==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAY-09 3HCH . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA/MSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP A; . AUTHOR F.M.RANAIVOSON,B.KAUFFMANN,F.FAVIER . 290 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.7 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 . 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 4 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 1 378 A Y 0 0 202 0, 0.0 96,-0.2 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 29.8 48.1 -0.7 100.5 2 379 A K + 0 0 127 94,-1.8 94,-0.1 93,-0.2 96,-0.0 -0.340 360.0 140.5-166.2 53.3 51.2 -2.0 98.7 3 380 A K - 0 0 35 95,-0.1 3,-0.1 45,-0.0 94,-0.1 -0.951 42.0-133.8-117.4 128.3 53.3 1.0 97.7 4 381 A P - 0 0 33 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.152 41.3 -81.6 -64.4 166.9 57.2 1.5 97.8 5 382 A S > - 0 0 57 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.363 40.1-112.7 -68.4 152.4 58.9 4.6 99.2 6 383 A D H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.820 117.2 56.6 -55.0 -34.0 59.1 7.6 96.9 7 384 A A H > S+ 0 0 36 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 106.0 48.9 -68.8 -42.5 62.9 7.2 96.7 8 385 A E H > S+ 0 0 91 -3,-0.3 4,-1.1 2,-0.2 3,-0.3 0.902 112.9 48.7 -57.1 -44.0 62.6 3.7 95.4 9 386 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.896 105.0 59.5 -64.9 -40.3 60.0 4.9 92.8 10 387 A K H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 111.3 40.1 -55.7 -34.6 62.4 7.7 91.8 11 388 A R H < S+ 0 0 196 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.647 120.6 43.1 -91.6 -16.2 65.1 5.2 90.9 12 389 A T H < S+ 0 0 68 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.670 106.3 60.8-105.9 -17.6 62.7 2.7 89.2 13 390 A L S < S- 0 0 22 -4,-2.6 2,-0.1 -5,-0.1 34,-0.0 -0.736 83.6-108.9-105.7 155.5 60.4 4.9 87.2 14 391 A T > - 0 0 59 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.380 41.0-101.5 -68.9 162.7 61.0 7.3 84.3 15 392 A E H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 124.2 46.5 -53.3 -43.2 60.7 11.0 85.1 16 393 A E H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.919 112.7 48.5 -69.8 -42.9 57.3 11.1 83.4 17 394 A Q H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.919 115.8 45.8 -60.3 -43.6 56.0 7.9 85.1 18 395 A Y H X>S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.9 0.943 113.6 46.5 -61.2 -54.6 57.2 9.3 88.5 19 396 A Q H X5S+ 0 0 46 -4,-2.8 6,-2.1 -5,-0.2 4,-0.9 0.896 118.4 42.0 -62.9 -41.7 55.8 12.8 88.1 20 397 A V H X5S+ 0 0 5 -4,-2.3 4,-1.0 4,-0.3 -2,-0.2 0.966 123.1 34.5 -68.6 -53.3 52.4 11.6 86.9 21 398 A T H <5S+ 0 0 0 -4,-2.6 79,-2.5 -5,-0.3 -3,-0.2 0.905 130.8 30.4 -75.0 -36.1 51.9 8.7 89.3 22 399 A Q H <5S+ 0 0 10 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.824 134.1 27.2 -95.4 -31.8 53.6 10.2 92.4 23 400 A N H < - 0 0 202 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.422 52.3 -98.3 -60.6 137.0 50.2 17.0 77.8 29 406 A A T 3 S+ 0 0 38 1,-0.3 35,-0.2 2,-0.1 36,-0.2 -0.301 109.2 13.1 -52.0 138.5 47.1 16.0 75.8 30 407 A F T 3 S+ 0 0 133 34,-2.6 -1,-0.3 1,-0.1 35,-0.1 0.445 99.4 109.1 71.5 7.2 48.1 14.0 72.7 31 408 A S < + 0 0 70 -3,-2.0 2,-0.4 33,-0.3 -2,-0.1 0.712 57.5 71.0 -91.4 -21.1 51.6 13.4 74.0 32 409 A H S > S- 0 0 40 32,-0.4 3,-1.8 -4,-0.3 4,-0.3 -0.780 75.5-131.3-102.5 144.8 51.7 9.7 75.0 33 410 A E G > S+ 0 0 116 -2,-0.4 3,-2.6 1,-0.3 4,-0.1 0.855 103.2 69.3 -55.6 -36.4 51.6 6.8 72.5 34 411 A Y G > S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.686 83.4 72.5 -62.4 -17.2 48.8 5.1 74.4 35 412 A D G < S+ 0 0 20 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.828 109.8 31.4 -59.6 -31.3 46.5 7.9 73.3 36 413 A H G < S+ 0 0 136 -3,-2.6 2,-0.5 -4,-0.3 -1,-0.2 0.108 95.9 111.0-117.9 21.7 46.6 6.3 69.8 37 414 A L < + 0 0 22 -3,-0.8 -3,-0.0 -4,-0.1 -4,-0.0 -0.857 27.1 160.0 -96.5 125.7 47.1 2.6 70.8 38 415 A F + 0 0 109 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 -0.302 27.3 128.6-138.6 53.0 44.2 0.3 70.2 39 416 A K - 0 0 109 1,-0.0 2,-0.2 0, 0.0 106,-0.1 -0.741 67.0 -89.3-105.3 155.6 45.6 -3.2 70.3 40 417 A P S S+ 0 0 52 0, 0.0 89,-2.5 0, 0.0 2,-0.3 -0.476 82.0 79.1 -70.7 136.1 44.3 -6.2 72.3 41 418 A G E S-A 128 0A 0 87,-0.3 14,-2.8 -2,-0.2 2,-0.3 -0.970 72.2 -79.2 160.0-169.4 45.9 -6.4 75.8 42 419 A I E -AB 127 54A 0 85,-1.8 85,-3.4 -2,-0.3 2,-0.5 -0.918 24.0-133.8-128.4 153.4 45.7 -5.0 79.3 43 420 A Y E -AB 126 53A 0 10,-3.3 9,-2.6 -2,-0.3 10,-2.3 -0.961 29.1-170.0-110.1 127.2 47.0 -1.8 80.9 44 421 A V E -AB 125 51A 1 81,-2.7 81,-2.3 -2,-0.5 2,-0.2 -0.756 32.6 -89.0-118.5 156.7 48.7 -2.3 84.2 45 422 A D E > -A 124 0A 1 5,-2.8 4,-1.9 -2,-0.3 79,-0.2 -0.446 31.3-139.3 -61.8 129.0 49.9 0.0 87.0 46 423 A V T 4 S+ 0 0 28 77,-1.2 -1,-0.1 -2,-0.2 78,-0.1 0.710 99.1 43.7 -65.0 -18.4 53.6 1.0 86.3 47 424 A V T 4 S+ 0 0 30 76,-0.2 -1,-0.1 3,-0.1 77,-0.0 0.908 130.5 16.3 -92.5 -57.5 54.4 0.6 90.0 48 425 A S T 4 S- 0 0 35 2,-0.1 -2,-0.2 -44,-0.0 -1,-0.0 0.616 89.4-129.6 -90.9 -16.9 52.7 -2.6 91.1 49 426 A G < + 0 0 21 -4,-1.9 -3,-0.1 1,-0.3 3,-0.0 0.632 54.4 154.5 67.2 15.7 51.9 -4.2 87.7 50 427 A E - 0 0 35 1,-0.1 -5,-2.8 -6,-0.1 -1,-0.3 -0.549 52.0-102.4 -76.1 140.2 48.4 -4.7 88.9 51 428 A P E +B 44 0A 30 0, 0.0 -7,-0.2 0, 0.0 22,-0.2 -0.386 49.6 159.7 -64.2 128.1 45.7 -4.9 86.1 52 429 A L E + 0 0 0 -9,-2.6 20,-2.1 1,-0.4 2,-0.3 0.742 55.2 17.7-115.8 -43.3 43.9 -1.7 85.7 53 430 A F E -B 43 0A 0 -10,-2.3 -10,-3.3 18,-0.2 2,-0.4 -0.995 58.0-138.3-139.4 144.6 42.2 -1.5 82.2 54 431 A S E > -B 42 0A 0 16,-0.4 3,-1.9 -2,-0.3 4,-0.5 -0.833 23.1-128.5 -97.6 143.3 41.3 -3.8 79.4 55 432 A S G > S+ 0 0 13 -14,-2.8 3,-1.0 -2,-0.4 -13,-0.1 0.794 108.7 70.4 -49.4 -26.5 41.8 -3.0 75.7 56 433 A A G 3 S+ 0 0 23 87,-0.4 -1,-0.3 -15,-0.3 88,-0.1 0.740 102.3 40.0 -66.2 -29.9 38.1 -3.9 75.5 57 434 A D G < S+ 0 0 30 -3,-1.9 12,-2.0 13,-0.1 -1,-0.3 0.392 91.2 108.3-100.9 1.5 37.0 -0.8 77.3 58 435 A K E < +C 68 0B 18 -3,-1.0 2,-0.3 -4,-0.5 10,-0.3 -0.548 41.0 161.8 -84.1 143.2 39.5 1.6 75.7 59 436 A Y E -C 67 0B 13 8,-2.2 8,-0.7 -2,-0.2 2,-0.7 -0.962 43.5-101.3-154.2 162.8 38.0 4.2 73.2 60 437 A D + 0 0 76 -2,-0.3 -24,-0.0 1,-0.1 -25,-0.0 -0.850 31.9 173.0 -93.6 117.7 38.9 7.5 71.6 61 438 A S - 0 0 22 -2,-0.7 -1,-0.1 4,-0.4 7,-0.0 0.430 48.3-122.1 -95.1 -5.7 37.2 10.3 73.4 62 439 A G S S+ 0 0 38 3,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.530 82.4 116.5 72.7 7.9 39.2 12.8 71.3 63 440 A S S S- 0 0 21 2,-0.3 -1,-0.1 228,-0.1 -3,-0.0 0.707 85.8-113.8 -76.6 -21.2 40.6 14.4 74.5 64 441 A G S S+ 0 0 0 1,-0.3 -34,-2.6 -35,-0.2 -32,-0.4 0.448 86.8 90.3 94.6 -4.0 44.2 13.5 73.9 65 442 A W S S- 0 0 30 -36,-0.2 -4,-0.4 -35,-0.1 -1,-0.3 -0.962 91.6 -86.5-121.1 148.9 44.5 11.0 76.8 66 443 A P - 0 0 1 0, 0.0 53,-2.8 0, 0.0 2,-0.4 -0.209 51.2-162.0 -41.9 131.7 43.8 7.3 77.0 67 444 A S E +CD 59 118B 0 -8,-0.7 -8,-2.2 51,-0.2 2,-0.3 -0.977 13.7 178.9-130.9 140.5 40.1 6.9 77.7 68 445 A F E -CD 58 117B 0 49,-1.5 49,-3.2 -2,-0.4 -10,-0.2 -0.971 30.0-139.9-142.2 148.0 38.3 3.9 79.1 69 446 A T S S- 0 0 10 -12,-2.0 46,-0.3 -2,-0.3 -11,-0.1 0.690 86.5 -6.5 -81.8 -20.9 34.6 3.3 79.9 70 447 A R S S- 0 0 99 -13,-0.2 -16,-0.4 -16,-0.1 -1,-0.3 -0.972 74.4-100.2-162.8 156.1 35.4 1.3 83.0 71 448 A P - 0 0 5 0, 0.0 -18,-0.2 0, 0.0 3,-0.2 -0.436 50.1-100.8 -72.9 163.5 38.3 -0.1 85.0 72 449 A I S S- 0 0 10 -20,-2.1 2,-0.3 1,-0.2 -19,-0.1 0.923 108.6 -1.9 -49.7 -47.7 38.8 -3.9 84.5 73 450 A D S > S- 0 0 76 -21,-0.3 3,-2.2 -22,-0.2 4,-0.4 -0.993 71.7-118.9-138.3 151.1 37.0 -4.2 87.9 74 451 A A G > S+ 0 0 76 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.803 114.5 64.6 -48.1 -26.9 35.7 -1.5 90.2 75 452 A K G 3 S+ 0 0 169 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.0 0.656 87.5 69.7 -72.0 -20.5 38.2 -3.1 92.7 76 453 A S G < S+ 0 0 14 -3,-2.2 19,-2.4 -24,-0.1 2,-0.3 0.660 101.7 38.3 -76.0 -18.5 41.2 -2.1 90.7 77 454 A V E < -E 94 0B 10 -3,-1.0 2,-0.4 -4,-0.4 17,-0.3 -0.841 65.3-139.8-133.1 163.1 41.0 1.6 91.3 78 455 A T E -E 93 0B 39 15,-2.8 15,-2.4 -2,-0.3 2,-0.3 -0.997 19.9-163.9-125.7 130.1 40.1 4.1 94.0 79 456 A E E +E 92 0B 84 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.851 12.4 167.9-113.7 145.5 38.1 7.2 93.3 80 457 A H E -E 91 0B 16 11,-1.7 11,-2.8 -2,-0.3 2,-0.1 -0.985 36.1-100.3-149.7 154.9 37.7 10.3 95.4 81 458 A D E -E 90 0B 70 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.468 31.1-168.7 -74.2 150.1 36.4 13.8 95.0 82 459 A D E -E 89 0B 2 7,-2.5 7,-3.1 -2,-0.1 74,-0.0 -0.991 14.9-179.2-143.8 123.4 38.7 16.7 94.4 83 460 A F > + 0 0 136 -2,-0.4 3,-0.5 5,-0.2 4,-0.2 0.101 45.3 120.5-114.0 20.4 37.6 20.3 94.6 84 461 A S G > + 0 0 6 1,-0.2 3,-1.0 2,-0.2 -2,-0.1 -0.247 62.7 34.5 -78.8 171.5 41.0 21.9 93.7 85 462 A Y G 3 S- 0 0 190 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 0.717 132.9 -73.4 55.0 22.0 41.7 24.2 90.7 86 463 A N G < S+ 0 0 164 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.911 106.1 108.8 56.4 54.0 38.1 25.4 91.4 87 464 A M S < S- 0 0 72 -3,-1.0 2,-0.7 -4,-0.2 -1,-0.2 -0.976 71.1-122.0-147.8 152.8 36.3 22.3 90.0 88 465 A R + 0 0 151 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.918 51.7 158.5 -94.6 107.5 34.3 19.3 91.2 89 466 A R E -E 82 0B 27 -7,-3.1 -7,-2.5 -2,-0.7 2,-0.5 -0.862 40.2-134.7-127.3 160.7 36.3 16.4 89.9 90 467 A T E -EF 81 104B 24 14,-0.6 14,-2.4 -2,-0.3 -9,-0.2 -0.974 23.5-151.9-116.2 114.6 36.7 12.7 90.7 91 468 A E E -EF 80 103B 6 -11,-2.8 -11,-1.7 -2,-0.5 2,-0.4 -0.596 5.0-149.6 -84.4 147.1 40.3 11.5 90.8 92 469 A V E +EF 79 102B 0 10,-2.8 9,-2.4 -2,-0.2 10,-1.7 -0.970 19.0 171.8-118.9 133.4 41.1 7.9 89.9 93 470 A R E -EF 78 100B 10 -15,-2.4 -15,-2.8 -2,-0.4 7,-0.2 -0.898 38.8 -95.3-133.0 161.6 44.1 6.0 91.4 94 471 A S E -E 77 0B 0 5,-1.8 4,-0.4 -2,-0.3 -17,-0.3 -0.409 32.6-130.2 -74.7 155.2 45.2 2.4 91.3 95 472 A H S S+ 0 0 60 -19,-2.4 -93,-0.2 2,-0.1 -18,-0.1 0.997 94.7 29.7 -69.9 -65.0 44.1 0.3 94.2 96 473 A A S S+ 0 0 8 -20,-0.2 -94,-1.8 1,-0.2 -1,-0.1 0.934 132.5 29.6 -64.8 -53.7 47.3 -1.5 95.5 97 474 A A S S- 0 0 0 -96,-0.2 -1,-0.2 -94,-0.1 -2,-0.1 0.572 93.2-138.1 -88.4 -9.9 50.0 1.1 94.6 98 475 A D + 0 0 12 -4,-0.4 2,-0.2 1,-0.2 -3,-0.1 0.809 39.4 169.9 54.7 32.4 47.8 4.1 94.9 99 476 A S - 0 0 0 1,-0.1 -5,-1.8 24,-0.1 2,-0.3 -0.488 42.6-110.1 -66.1 140.7 49.3 5.7 91.7 100 477 A H E +F 93 0B 2 -79,-2.5 -7,-0.2 -7,-0.2 -76,-0.1 -0.624 43.7 170.0 -66.9 132.0 47.6 8.8 90.3 101 478 A L E - 0 0 0 -9,-2.4 19,-2.7 1,-0.4 2,-0.3 0.740 46.6 -93.2-113.7 -48.0 46.0 7.6 87.0 102 479 A G E -FG 92 119B 0 -10,-1.7 -10,-2.8 17,-0.2 -1,-0.4 -0.883 49.3 -59.2 166.6-137.6 43.7 10.4 86.0 103 480 A H E -FG 91 118B 5 15,-2.2 15,-3.2 -12,-0.3 2,-0.4 -0.925 31.8-131.5-139.8 158.4 40.1 11.4 86.5 104 481 A V E -FG 90 117B 12 -14,-2.4 -14,-0.6 -2,-0.3 13,-0.3 -0.960 22.9-168.5-117.9 133.6 36.7 10.0 85.7 105 482 A F E - G 0 116B 25 11,-2.9 11,-2.7 -2,-0.4 3,-0.4 -0.899 30.4-126.9-120.8 150.0 33.9 12.1 84.0 106 483 A P S S+ 0 0 119 0, 0.0 9,-0.2 0, 0.0 7,-0.0 -0.095 92.3 86.0 -87.6 41.1 30.2 11.5 83.5 107 484 A D + 0 0 80 -2,-0.4 8,-0.2 9,-0.1 7,-0.1 -0.087 58.4 123.4-127.7 28.0 30.5 12.2 79.7 108 485 A G S S- 0 0 6 6,-2.3 2,-0.2 -3,-0.4 8,-0.2 -0.396 79.9 -65.4 -83.3 171.5 31.5 8.8 78.5 109 486 A P > > - 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0 0 80 -2,-0.2 4,-2.9 106,-0.1 5,-0.2 -0.402 40.3-101.5 -70.8 166.0 44.0 21.3 103.6 161 392 B E H > S+ 0 0 75 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.912 124.6 47.2 -55.4 -47.6 44.5 21.8 99.8 162 393 B E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.920 112.9 47.4 -59.4 -50.2 47.9 23.3 100.5 163 394 B Q H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.899 115.9 46.4 -57.2 -44.2 49.0 20.6 102.9 164 395 B Y H X>S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-1.0 0.947 113.6 46.1 -65.6 -48.8 47.8 17.9 100.4 165 396 B Q H X5S+ 0 0 35 -4,-3.1 6,-2.1 -5,-0.2 4,-0.7 0.911 117.9 43.7 -67.7 -39.9 49.4 19.4 97.3 166 397 B V H X5S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.975 122.2 33.9 -65.6 -55.9 52.7 20.1 99.0 167 398 B T H <5S+ 0 0 0 -4,-2.5 77,-2.4 -5,-0.3 -2,-0.2 0.870 131.0 29.7 -72.7 -36.2 53.1 16.8 100.9 168 399 B Q H <5S+ 0 0 12 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.833 133.1 29.7 -97.5 -34.4 51.5 14.4 98.4 169 400 B N H < - 0 0 196 1,-0.1 3,-1.9 2,-0.1 4,-0.4 -0.416 53.4 -99.3 -65.2 138.9 55.2 30.5 97.1 175 406 B A T 3 S+ 0 0 38 1,-0.3 36,-0.2 2,-0.1 35,-0.2 -0.267 108.7 13.3 -53.3 140.9 58.2 31.9 98.8 176 407 B F T 3 S+ 0 0 127 34,-2.6 -1,-0.3 1,-0.1 35,-0.1 0.404 99.6 107.3 66.9 5.2 57.2 34.2 101.8 177 408 B S < + 0 0 61 -3,-1.9 2,-0.4 33,-0.3 -2,-0.1 0.761 58.2 74.6 -84.8 -23.3 53.6 32.8 101.7 178 409 B H S > S- 0 0 47 32,-0.4 3,-2.1 -4,-0.4 4,-0.4 -0.743 75.2-133.4-100.3 137.8 53.4 30.6 104.8 179 410 B E G > S+ 0 0 136 -2,-0.4 3,-0.9 1,-0.3 4,-0.1 0.711 104.4 67.4 -58.4 -20.8 53.3 32.0 108.4 180 411 B Y G > S+ 0 0 44 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.712 83.5 74.2 -72.6 -20.1 56.1 29.5 109.4 181 412 B D G < S+ 0 0 17 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.7 30.0 -54.9 -33.4 58.4 31.5 107.2 182 413 B H G < S+ 0 0 107 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.2 0.302 94.8 111.4-115.5 17.0 58.3 34.1 110.0 183 414 B L < + 0 0 38 -3,-0.7 -3,-0.0 -4,-0.1 -4,-0.0 -0.769 26.6 161.4 -92.1 126.2 57.8 32.0 113.0 184 415 B F + 0 0 106 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 -0.433 28.7 129.5-139.6 57.2 60.6 31.7 115.5 185 416 B K - 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