3,-0.2 2,-0.1 4,-0.1 -2,-0.0 0.227 46.5-165.6-112.1-112.5 34.8 -24.6 -23.7 50 55 A E > - 0 0 58 3,-0.1 3,-0.6 -2,-0.1 -3,-0.0 0.769 1.7-174.1 -84.8 159.9 33.1 -22.4 -22.8 51 56 A K T 3 S+ 0 0 165 1,-0.2 354,-0.1 -2,-0.1 0, 0.0 0.512 91.8 57.8 -70.6 -7.7 29.6 -23.3 -24.0 52 57 A E T 3 S- 0 0 57 1,-0.4 -1,-0.2 353,-0.1 4,-0.1 -0.168 106.8-114.4-129.2 39.5 29.1 -19.8 -22.7 53 58 A G S < S+ 0 0 3 -3,-0.6 -1,-0.4 2,-0.1 3,-0.1 -0.240 86.5 15.0 60.7-149.9 31.3 -17.3 -24.4 54 59 A F S S- 0 0 14 384,-0.2 5,-0.1 1,-0.1 -4,-0.1 -0.359 99.6 -97.9 -62.2 125.9 34.0 -15.6 -22.4 55 60 A P >> - 0 0 6 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.177 20.0-146.6 -55.6 123.4 34.5 -17.5 -19.1 56 61 A I H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.798 101.9 60.6 -57.6 -27.3 32.6 -15.9 -16.3 57 62 A T H 3> S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 104.5 46.4 -67.4 -40.4 35.5 -17.1 -14.1 58 63 A A H <> S+ 0 0 9 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.888 109.4 55.0 -70.1 -38.2 38.0 -15.0 -16.1 59 64 A L H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.923 108.0 50.5 -57.4 -44.0 35.6 -12.0 -15.9 60 65 A R H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 111.8 45.9 -61.1 -47.0 35.7 -12.4 -12.2 61 66 A E H X S+ 0 0 7 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.938 112.7 50.1 -62.7 -48.1 39.5 -12.5 -12.0 62 67 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.920 110.1 51.2 -55.3 -45.3 39.9 -9.6 -14.3 63 68 A K H X S+ 0 0 81 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.938 114.4 44.0 -56.0 -46.2 37.4 -7.6 -12.2 64 69 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.908 111.3 50.8 -71.9 -43.7 39.4 -8.5 -9.1 65 70 A L H < S+ 0 0 2 -4,-3.4 11,-0.3 1,-0.2 -1,-0.2 0.877 109.8 52.9 -59.4 -37.4 42.9 -7.8 -10.5 66 71 A Q H < S+ 0 0 63 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.815 111.4 46.2 -69.2 -28.4 41.6 -4.4 -11.7 67 72 A L H < S+ 0 0 85 -4,-1.2 2,-0.8 -3,-0.3 -2,-0.2 0.900 98.6 76.9 -76.7 -43.7 40.4 -3.6 -8.2 68 73 A L < + 0 0 2 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.1 -0.595 50.4 161.6 -81.3 104.5 43.6 -4.7 -6.3 69 74 A K + 0 0 94 -2,-0.8 2,-0.3 6,-0.1 6,-0.1 -0.911 23.3 126.1-124.4 104.5 46.4 -2.2 -6.5 70 75 A H > - 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0 0 23 -4,-0.2 -4,-0.4 2,-0.0 2,-0.3 -0.952 360.0-131.3-156.3 177.8 42.2 -15.6 -27.9 87 99 A I - 0 0 9 -42,-0.4 -42,-2.8 -2,-0.3 2,-0.4 -0.969 10.9-162.9-142.1 140.1 43.0 -13.5 -24.8 88 100 A Y E -DE 44 80B 15 -8,-2.9 -8,-2.6 -2,-0.3 2,-0.5 -0.973 15.6-141.2-133.3 133.6 45.9 -13.0 -22.5 89 101 A L E -DE 43 79B 1 -46,-3.3 -46,-2.5 -2,-0.4 2,-0.6 -0.816 23.8-151.8 -86.8 127.2 46.3 -11.4 -19.1 90 102 A V E +DE 42 78B 0 -12,-2.7 -13,-3.2 -2,-0.5 -12,-1.1 -0.914 17.7 179.0-106.9 120.5 49.6 -9.4 -18.9 91 103 A F E -DE 41 76B 21 -50,-3.0 -50,-3.0 -2,-0.6 -15,-0.2 -0.876 39.1 -96.8-115.9 151.6 51.4 -9.0 -15.6 92 104 A D E -D 40 0B 64 -17,-1.7 -52,-0.2 -2,-0.3 -17,-0.2 -0.394 56.3-109.3 -51.6 133.8 54.6 -7.3 -14.3 93 105 A F - 0 0 43 -54,-1.6 2,-0.5 -62,-0.1 -54,-0.1 -0.493 27.5-154.8 -74.6 141.2 57.1 -10.2 -14.3 94 106 A C - 0 0 14 -2,-0.2 52,-0.2 1,-0.1 51,-0.1 -0.974 7.2-149.5-118.5 124.2 58.4 -11.5 -10.9 95 107 A E S S+ 0 0 73 -2,-0.5 2,-0.2 49,-0.1 51,-0.2 0.922 73.8 37.9 -59.0 -47.5 61.8 -13.2 -10.8 96 108 A H E -G 145 0C 76 49,-2.5 49,-1.6 4,-0.0 2,-0.4 -0.579 58.1-153.1-107.8 165.3 61.1 -15.7 -8.0 97 109 A D E >> -G 144 0C 53 47,-0.2 4,-2.1 -2,-0.2 3,-1.0 -0.994 22.2-134.4-137.2 125.8 58.4 -17.9 -6.7 98 110 A L H 3> S+ 0 0 0 45,-2.8 4,-2.4 -2,-0.4 5,-0.2 0.825 105.0 56.6 -51.7 -37.7 58.4 -18.8 -3.0 99 111 A A H 3> S+ 0 0 26 41,-0.7 4,-1.5 44,-0.3 -1,-0.3 0.908 110.4 45.5 -60.2 -43.4 57.8 -22.5 -3.7 100 112 A G H <4 S+ 0 0 36 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.930 112.0 50.7 -61.8 -49.4 60.9 -22.7 -5.8 101 113 A L H >< S+ 0 0 27 -4,-2.1 3,-1.0 1,-0.2 6,-0.3 0.883 113.9 44.9 -55.4 -42.6 63.0 -20.7 -3.3 102 114 A L H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 110.0 53.8 -75.7 -30.0 62.0 -23.1 -0.5 103 115 A S T 3< S+ 0 0 95 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.167 92.7 92.5 -90.7 17.2 62.4 -26.2 -2.5 104 116 A N X - 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0 0 79 1,-0.1 -188,-0.1 -4,-0.1 -4,-0.1 -0.234 37.8 -75.1 -59.6 154.8 63.8 -6.8 13.3 305 321 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -192,-0.2 -0.218 58.0-165.8 -54.9 137.8 62.6 -7.6 9.7 306 322 A S - 0 0 44 -194,-1.8 -190,-0.2 -3,-0.1 -189,-0.1 -0.889 23.2 -88.4-128.0 158.6 65.1 -7.0 7.0 307 323 A D - 0 0 116 -2,-0.3 2,-0.3 1,-0.1 -158,-0.1 -0.063 48.8-101.5 -56.0 161.0 65.3 -6.6 3.2 308 324 A L + 0 0 22 -160,-0.2 -1,-0.1 -159,-0.2 -199,-0.0 -0.703 59.4 131.1 -99.1 139.6 65.8 -9.6 0.9 309 325 A K 0 0 200 1,-0.4 -1,-0.1 -2,-0.3 -160,-0.0 0.316 360.0 360.0-156.0 -31.9 69.0 -10.7 -0.8 310 326 A G 0 0 48 -203,-0.1 -1,-0.4 -202,-0.0 -200,-0.1 -0.863 360.0 360.0 -82.4 360.0 69.2 -14.4 0.1 311 !* 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 0.0 312 8 B N 0 0 159 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-159.9 42.5 7.0 -17.8 313 9 B N + 0 0 163 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.257 360.0 50.9 -88.3 5.6 39.7 8.5 -15.6 314 10 B K S > S+ 0 0 171 2,-0.1 3,-1.1 1,-0.0 -1,-0.2 0.242 84.3 98.2-116.2 0.0 38.9 10.6 -18.7 315 11 B R T 3 S+ 0 0 78 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.0 0.901 90.2 30.0 -69.1 -46.3 38.8 7.6 -21.1 316 12 B W T 3 S+ 0 0 4 -4,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.033 104.8 87.5-103.9 26.0 35.1 7.0 -21.2 317 13 B Y < - 0 0 64 -3,-1.1 2,-0.3 177,-0.1 177,-0.2 -0.992 60.3-166.2-125.3 135.3 34.0 10.6 -20.7 318 14 B F - 0 0 26 175,-2.6 2,-0.1 -2,-0.4 -2,-0.0 -0.856 20.4-122.6-128.8 152.0 33.7 12.9 -23.7 319 15 B T > - 0 0 80 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.370 40.4-105.6 -81.3 166.2 33.3 16.6 -24.5 320 16 B R H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.870 123.4 55.9 -61.8 -35.1 30.2 17.7 -26.5 321 17 B E H > S+ 0 0 152 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 104.6 51.6 -63.9 -40.5 32.5 18.1 -29.5 322 18 B Q H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.837 107.4 55.0 -62.7 -34.5 33.7 14.5 -29.2 323 19 B L H >< S+ 0 0 22 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.840 104.0 52.1 -73.5 -33.6 30.1 13.5 -29.2 324 20 B E H 3< S+ 0 0 92 -4,-1.8 2,-1.3 1,-0.2 -2,-0.2 0.936 107.3 55.4 -61.8 -44.3 29.3 15.2 -32.5 325 21 B N T 3< S+ 0 0 118 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.273 79.6 154.7 -86.4 53.5 32.3 13.4 -34.0 326 22 B S X> - 0 0 1 -2,-1.3 4,-1.7 -3,-0.6 3,-0.6 -0.382 60.7-108.0 -76.2 158.0 31.1 9.9 -33.2 327 23 B P H 3> S+ 0 0 11 0, 0.0 4,-0.6 0, 0.0 51,-0.2 0.874 122.4 56.7 -50.0 -38.3 32.2 6.9 -35.3 328 24 B S H >4>S+ 0 0 0 46,-0.4 5,-2.0 49,-0.4 3,-1.0 0.870 100.9 53.9 -66.3 -39.1 28.7 6.9 -36.6 329 25 B R H X45S+ 0 0 46 -3,-0.6 3,-2.7 1,-0.3 -1,-0.2 0.913 101.2 61.5 -59.6 -40.9 28.8 10.5 -37.8 330 26 B R H 3<5S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.716 104.6 49.6 -61.9 -18.2 31.9 9.6 -39.8 331 27 B F T <<5S- 0 0 111 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.046 129.1 -95.5-106.4 23.3 29.7 7.1 -41.6 332 28 B G T < 5S+ 0 0 61 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.561 73.7 144.6 85.1 10.6 27.0 9.7 -42.4 333 29 B V < - 0 0 13 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.702 49.5-121.9 -84.7 124.1 24.5 9.0 -39.6 334 30 B D > - 0 0 104 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.199 18.6-116.9 -55.4 154.4 22.8 12.2 -38.3 335 31 B P H > S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.970 116.2 46.6 -53.7 -54.6 23.2 13.2 -34.7 336 32 B D H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.873 111.2 51.2 -60.7 -38.8 19.5 12.8 -34.1 337 33 B K H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.922 109.2 52.1 -62.2 -45.1 19.3 9.4 -35.8 338 34 B E H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.914 104.7 54.3 -62.0 -41.7 22.2 8.2 -33.7 339 35 B L H X S+ 0 0 77 -4,-2.4 4,-2.8 1,-0.2 -1,-0.3 0.864 109.2 50.4 -60.2 -33.6 20.5 9.2 -30.5 340 36 B S H X S+ 0 0 45 -4,-1.4 4,-3.3 -3,-0.3 5,-0.3 0.926 104.7 55.6 -68.7 -44.6 17.5 7.1 -31.6 341 37 B Y H X S+ 0 0 78 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.926 112.1 44.8 -54.5 -47.0 19.8 4.2 -32.4 342 38 B R H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 3,-0.5 0.980 112.7 50.1 -56.3 -59.6 21.0 4.4 -28.7 343 39 B Q H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.882 111.7 48.7 -46.2 -46.9 17.5 4.9 -27.3 344 40 B Q H X S+ 0 0 106 -4,-3.3 4,-2.2 1,-0.2 -1,-0.3 0.848 109.4 51.1 -69.7 -36.1 16.2 1.9 -29.2 345 41 B A H X S+ 0 0 1 -4,-1.8 4,-2.7 -3,-0.5 -1,-0.2 0.912 108.8 51.5 -64.3 -45.7 19.0 -0.3 -28.1 346 42 B A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.899 109.4 52.4 -57.7 -39.4 18.4 0.7 -24.5 347 43 B N H X S+ 0 0 72 -4,-2.3 4,-3.2 -5,-0.3 -2,-0.2 0.938 108.4 48.8 -62.5 -43.8 14.7 -0.3 -25.1 348 44 B L H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.916 112.0 50.5 -60.0 -42.1 15.7 -3.7 -26.5 349 45 B L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.954 111.5 47.1 -62.9 -47.0 17.9 -4.1 -23.4 350 46 B Q H X S+ 0 0 26 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.943 114.0 47.8 -58.6 -45.1 15.1 -3.2 -21.1 351 47 B D H X S+ 0 0 50 -4,-3.2 4,-2.1 1,-0.2 3,-0.2 0.973 117.3 39.9 -63.4 -54.2 12.7 -5.5 -22.9 352 48 B M H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.884 113.1 56.7 -59.4 -41.0 15.0 -8.6 -22.9 353 49 B G H <>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.3 -1,-0.2 0.909 108.9 45.6 -63.7 -41.1 16.3 -7.9 -19.4 354 50 B Q H ><5S+ 0 0 117 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.885 114.8 47.0 -70.3 -39.1 12.8 -8.0 -18.0 355 51 B R H 3<5S+ 0 0 120 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 112.4 49.7 -70.7 -35.4 11.8 -11.1 -19.9 356 52 B L T 3<5S- 0 0 4 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.391 111.8-126.6 -78.4 0.7 15.1 -12.8 -18.8 357 53 B N T < 5 + 0 0 133 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.880 57.1 147.1 55.2 41.5 14.3 -11.7 -15.3 358 54 B V < - 0 0 12 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.753 51.7 -91.3 -99.4 163.2 17.6 -9.9 -14.7 359 55 B S > - 0 0 39 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.158 24.6-116.7 -71.9 158.3 17.8 -6.9 -12.5 360 56 B Q H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 117.3 62.2 -58.5 -35.3 17.5 -3.2 -13.5 361 57 B L H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 104.3 45.4 -54.6 -51.0 21.1 -2.9 -12.4 362 58 B T H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.895 111.5 52.9 -60.4 -42.6 22.3 -5.5 -15.0 363 59 B I H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.947 109.7 48.8 -57.3 -45.4 20.2 -3.8 -17.7 364 60 B N H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.873 109.3 52.2 -61.7 -39.3 21.9 -0.5 -16.8 365 61 B T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.968 111.6 46.8 -64.4 -45.1 25.3 -2.1 -17.0 366 62 B A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.943 110.4 53.9 -62.5 -42.1 24.4 -3.4 -20.4 367 63 B I H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.883 108.9 46.8 -56.5 -43.6 23.1 -0.0 -21.5 368 64 B V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.919 109.8 54.0 -64.1 -44.2 26.4 1.7 -20.5 369 65 B Y H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.953 110.0 49.3 -53.8 -46.7 28.4 -0.9 -22.3 370 66 B M H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.911 109.1 50.7 -56.9 -50.4 26.2 -0.1 -25.3 371 67 B H H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.945 115.7 41.1 -53.6 -56.1 26.8 3.6 -25.0 372 68 B R H >< S+ 0 0 17 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.822 106.8 62.3 -61.8 -37.4 30.6 3.3 -24.8 373 69 B F H >X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.3 3,-1.5 0.919 103.5 51.5 -56.8 -43.2 30.8 0.6 -27.5 374 70 B Y T 3< S+ 0 0 0 -4,-1.8 -46,-0.4 1,-0.3 -1,-0.3 0.358 93.8 68.7 -83.5 5.9 29.3 3.1 -29.9 375 71 B M T <4 S+ 0 0 15 -3,-1.5 -1,-0.3 -49,-0.1 -2,-0.2 0.445 117.0 28.2 -84.8 -5.6 31.8 5.9 -29.1 376 72 B I T <4 S+ 0 0 24 -3,-1.5 2,-0.2 -4,-0.3 -2,-0.2 0.640 123.6 47.0-124.8 -36.3 34.3 3.5 -30.8 377 73 B Q S < S- 0 0 7 -4,-2.5 -49,-0.4 -5,-0.2 2,-0.4 -0.683 79.0-118.8-107.1 165.3 32.2 1.6 -33.3 378 74 B S >> - 0 0 4 -2,-0.2 4,-2.9 -51,-0.2 3,-1.1 -0.829 9.2-136.9-107.5 143.2 29.6 2.7 -35.8 379 75 B F T 34 S+ 0 0 17 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.793 107.6 65.5 -65.6 -27.3 26.0 1.8 -35.9 380 76 B T T 34 S+ 0 0 74 1,-0.2 -1,-0.3 3,-0.1 -52,-0.0 0.782 112.0 31.2 -66.0 -27.1 26.6 1.5 -39.6 381 77 B R T <4 S+ 0 0 110 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.765 130.1 35.2 -95.3 -35.2 28.9 -1.5 -39.0 382 78 B F S < S- 0 0 10 -4,-2.9 -1,-0.2 -8,-0.0 2,-0.1 -0.905 78.0-148.0-128.1 108.3 27.3 -2.9 -35.9 383 79 B P >> - 0 0 69 0, 0.0 3,-2.5 0, 0.0 4,-1.8 -0.422 19.7-125.6 -78.8 142.2 23.5 -2.7 -35.6 384 80 B G H 3> S+ 0 0 11 1,-0.3 4,-2.9 2,-0.2 -5,-0.0 0.822 109.0 65.2 -58.1 -31.5 22.0 -2.3 -32.1 385 81 B N H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 31,-0.1 0.606 110.1 40.0 -65.8 -9.0 19.8 -5.3 -32.6 386 82 B S H <> S+ 0 0 58 -3,-2.5 4,-1.1 2,-0.1 -2,-0.2 0.782 118.5 43.0-103.6 -43.3 23.1 -7.3 -32.7 387 83 B V H X S+ 0 0 0 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.888 103.3 65.4 -73.6 -41.0 25.0 -5.6 -30.0 388 84 B A H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.931 104.1 43.6 -55.8 -53.4 22.2 -5.3 -27.4 389 85 B P H > S+ 0 0 8 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.949 117.1 46.7 -60.7 -45.2 21.8 -9.0 -26.8 390 86 B A H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.933 112.9 50.0 -58.7 -43.8 25.5 -9.6 -26.7 391 87 B A H X S+ 0 0 0 -4,-3.7 4,-2.7 1,-0.2 -1,-0.2 0.914 113.6 45.6 -60.5 -45.5 26.0 -6.6 -24.4 392 88 B L H X S+ 0 0 1 -4,-3.2 4,-2.5 -5,-0.3 5,-0.3 0.917 108.2 55.5 -66.1 -46.7 23.2 -7.9 -22.1 393 89 B F H X S+ 0 0 1 -4,-3.2 4,-1.4 -5,-0.3 10,-0.4 0.918 113.6 43.9 -44.9 -47.9 24.6 -11.5 -22.1 394 90 B L H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.941 109.8 53.1 -67.9 -49.3 27.9 -10.0 -20.9 395 91 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 6,-0.2 0.858 107.9 52.0 -57.7 -36.1 26.4 -7.7 -18.3 396 92 B A H <>S+ 0 0 2 -4,-2.5 5,-3.0 2,-0.2 4,-0.3 0.896 111.2 47.3 -68.4 -38.4 24.5 -10.5 -16.7 397 93 B K H ><5S+ 0 0 8 -4,-1.4 3,-1.8 -5,-0.3 -2,-0.2 0.981 115.5 45.6 -61.3 -51.8 27.8 -12.6 -16.5 398 94 B V H 3<5S+ 0 0 31 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.812 113.6 48.6 -63.5 -34.7 29.6 -9.6 -15.1 399 95 B E T 3<5S- 0 0 59 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.346 116.9-110.8 -91.4 7.2 26.9 -8.7 -12.6 400 96 B G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.790 93.3 105.9 68.4 28.5 26.6 -12.3 -11.4 401 97 B Q < - 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0 0 17 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.932 64.6 -65.4 53.1 42.9 39.4 -2.8 -23.2 450 146 B F T 3 > - 0 0 9 -2,-0.5 3,-1.4 1,-0.1 4,-0.6 -0.865 25.4-121.7-110.5 147.4 25.7 3.8 -11.7 457 153 B P H >> S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.761 101.7 76.0 -48.7 -28.2 24.1 7.0 -10.4 458 154 B H H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.3 5,-0.3 0.838 85.4 57.3 -63.9 -38.9 21.6 4.9 -8.4 459 155 B T H <> S+ 0 0 76 -3,-1.4 4,-1.6 1,-0.3 -1,-0.3 0.932 112.9 43.9 -53.5 -45.6 24.0 3.9 -5.7 460 156 B H H X S+ 0 0 2 -4,-1.6 4,-3.2 2,-0.2 3,-0.6 0.997 104.9 45.7 -60.4 -63.5 20.7 8.4 -5.5 462 158 B V H 3X S+ 0 0 73 -4,-2.0 4,-1.5 1,-0.2 5,-0.3 0.913 113.9 51.2 -41.8 -53.8 19.9 6.3 -2.4 463 159 B K H 3X S+ 0 0 125 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.886 116.2 40.2 -51.9 -44.1 22.8 8.0 -0.5 464 160 B C H << S+ 0 0 6 -4,-2.3 -2,-0.2 -3,-0.6 -1,-0.2 0.923 111.3 53.2 -78.5 -45.2 21.7 11.5 -1.4 465 161 B T H <>S+ 0 0 12 -4,-3.2 5,-2.3 1,-0.2 3,-0.4 0.689 111.6 48.3 -67.7 -20.0 17.9 11.1 -1.0 466 162 B Q H ><5S+ 0 0 125 -4,-1.5 3,-2.6 -5,-0.4 -1,-0.2 0.894 104.6 57.4 -78.2 -49.4 18.4 9.7 2.5 467 163 B L T 3<5S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.040 114.0 41.8 -77.0 28.4 20.8 12.5 3.6 468 164 B V T 3 5S- 0 0 21 -3,-0.4 -1,-0.3 -2,-0.2 -2,-0.2 0.110 109.3-122.6-148.9 19.3 18.0 14.9 2.7 469 165 B R T < 5 - 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0 0 15 -4,-2.3 3,-0.4 -5,-0.3 56,-0.0 -0.844 63.0-130.8-130.7 164.4 20.5 10.7 -22.7 490 186 B T S > S+ 0 0 18 -2,-0.3 3,-1.7 1,-0.2 4,-0.4 0.030 70.5 120.1 -95.3 28.3 24.2 10.3 -23.2 491 187 B F G >> + 0 0 3 -6,-0.4 4,-3.4 1,-0.3 3,-1.9 0.853 65.5 63.8 -61.7 -35.8 24.8 11.7 -19.7 492 188 B S G 34 S+ 0 0 21 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.726 104.5 47.9 -61.2 -23.6 26.6 8.5 -18.7 493 189 B L G <4 S+ 0 0 0 -3,-1.7 -175,-2.6 -176,-0.1 -1,-0.3 0.459 123.0 31.5 -89.7 -6.7 29.2 9.4 -21.4 494 190 B Q T <4 S+ 0 0 21 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.2 0.700 115.0 45.2-121.1 -36.0 29.6 13.0 -20.2 495 191 B Y S < S- 0 0 42 -4,-3.4 -1,-0.3 -5,-0.1 5,-0.0 -0.917 79.7-110.5-125.4 140.8 29.1 13.2 -16.5 496 192 B T > - 0 0 57 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.191 39.1-106.0 -61.3 158.3 30.3 11.1 -13.6 497 193 B P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.882 118.7 51.0 -58.3 -41.7 27.6 9.0 -11.8 498 194 B P H > S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.875 110.0 49.6 -67.8 -36.2 27.5 11.2 -8.7 499 195 B V H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.944 111.4 49.0 -64.8 -49.8 27.0 14.4 -10.8 500 196 B V H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.909 106.6 57.3 -54.3 -40.7 24.2 12.7 -12.8 501 197 B A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.905 104.1 51.9 -61.3 -36.4 22.6 11.6 -9.5 502 198 B C H X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.945 108.1 52.3 -64.5 -42.7 22.4 15.3 -8.4 503 199 B V H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.924 110.5 47.6 -58.1 -46.5 20.7 16.1 -11.7 504 200 B C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.876 113.2 46.3 -61.2 -43.8 18.1 13.3 -11.1 505 201 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 112.1 54.0 -68.2 -44.4 17.4 14.4 -7.5 506 202 B H H X S+ 0 0 20 -4,-3.4 4,-2.5 -5,-0.2 3,-0.4 0.964 112.2 41.7 -48.1 -62.7 17.2 18.0 -8.8 507 203 B L H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.892 111.5 55.1 -56.6 -42.6 14.6 17.2 -11.4 508 204 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.886 110.7 47.7 -57.3 -38.5 12.6 14.9 -9.1 509 205 B C H >X>S+ 0 0 7 -4,-2.3 5,-1.9 -3,-0.4 4,-1.1 0.982 112.4 46.9 -65.2 -57.8 12.4 17.8 -6.7 510 206 B K H ><5S+ 0 0 106 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.869 113.6 50.0 -50.8 -42.5 11.3 20.3 -9.4 511 207 B W H 3<5S+ 0 0 68 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.790 116.2 40.8 -66.7 -34.3 8.8 17.8 -10.6 512 208 B S H <<5S- 0 0 38 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.431 107.6-118.4 -92.2 -4.5 7.3 17.2 -7.2 513 209 B N T <<5 + 0 0 148 -4,-1.1 2,-0.4 -3,-0.5 -3,-0.2 0.924 67.3 142.2 60.4 43.6 7.4 20.8 -5.9 514 210 B W < - 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