==== 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 REGULATOR/ANTIBIOTIC 05-JAN-11 3Q7Z . COMPND 2 MOLECULE: BETA-LACTAMASE REGULATORY PROTEIN BLAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR O.Y.BORBULEVYCH,S.MOBASHERY,B.M.BAKER . 504 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 1 1 1 0 3 4 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 5 2 2 0 2 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 1 332 A Q 0 0 168 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -65.2 6.4 12.4 35.8 2 333 A S > - 0 0 52 1,-0.1 3,-1.0 0, 0.0 4,-0.2 -0.197 360.0 -89.0 -86.1-177.7 6.1 16.1 34.5 3 334 A I T 3 S+ 0 0 163 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.692 128.0 37.7 -61.3 -23.7 3.4 18.7 34.9 4 335 A T T > S+ 0 0 61 1,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.353 89.0 95.8-112.5 2.3 1.6 17.6 31.7 5 336 A D T < S+ 0 0 15 -3,-1.0 129,-0.2 1,-0.2 -2,-0.1 0.570 86.1 47.0 -74.4 -6.7 2.2 13.8 32.1 6 337 A Y T 3 S+ 0 0 122 -4,-0.2 47,-2.7 -3,-0.2 2,-0.3 0.427 110.0 46.6-116.2 -1.5 -1.2 13.2 33.6 7 338 A N B < -A 52 0A 79 -3,-0.9 2,-0.5 45,-0.3 45,-0.2 -0.990 58.3-143.3-142.5 154.0 -3.6 15.1 31.3 8 339 A Y + 0 0 26 43,-2.2 146,-0.1 -2,-0.3 -3,-0.0 -0.970 25.7 166.8-112.4 117.9 -4.4 15.7 27.7 9 340 A K + 0 0 165 -2,-0.5 -1,-0.1 -5,-0.1 42,-0.0 0.440 28.7 125.2-115.8 -2.2 -5.4 19.4 27.2 10 341 A K - 0 0 121 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.391 65.4-112.6 -62.8 128.7 -5.3 19.7 23.4 11 342 A P - 0 0 74 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.303 15.6-124.5 -64.6 146.1 -8.7 21.0 22.1 12 343 A L - 0 0 30 1,-0.1 4,-0.1 2,-0.1 30,-0.0 -0.862 21.4-168.6 -84.0 113.8 -11.0 18.9 20.0 13 344 A H + 0 0 156 -2,-0.8 -1,-0.1 2,-0.1 3,-0.1 0.459 60.5 88.8 -84.2 2.2 -11.5 21.1 17.0 14 345 A N S S- 0 0 59 1,-0.1 2,-0.4 0, 0.0 27,-0.1 -0.027 93.0 -83.9 -83.9-178.2 -14.3 18.8 15.9 15 346 A D E -b 41 0B 129 25,-0.7 27,-2.1 24,-0.1 2,-0.3 -0.799 53.9-173.0 -80.2 133.3 -18.0 18.5 16.5 16 347 A Y E -b 42 0B 100 -2,-0.4 2,-0.4 25,-0.2 27,-0.2 -0.989 17.5-152.0-136.8 151.7 -18.6 16.7 19.8 17 348 A Q E -b 43 0B 105 25,-1.9 27,-2.8 -2,-0.3 2,-0.3 -0.975 16.1-134.4-123.8 125.0 -21.6 15.4 21.8 18 349 A I E -b 44 0B 135 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.620 26.7-160.6 -75.5 132.6 -21.9 15.1 25.6 19 350 A L E -b 45 0B 18 25,-2.8 27,-0.5 -2,-0.3 2,-0.5 -0.788 16.6-147.4-111.0 159.1 -23.4 11.7 26.6 20 351 A D + 0 0 118 -2,-0.3 3,-0.2 25,-0.1 25,-0.1 -0.851 36.1 147.8-124.9 95.3 -25.0 10.6 29.9 21 352 A K > + 0 0 32 -2,-0.5 4,-2.0 1,-0.1 3,-0.4 -0.027 30.5 121.4-111.5 29.9 -24.2 6.9 30.4 22 353 A S H > + 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.816 69.9 57.6 -65.5 -32.5 -24.1 7.1 34.2 23 354 A K H 4 S+ 0 0 201 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.875 110.1 44.3 -65.3 -37.9 -26.9 4.5 34.6 24 355 A I H 4 S+ 0 0 17 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.7 52.1 -72.6 -38.9 -24.8 2.0 32.7 25 356 A F H >< S+ 0 0 2 -4,-2.0 3,-1.9 1,-0.2 2,-0.2 0.888 85.2 168.0 -65.5 -37.1 -21.6 2.9 34.6 26 357 A G T 3< - 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 -0.435 68.0 -6.3 65.9-123.6 -23.5 2.3 37.8 27 358 A S T 3 S+ 0 0 108 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.415 117.9 94.8 -86.6 -0.4 -21.2 2.2 40.8 28 359 A N < - 0 0 21 -3,-1.9 2,-0.4 202,-0.2 202,-0.2 -0.675 65.9-144.6 -89.0 145.8 -18.1 2.3 38.6 29 360 A S E +C 229 0B 56 200,-2.1 199,-2.2 -2,-0.3 200,-1.3 -0.883 46.9 78.2-108.0 146.4 -16.3 5.6 37.7 30 361 A G E -C 227 0B 1 -2,-0.4 2,-0.3 197,-0.3 197,-0.2 -0.995 61.7 -79.7 159.5-151.2 -14.7 6.5 34.4 31 362 A S E -C 226 0B 0 195,-2.0 195,-2.2 -2,-0.3 2,-0.4 -0.941 15.0-150.0-146.0 162.1 -15.4 7.6 30.8 32 363 A F E -CD 225 45B 0 13,-1.7 13,-2.7 -2,-0.3 2,-0.4 -0.998 14.2-176.1-134.2 139.5 -16.5 6.5 27.4 33 364 A V E +CD 224 44B 0 191,-2.4 191,-2.3 -2,-0.4 2,-0.3 -0.998 2.5 178.7-133.4 135.4 -15.4 8.1 24.1 34 365 A M E -CD 223 43B 4 9,-2.3 9,-2.5 -2,-0.4 2,-0.4 -0.992 9.4-162.7-134.2 148.6 -16.5 7.2 20.6 35 366 A Y E -CD 222 42B 10 187,-2.8 187,-2.0 -2,-0.3 2,-0.5 -0.999 9.2-149.6-127.4 134.5 -15.7 8.6 17.1 36 367 A S E >> -CD 221 41B 3 5,-2.2 4,-1.4 -2,-0.4 5,-1.2 -0.903 3.7-155.0-103.3 126.4 -17.7 8.1 14.0 37 368 A M T 45S+ 0 0 63 183,-2.5 -1,-0.1 -2,-0.5 184,-0.1 0.877 96.1 46.4 -62.2 -43.5 -15.7 8.1 10.7 38 369 A A T 45S+ 0 0 78 182,-0.3 -1,-0.2 1,-0.2 183,-0.1 0.886 120.1 38.2 -70.1 -38.1 -18.8 9.1 8.6 39 370 A A T 45S- 0 0 47 2,-0.2 -1,-0.2 -24,-0.0 -2,-0.2 0.660 92.6-142.9 -85.2 -16.8 -19.8 11.9 11.0 40 371 A D T <5 + 0 0 81 -4,-1.4 -25,-0.7 1,-0.2 2,-0.4 0.930 61.5 128.8 46.5 51.5 -16.2 13.0 11.8 41 372 A A E < -bD 15 36B 12 -5,-1.2 -5,-2.2 -27,-0.1 2,-0.3 -0.988 56.0-137.1-140.3 143.9 -17.6 13.5 15.3 42 373 A Y E -bD 16 35B 5 -27,-2.1 -25,-1.9 -2,-0.4 2,-0.4 -0.750 8.9-162.9 -99.4 150.2 -16.8 12.6 18.8 43 374 A Y E -bD 17 34B 46 -9,-2.5 -9,-2.3 -2,-0.3 2,-0.4 -0.995 18.6-175.3-132.9 120.1 -19.3 11.4 21.5 44 375 A I E -bD 18 33B 0 -27,-2.8 -25,-2.8 -2,-0.4 2,-0.5 -0.973 24.2-162.1-133.4 127.9 -18.1 11.5 25.1 45 376 A Y E S+bD 19 32B 27 -13,-2.7 -13,-1.7 -2,-0.4 -25,-0.1 -0.945 88.5 4.4 -99.1 127.6 -19.4 10.5 28.5 46 377 A N S > S- 0 0 66 -2,-0.5 4,-2.1 -27,-0.5 -1,-0.2 0.990 72.1-170.7 63.0 67.7 -17.4 12.3 31.3 47 378 A E H > S+ 0 0 53 -3,-0.3 4,-0.6 2,-0.2 107,-0.1 0.846 81.6 52.3 -57.5 -42.7 -15.2 14.6 29.2 48 379 A K H >4 S+ 0 0 157 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.945 113.1 44.7 -56.7 -49.1 -13.0 15.8 32.1 49 380 A E H >4 S+ 0 0 29 1,-0.3 3,-1.4 2,-0.2 104,-0.3 0.855 104.9 63.8 -68.3 -31.6 -12.3 12.2 33.1 50 381 A S H 3< S+ 0 0 0 -4,-2.1 104,-2.7 1,-0.3 105,-0.4 0.647 100.7 53.2 -68.5 -14.6 -11.7 11.3 29.5 51 382 A R T << S+ 0 0 32 -3,-1.2 -43,-2.2 -4,-0.6 2,-0.3 0.449 82.1 104.4-101.0 -4.1 -8.7 13.6 29.4 52 383 A K B < S-A 7 0A 74 -3,-1.4 101,-0.6 -4,-0.3 2,-0.4 -0.641 71.3-129.3 -76.6 134.7 -6.9 12.2 32.5 53 384 A R E +O 152 0C 31 -47,-2.7 2,-0.3 -2,-0.3 99,-0.3 -0.712 32.5 171.0 -91.1 132.9 -3.9 10.0 31.5 54 385 A Y E -O 151 0C 53 97,-2.4 97,-2.8 -2,-0.4 153,-0.0 -0.921 45.2 -79.6-132.4 159.1 -3.6 6.5 32.9 55 386 A S - 0 0 2 -2,-0.3 95,-0.2 95,-0.3 89,-0.1 -0.336 35.0-141.7 -54.0 134.1 -1.3 3.6 32.2 56 387 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.687 30.9-178.6 -73.7 -15.1 -2.5 1.8 29.1 57 388 A N G > - 0 0 2 87,-1.6 3,-1.8 1,-0.3 4,-0.2 -0.205 68.4 -5.3 47.1-134.0 -1.7 -1.7 30.6 58 389 A S G > S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.608 121.7 77.0 -69.0 -13.3 -2.6 -4.5 28.1 59 390 A T G X S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.2 4,-0.4 0.787 82.0 69.4 -65.1 -24.0 -4.2 -2.1 25.5 60 391 A Y G X> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 3,-0.8 0.678 76.4 81.8 -65.3 -14.0 -0.6 -1.1 24.5 61 392 A K H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.749 80.7 67.0 -63.7 -21.8 -0.3 -4.6 23.1 62 393 A I H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.2 -1,-0.3 0.936 107.4 38.0 -51.6 -49.4 -2.1 -3.1 20.1 63 394 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.4 -2,-0.2 0.860 113.9 53.5 -78.8 -38.7 1.0 -0.9 19.5 64 395 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 110.0 50.1 -62.4 -39.4 3.6 -3.7 20.4 65 396 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.2 46.3 -61.2 -47.4 1.9 -5.9 17.8 66 397 A M H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.901 114.7 47.4 -62.8 -40.5 2.0 -3.2 15.1 67 398 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.866 111.0 51.5 -66.5 -38.7 5.7 -2.4 16.0 68 399 A G H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 6,-1.7 0.847 113.8 44.8 -68.9 -34.5 6.5 -6.2 15.9 69 400 A L H ><5S+ 0 0 11 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.926 112.3 50.6 -71.7 -46.9 4.9 -6.4 12.5 70 401 A D H 3<5S+ 0 0 39 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.841 114.3 44.5 -60.5 -36.0 6.6 -3.2 11.2 71 402 A R T 3<5S- 0 0 105 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.321 112.7-118.3 -93.8 7.0 10.0 -4.4 12.3 72 403 A H T < 5S+ 0 0 149 -3,-1.4 -3,-0.2 2,-0.2 -4,-0.1 0.716 75.5 131.2 60.4 26.7 9.5 -8.0 11.0 73 404 A I S > S- 0 0 119 1,-0.1 3,-2.0 0, 0.0 4,-0.6 -0.987 73.8-147.7-120.8 125.6 -3.2 -19.3 33.5 91 422 A D G >4 S+ 0 0 123 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.816 97.3 66.8 -60.1 -28.8 -2.9 -22.5 31.4 92 423 A A G 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.684 102.0 49.1 -63.5 -18.7 -3.5 -20.4 28.2 93 424 A W G <4 S+ 0 0 36 -3,-2.0 2,-0.8 1,-0.2 -1,-0.3 0.619 93.8 77.1 -91.8 -18.9 -0.1 -18.7 28.9 94 425 A N S << S+ 0 0 21 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.272 92.0 55.5 -88.7 45.9 1.7 -22.0 29.5 95 426 A K S S- 0 0 117 -2,-0.8 -11,-0.1 -3,-0.2 -3,-0.0 -0.975 96.4 -61.3-162.2 169.4 2.0 -23.0 25.8 96 427 A E - 0 0 114 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.187 54.9-163.4 -53.4 147.6 3.2 -21.9 22.3 97 428 A Q B -P 81 0D 6 -16,-2.5 -16,-2.6 -18,-0.0 2,-0.2 -0.925 18.5-165.4-130.6 159.7 1.5 -18.7 21.0 98 429 A D > - 0 0 51 -2,-0.3 4,-2.4 -18,-0.3 5,-0.2 -0.740 51.3 -87.0-123.4-173.4 0.9 -16.8 17.8 99 430 A L H > S+ 0 0 1 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 126.8 50.8 -60.1 -42.2 -0.3 -13.2 17.4 100 431 A N H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 114.0 40.7 -60.6 -49.3 -3.9 -14.3 17.5 101 432 A T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 115.6 52.1 -69.4 -37.3 -3.7 -16.5 20.7 102 433 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.879 113.8 42.8 -66.1 -42.0 -1.5 -14.0 22.5 103 434 A M H ><5S+ 0 0 4 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.930 115.4 48.9 -68.9 -46.6 -3.8 -11.1 21.8 104 435 A Q H 3<5S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.907 122.4 33.3 -60.0 -44.2 -7.0 -13.1 22.6 105 436 A N H 3<5S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.370 105.7-124.3 -96.6 4.2 -5.6 -14.4 25.9 106 437 A S T <<5 - 0 0 18 -3,-0.7 2,-1.1 -4,-0.5 -3,-0.2 0.919 33.7-168.9 50.8 55.5 -3.5 -11.3 26.7 107 438 A V >>< - 0 0 0 -5,-2.3 4,-1.2 1,-0.2 3,-0.8 -0.623 6.8-166.0 -78.6 96.5 -0.3 -13.3 27.0 108 439 A N H 3> S+ 0 0 36 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.873 80.4 59.2 -54.4 -40.4 2.1 -10.8 28.5 109 440 A W H 3> S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 101.0 55.6 -63.5 -31.3 5.3 -12.7 27.9 110 441 A Y H <> S+ 0 0 0 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.945 112.4 41.4 -64.4 -48.6 4.8 -12.8 24.1 111 442 A F H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.835 112.1 55.8 -71.1 -31.4 4.5 -9.0 23.9 112 443 A E H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.882 105.9 51.4 -64.3 -39.2 7.4 -8.6 26.4 113 444 A R H X S+ 0 0 70 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.892 111.1 48.8 -66.5 -37.6 9.6 -10.7 24.0 114 445 A I H >X S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 4,-0.6 0.969 111.3 48.9 -60.7 -52.6 8.6 -8.4 21.1 115 446 A S H >< S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.821 102.7 62.1 -58.6 -38.4 9.3 -5.2 23.2 116 447 A D H 3< S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.764 104.7 48.8 -57.9 -29.9 12.8 -6.6 24.2 117 448 A Q H << S+ 0 0 111 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.578 93.1 91.5 -86.6 -11.6 13.8 -6.7 20.5 118 449 A I S << S- 0 0 3 -3,-1.1 2,-0.1 -4,-0.6 -50,-0.0 -0.747 76.6-131.7 -93.4 118.5 12.6 -3.1 19.9 119 450 A P >> - 0 0 47 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.387 17.5-121.5 -70.2 144.3 15.2 -0.4 20.3 120 451 A K H 3> S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 109.1 58.6 -54.1 -40.3 14.3 2.6 22.5 121 452 A N H 3> S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 105.2 50.4 -61.2 -33.3 14.9 5.1 19.7 122 453 A Y H <> S+ 0 0 21 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.946 111.6 47.3 -69.6 -47.7 12.4 3.4 17.4 123 454 A T H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.930 111.4 51.1 -57.8 -47.8 9.7 3.4 20.1 124 455 A A H X S+ 0 0 47 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.899 110.9 48.8 -57.0 -45.5 10.4 7.1 20.9 125 456 A T H X S+ 0 0 65 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.913 113.9 46.8 -56.8 -44.8 10.1 8.0 17.2 126 457 A Q H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 110.0 50.4 -70.1 -42.3 6.8 6.0 16.9 127 458 A L H X>S+ 0 0 1 -4,-3.1 5,-2.6 1,-0.2 4,-0.9 0.858 112.3 49.7 -66.1 -35.0 5.2 7.5 20.1 128 459 A K H <5S+ 0 0 148 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.945 113.7 43.8 -61.6 -53.5 6.0 11.0 18.8 129 460 A Q H <5S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 119.1 44.1 -61.3 -37.1 4.6 10.3 15.3 130 461 A L H <5S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.653 102.8-132.0 -79.8 -16.1 1.5 8.6 16.9 131 462 A N T <5 - 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0 0 117 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.184 54.8-162.2 -52.5 142.8 -14.1 -2.5 -7.1 350 428 B Q B -S 334 0G 3 -16,-2.3 -16,-2.5 4,-0.0 2,-0.3 -0.937 17.8-167.0-129.8 154.5 -13.5 -5.8 -5.2 351 429 B D > - 0 0 50 -2,-0.3 4,-2.4 -18,-0.2 5,-0.2 -0.725 51.5 -87.1-119.5-176.1 -10.9 -7.4 -3.0 352 430 B L H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.911 126.8 50.0 -57.8 -41.3 -10.9 -11.0 -2.0 353 431 B N H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 114.4 40.8 -63.8 -49.4 -13.1 -10.4 1.1 354 432 B T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 115.8 52.3 -68.7 -36.6 -15.9 -8.4 -0.7 355 433 B A H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.863 113.3 42.9 -67.4 -39.7 -15.7 -10.8 -3.7 356 434 B M H ><5S+ 0 0 4 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.924 115.2 49.2 -69.9 -48.6 -16.2 -13.9 -1.6 357 435 B Q H 3<5S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.915 121.7 33.3 -55.7 -47.6 -18.9 -12.3 0.6 358 436 B N T 3<5S- 0 0 59 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.2 0.332 105.7-125.0 -95.9 6.5 -21.0 -11.1 -2.3 359 437 B S T < 5 - 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