==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-SEP-11 3TNH . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S BAUMLI,A.J.HOLE,J.A.ENDICOTT . 533 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.8 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 . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 2 2 0 0 0 2 0 3 0 1 2 1 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 . 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 8 A V 0 0 112 0, 0.0 357,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 118.4 37.7 -3.1 -37.2 2 9 A E + 0 0 105 355,-0.1 355,-0.0 1,-0.1 356,-0.0 -0.289 360.0 177.2 -67.8 149.2 39.3 -0.5 -34.8 3 10 A C > + 0 0 21 1,-0.1 3,-1.4 426,-0.0 -1,-0.1 -0.270 12.3 160.8-154.1 61.0 40.9 -1.3 -31.5 4 11 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 424,-0.1 0.555 80.6 40.5 -53.1 -28.1 42.5 1.7 -29.6 5 12 A F T 3 S+ 0 0 58 422,-0.5 2,-0.3 1,-0.2 72,-0.3 0.136 102.1 64.9-121.5 11.5 42.5 -0.0 -26.2 6 13 A C S < S- 0 0 1 -3,-1.4 -1,-0.2 70,-0.1 72,-0.1 -0.832 70.8-154.7-134.9 104.0 43.5 -3.7 -26.8 7 14 A D - 0 0 71 70,-0.5 72,-1.8 -2,-0.3 2,-0.2 -0.402 25.7-102.4 -79.4 151.8 47.1 -4.1 -28.1 8 15 A E B > -a 79 0A 100 70,-0.2 3,-1.7 1,-0.1 72,-0.2 -0.511 25.5-131.4 -71.7 136.0 48.3 -7.1 -30.1 9 16 A V G > S+ 0 0 8 70,-3.1 3,-2.4 1,-0.3 -1,-0.1 0.637 96.2 87.5 -66.8 -13.7 50.3 -9.4 -27.9 10 17 A S G 3 + 0 0 71 1,-0.3 -1,-0.3 69,-0.3 22,-0.1 0.622 67.2 80.8 -55.6 -16.7 53.0 -9.5 -30.6 11 18 A K G < S+ 0 0 52 -3,-1.7 21,-2.9 20,-0.1 2,-0.3 0.775 91.3 62.1 -61.2 -25.1 54.3 -6.4 -28.9 12 19 A Y E < S-B 31 0A 7 -3,-2.4 2,-0.5 19,-0.2 19,-0.2 -0.790 80.3-140.2-102.2 146.5 55.8 -9.0 -26.5 13 20 A E E -B 30 0A 72 17,-2.2 17,-2.2 -2,-0.3 2,-0.1 -0.938 24.7-122.8-109.5 117.3 58.4 -11.7 -27.5 14 21 A K E +B 29 0A 104 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.372 34.4 170.4 -66.2 124.6 57.8 -15.1 -25.9 15 22 A L E - 0 0 80 13,-3.6 2,-0.3 1,-0.2 14,-0.2 0.789 55.7 -16.5-101.0 -44.6 60.8 -16.4 -23.9 16 23 A A E -B 28 0A 44 12,-1.6 12,-3.0 3,-0.0 2,-0.5 -0.890 56.4-109.7-169.6 131.9 59.8 -19.5 -21.9 17 24 A K E -B 27 0A 143 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.571 32.9-171.8 -60.8 116.6 56.8 -21.5 -20.6 18 25 A I - 0 0 79 8,-2.7 9,-0.1 -2,-0.5 -1,-0.1 -0.271 64.6 -43.3-137.6 59.0 57.0 -20.9 -16.8 19 26 A G > - 0 0 11 5,-0.1 3,-0.7 7,-0.1 7,-0.6 0.686 31.1-170.4-164.5-169.7 54.9 -22.9 -16.9 20 27 A Q G > S+ 0 0 137 1,-0.2 3,-0.7 5,-0.2 4,-0.3 0.649 102.9 74.7 -78.4 -15.1 52.0 -25.3 -17.5 21 28 A G G 3 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.563 85.5 66.2 -69.7 -7.9 53.1 -26.8 -14.1 22 29 A T G < S- 0 0 73 -3,-0.7 -1,-0.2 2,-0.5 -2,-0.1 -0.179 133.1 -72.2-110.2 39.0 51.6 -23.7 -12.4 23 30 A F S < S- 0 0 118 -3,-0.7 2,-0.3 1,-0.0 -2,-0.1 0.434 102.3 -28.9 86.3 5.2 47.8 -24.2 -13.2 24 31 A G S S- 0 0 7 -5,-0.4 2,-1.4 -4,-0.3 -2,-0.5 -0.990 95.7 -15.2 153.6-168.8 48.2 -23.3 -16.9 25 32 A E + 0 0 51 -2,-0.3 17,-2.1 17,-0.2 2,-0.4 -0.575 59.6 152.8 -87.0 84.7 49.7 -21.5 -19.9 26 33 A V E - C 0 41A 28 -2,-1.4 -8,-2.7 -7,-0.6 2,-0.4 -0.951 20.4-169.1-113.4 126.2 51.9 -18.7 -18.5 27 34 A F E -BC 17 40A 26 13,-2.3 13,-2.5 -2,-0.4 2,-0.4 -0.865 22.8-129.5-114.0 142.5 55.0 -17.5 -20.6 28 35 A K E +BC 16 39A 43 -12,-3.0 -13,-3.6 -2,-0.4 -12,-1.6 -0.803 42.8 174.2 -82.2 136.8 57.9 -15.3 -19.7 29 36 A A E -BC 14 38A 0 9,-2.7 9,-3.0 -2,-0.4 2,-0.4 -0.938 26.8-130.4-145.8 170.2 58.1 -12.7 -22.4 30 37 A R E -BC 13 37A 87 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.2 -0.957 25.4-117.0-129.1 123.7 60.0 -9.5 -23.4 31 38 A H E > -B 12 0A 27 5,-2.8 4,-2.3 -2,-0.4 -19,-0.2 -0.432 29.1-135.3 -60.5 128.8 58.6 -6.1 -24.6 32 39 A R T 4 S+ 0 0 136 -21,-2.9 -1,-0.2 -2,-0.2 -20,-0.1 0.632 97.1 34.5 -66.9 -14.2 60.1 -5.9 -28.1 33 40 A K T 4 S+ 0 0 187 -22,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.772 130.6 23.2-105.5 -36.5 61.1 -2.2 -27.6 34 41 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.535 89.6-126.2-113.5 -18.0 62.2 -1.8 -24.0 35 42 A G < + 0 0 9 -4,-2.3 -3,-0.1 1,-0.3 -23,-0.0 0.343 50.0 162.0 83.4 -3.3 63.1 -5.3 -22.9 36 43 A Q - 0 0 78 -6,-0.2 -5,-2.8 -5,-0.1 2,-0.3 -0.195 37.7-127.0 -53.5 126.3 60.7 -5.1 -20.0 37 44 A K E +C 30 0A 73 -7,-0.2 52,-1.5 -3,-0.1 2,-0.3 -0.626 36.0 170.6 -81.3 139.0 60.0 -8.6 -18.8 38 45 A V E -CD 29 88A 0 -9,-3.0 -9,-2.7 -2,-0.3 2,-0.5 -0.880 32.3-121.8-138.6 167.1 56.4 -9.7 -18.4 39 46 A A E -CD 28 87A 12 48,-2.9 48,-3.2 -2,-0.3 2,-0.5 -0.974 22.6-156.1-110.9 127.9 54.2 -12.8 -17.8 40 47 A L E -CD 27 86A 0 -13,-2.5 -13,-2.3 -2,-0.5 2,-0.6 -0.908 6.1-169.2-107.2 121.4 51.6 -13.7 -20.4 41 48 A K E -CD 26 85A 38 44,-2.7 44,-2.6 -2,-0.5 -15,-0.2 -0.949 15.0-144.8-110.7 114.2 48.6 -15.7 -19.2 42 49 A K E - D 0 84A 51 -17,-2.1 2,-1.0 -2,-0.6 -17,-0.2 -0.533 17.2-122.9 -76.3 143.0 46.6 -17.1 -22.1 43 50 A V - 0 0 15 40,-2.7 40,-0.4 -2,-0.2 2,-0.1 -0.793 33.0-135.7 -86.7 105.4 42.8 -17.3 -21.6 44 51 A L - 0 0 93 -2,-1.0 -3,-0.0 1,-0.1 -1,-0.0 -0.375 23.9-175.7 -70.2 137.4 42.1 -20.9 -22.2 45 52 A M > + 0 0 96 -2,-0.1 3,-1.2 7,-0.1 2,-0.3 0.184 33.9 127.0-126.7 13.3 39.1 -21.8 -24.3 46 53 A E T 3 S+ 0 0 163 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.594 89.3 6.7 -69.6 134.6 38.6 -25.5 -24.4 47 54 A N T 3 S+ 0 0 145 -2,-0.3 2,-0.9 1,-0.2 -1,-0.3 0.868 88.2 145.7 58.4 36.9 35.1 -26.4 -23.3 48 55 A E < + 0 0 76 -3,-1.2 3,-0.4 1,-0.1 -1,-0.2 -0.842 9.7 159.1-105.2 90.1 34.2 -22.8 -23.3 49 56 A K + 0 0 181 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.477 63.7 59.5 -89.6 -6.1 30.6 -23.1 -24.5 50 57 A E S S- 0 0 70 1,-0.5 -1,-0.2 -3,-0.1 4,-0.1 -0.300 105.6-109.9-124.6 46.8 29.4 -19.7 -23.1 51 58 A G S S+ 0 0 5 -3,-0.4 -1,-0.5 -6,-0.1 3,-0.1 -0.216 87.6 17.5 59.3-150.5 31.6 -17.3 -24.8 52 59 A F S S- 0 0 6 367,-0.2 5,-0.1 1,-0.1 -7,-0.1 -0.382 99.8 -98.0 -59.6 121.6 34.4 -15.4 -23.0 53 60 A P >> - 0 0 7 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.028 19.6-143.2 -51.8 123.8 34.9 -17.3 -19.7 54 61 A I H 3> S+ 0 0 43 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.761 103.1 60.4 -58.6 -26.7 33.1 -15.8 -16.8 55 62 A T H 3> S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.855 101.4 49.6 -70.4 -37.7 36.1 -16.7 -14.8 56 63 A A H <> S+ 0 0 10 -3,-0.7 4,-2.6 1,-0.2 5,-0.2 0.858 108.6 56.3 -66.4 -37.9 38.5 -14.5 -16.9 57 64 A L H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.901 108.1 46.0 -59.7 -44.9 36.0 -11.8 -16.4 58 65 A R H X S+ 0 0 36 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.930 114.8 45.1 -65.7 -46.7 36.2 -12.1 -12.5 59 66 A E H X S+ 0 0 10 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.934 116.0 46.1 -64.2 -47.4 39.9 -12.2 -12.4 60 67 A I H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.900 114.4 49.2 -56.8 -43.7 40.3 -9.3 -14.8 61 68 A K H X S+ 0 0 51 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.950 117.4 42.6 -59.9 -46.0 37.6 -7.4 -12.9 62 69 A I H >X S+ 0 0 2 -4,-3.3 4,-2.2 1,-0.2 3,-0.6 0.903 112.2 48.9 -67.0 -50.4 39.4 -8.2 -9.6 63 70 A L H 3< S+ 0 0 1 -4,-3.2 11,-0.4 1,-0.2 -1,-0.2 0.744 106.7 58.7 -59.8 -32.3 43.1 -7.5 -10.7 64 71 A Q H 3< S+ 0 0 63 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.785 111.5 43.0 -68.7 -29.9 42.0 -4.2 -12.2 65 72 A L H << S+ 0 0 81 -4,-0.7 2,-0.9 -3,-0.6 -2,-0.2 0.870 99.1 76.8 -77.9 -46.1 40.8 -3.3 -8.8 66 73 A L < + 0 0 2 -4,-2.2 2,-0.5 2,-0.0 -1,-0.1 -0.634 51.5 163.7 -84.8 105.0 43.7 -4.5 -6.7 67 74 A K + 0 0 99 -2,-0.9 2,-0.3 6,-0.1 6,-0.1 -0.894 22.8 125.8-123.7 103.0 46.6 -2.2 -6.9 68 75 A H > - 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0 0 30 -2,-2.2 4,-1.8 1,-0.1 5,-0.2 -0.408 63.3-143.7 -59.3 123.6 61.6 -19.2 18.1 250 286 A P H > S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.868 94.9 48.8 -53.9 -50.2 58.8 -18.6 20.6 251 287 A Y H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 27,-0.2 0.909 109.1 50.3 -64.6 -48.5 57.1 -15.7 18.8 252 288 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 110.5 51.3 -54.1 -46.5 57.0 -17.4 15.4 253 289 A L H X S+ 0 0 19 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.891 107.0 53.8 -62.2 -38.0 55.4 -20.5 16.9 254 290 A D H X S+ 0 0 40 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.916 108.0 47.0 -66.8 -43.5 52.7 -18.5 18.7 255 291 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.925 109.2 55.4 -62.6 -42.3 51.4 -16.7 15.6 256 292 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.870 106.0 52.6 -59.0 -38.4 51.3 -19.9 13.7 257 293 A D H < S+ 0 0 60 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.862 110.8 46.4 -63.4 -36.8 49.1 -21.3 16.5 258 294 A K H < S+ 0 0 93 -4,-1.6 10,-2.0 -3,-0.3 3,-0.5 0.744 113.1 48.5 -82.3 -20.4 46.7 -18.3 16.1 259 295 A L H < S+ 0 0 0 -4,-2.3 2,-0.8 1,-0.2 -65,-0.2 0.879 109.3 53.4 -77.2 -45.6 46.6 -18.6 12.3 260 296 A L S < S+ 0 0 3 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.2 -0.308 80.8 143.5 -86.1 48.1 45.9 -22.3 12.4 261 297 A V - 0 0 34 -2,-0.8 6,-0.2 -3,-0.5 -3,-0.1 -0.748 49.3-140.5 -90.7 137.4 42.9 -21.9 14.8 262 298 A L S S+ 0 0 6 -2,-0.4 -86,-0.3 -39,-0.2 -1,-0.1 0.972 87.7 66.1 -65.3 -55.9 40.0 -24.3 14.3 263 299 A D S >> S- 0 0 18 -33,-0.3 3,-1.8 1,-0.2 4,-1.0 -0.561 75.1-151.3 -72.0 112.1 37.2 -21.8 14.9 264 300 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.736 96.7 55.2 -51.8 -30.0 37.4 -19.2 12.0 265 301 A A T 34 S+ 0 0 92 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.639 112.8 42.0 -84.5 -16.8 35.9 -16.5 14.2 266 302 A Q T <4 S+ 0 0 120 -3,-1.8 2,-0.4 2,-0.1 -1,-0.2 0.448 93.0 105.5-102.0 -7.4 38.6 -17.1 16.7 267 303 A R S < S- 0 0 11 -4,-1.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.637 81.8-107.0 -73.3 129.7 41.2 -17.4 13.9 268 304 A I - 0 0 23 -10,-2.0 2,-0.2 -2,-0.4 -1,-0.1 -0.069 32.2-135.4 -56.9 147.1 43.4 -14.3 13.8 269 305 A D > - 0 0 71 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.525 26.9 -97.3-103.1 174.0 42.9 -11.8 11.0 270 306 A S H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 -148,-0.1 0.828 118.6 53.4 -58.8 -37.3 45.4 -10.0 8.8 271 307 A D H > S+ 0 0 88 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.964 113.1 40.1 -67.9 -49.1 45.3 -6.8 11.0 272 308 A D H >> S+ 0 0 87 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.876 112.4 55.7 -70.2 -34.0 46.1 -8.4 14.3 273 309 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 6,-0.2 0.907 103.5 54.5 -64.5 -42.0 48.7 -10.8 12.9 274 310 A L H 3< S+ 0 0 31 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 109.8 50.7 -59.5 -26.5 50.7 -7.8 11.4 275 311 A N H << S+ 0 0 108 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.588 83.2 123.1 -84.8 -18.2 50.7 -6.5 14.9 276 312 A H S X< S- 0 0 22 -3,-1.2 3,-2.4 -4,-0.7 4,-0.3 -0.118 75.7-116.7 -52.9 143.8 51.9 -9.7 16.4 277 313 A D G >> S+ 0 0 99 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.721 107.2 80.8 -58.6 -21.8 55.1 -9.3 18.4 278 314 A F G 34 S+ 0 0 0 1,-0.3 3,-0.4 -27,-0.2 -1,-0.3 0.845 98.6 40.1 -52.3 -33.3 56.8 -11.6 15.9 279 315 A F G <4 S+ 0 0 1 -3,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 0.477 117.5 50.4 -95.6 -1.2 57.2 -8.5 13.6 280 316 A W T <4 S+ 0 0 159 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.106 99.4 68.0-129.3 18.4 58.1 -6.2 16.5 281 317 A S S < S- 0 0 20 -4,-0.5 0, 0.0 -3,-0.4 0, 0.0 -0.875 88.9 -40.6-130.7 164.3 60.8 -8.0 18.3 282 318 A D S S+ 0 0 132 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.501 117.1 42.1 -77.4 145.4 64.5 -8.9 17.3 283 319 A P S S- 0 0 56 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.387 93.4-146.2 -74.6 130.1 65.7 -9.9 14.9 284 320 A M - 0 0 86 1,-0.1 -172,-0.1 -4,-0.1 -4,-0.1 -0.276 34.8 -79.9 -61.6 153.6 63.4 -7.3 13.1 285 321 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 -176,-0.2 -0.243 57.6-160.9 -54.3 139.5 62.1 -8.2 9.7 286 322 A S - 0 0 37 -178,-2.1 -174,-0.2 -3,-0.1 -173,-0.1 -0.860 19.5 -91.4-127.8 158.3 64.8 -7.6 7.0 287 323 A D - 0 0 103 -2,-0.3 2,-0.9 1,-0.1 3,-0.3 -0.178 40.0-109.4 -67.2 162.3 65.0 -7.1 3.3 288 324 A L S S+ 0 0 8 -143,-0.3 -1,-0.1 -144,-0.3 -183,-0.0 -0.820 71.1 117.3 -99.7 102.9 65.5 -10.0 0.9 289 325 A K S S+ 0 0 163 -2,-0.9 3,-0.4 3,-0.1 -1,-0.2 0.583 77.1 33.7-127.1 -63.2 69.0 -9.7 -0.6 290 326 A G S S+ 0 0 69 -3,-0.3 -186,-0.2 1,-0.3 -2,-0.1 0.668 107.1 67.1 -80.5 -20.2 71.1 -12.7 0.4 291 327 A M 0 0 11 -188,-0.1 -187,-0.3 -185,-0.0 -1,-0.3 0.880 360.0 360.0 -61.2 -32.8 68.2 -15.1 0.3 292 328 A L 0 0 74 -3,-0.4 -2,-0.2 -189,-0.1 -3,-0.1 0.598 360.0 360.0-115.7 360.0 68.4 -14.1 -3.4 293 !* 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 0.0 294 9 B N 0 0 200 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.1 40.1 8.5 -16.2 295 10 B K > + 0 0 185 2,-0.1 3,-0.6 1,-0.0 0, 0.0 0.046 360.0 103.5-119.9 14.4 38.8 10.7 -19.1 296 11 B R T 3 S+ 0 0 108 1,-0.2 -1,-0.0 3,-0.0 0, 0.0 0.953 88.6 32.7 -61.7 -48.6 39.1 7.9 -21.5 297 12 B W T 3 S+ 0 0 6 2,-0.0 2,-0.4 132,-0.0 -1,-0.2 0.083 104.4 86.3-104.3 23.2 35.4 7.2 -21.5 298 13 B Y < - 0 0 62 -3,-0.6 2,-0.3 177,-0.1 177,-0.2 -0.996 60.6-167.6-119.3 132.4 34.2 10.7 -21.0 299 14 B F - 0 0 23 175,-3.2 2,-0.1 -2,-0.4 -2,-0.0 -0.791 18.9-123.2-123.4 150.3 33.8 12.9 -24.0 300 15 B T > - 0 0 79 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.432 38.3-104.2 -80.5 164.9 33.2 16.6 -24.7 301 16 B R H > S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.816 124.7 54.0 -62.3 -33.1 30.2 17.8 -26.7 302 17 B E H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.846 105.0 52.1 -67.9 -37.1 32.5 18.3 -29.7 303 18 B Q H 4 S+ 0 0 92 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.888 107.3 54.7 -63.0 -35.9 33.8 14.7 -29.4 304 19 B L H >< S+ 0 0 22 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.801 103.6 54.8 -67.8 -34.2 30.2 13.6 -29.5 305 20 B E H 3< S+ 0 0 89 -4,-1.3 2,-1.8 1,-0.2 -2,-0.2 0.971 107.8 49.4 -63.1 -54.0 29.6 15.4 -32.7 306 21 B N T 3< S+ 0 0 119 -4,-1.9 -1,-0.2 4,-0.1 -2,-0.1 -0.329 82.6 155.2 -84.6 63.6 32.5 13.6 -34.5 307 22 B S <> - 0 0 2 -2,-1.8 4,-1.3 -3,-0.6 3,-0.2 -0.404 60.0-105.0 -82.5 162.2 31.4 10.2 -33.4 308 23 B P H > S+ 0 0 26 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.878 123.9 52.0 -52.8 -40.2 32.4 7.1 -35.5 309 24 B S H >4>S+ 0 0 0 46,-0.5 5,-1.8 49,-0.4 3,-1.7 0.892 101.4 59.3 -65.3 -38.6 28.9 6.9 -36.9 310 25 B R H >45S+ 0 0 41 1,-0.3 3,-1.4 -3,-0.2 -1,-0.2 0.820 98.0 62.5 -57.1 -35.2 29.0 10.6 -37.9 311 26 B R H 3<5S+ 0 0 182 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.728 102.6 47.9 -65.2 -25.8 32.0 9.7 -40.1 312 27 B F T <<5S- 0 0 107 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.162 129.4 -93.5-105.6 22.3 29.8 7.3 -42.1 313 28 B G T < 5S+ 0 0 55 -3,-1.4 2,-0.6 1,-0.3 -3,-0.2 0.466 72.3 149.1 86.7 17.1 27.1 9.9 -42.6 314 29 B V < - 0 0 14 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.621 47.1-123.8 -81.7 118.6 24.7 9.1 -39.7 315 30 B D > - 0 0 102 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.119 18.4-114.3 -52.9 155.0 23.0 12.3 -38.6 316 31 B P H > S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.880 118.1 47.2 -51.9 -52.6 23.3 13.4 -34.9 317 32 B D H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.860 112.1 49.1 -62.6 -43.9 19.6 12.9 -34.4 318 33 B K H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.923 107.0 56.3 -60.8 -46.0 19.6 9.5 -36.1 319 34 B E H X S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.876 105.3 51.8 -61.1 -38.3 22.6 8.4 -34.0 320 35 B L H X S+ 0 0 59 -4,-1.6 4,-3.3 2,-0.2 -1,-0.3 0.887 108.5 51.8 -61.8 -39.7 20.6 9.2 -30.8 321 36 B S H X S+ 0 0 40 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.949 106.2 52.8 -61.4 -45.9 17.8 7.1 -32.1 322 37 B Y H X S+ 0 0 66 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.898 113.7 44.4 -55.6 -40.2 20.1 4.3 -32.7 323 38 B R H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 114.1 47.8 -68.5 -46.9 21.2 4.6 -29.1 324 39 B Q H X S+ 0 0 36 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.894 111.5 52.0 -63.4 -37.4 17.7 5.0 -27.6 325 40 B Q H X S+ 0 0 103 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.890 108.6 49.7 -68.9 -39.3 16.5 2.0 -29.6 326 41 B A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.932 108.4 53.6 -63.4 -42.9 19.3 -0.2 -28.4 327 42 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 141,-0.2 -2,-0.2 0.917 108.8 50.3 -60.1 -38.7 18.6 0.8 -24.8 328 43 B N H X S+ 0 0 78 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.953 109.5 49.9 -62.0 -45.0 14.9 -0.2 -25.4 329 44 B L H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.880 112.4 47.8 -60.6 -41.4 16.0 -3.6 -26.8 330 45 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.904 112.5 49.0 -63.5 -40.3 18.2 -4.1 -23.8 331 46 B Q H X S+ 0 0 25 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.926 114.3 45.1 -68.5 -43.1 15.5 -3.1 -21.4 332 47 B D H X S+ 0 0 53 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.932 116.7 44.1 -60.9 -54.4 13.0 -5.4 -23.1 333 48 B M H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.886 112.1 54.4 -57.9 -43.5 15.3 -8.4 -23.3 334 49 B G H <>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 4,-0.4 0.866 107.4 48.9 -62.0 -39.5 16.5 -7.8 -19.7 335 50 B Q H ><5S+ 0 0 120 -4,-1.6 3,-0.6 3,-0.2 -1,-0.2 0.908 114.2 45.9 -66.5 -43.9 13.0 -7.9 -18.3 336 51 B R H 3<5S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.813 112.6 49.9 -66.7 -33.7 12.2 -11.2 -20.2 337 52 B L T 3<5S- 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.506 111.4-127.3 -82.2 -8.9 15.5 -12.7 -19.1 338 53 B N T < 5 + 0 0 132 -3,-0.6 2,-0.2 -4,-0.4 -3,-0.2 0.873 55.4 148.8 60.9 40.5 14.7 -11.7 -15.6 339 54 B V < - 0 0 14 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.0 -0.592 50.7 -93.1 -89.8 167.0 18.0 -9.8 -14.9 340 55 B S > - 0 0 38 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.239 27.0-115.3 -75.1 162.2 18.2 -6.8 -12.7 341 56 B Q H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.864 117.4 61.1 -63.2 -36.1 18.0 -3.2 -13.8 342 57 B L H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 104.7 46.3 -53.2 -47.5 21.6 -2.9 -12.7 343 58 B T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 112.0 51.0 -63.1 -44.9 22.7 -5.5 -15.2 344 59 B I H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.877 110.8 50.5 -56.7 -44.5 20.6 -3.9 -17.9 345 60 B N H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.866 105.8 54.0 -60.9 -44.3 22.2 -0.6 -17.1 346 61 B T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.954 109.1 49.3 -57.6 -46.0 25.7 -2.0 -17.3 347 62 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.824 107.6 54.7 -62.3 -35.5 24.9 -3.2 -20.8 348 63 B I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.916 109.4 46.6 -65.1 -41.4 23.5 0.2 -21.8 349 64 B V H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.886 110.0 53.7 -65.1 -42.9 26.8 1.9 -20.8 350 65 B Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.928 112.0 46.3 -53.0 -51.7 28.8 -0.8 -22.6 351 66 B M H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.893 111.3 50.6 -58.0 -47.9 26.7 0.0 -25.7 352 67 B H H < S+ 0 0 2 -4,-2.5 3,-0.2 2,-0.2 -2,-0.2 0.944 115.0 42.9 -58.0 -48.4 27.1 3.8 -25.3 353 68 B R H >< S+ 0 0 21 -4,-2.7 3,-2.1 1,-0.2 4,-0.5 0.921 107.6 60.2 -64.5 -45.1 30.8 3.5 -25.0 354 69 B F H >X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.3 3,-1.2 0.855 102.8 52.8 -51.2 -39.4 31.1 1.0 -27.8 355 70 B Y T 3< S+ 0 0 0 -4,-1.6 -46,-0.5 1,-0.3 -1,-0.3 0.400 95.8 66.1 -86.6 2.4 29.6 3.5 -30.2 356 71 B M T <4 S+ 0 0 15 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.499 118.6 26.8 -83.5 -12.2 32.1 6.2 -29.3 357 72 B I T <4 S+ 0 0 22 -3,-1.2 -2,-0.2 -4,-0.5 2,-0.2 0.689 124.9 48.2-115.3 -42.9 34.6 3.8 -30.9 358 73 B Q S < S- 0 0 5 -4,-3.6 -49,-0.4 -5,-0.2 2,-0.4 -0.647 78.3-119.3-103.8 164.7 32.5 1.9 -33.4 359 74 B S >> - 0 0 3 -51,-0.2 4,-2.5 -2,-0.2 3,-1.4 -0.748 8.0-139.6-104.1 140.3 29.9 3.0 -36.0 360 75 B F T 34 S+ 0 0 13 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.852 105.0 65.4 -61.7 -30.6 26.2 2.1 -36.2 361 76 B T T 34 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.1 -52,-0.0 0.628 113.5 30.5 -68.2 -12.4 26.7 1.8 -39.9 362 77 B Q T <4 S+ 0 0 98 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.641 128.5 37.4-116.1 -28.2 29.0 -1.2 -39.3 363 78 B F S < S- 0 0 18 -4,-2.5 -1,-0.2 -8,-0.0 -2,-0.1 -0.881 78.7-148.3-127.5 103.3 27.5 -2.6 -36.0 364 79 B P >> - 0 0 66 0, 0.0 4,-2.2 0, 0.0 3,-1.6 -0.322 20.4-124.0 -62.3 141.0 23.7 -2.5 -35.7 365 80 B G H 3> S+ 0 0 13 1,-0.3 4,-3.6 2,-0.2 -5,-0.0 0.861 110.4 63.7 -52.0 -39.3 22.1 -2.1 -32.3 366 81 B N H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 31,-0.1 0.618 110.3 37.6 -66.3 -16.7 20.1 -5.3 -32.8 367 82 B S H <> S+ 0 0 57 -3,-1.6 4,-1.1 2,-0.1 -1,-0.2 0.775 120.0 45.2 -96.6 -41.1 23.4 -7.3 -33.0 368 83 B V H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.868 102.7 64.1 -74.2 -39.5 25.3 -5.4 -30.3 369 84 B A H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.935 104.7 44.6 -54.3 -55.1 22.5 -5.2 -27.7 370 85 B P H > S+ 0 0 8 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.918 116.1 46.9 -56.4 -45.2 22.2 -9.0 -27.1 371 86 B A H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.910 112.9 48.9 -61.6 -44.6 26.0 -9.4 -27.0 372 87 B A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.947 116.1 44.1 -60.0 -42.7 26.4 -6.4 -24.6 373 88 B L H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.886 110.3 53.2 -71.3 -42.2 23.6 -7.8 -22.4 374 89 B F H X S+ 0 0 0 -4,-3.1 4,-1.2 -5,-0.2 10,-0.3 0.906 115.7 42.5 -55.7 -43.6 24.9 -11.4 -22.6 375 90 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 111.2 53.0 -68.8 -48.2 28.3 -10.0 -21.4 376 91 B A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.814 105.1 56.3 -61.3 -34.6 26.9 -7.6 -18.8 377 92 B A H <>S+ 0 0 2 -4,-2.2 5,-3.2 2,-0.2 -1,-0.2 0.913 110.0 45.1 -64.6 -40.9 25.0 -10.5 -17.2 378 93 B K H ><5S+ 0 0 6 -4,-1.2 3,-1.9 3,-0.2 -2,-0.2 0.968 114.6 48.5 -62.1 -50.0 28.2 -12.5 -16.8 379 94 B V H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.835 113.2 46.7 -60.7 -38.0 30.1 -9.4 -15.4 380 95 B E T 3<5S- 0 0 56 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.280 117.3-110.9 -91.1 10.1 27.3 -8.6 -13.0 381 96 B E T < 5S+ 0 0 60 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.876 92.2 104.7 63.6 40.1 27.0 -12.3 -11.7 382 97 B Q < - 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