==== 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 HYDROLASE 18-MAY-11 2YJ3 . COMPND 2 MOLECULE: COPPER-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR C.VOELLMECKE,C.SCHLICKER,M.LUEBBEN,E.HOFMANN . 236 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.7 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 1 1 3 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 . 0 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 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 1 385 A L 0 0 153 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -52.9 35.0 -9.3 9.3 2 386 A S > - 0 0 53 2,-0.1 4,-3.0 1,-0.1 3,-0.3 -0.054 360.0-108.9 125.6 131.4 31.3 -9.6 8.4 3 387 A L H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.917 118.1 54.7 -49.9 -46.9 28.6 -7.0 7.9 4 388 A Y H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 113.2 41.3 -59.3 -42.2 26.9 -7.9 11.1 5 389 A E H > S+ 0 0 101 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.888 112.4 54.0 -73.5 -38.7 30.1 -7.4 13.2 6 390 A K H X S+ 0 0 41 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.918 110.1 48.5 -59.2 -43.0 31.1 -4.3 11.3 7 391 A M H <>S+ 0 0 23 -4,-2.8 5,-2.8 -5,-0.3 3,-0.4 0.881 107.2 54.4 -67.7 -38.6 27.7 -2.7 12.1 8 392 A L H ><5S+ 0 0 69 -4,-1.7 3,-2.6 -5,-0.3 -1,-0.2 0.908 101.7 59.2 -57.7 -43.5 27.8 -3.6 15.7 9 393 A H H 3<5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.0 47.7 -54.1 -35.6 31.2 -1.9 16.0 10 394 A K T 3<5S- 0 0 82 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.083 126.8-103.9 -92.1 19.7 29.4 1.3 14.8 11 395 A G T < 5S+ 0 0 13 -3,-2.6 217,-1.4 1,-0.2 2,-0.4 0.803 82.3 123.8 63.1 31.2 26.6 0.7 17.4 12 396 A M < - 0 0 1 -5,-2.8 2,-0.6 214,-0.2 214,-0.2 -0.991 47.0-156.3-121.4 133.2 24.0 -0.7 14.9 13 397 A I E -A 225 0A 54 212,-2.6 212,-2.7 -2,-0.4 2,-0.3 -0.939 19.3-159.7-103.4 114.3 22.3 -4.0 15.2 14 398 A I E -A 224 0A 23 -2,-0.6 210,-0.2 210,-0.2 3,-0.1 -0.664 19.1-160.7-100.1 153.4 21.1 -5.2 11.8 15 399 A K S S+ 0 0 130 208,-1.6 2,-0.3 1,-0.4 -1,-0.1 0.830 77.7 6.6 -97.3 -43.4 18.4 -7.8 11.0 16 400 A N > - 0 0 39 207,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.998 61.8-128.1-143.2 143.7 19.3 -8.6 7.4 17 401 A S T >> S+ 0 0 52 -2,-0.3 3,-1.6 1,-0.3 4,-0.6 0.765 107.1 74.6 -57.2 -23.9 22.1 -7.7 5.0 18 402 A N H 3> S+ 0 0 53 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.854 81.6 65.0 -58.3 -38.2 19.3 -6.7 2.7 19 403 A V H <> S+ 0 0 7 -3,-1.5 4,-1.1 1,-0.2 -1,-0.3 0.793 94.0 71.1 -52.3 -26.8 18.7 -3.6 4.8 20 404 A Y H X4 S+ 0 0 35 -3,-1.6 3,-1.5 -4,-0.4 4,-0.4 0.980 107.6 23.5 -55.2 -77.2 22.1 -2.7 3.5 21 405 A E H >X S+ 0 0 60 -4,-0.6 4,-0.8 1,-0.3 3,-0.6 0.683 113.3 72.8 -68.8 -17.8 21.7 -1.9 -0.2 22 406 A K H >X S+ 0 0 65 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.811 86.2 65.9 -65.1 -28.0 18.0 -1.1 0.6 23 407 A I H X< S+ 0 0 25 -3,-1.5 3,-0.8 -4,-1.1 -1,-0.2 0.871 99.1 51.3 -58.4 -37.7 19.4 2.0 2.3 24 408 A K H <4 S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.732 106.4 53.9 -75.4 -22.8 20.5 3.3 -1.1 25 409 A E H << S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.5 2,-0.2 0.462 90.1 94.8 -91.6 -2.5 17.1 2.7 -2.7 26 410 A I << + 0 0 17 -3,-0.8 169,-0.2 -4,-0.5 3,-0.1 -0.602 44.8 179.2 -90.2 154.9 15.2 4.7 -0.1 27 411 A D + 0 0 56 167,-3.0 121,-1.7 -2,-0.2 2,-0.4 0.416 58.4 66.6-134.1 -8.5 14.3 8.4 -0.7 28 412 A T E -bc 148 195A 3 166,-2.5 168,-3.1 119,-0.2 2,-0.5 -0.964 55.0-164.6-124.2 139.8 12.4 9.5 2.4 29 413 A I E -bc 149 196A 5 119,-2.9 121,-2.4 -2,-0.4 2,-0.5 -0.982 8.0-169.8-123.5 121.8 13.6 9.9 6.0 30 414 A I E -bc 150 197A 0 166,-2.7 168,-2.7 -2,-0.5 2,-0.4 -0.940 1.8-164.1-115.2 129.5 11.2 10.3 8.8 31 415 A F E -bc 151 198A 12 119,-3.4 121,-3.2 -2,-0.5 2,-0.6 -0.907 17.5-137.9-107.0 138.3 12.0 11.2 12.4 32 416 A E E >> -b 152 0A 4 166,-1.8 5,-1.0 -2,-0.4 4,-0.8 -0.831 20.5-140.2 -81.4 124.0 9.9 10.8 15.5 33 417 A K H >>S+ 0 0 8 119,-2.9 4,-0.9 -2,-0.6 5,-0.8 0.961 83.2 67.8 -49.8 -56.3 10.4 14.0 17.4 34 418 A T H 45S- 0 0 54 1,-0.2 166,-0.2 118,-0.2 6,-0.1 -0.510 115.6 -2.0 -81.4 119.7 10.6 12.3 20.8 35 419 A G H 45S+ 0 0 2 4,-0.6 5,-0.2 -2,-0.4 -1,-0.2 0.014 128.9 56.1 100.2 -28.0 13.6 10.1 21.5 36 420 A T H <5S+ 0 0 0 -4,-0.8 195,-0.2 -3,-0.4 -3,-0.2 0.872 118.8 22.9-100.4 -58.2 15.3 10.4 18.2 37 421 A L T < - 0 0 93 73,-0.3 4,-1.8 -2,-0.2 3,-0.3 -0.436 48.7-108.7 -86.4 164.8 4.7 25.3 46.6 51 435 A S H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.780 116.4 58.6 -68.2 -28.1 7.5 23.0 47.6 52 436 A L H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 107.2 48.5 -62.9 -43.5 5.3 20.6 49.6 53 437 A S H > S+ 0 0 6 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.901 109.5 53.3 -60.0 -42.4 3.3 20.1 46.4 54 438 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.929 109.2 47.8 -57.2 -47.6 6.5 19.5 44.6 55 439 A A H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 29,-0.5 0.840 111.5 51.3 -66.0 -34.8 7.5 16.8 47.2 56 440 A Y H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.951 111.4 45.9 -67.1 -50.3 4.1 15.2 46.9 57 441 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.923 115.2 46.6 -58.5 -47.2 4.2 14.9 43.1 58 442 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.874 108.1 57.2 -64.3 -38.5 7.8 13.6 43.1 59 443 A S H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.890 113.2 39.4 -62.2 -40.3 7.0 11.1 45.8 60 444 A V H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.918 113.7 53.9 -74.3 -42.1 4.2 9.6 43.7 61 445 A E H >< S+ 0 0 13 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.744 91.2 77.3 -63.9 -20.7 6.2 9.9 40.4 62 446 A A T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.580 88.5 58.4 -66.9 -6.1 9.0 8.0 42.0 63 447 A L T < S+ 0 0 87 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 0.408 95.3 76.7-104.6 2.1 7.1 4.7 41.6 64 448 A S < - 0 0 14 -3,-1.9 33,-0.0 -4,-0.1 27,-0.0 -0.820 62.0-154.4-111.1 153.5 6.8 5.1 37.8 65 449 A S + 0 0 97 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.360 55.9 124.9-105.2 0.9 9.4 4.4 35.1 66 450 A H > - 0 0 61 1,-0.1 4,-2.0 -5,-0.1 5,-0.2 -0.336 68.9-126.1 -58.3 140.0 7.8 6.8 32.6 67 451 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.828 111.9 53.8 -60.9 -35.9 10.3 9.4 31.4 68 452 A I H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 109.0 50.1 -62.4 -44.3 8.0 12.3 32.4 69 453 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 111.6 48.2 -57.3 -39.9 7.9 10.7 35.8 70 454 A K H X S+ 0 0 103 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.868 107.7 54.4 -71.6 -37.8 11.7 10.6 35.8 71 455 A A H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -27,-0.4 0.923 111.2 46.4 -58.8 -42.2 12.0 14.2 34.7 72 456 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.885 112.3 49.1 -69.8 -40.6 9.8 15.2 37.6 73 457 A V H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.880 111.2 49.8 -65.1 -39.7 11.7 13.2 40.2 74 458 A K H X S+ 0 0 127 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 111.0 49.3 -67.6 -43.4 15.0 14.5 39.0 75 459 A Y H X S+ 0 0 49 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.932 111.7 48.2 -60.5 -46.8 13.8 18.1 39.2 76 460 A A H X>S+ 0 0 1 -4,-2.2 5,-1.6 1,-0.2 4,-0.7 0.917 111.4 50.2 -63.1 -41.8 12.4 17.7 42.7 77 461 A K H ><5S+ 0 0 63 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.869 107.9 52.9 -63.4 -37.9 15.7 16.0 43.8 78 462 A E H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.771 105.1 56.1 -68.8 -25.5 17.7 18.9 42.4 79 463 A Q H 3<5S- 0 0 105 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.652 120.1-114.9 -77.6 -17.7 15.5 21.3 44.4 80 464 A G T <<5 + 0 0 62 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.1 0.386 66.9 139.1 105.1 -1.9 16.5 19.3 47.5 81 465 A V < - 0 0 39 -5,-1.6 -1,-0.3 1,-0.1 2,-0.3 -0.436 46.1-128.6 -76.6 150.9 13.2 17.8 48.5 82 466 A K - 0 0 166 -2,-0.1 2,-0.2 1,-0.1 -23,-0.1 -0.727 22.7-101.3-102.4 151.8 13.1 14.2 49.8 83 467 A I - 0 0 90 -2,-0.3 2,-0.2 -25,-0.1 -27,-0.1 -0.503 38.3-148.3 -70.4 132.6 10.9 11.3 48.6 84 468 A L - 0 0 50 -29,-0.5 2,-0.4 -2,-0.2 -1,-0.1 -0.622 26.2 -90.0-101.5 157.4 8.0 10.6 50.9 85 469 A E - 0 0 95 -2,-0.2 2,-0.4 1,-0.0 17,-0.3 -0.537 44.8-163.8 -69.2 123.1 6.3 7.3 51.7 86 470 A V - 0 0 36 -2,-0.4 2,-0.3 -27,-0.2 15,-0.2 -0.857 6.1-168.2-106.5 142.9 3.4 6.6 49.3 87 471 A K E +I 100 0C 45 13,-2.1 13,-3.2 -2,-0.4 0, 0.0 -0.886 66.3 23.4-122.1 158.8 0.6 4.1 49.7 88 472 A D E S- 0 0 106 -2,-0.3 -1,-0.1 11,-0.2 10,-0.0 0.811 77.5-170.7 60.5 34.3 -2.0 2.8 47.3 89 473 A F E + 0 0 64 -3,-0.2 2,-0.3 10,-0.1 10,-0.2 -0.254 7.6 178.6 -56.4 141.5 0.0 3.7 44.2 90 474 A K E -I 98 0C 137 8,-2.2 8,-2.3 2,-0.0 2,-0.4 -0.987 4.9-170.0-143.8 137.8 -1.8 3.4 40.9 91 475 A E E -I 97 0C 76 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.990 20.3-170.0-131.3 137.9 -0.6 4.1 37.4 92 476 A I E >> -I 96 0C 99 4,-2.6 3,-2.2 -2,-0.4 4,-2.0 -0.915 47.8-110.6-118.4 104.9 -2.0 4.4 34.0 93 477 A S T 34 S- 0 0 59 -2,-0.5 4,-0.1 1,-0.3 -2,-0.0 0.074 88.7 -4.4 -43.2 124.3 1.0 4.6 31.7 94 478 A G T 34 S+ 0 0 47 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.287 128.5 62.9 81.2 -10.1 1.7 7.9 30.0 95 479 A I T <4 S- 0 0 87 -3,-2.2 15,-2.5 1,-0.3 2,-0.3 0.745 106.1 -34.1-115.0 -38.5 -1.5 9.6 31.3 96 480 A G E < -IJ 92 109C 17 -4,-2.0 -4,-2.6 13,-0.2 2,-0.3 -0.962 37.1-141.5 179.6 162.9 -1.3 9.8 35.1 97 481 A V E -IJ 91 108C 8 11,-2.9 11,-2.3 -2,-0.3 2,-0.3 -0.903 16.3-168.7-133.6 159.5 -0.3 8.5 38.5 98 482 A R E +IJ 90 107C 77 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.3 -0.996 13.6 146.3-150.4 153.2 -2.0 8.4 41.9 99 483 A G E - J 0 106C 0 7,-2.3 7,-3.4 -2,-0.3 2,-0.5 -0.983 38.6-103.5-174.8 167.8 -1.2 7.7 45.6 100 484 A K E +IJ 87 105C 71 -13,-3.2 -13,-2.1 -2,-0.3 2,-0.4 -0.909 32.5 169.4-112.1 131.8 -1.8 8.5 49.2 101 485 A I E > - J 0 104C 5 3,-2.8 3,-2.9 -2,-0.5 -15,-0.1 -0.998 69.9 -8.3-139.2 136.0 0.6 10.5 51.4 102 486 A S T 3 S- 0 0 87 -2,-0.4 -1,-0.1 -17,-0.3 3,-0.1 0.874 128.2 -55.2 42.3 52.4 -0.1 11.9 54.9 103 487 A D T 3 S+ 0 0 140 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.506 117.8 115.5 65.1 3.9 -3.8 11.0 54.7 104 488 A K E < -J 101 0C 59 -3,-2.9 -3,-2.8 14,-0.0 2,-0.6 -0.852 65.4-130.2-108.7 142.6 -4.0 13.0 51.4 105 489 A I E -J 100 0C 53 -2,-0.4 14,-3.0 -5,-0.2 2,-0.4 -0.785 26.2-167.4 -93.1 120.4 -4.8 11.7 47.9 106 490 A I E -JK 99 118C 0 -7,-3.4 -7,-2.3 -2,-0.6 2,-0.4 -0.897 7.3-177.4-112.7 133.9 -2.3 12.9 45.4 107 491 A E E -JK 98 117C 50 10,-2.1 10,-3.1 -2,-0.4 2,-0.5 -0.994 10.2-168.2-128.6 135.3 -2.7 12.7 41.6 108 492 A V E +JK 97 116C 1 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.3 -0.981 28.5 156.7-121.3 116.0 -0.2 13.7 38.9 109 493 A K E JK 96 115C 71 6,-2.1 6,-2.7 -2,-0.5 -13,-0.2 -0.987 360.0 360.0-148.5 153.7 -1.8 13.8 35.4 110 494 A K 0 0 92 -15,-2.5 4,-0.2 -2,-0.3 3,-0.1 -0.026 360.0 360.0 -63.4 360.0 -1.6 15.2 31.9 111 ! 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 0.0 112 499 A N 0 0 131 0, 0.0 15,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 175.2 1.2 23.7 30.9 113 500 A D + 0 0 69 13,-2.0 2,-0.4 1,-0.3 14,-0.2 0.648 360.0 36.0-117.6 -21.3 1.6 19.9 30.7 114 501 A I E - L 0 126C 14 12,-1.7 12,-2.2 -4,-0.2 2,-0.4 -0.970 58.3-159.8-148.4 124.1 1.1 18.3 34.1 115 502 A A E -KL 109 125C 20 -6,-2.7 -6,-2.1 -2,-0.4 2,-0.5 -0.813 8.8-148.0-106.5 142.1 -1.3 19.1 37.0 116 503 A V E -KL 108 124C 0 8,-2.9 7,-2.7 -2,-0.4 8,-1.2 -0.945 16.8-166.1-107.2 125.0 -0.9 18.1 40.6 117 504 A Y E -KL 107 122C 55 -10,-3.1 -10,-2.1 -2,-0.5 2,-0.5 -0.882 9.7-165.7-108.4 142.8 -4.1 17.4 42.5 118 505 A I E > S-KL 106 121C 28 3,-2.1 3,-1.4 -2,-0.4 -12,-0.2 -0.961 80.9 -21.0-127.3 113.9 -4.5 17.1 46.2 119 506 A N T 3 S- 0 0 98 -14,-3.0 -13,-0.1 -2,-0.5 -1,-0.1 0.844 131.3 -46.6 53.6 39.4 -7.7 15.7 47.3 120 507 A G T 3 S+ 0 0 55 -15,-0.4 -1,-0.2 1,-0.2 -14,-0.1 0.233 114.4 112.1 99.0 -12.6 -9.4 16.6 44.0 121 508 A E E < - L 0 118C 123 -3,-1.4 -3,-2.1 2,-0.0 2,-0.6 -0.843 67.1-128.8-104.6 123.4 -8.1 20.2 43.8 122 509 A P E + L 0 117C 86 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.568 42.9 155.5 -67.2 113.9 -5.5 21.3 41.2 123 510 A I E + 0 0 54 -7,-2.7 -73,-0.3 -2,-0.6 2,-0.3 0.526 55.6 17.0-122.5 -11.2 -2.8 23.0 43.2 124 511 A A E - L 0 116C 10 -8,-1.2 -8,-2.9 -75,-0.1 2,-0.3 -0.956 58.5-166.9-152.3 169.5 0.4 22.9 41.2 125 512 A S E -HL 48 115C 15 -77,-2.1 -77,-2.6 -2,-0.3 2,-0.4 -0.993 9.1-144.4-159.1 160.4 1.7 22.2 37.7 126 513 A F E -HL 47 114C 0 -12,-2.2 -13,-2.0 -2,-0.3 -12,-1.7 -0.975 6.8-151.5-126.5 141.7 4.8 21.5 35.5 127 514 A N E -H 46 0C 47 -81,-2.5 -82,-2.4 -2,-0.4 -81,-1.6 -0.958 26.7-175.1 -97.4 129.4 5.8 22.5 32.0 128 515 A I E -H 44 0C 23 -2,-0.5 2,-0.3 -84,-0.3 -84,-0.2 -0.979 2.7-175.4-124.7 144.5 8.1 19.7 30.7 129 516 A S E -H 43 0C 44 -86,-2.7 -86,-2.9 -2,-0.4 2,-0.1 -0.956 27.6-108.1-137.3 155.8 9.9 19.7 27.4 130 517 A D - 0 0 26 -2,-0.3 -90,-0.1 -88,-0.2 -96,-0.0 -0.481 31.4-131.5 -73.1 150.5 12.1 17.5 25.2 131 518 A V - 0 0 43 -92,-0.3 -92,-2.7 -90,-0.2 -90,-0.1 -0.934 22.6-125.2-107.0 121.1 15.8 18.3 25.0 132 519 A P B -G 38 0B 75 0, 0.0 -94,-0.3 0, 0.0 -95,-0.1 -0.288 20.0-118.9 -63.6 147.6 17.2 18.3 21.4 133 520 A R - 0 0 48 -96,-2.8 -97,-0.0 2,-0.1 2,-0.0 -0.738 31.4-118.5 -81.8 134.8 20.3 16.2 20.6 134 521 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.283 75.0 85.1 -68.2 162.7 23.3 18.2 19.4 135 522 A N + 0 0 118 97,-0.0 4,-0.1 3,-0.0 -2,-0.1 0.663 38.9 169.7 99.4 99.6 24.7 17.7 15.9 136 523 A L > + 0 0 124 2,-0.1 4,-0.6 1,-0.1 3,-0.0 0.443 60.5 71.1-123.9 -10.0 23.0 19.8 13.3 137 524 A K H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.792 83.3 70.6 -84.3 -30.5 25.1 19.5 10.1 138 525 A D H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.862 95.4 59.4 -54.1 -33.7 24.2 15.9 9.3 139 526 A Y H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 104.8 45.1 -60.5 -53.1 20.8 17.2 8.5 140 527 A L H X S+ 0 0 69 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.903 107.7 60.2 -58.9 -42.1 22.0 19.6 5.7 141 528 A E H X S+ 0 0 64 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.925 111.8 37.8 -52.0 -50.4 24.2 16.9 4.3 142 529 A K H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 105.9 64.1 -72.6 -38.6 21.2 14.6 3.7 143 530 A L H < S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.767 107.0 52.3 -54.0 -24.0 19.0 17.5 2.6 144 531 A K H < 0 0 52 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.868 360.0 360.0 -66.5 -98.4 21.7 17.5 -0.1 145 532 A N < 0 0 91 -4,-1.2 -3,-0.1 0, 0.0 -2,-0.1 0.885 360.0 360.0 -34.6 360.0 21.6 13.9 -1.3 146 ! 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 0.0 147 535 A L 0 0 66 0, 0.0 2,-0.4 0, 0.0 -119,-0.2 0.000 360.0 360.0 360.0 104.3 16.0 13.0 0.0 148 536 A K E -b 28 0A 54 -121,-1.7 -119,-2.9 1,-0.0 2,-0.4 -0.684 360.0-148.3 -95.9 134.4 13.2 14.5 2.0 149 537 A I E -b 29 0A 24 -2,-0.4 22,-0.5 -121,-0.2 2,-0.4 -0.805 14.6-175.7-102.2 139.8 13.1 14.8 5.8 150 538 A I E -bd 30 171A 5 -121,-2.4 -119,-3.4 -2,-0.4 2,-0.5 -0.999 13.7-152.6-136.6 134.7 9.9 14.6 7.8 151 539 A I E -bd 31 172A 0 20,-1.9 22,-2.4 -2,-0.4 2,-0.3 -0.921 14.7-172.4-104.2 127.4 9.3 15.0 11.5 152 540 A L E +bd 32 173A 0 -121,-3.2 -119,-2.9 -2,-0.5 2,-0.3 -0.898 11.1 163.9-115.4 151.5 6.3 13.2 13.1 153 541 A S - 0 0 1 20,-0.7 23,-2.6 -2,-0.3 7,-0.0 -0.961 45.4-143.6-166.4 145.5 5.1 13.7 16.7 154 542 A G S S+ 0 0 44 -2,-0.3 2,-0.1 21,-0.3 20,-0.1 0.250 79.1 105.6 -88.9 10.0 2.2 13.1 19.0 155 543 A D S S- 0 0 55 1,-0.1 20,-2.9 2,-0.1 21,-0.2 -0.453 81.6 -82.2 -91.1 164.6 3.1 16.5 20.5 156 544 A K >> - 0 0 77 18,-0.2 4,-2.3 -2,-0.1 3,-0.6 -0.226 41.2-107.5 -67.0 152.7 1.4 19.8 20.2 157 545 A E H 3> S+ 0 0 71 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.872 114.4 50.8 -41.9 -56.9 1.9 22.1 17.2 158 546 A D H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.834 112.0 46.3 -62.3 -35.9 4.1 24.8 18.9 159 547 A K H <> S+ 0 0 32 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.946 117.0 44.0 -68.1 -48.5 6.5 22.3 20.4 160 548 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 114.3 48.9 -63.8 -45.4 6.9 20.4 17.2 161 549 A K H X S+ 0 0 121 -4,-3.3 4,-2.8 -5,-0.2 -1,-0.2 0.928 108.2 53.9 -61.4 -46.0 7.2 23.5 15.0 162 550 A E H X S+ 0 0 103 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.873 109.5 47.6 -58.7 -39.8 9.8 25.1 17.3 163 551 A L H X S+ 0 0 21 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.867 110.5 52.4 -68.6 -37.1 12.0 22.0 17.0 164 552 A S H X>S+ 0 0 3 -4,-2.0 5,-3.1 2,-0.2 4,-0.8 0.900 109.5 51.2 -61.2 -40.9 11.5 22.1 13.3 165 553 A K H ><5S+ 0 0 73 -4,-2.8 3,-0.5 3,-0.2 -2,-0.2 0.966 112.4 43.8 -60.0 -56.4 12.6 25.7 13.4 166 554 A E H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.957 120.6 38.5 -55.1 -57.9 15.8 25.0 15.4 167 555 A L H 3<5S- 0 0 41 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.532 113.4-121.1 -75.8 -5.1 16.9 21.9 13.4 168 556 A N T <<5 + 0 0 141 -4,-0.8 2,-0.5 -3,-0.5 -3,-0.2 0.921 54.1 157.6 69.1 49.2 15.7 23.7 10.2 169 557 A I < - 0 0 25 -5,-3.1 -1,-0.2 -8,-0.2 -2,-0.1 -0.913 25.5-170.9-111.6 129.5 13.1 21.1 9.1 170 558 A Q + 0 0 97 -2,-0.5 2,-0.5 1,-0.1 -1,-0.2 0.970 68.7 59.3 -83.2 -58.6 10.2 22.1 6.8 171 559 A E E +d 150 0A 68 -22,-0.5 -20,-1.9 -7,-0.1 2,-0.3 -0.636 66.0 139.9 -82.6 119.5 7.9 19.1 6.6 172 560 A Y E -d 151 0A 60 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.983 33.3-153.6-153.8 149.0 6.5 18.0 10.0 173 561 A Y E -d 152 0A 94 -22,-2.4 -20,-0.7 -2,-0.3 2,-0.2 -0.976 16.3-164.6-124.2 141.3 3.1 16.8 11.4 174 562 A S + 0 0 29 -2,-0.4 -18,-0.2 -22,-0.2 -20,-0.2 -0.687 60.2 32.8-119.7 174.6 2.0 17.3 15.0 175 563 A N S S+ 0 0 105 -20,-2.9 2,-0.3 -2,-0.2 -21,-0.3 0.758 78.8 162.3 53.5 32.1 -0.7 15.9 17.4 176 564 A L - 0 0 27 -23,-2.6 -1,-0.2 -3,-0.2 -3,-0.0 -0.631 33.0-144.0 -87.5 135.6 -0.5 12.5 15.7 177 565 A S > - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.539 36.9-102.8 -80.9 161.3 -1.8 9.3 17.2 178 566 A P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 29,-0.1 0.879 127.3 52.7 -51.5 -35.7 0.2 6.1 16.5 179 567 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.838 104.1 54.1 -72.6 -35.2 -2.6 5.3 14.0 180 568 A D H > S+ 0 0 60 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.908 109.3 49.5 -59.6 -43.4 -2.2 8.7 12.3 181 569 A K H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.948 108.5 52.1 -63.2 -45.8 1.5 7.9 11.8 182 570 A V H X S+ 0 0 35 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.1 49.8 -57.3 -45.4 0.8 4.5 10.4 183 571 A R H X S+ 0 0 184 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.840 108.6 54.6 -62.4 -32.8 -1.6 6.0 7.8 184 572 A I H X S+ 0 0 25 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.925 108.0 48.0 -66.3 -45.4 1.1 8.5 6.9 185 573 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.964 111.3 50.0 -58.2 -52.7 3.7 5.8 6.2 186 574 A E H X S+ 0 0 105 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.896 111.0 50.1 -56.2 -41.6 1.2 3.8 4.1 187 575 A K H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 109.9 49.5 -62.9 -45.1 0.4 6.9 2.1 188 576 A L H <>S+ 0 0 32 -4,-2.5 5,-2.4 2,-0.2 4,-0.4 0.929 114.1 46.1 -57.8 -46.5 4.0 7.7 1.4 189 577 A K H ><5S+ 0 0 81 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.882 111.4 51.5 -63.4 -40.6 4.6 4.2 0.3 190 578 A Q H 3<5S+ 0 0 140 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.891 105.7 56.5 -59.7 -40.6 1.4 4.3 -1.9 191 579 A N T 3<5S- 0 0 74 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.588 127.6-102.4 -70.9 -10.2 2.8 7.5 -3.4 192 580 A G T < 5S+ 0 0 58 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.2 0.353 72.7 144.0 108.0 -3.1 5.9 5.5 -4.3 193 581 A N < - 0 0 49 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.460 46.2-141.2 -72.6 134.6 8.3 6.7 -1.7 194 582 A K - 0 0 39 -2,-0.2 -167,-3.0 -169,-0.1 -166,-2.5 -0.887 33.0-159.7 -91.8 119.1 10.9 4.4 -0.2 195 583 A V E -c 28 0A 0 -2,-0.7 18,-2.1 -169,-0.2 17,-1.2 -0.874 21.9-167.1-119.4 126.7 10.8 5.4 3.5 196 584 A L E -ce 29 213A 7 -168,-3.1 -166,-2.7 -2,-0.5 2,-0.4 -0.927 18.9-163.8-108.7 130.6 13.3 5.0 6.3 197 585 A M E -ce 30 214A 0 16,-2.5 18,-3.4 -2,-0.5 2,-0.5 -0.946 14.1-161.0-125.0 141.2 12.0 5.7 9.7 198 586 A I E +ce 31 215A 1 -168,-2.7 -166,-1.8 -2,-0.4 2,-0.2 -0.969 31.7 142.7-118.9 123.6 13.6 6.4 13.0 199 587 A G E - e 0 216A 0 16,-2.4 18,-2.1 -2,-0.5 -164,-0.1 -0.833 61.5 -89.7-150.8-177.2 11.5 6.0 16.2 200 588 A D - 0 0 35 -2,-0.2 16,-0.1 16,-0.2 -165,-0.0 0.762 56.2-126.2 -77.3 -26.6 11.3 4.9 19.8 201 589 A G S S+ 0 0 35 14,-0.1 21,-0.1 1,-0.1 15,-0.1 0.380 91.9 45.1 100.1 -3.2 10.3 1.3 18.9 202 590 A V S > S+ 0 0 75 3,-0.0 3,-2.5 2,-0.0 4,-0.3 0.522 103.5 47.7-129.1 -73.4 7.1 1.2 21.0 203 591 A N T 3 S+ 0 0 97 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.495 132.1 26.6 -56.6 -1.4 4.8 4.2 20.8 204 592 A D T 3> S+ 0 0 2 2,-0.1 4,-1.9 -23,-0.1 -1,-0.3 0.001 79.5 128.5-151.9 30.2 5.2 4.0 17.0 205 593 A A H <> S+ 0 0 48 -3,-2.5 4,-2.3 1,-0.2 -2,-0.1 0.807 74.9 53.5 -63.2 -32.5 5.9 0.3 16.4 206 594 A A H > S+ 0 0 56 -4,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.933 107.2 50.6 -70.8 -43.6 3.2 -0.1 13.8 207 595 A A H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.903 113.4 46.5 -57.3 -43.7 4.6 2.9 11.8 208 596 A L H >< S+ 0 0 8 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.913 103.7 61.5 -63.1 -45.9 8.0 1.3 11.9 209 597 A A H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 110.3 42.5 -54.2 -28.9 6.7 -2.1 11.0 210 598 A L H 3< S+ 0 0 59 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.573 88.8 111.9 -93.1 -12.0 5.5 -0.5 7.7 211 599 A A S << S- 0 0 10 -3,-1.4 3,-0.3 -4,-0.6 -15,-0.2 -0.305 74.6-127.8 -61.8 145.7 8.6 1.6 7.0 212 600 A D S S+ 0 0 48 -17,-1.2 2,-0.4 1,-0.3 -16,-0.2 0.952 103.9 7.6 -57.1 -47.4 10.7 0.5 4.0 213 601 A V E S-e 196 0A 0 -18,-2.1 -16,-2.5 -190,-0.1 2,-0.4 -0.980 84.7-159.0-135.3 127.9 13.6 0.4 6.4 214 602 A S E -e 197 0A 4 -2,-0.4 10,-2.0 -3,-0.3 2,-0.5 -0.851 6.7-164.5-110.4 139.9 13.0 1.0 10.1 215 603 A V E -ef 198 224A 0 -18,-3.4 -16,-2.4 -2,-0.4 2,-0.4 -0.986 5.3-163.3-123.4 124.6 15.4 2.1 12.8 216 604 A A E -ef 199 225A 10 8,-2.7 10,-3.4 -2,-0.5 -16,-0.2 -0.864 20.2-123.8-100.2 140.0 14.6 1.7 16.5 217 605 A M E - f 0 226A 9 -18,-2.1 10,-0.2 -2,-0.4 -181,-0.1 -0.389 17.1-124.5 -71.3 156.7 16.5 3.6 19.2 218 606 A G 0 0 45 8,-1.5 9,-0.1 -2,-0.1 -1,-0.1 0.653 360.0 360.0 -72.2 -13.9 18.3 1.7 22.0 219 607 A N 0 0 83 7,-0.2 -2,-0.2 -184,-0.1 7,-0.1 -0.548 360.0 360.0 -86.0 360.0 16.2 3.9 24.4 220 ! 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 0.0 221 615 A V 0 0 169 0, 0.0 -206,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -46.6 11.7 -6.3 15.3 222 616 A A - 0 0 16 1,-0.1 3,-0.2 -21,-0.1 -7,-0.1 -0.208 360.0-119.0 -58.8 151.2 13.0 -3.1 13.7 223 617 A D S S+ 0 0 26 1,-0.2 -208,-1.6 -9,-0.2 2,-0.4 0.871 99.3 22.4 -60.4 -38.9 15.4 -3.5 10.7 224 618 A I E -Af 14 215A 2 -10,-2.0 -8,-2.7 -210,-0.2 2,-0.6 -0.984 67.1-156.9-135.8 126.2 18.1 -1.6 12.6 225 619 A I E -Af 13 216A 57 -212,-2.7 -212,-2.6 -2,-0.4 2,-1.6 -0.892 12.3-147.3-101.2 123.9 18.5 -1.1 16.3 226 620 A L E > + f 0 217A 0 -10,-3.4 3,-1.5 -2,-0.6 -8,-1.5 -0.635 23.8 173.0 -87.1 79.9 20.6 1.9 17.3 227 621 A V T 3 S+ 0 0 75 -2,-1.6 -1,-0.2 -216,-0.4 -215,-0.1 0.857 80.2 50.3 -53.7 -37.7 22.1 0.4 20.4 228 622 A S T 3 S- 0 0 52 -217,-1.4 -1,-0.3 -3,-0.2 3,-0.1 0.666 99.4-136.2 -76.2 -18.0 24.4 3.5 20.7 229 623 A N < + 0 0 45 -3,-1.5 2,-1.3 -218,-0.3 3,-0.2 0.674 56.5 148.0 60.9 18.2 21.5 5.9 20.3 230 624 A D > + 0 0 68 -219,-0.3 4,-0.9 1,-0.2 -1,-0.2 -0.664 18.7 167.8 -87.3 89.0 24.0 7.5 18.0 231 625 A I H > S+ 0 0 13 -2,-1.3 4,-3.1 2,-0.2 5,-0.3 0.854 73.1 62.1 -70.5 -35.5 21.8 9.1 15.3 232 626 A G H > S+ 0 0 15 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.947 104.1 48.2 -53.7 -50.3 24.7 11.1 13.9 233 627 A T H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.785 112.0 50.5 -62.0 -28.6 26.5 7.9 13.0 234 628 A L H X S+ 0 0 5 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.918 113.1 44.1 -73.3 -43.0 23.3 6.6 11.4 235 629 A L H X S+ 0 0 22 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.795 109.8 58.4 -72.6 -28.4 22.9 9.8 9.4 236 630 A G H < S+ 0 0 44 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.985 108.1 45.3 -59.1 -58.3 26.5 9.6 8.6 237 631 A L H < S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.951 114.6 47.3 -47.7 -60.5 26.0 6.2 7.1 238 632 A I H < 0 0 37 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.921 360.0 360.0 -50.7 -49.5 22.9 7.3 5.2 239 633 A K < 0 0 67 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.951 360.0 360.0 -69.5 360.0 24.7 10.4 3.9