==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-JAN-10 3L9W . COMPND 2 MOLECULE: GLUTATHIONE-REGULATED POTASSIUM-EFFLUX SYSTEM PRO . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.P.ROOSILD . 695 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 62 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 2 1 0 5 6 0 2 0 3 2 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 2 7 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 1 399 A G 0 0 28 0, 0.0 26,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 86.8 -2.6 9.5 -9.5 2 400 A M - 0 0 148 24,-0.3 65,-0.2 60,-0.1 25,-0.1 -0.741 360.0 -15.6 -82.5 -43.3 -1.4 7.4 -11.0 3 401 A R S S+ 0 0 99 23,-0.8 64,-2.2 63,-0.2 65,-2.0 0.857 122.6 42.7 -98.3 -31.6 -3.1 8.1 -14.3 4 402 A V E -ab 27 68A 0 22,-1.7 24,-1.8 63,-0.2 2,-0.4 -0.917 49.4-167.1-126.7 136.7 -6.1 10.4 -13.6 5 403 A I E -ab 28 69A 0 63,-2.1 65,-3.0 -2,-0.4 2,-0.5 -0.985 13.1-158.5-111.2 131.7 -6.7 13.5 -11.5 6 404 A I E -ab 29 70A 0 22,-2.7 24,-2.5 -2,-0.4 2,-0.7 -0.968 1.2-159.6-112.0 121.2 -10.4 14.6 -11.1 7 405 A A E +ab 30 71A 0 63,-2.8 65,-2.5 -2,-0.5 66,-0.2 -0.897 69.5 18.8 -98.6 111.1 -10.9 18.2 -10.1 8 406 A G - 0 0 10 22,-2.9 23,-0.2 -2,-0.7 64,-0.1 0.393 59.7-158.6 97.6 121.4 -14.4 18.6 -8.5 9 407 A F + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.205 47.8 118.4-133.7 48.3 -16.4 15.7 -7.2 10 408 A G S > S- 0 0 18 62,-0.3 4,-2.7 4,-0.0 5,-0.2 0.173 91.9 -53.4 -86.3-155.8 -20.0 16.9 -7.2 11 409 A R H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.911 140.5 44.8 -57.2 -36.4 -22.7 15.2 -9.2 12 410 A F H > S+ 0 0 0 1,-0.2 4,-2.2 60,-0.2 3,-0.4 0.985 115.5 42.9 -75.7 -59.0 -20.7 15.6 -12.4 13 411 A G H > S+ 0 0 0 59,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.829 109.5 60.5 -52.7 -40.5 -17.3 14.4 -11.2 14 412 A Q H X S+ 0 0 45 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.904 107.6 42.5 -55.9 -47.1 -18.8 11.6 -9.2 15 413 A I H X S+ 0 0 12 -4,-1.4 4,-2.4 -3,-0.4 5,-0.2 0.946 115.2 48.7 -70.4 -41.6 -20.3 9.9 -12.2 16 414 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.962 116.0 47.6 -57.5 -47.0 -17.2 10.4 -14.4 17 415 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.911 109.8 48.4 -58.0 -51.3 -15.2 9.0 -11.4 18 416 A R H X S+ 0 0 35 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.848 109.1 54.4 -65.9 -34.2 -17.3 6.0 -10.7 19 417 A L H X S+ 0 0 1 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.940 112.4 43.9 -60.1 -46.4 -17.3 5.0 -14.4 20 418 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.2 3,-1.2 0.906 110.5 55.1 -65.3 -38.4 -13.5 5.2 -14.4 21 419 A L H ><5S+ 0 0 69 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.908 100.8 59.5 -62.4 -39.1 -13.3 3.3 -11.0 22 420 A S H 3<5S+ 0 0 38 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 104.8 50.9 -56.8 -27.9 -15.4 0.5 -12.6 23 421 A S T <<5S- 0 0 33 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.205 121.4-107.3 -95.3 7.0 -12.6 0.0 -15.2 24 422 A G T < 5 + 0 0 59 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.619 62.4 160.0 74.8 17.6 -9.8 -0.1 -12.6 25 423 A V < - 0 0 15 -5,-2.0 2,-0.4 1,-0.1 -1,-0.2 -0.513 37.0-133.3 -76.0 135.7 -8.4 3.3 -13.3 26 424 A K + 0 0 134 -2,-0.2 -22,-1.7 -21,-0.0 -23,-0.8 -0.721 37.0 168.4 -89.9 132.7 -6.3 4.7 -10.4 27 425 A M E -a 4 0A 31 -2,-0.4 2,-0.4 -26,-0.2 -22,-0.2 -0.940 35.5-140.6-141.6 163.3 -7.2 8.3 -9.6 28 426 A V E -a 5 0A 26 -24,-1.8 -22,-2.7 -2,-0.3 2,-0.4 -0.994 25.5-158.0-123.1 136.3 -6.7 11.2 -7.2 29 427 A V E -a 6 0A 3 -2,-0.4 19,-2.9 17,-0.2 2,-0.4 -0.956 7.6-168.3-125.2 129.3 -9.8 13.3 -6.5 30 428 A L E +ac 7 48A 9 -24,-2.5 -22,-2.9 -2,-0.4 2,-0.3 -0.963 11.5 166.3-115.0 131.9 -10.0 16.9 -5.1 31 429 A D E - c 0 49A 12 17,-2.6 19,-2.1 -2,-0.4 20,-0.0 -0.989 26.0-153.5-143.3 145.4 -13.1 18.7 -3.9 32 430 A H + 0 0 118 -2,-0.3 19,-0.1 17,-0.2 17,-0.1 0.237 68.5 95.5-103.5 12.8 -13.3 22.0 -1.9 33 431 A D > - 0 0 49 1,-0.1 4,-1.8 17,-0.1 3,-0.1 -0.901 56.9-161.0-107.5 117.7 -16.6 21.3 -0.2 34 432 A P H > S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.852 91.6 51.5 -68.7 -29.5 -16.4 19.8 3.2 35 433 A D H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.869 107.4 52.6 -74.9 -32.3 -20.0 18.5 3.3 36 434 A H H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 106.7 54.1 -66.6 -40.3 -19.5 16.8 -0.1 37 435 A I H X S+ 0 0 29 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.832 107.5 52.1 -54.5 -40.9 -16.4 15.0 1.3 38 436 A E H X S+ 0 0 115 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.957 109.7 45.6 -62.0 -58.9 -18.4 13.7 4.3 39 437 A T H X S+ 0 0 69 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.825 111.4 53.7 -58.7 -36.4 -21.2 12.2 2.2 40 438 A L H ><>S+ 0 0 16 -4,-1.9 5,-3.0 1,-0.2 3,-0.5 0.871 107.0 51.1 -70.1 -37.3 -18.7 10.6 -0.1 41 439 A R H ><5S+ 0 0 141 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.867 101.5 61.6 -64.8 -36.7 -16.9 9.0 2.8 42 440 A K H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.9 43.9 -54.9 -29.4 -20.3 7.6 4.0 43 441 A F T <<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.190 125.1-106.2-102.3 14.4 -20.3 5.8 0.6 44 442 A G T < 5 + 0 0 61 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.785 68.1 149.5 67.5 31.1 -16.7 4.7 1.0 45 443 A M < - 0 0 20 -5,-3.0 2,-0.7 -8,-0.1 -1,-0.2 -0.852 44.3-134.6 -96.2 130.5 -15.2 7.1 -1.6 46 444 A K + 0 0 136 -2,-0.5 2,-0.4 -5,-0.0 -17,-0.2 -0.753 37.9 162.0 -80.7 113.2 -11.6 8.5 -1.1 47 445 A V - 0 0 14 -2,-0.7 2,-0.4 -10,-0.1 -17,-0.2 -0.998 29.8-137.7-140.2 131.7 -11.6 12.2 -1.8 48 446 A F E -c 30 0A 104 -19,-2.9 -17,-2.6 -2,-0.4 2,-0.5 -0.690 20.1-125.2 -90.5 135.8 -9.1 14.9 -0.8 49 447 A Y E +c 31 0A 152 -2,-0.4 2,-0.2 -19,-0.2 -17,-0.2 -0.694 57.2 83.0 -82.2 123.5 -10.1 18.3 0.5 50 448 A G S S- 0 0 5 -19,-2.1 2,-0.7 -2,-0.5 -17,-0.1 -0.854 77.3 -72.8 166.2 171.3 -8.9 21.5 -1.3 51 449 A D > - 0 0 60 -2,-0.2 3,-2.1 1,-0.1 6,-0.2 -0.709 35.0-153.9 -79.0 110.4 -9.0 24.1 -4.0 52 450 A A T 3 S+ 0 0 7 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.642 88.8 72.4 -67.1 -10.8 -7.9 22.3 -7.2 53 451 A T T 3 S+ 0 0 15 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.588 74.6 101.4 -78.8 -7.3 -6.8 25.7 -8.6 54 452 A R X> - 0 0 115 -3,-2.1 4,-2.0 1,-0.2 3,-0.6 -0.682 67.3-149.9 -79.5 119.2 -3.9 25.6 -6.1 55 453 A M H 3> S+ 0 0 48 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.850 94.8 57.5 -55.6 -38.6 -0.7 24.6 -7.9 56 454 A D H 3> S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 107.3 46.5 -63.4 -37.5 0.7 23.0 -4.8 57 455 A L H <> S+ 0 0 36 -3,-0.6 4,-1.4 -6,-0.2 -2,-0.2 0.888 112.6 50.6 -71.3 -37.9 -2.3 20.7 -4.4 58 456 A L H <>S+ 0 0 1 -4,-2.0 5,-2.2 2,-0.2 4,-0.3 0.917 110.6 49.9 -65.0 -41.1 -2.1 19.7 -8.1 59 457 A E H ><5S+ 0 0 122 -4,-2.6 3,-1.8 1,-0.2 5,-0.3 0.950 111.9 46.6 -64.7 -46.5 1.6 19.0 -7.8 60 458 A S H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.6 59.8 -70.1 -18.5 1.1 16.8 -4.8 61 459 A A T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.499 126.2-103.3 -78.8 -1.2 -1.8 15.1 -6.6 62 460 A G T X>5 + 0 0 28 -3,-1.8 4,-2.0 -4,-0.3 3,-1.7 0.724 66.2 154.7 89.6 28.4 0.8 14.1 -9.3 63 461 A A T 34< + 0 0 2 -5,-2.2 -4,-0.2 1,-0.3 -3,-0.1 0.782 68.9 62.5 -57.4 -33.2 -0.0 16.5 -12.1 64 462 A A T 34 S+ 0 0 80 -5,-0.3 -1,-0.3 1,-0.2 28,-0.1 0.753 118.4 26.6 -68.1 -22.2 3.5 16.3 -13.5 65 463 A K T <4 S+ 0 0 194 -3,-1.7 -2,-0.2 -63,-0.0 -1,-0.2 0.581 94.8 111.4-109.7 -21.6 3.1 12.7 -14.2 66 464 A A < - 0 0 6 -4,-2.0 -63,-0.2 1,-0.1 -62,-0.2 -0.212 51.8-152.8 -60.3 155.4 -0.7 12.2 -14.7 67 465 A E S S+ 0 0 66 -64,-2.2 27,-2.3 1,-0.3 2,-0.4 0.818 75.7 24.9 -95.7 -38.0 -2.2 11.4 -18.1 68 466 A V E -bd 4 94A 0 -65,-2.0 -63,-2.1 25,-0.2 2,-0.5 -0.992 55.7-163.6-137.0 135.7 -5.6 12.9 -17.8 69 467 A L E -bd 5 95A 1 25,-3.0 27,-2.6 -2,-0.4 2,-0.8 -0.992 12.8-153.2-113.8 121.4 -7.2 15.7 -15.8 70 468 A I E -bd 6 96A 0 -65,-3.0 -63,-2.8 -2,-0.5 2,-1.2 -0.862 7.0-154.8 -92.0 114.1 -11.0 15.7 -15.6 71 469 A N E +bd 7 97A 0 25,-3.3 27,-2.5 -2,-0.8 -63,-0.1 -0.760 29.3 158.7 -92.1 90.9 -12.0 19.3 -15.0 72 470 A A + 0 0 2 -65,-2.5 -59,-0.4 -2,-1.2 -62,-0.3 0.175 22.2 136.2-102.9 20.2 -15.4 18.8 -13.3 73 471 A I - 0 0 20 -66,-0.2 25,-0.1 1,-0.1 -65,-0.1 -0.444 45.0-152.3 -70.4 128.8 -15.5 22.2 -11.6 74 472 A D S S+ 0 0 96 -2,-0.2 -1,-0.1 5,-0.1 26,-0.1 0.902 70.2 82.7 -70.8 -43.2 -19.0 23.9 -11.9 75 473 A D S > S- 0 0 72 1,-0.1 4,-2.9 24,-0.1 5,-0.2 -0.506 71.2-145.0 -70.6 119.7 -18.0 27.5 -11.8 76 474 A P H > S+ 0 0 36 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.863 95.9 49.8 -53.0 -45.2 -16.9 28.8 -15.2 77 475 A Q H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.926 116.9 40.5 -63.4 -45.3 -14.2 31.3 -13.9 78 476 A T H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 114.1 53.7 -67.5 -41.0 -12.6 28.7 -11.7 79 477 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.940 112.0 44.6 -59.4 -46.9 -12.9 26.0 -14.3 80 478 A L H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.853 109.6 56.2 -65.0 -38.1 -11.2 28.2 -16.8 81 479 A Q H X S+ 0 0 96 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.933 109.0 46.5 -56.9 -50.8 -8.5 29.2 -14.3 82 480 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.933 111.3 51.7 -56.6 -50.2 -7.7 25.5 -13.7 83 481 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.936 110.8 47.3 -56.1 -44.3 -7.6 24.8 -17.4 84 482 A E H X S+ 0 0 113 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 112.6 49.9 -68.8 -37.2 -5.2 27.7 -18.2 85 483 A M H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.907 112.5 46.2 -60.8 -45.4 -2.8 26.7 -15.3 86 484 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 7,-0.2 0.925 110.5 52.5 -69.0 -44.0 -2.7 23.1 -16.4 87 485 A K H < S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.889 114.6 44.4 -55.2 -44.1 -2.1 24.1 -20.0 88 486 A E H < S+ 0 0 148 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.901 127.3 23.6 -67.4 -44.0 0.8 26.3 -18.9 89 487 A H H < S+ 0 0 95 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.714 123.4 43.3-102.1 -25.6 2.5 24.0 -16.4 90 488 A F >< + 0 0 19 -4,-2.9 3,-2.1 -5,-0.3 -1,-0.2 -0.655 61.4 173.8-127.0 75.4 1.7 20.4 -17.3 91 489 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.641 78.0 48.5 -65.4 -17.2 1.9 20.2 -21.1 92 490 A H T 3 S+ 0 0 163 -28,-0.1 2,-0.8 2,-0.1 -5,-0.1 0.369 83.9 105.4 -98.8 0.0 1.3 16.4 -21.3 93 491 A L < - 0 0 13 -3,-2.1 2,-0.3 -7,-0.2 -25,-0.2 -0.760 67.1-142.9 -90.1 109.4 -1.7 16.5 -19.0 94 492 A Q E -d 68 0A 86 -27,-2.3 -25,-3.0 -2,-0.8 2,-0.5 -0.561 13.5-146.3 -73.7 131.0 -4.8 16.0 -21.3 95 493 A I E -d 69 0A 18 -2,-0.3 2,-0.5 -27,-0.2 19,-0.4 -0.882 17.1-175.1-105.6 129.0 -7.7 18.1 -20.1 96 494 A I E -d 70 0A 16 -27,-2.6 -25,-3.3 -2,-0.5 2,-0.4 -0.985 25.0-165.6-117.5 123.0 -11.3 16.8 -20.5 97 495 A A E -d 71 0A 0 -2,-0.5 20,-2.7 -27,-0.2 2,-0.3 -0.916 24.5-136.7-127.7 138.0 -13.6 19.6 -19.3 98 496 A R E -e 117 0B 9 -27,-2.5 2,-0.4 -2,-0.4 20,-0.2 -0.660 22.8-155.8 -72.5 144.0 -17.1 20.3 -18.3 99 497 A A E -e 118 0B 0 18,-2.3 20,-2.6 -2,-0.3 3,-0.1 -0.988 12.9-150.2-124.7 136.5 -18.7 23.5 -19.6 100 498 A R S S- 0 0 93 -2,-0.4 20,-0.3 18,-0.2 2,-0.2 0.889 74.8 -25.0 -70.1 -37.9 -21.6 25.2 -17.9 101 499 A D S > S- 0 0 43 17,-0.1 4,-2.7 18,-0.1 5,-0.2 -0.847 82.2 -70.0-164.4-178.1 -23.0 26.6 -21.2 102 500 A V H > S+ 0 0 42 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 126.0 54.1 -64.8 -38.2 -22.2 27.7 -24.7 103 501 A D H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 112.4 44.7 -59.8 -45.3 -20.1 30.8 -23.6 104 502 A H H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.7 54.7 -65.0 -43.6 -18.0 28.6 -21.3 105 503 A Y H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.905 108.3 49.2 -52.2 -46.8 -17.7 25.9 -24.1 106 504 A I H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.952 110.6 50.1 -64.1 -45.7 -16.3 28.6 -26.4 107 505 A R H X S+ 0 0 134 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.883 111.5 48.3 -57.6 -43.0 -13.8 29.8 -23.9 108 506 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.883 108.9 52.8 -65.0 -41.2 -12.6 26.3 -23.2 109 507 A R H ><5S+ 0 0 61 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.927 109.6 50.4 -57.6 -42.1 -12.2 25.6 -27.0 110 508 A Q H 3<5S+ 0 0 127 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.778 105.3 55.6 -70.9 -26.5 -10.1 28.8 -27.2 111 509 A A T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.408 128.4-100.2 -78.7 -5.4 -8.0 27.5 -24.2 112 510 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.634 72.2 146.1 93.7 20.6 -7.3 24.4 -26.3 113 511 A V < - 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0 0 20 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.2 -0.570 36.7-127.0 -74.1 134.7 -44.2 19.9 -32.1 366 424 B K + 0 0 118 -2,-0.3 -22,-1.9 -21,-0.0 -23,-1.5 -0.715 42.9 169.2 -80.4 123.1 -46.8 22.5 -31.0 367 425 B M E -m 344 0F 15 -2,-0.6 19,-0.5 -26,-0.3 2,-0.3 -0.915 29.8-159.5-135.6 155.2 -45.6 24.0 -27.7 368 426 B V E -mo 345 386F 9 -24,-1.8 -22,-2.3 -2,-0.3 2,-0.4 -0.959 21.4-141.4-126.6 152.1 -46.2 26.8 -25.2 369 427 B V E -mo 346 387F 0 17,-2.6 19,-2.9 -2,-0.3 2,-0.5 -0.909 10.0-160.2-117.6 139.5 -43.7 27.9 -22.7 370 428 B L E +mo 347 388F 1 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.3 -0.983 34.1 149.7-111.7 119.6 -44.0 29.0 -19.0 371 429 B D E - o 0 389F 16 17,-1.2 19,-2.0 -2,-0.5 -2,-0.0 -0.981 35.7-165.6-151.3 155.2 -40.9 31.0 -18.0 372 430 B H + 0 0 119 -2,-0.3 19,-0.1 17,-0.2 17,-0.1 0.031 55.6 108.7-133.2 23.2 -40.3 33.8 -15.6 373 431 B D > - 0 0 54 1,-0.1 3,-2.0 17,-0.1 4,-0.4 -0.916 54.6-154.3-110.3 117.2 -36.8 35.0 -16.7 374 432 B P G > S+ 0 0 79 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.786 93.1 64.6 -55.4 -29.9 -36.6 38.4 -18.5 375 433 B D G 3 S+ 0 0 134 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.607 98.5 53.7 -73.0 -11.8 -33.4 37.3 -20.3 376 434 B H G <> S+ 0 0 27 -3,-2.0 4,-2.3 1,-0.1 -1,-0.2 0.500 81.9 90.9 -96.7 -8.6 -35.3 34.6 -22.2 377 435 B I H <> S+ 0 0 78 -3,-1.0 4,-2.4 -4,-0.4 5,-0.2 0.901 88.4 45.9 -57.0 -43.8 -38.0 36.8 -23.7 378 436 B E H > S+ 0 0 98 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.896 110.6 52.4 -71.5 -38.6 -36.1 37.6 -26.8 379 437 B T H > S+ 0 0 38 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.914 112.7 45.9 -58.2 -44.8 -35.1 34.0 -27.5 380 438 B L H X>S+ 0 0 2 -4,-2.3 5,-2.1 1,-0.2 4,-0.5 0.900 111.0 51.6 -70.6 -37.9 -38.7 33.0 -27.2 381 439 B R H ><5S+ 0 0 154 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.936 106.3 56.4 -63.0 -43.8 -39.9 35.8 -29.4 382 440 B K H 3<5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.4 45.7 -60.0 -34.4 -37.3 34.8 -32.0 383 441 B F H 3<5S- 0 0 94 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.515 112.0-120.1 -82.6 -4.0 -38.7 31.2 -32.2 384 442 B G T <<5 + 0 0 68 -3,-1.6 2,-0.3 -4,-0.5 -3,-0.2 0.704 56.0 165.7 72.8 18.5 -42.2 32.6 -32.4 385 443 B M < - 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