==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-09 3A1E . COMPND 2 MOLECULE: PROBABLE COPPER-EXPORTING P-TYPE ATPASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR T.TSUDA,C.TOYOSHIMA . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 13.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 0 4 2 3 0 2 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 3 0 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 400 A A 0 0 128 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.4 49.2 10.9 50.4 2 401 A E - 0 0 169 1,-0.1 251,-0.1 251,-0.0 250,-0.1 -0.695 360.0 -84.6 -96.5 152.5 47.9 13.6 52.7 3 402 A L + 0 0 89 -2,-0.3 2,-0.3 249,-0.1 -1,-0.1 -0.237 47.5 177.8 -47.8 133.7 49.8 16.7 54.0 4 403 A G + 0 0 17 -3,-0.1 248,-1.9 2,-0.0 2,-0.6 -0.862 11.6 180.0-145.5 113.1 51.9 15.9 57.1 5 404 A I E -A 251 0A 41 -2,-0.3 2,-0.8 246,-0.2 246,-0.2 -0.916 15.1-160.3-112.2 104.3 54.1 18.6 58.7 6 405 A L E -A 250 0A 62 244,-3.0 244,-2.3 -2,-0.6 2,-0.6 -0.760 0.4-159.4 -93.2 111.8 55.8 17.0 61.7 7 406 A I E +A 249 0A 72 -2,-0.8 242,-0.2 242,-0.2 3,-0.1 -0.825 15.5 174.3 -91.1 121.6 57.0 19.6 64.2 8 407 A K + 0 0 99 240,-2.8 2,-0.4 -2,-0.6 241,-0.2 0.479 65.6 50.3-106.6 -5.3 59.7 18.1 66.3 9 408 A N S > S- 0 0 68 239,-0.7 3,-2.0 1,-0.1 4,-0.3 -0.995 71.9-139.1-141.9 127.5 60.7 21.3 68.1 10 409 A A T 3 S+ 0 0 101 -2,-0.4 3,-0.2 1,-0.3 4,-0.2 0.698 106.9 47.4 -58.5 -21.7 58.4 23.8 69.9 11 410 A D T 3> S+ 0 0 81 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.355 78.0 103.0-105.4 5.5 60.4 26.7 68.5 12 411 A A H <> S+ 0 0 2 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.857 84.8 46.9 -53.9 -40.8 60.6 25.5 64.9 13 412 A L H > S+ 0 0 48 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.840 107.5 55.3 -78.0 -30.6 58.0 28.0 63.7 14 413 A E H > S+ 0 0 103 2,-0.2 4,-0.8 -4,-0.2 -2,-0.2 0.911 113.5 43.4 -61.7 -42.6 59.6 30.9 65.6 15 414 A V H >X S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 4,-1.0 0.942 108.8 57.6 -66.6 -44.9 62.8 30.1 63.7 16 415 A A H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.854 100.9 57.6 -51.9 -39.2 60.8 29.6 60.4 17 416 A E H 3< S+ 0 0 116 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.830 110.4 43.9 -59.9 -33.7 59.6 33.2 60.9 18 417 A K H << S+ 0 0 117 -3,-1.2 -1,-0.2 -4,-0.8 195,-0.2 0.510 82.1 124.9 -91.0 -11.0 63.2 34.5 60.9 19 418 A V << + 0 0 4 -4,-1.0 195,-0.2 -3,-0.6 3,-0.1 -0.309 28.1 173.5 -56.1 130.8 64.6 32.4 58.0 20 419 A T + 0 0 53 193,-2.3 148,-2.6 1,-0.3 2,-0.3 0.517 66.9 35.5-112.6 -15.8 66.2 34.5 55.2 21 420 A A E -bc 168 214A 1 192,-1.8 194,-2.6 146,-0.2 2,-0.5 -0.981 59.6-161.2-144.1 130.2 67.6 31.7 53.0 22 421 A V E -bc 169 215A 0 146,-3.1 148,-2.9 -2,-0.3 2,-0.6 -0.956 12.6-167.7-110.4 122.1 66.3 28.3 52.1 23 422 A I E -bc 170 216A 2 192,-3.1 194,-3.1 -2,-0.5 2,-0.4 -0.956 4.8-158.7-113.4 119.7 68.9 25.9 50.8 24 423 A F E -bc 171 217A 0 146,-2.5 148,-2.6 -2,-0.6 2,-0.3 -0.765 17.5-129.9 -93.4 136.7 67.8 22.6 49.2 25 424 A D E > -b 172 0A 4 192,-3.0 5,-0.7 -2,-0.4 148,-0.2 -0.636 26.9-141.5 -70.4 141.6 69.9 19.5 48.7 26 425 A K I >>>S+ 0 0 12 146,-1.6 4,-2.1 -2,-0.3 5,-1.5 0.992 70.6 75.7 -72.2 -61.6 69.5 18.6 45.1 27 426 A T I 345S- 0 0 59 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 -0.341 118.2 -12.1 -78.2 117.2 69.3 14.9 44.7 28 427 A G I 345S+ 0 0 33 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.208 132.0 66.6 86.3 -17.8 66.0 13.3 45.7 29 428 A T I <45S+ 0 0 2 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.2 0.855 119.3 15.4 -96.9 -58.3 64.9 16.5 47.3 30 429 A L I < + 0 0 76 1,-0.2 4,-1.9 2,-0.1 -1,-0.1 -0.607 26.5 168.2 -83.6 87.3 80.7 0.3 21.3 47 446 A E H > S+ 0 0 103 -2,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.841 75.1 53.3 -66.5 -38.9 77.8 1.5 23.5 48 447 A R H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 110.7 45.9 -65.3 -45.4 77.0 -2.0 24.9 49 448 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.866 110.6 53.4 -66.2 -38.3 80.6 -2.5 26.0 50 449 A L H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.951 114.1 43.0 -55.1 -49.8 80.8 1.0 27.6 51 450 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.876 111.7 53.9 -66.0 -40.6 77.7 0.1 29.6 52 451 A R H X S+ 0 0 80 -4,-2.6 4,-1.2 2,-0.2 29,-0.3 0.891 109.8 47.2 -61.7 -44.5 78.9 -3.4 30.5 53 452 A L H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.925 112.7 48.4 -63.8 -46.4 82.2 -2.1 31.9 54 453 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.875 106.4 56.8 -64.8 -36.6 80.5 0.6 34.0 55 454 A A H < S+ 0 0 1 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.825 103.0 56.2 -65.5 -31.9 77.9 -1.8 35.4 56 455 A I H >< S+ 0 0 21 -4,-1.2 3,-1.0 -3,-0.3 4,-0.3 0.951 111.4 41.9 -58.5 -52.4 80.7 -4.0 36.7 57 456 A A H 3< S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.751 115.0 51.5 -67.7 -25.1 82.2 -1.1 38.7 58 457 A E T >< S+ 0 0 10 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.387 81.1 99.3 -96.2 1.4 78.8 0.1 39.9 59 458 A R T < S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.839 83.4 41.6 -59.4 -41.5 77.6 -3.2 41.2 60 459 A R T 3 S+ 0 0 129 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 0.538 95.0 99.2 -88.3 -7.7 78.3 -2.7 44.9 61 460 A S < - 0 0 18 -3,-0.8 33,-0.0 1,-0.1 -3,-0.0 -0.681 52.8-161.6-101.1 132.0 77.1 0.9 45.2 62 461 A E + 0 0 180 -2,-0.4 -1,-0.1 4,-0.1 5,-0.0 0.488 58.1 123.5 -80.3 -2.7 73.7 2.3 46.6 63 462 A Q S > S- 0 0 86 1,-0.1 4,-2.3 -5,-0.1 5,-0.2 -0.276 72.3-119.4 -62.7 141.0 74.5 5.6 44.8 64 463 A P H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.791 113.0 49.9 -50.0 -41.1 71.9 7.0 42.2 65 464 A I H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 111.5 50.1 -64.5 -45.2 74.3 7.0 39.2 66 465 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 110.5 48.8 -56.6 -48.3 75.3 3.4 40.0 67 466 A E H X S+ 0 0 107 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 111.2 50.0 -65.6 -39.1 71.7 2.3 40.2 68 467 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 -31,-0.4 0.891 112.0 47.3 -62.5 -43.3 70.8 4.0 36.9 69 468 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.946 114.1 46.4 -67.5 -45.7 73.8 2.3 35.1 70 469 A V H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.940 113.6 50.3 -62.2 -45.3 73.0 -1.1 36.5 71 470 A K H X S+ 0 0 102 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.907 110.8 47.8 -56.6 -47.9 69.3 -0.7 35.6 72 471 A K H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.906 110.0 53.2 -63.0 -41.7 70.1 0.4 32.0 73 472 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.3 0.938 110.7 46.6 -57.2 -48.1 72.5 -2.6 31.6 74 473 A L H ><5S+ 0 0 104 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.919 108.5 55.8 -60.5 -44.6 69.7 -5.0 32.8 75 474 A E H 3<5S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.2 46.2 -56.1 -34.4 67.2 -3.3 30.4 76 475 A H T 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.399 118.2-112.5 -91.3 2.6 69.6 -4.0 27.5 77 476 A G T < 5 + 0 0 56 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.800 59.3 160.7 73.8 29.9 70.2 -7.6 28.6 78 477 A I < - 0 0 6 -5,-2.7 2,-0.2 -6,-0.2 -1,-0.2 -0.673 45.7-109.8 -85.9 136.9 73.8 -7.1 29.6 79 478 A E - 0 0 168 -2,-0.3 2,-0.5 1,-0.1 -24,-0.1 -0.486 30.0-129.5 -65.4 126.9 75.5 -9.6 31.9 80 479 A L - 0 0 41 -2,-0.2 -1,-0.1 -25,-0.0 -24,-0.1 -0.711 24.7-139.3 -80.6 122.1 76.1 -8.1 35.3 81 480 A G - 0 0 19 -2,-0.5 -1,-0.0 -29,-0.3 -22,-0.0 -0.319 3.2-134.2 -77.5 161.8 79.7 -8.7 36.4 82 481 A E - 0 0 123 -2,-0.1 2,-0.2 -23,-0.0 -26,-0.1 -0.881 22.6-153.3-115.9 98.2 80.9 -9.7 39.9 83 482 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 13,-0.0 -0.506 10.1-145.7 -74.6 141.6 83.9 -7.5 40.7 84 483 A E S S+ 0 0 164 1,-0.3 2,-0.4 -2,-0.2 12,-0.0 0.900 85.1 11.2 -67.4 -43.7 86.4 -9.0 43.2 85 484 A K - 0 0 155 2,-0.0 12,-1.0 -3,-0.0 2,-0.4 -1.000 63.8-175.2-139.8 135.6 87.1 -5.6 44.7 86 485 A V E -I 96 0C 37 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -1.000 10.3-156.9-127.8 133.0 85.5 -2.2 44.4 87 486 A E E -I 95 0C 108 8,-2.8 8,-2.0 -2,-0.4 2,-0.6 -0.947 6.1-158.2-107.8 127.0 86.8 1.0 46.0 88 487 A V E -I 94 0C 97 -2,-0.5 2,-0.6 6,-0.2 6,-0.2 -0.932 7.8-164.9-105.7 116.1 84.2 3.8 46.5 89 488 A I E >> -I 93 0C 29 4,-2.8 3,-2.2 -2,-0.6 4,-1.9 -0.914 24.2-118.2-109.3 114.6 85.8 7.2 46.8 90 489 A A T 34 S+ 0 0 69 -2,-0.6 107,-0.1 1,-0.3 4,-0.0 -0.181 95.9 5.4 -50.9 130.8 83.6 10.0 48.2 91 490 A G T 34 S+ 0 0 24 1,-0.1 -1,-0.3 105,-0.1 14,-0.2 0.553 129.1 61.8 74.0 9.5 83.1 12.8 45.8 92 491 A E T <4 S- 0 0 35 -3,-2.2 11,-2.2 1,-0.2 14,-0.4 0.665 92.5-118.3-130.4 -57.4 84.9 10.9 43.0 93 492 A G E < -IJ 89 102C 19 -4,-1.9 -4,-2.8 9,-0.2 2,-0.3 -0.994 40.1 -41.1 147.0-148.5 83.3 7.6 41.9 94 493 A V E -IJ 88 101C 4 7,-2.5 7,-2.2 -2,-0.3 2,-0.4 -0.860 28.9-161.4-125.0 153.1 84.2 3.9 41.8 95 494 A V E +IJ 87 100C 20 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.4 -0.994 18.5 171.8-134.3 119.1 87.2 1.8 40.9 96 495 A A E > -IJ 86 99C 0 3,-2.7 3,-2.9 -2,-0.4 -10,-0.2 -0.954 65.8 -32.5-139.6 120.5 86.7 -1.9 40.2 97 496 A D T 3 S- 0 0 92 -12,-1.0 3,-0.1 -2,-0.4 -11,-0.1 0.869 128.6 -41.6 40.8 47.5 89.1 -4.5 38.8 98 497 A G T 3 S+ 0 0 36 1,-0.2 40,-1.3 39,-0.1 2,-0.4 0.336 114.1 117.4 88.8 -5.2 90.9 -1.7 36.8 99 498 A I E < -JK 96 137C 12 -3,-2.9 -3,-2.7 38,-0.2 2,-0.4 -0.804 46.5-159.5 -98.1 133.7 87.7 0.1 35.7 100 499 A L E +JK 95 136C 10 36,-3.4 36,-2.5 -2,-0.4 2,-0.4 -0.936 13.0 176.4-113.3 136.7 86.9 3.7 36.7 101 500 A V E +JK 94 135C 0 -7,-2.2 -7,-2.5 -2,-0.4 2,-0.3 -0.930 42.3 68.3-134.0 114.2 83.5 5.4 36.7 102 501 A G E S-JK 93 134C 3 32,-2.2 32,-3.2 -2,-0.4 -9,-0.2 -0.980 73.1 -43.0 173.8-157.8 83.3 8.9 38.0 103 502 A N > - 0 0 52 -11,-2.2 4,-2.0 -2,-0.3 3,-0.3 -0.073 61.7 -86.7 -91.1-173.5 84.1 12.6 37.6 104 503 A K H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.818 126.0 61.5 -64.7 -30.1 87.2 14.5 36.6 105 504 A R H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 106.1 46.5 -61.3 -41.2 88.3 14.4 40.3 106 505 A L H > S+ 0 0 0 -14,-0.4 4,-1.4 -3,-0.3 -2,-0.2 0.933 112.2 49.3 -65.4 -48.0 88.4 10.6 40.0 107 506 A M H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 3,-0.4 0.917 112.5 48.5 -56.6 -46.0 90.3 10.8 36.7 108 507 A E H ><5S+ 0 0 81 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.918 106.0 57.8 -59.5 -45.8 92.8 13.2 38.2 109 508 A D H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 115.8 35.7 -54.4 -34.0 93.2 10.9 41.3 110 509 A F T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.265 113.7-113.1-107.5 10.6 94.3 8.1 39.0 111 510 A G T < 5 + 0 0 67 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.803 59.2 156.7 61.8 33.8 96.2 10.2 36.4 112 511 A V < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.827 41.4-126.6 -89.7 122.0 93.8 9.5 33.5 113 512 A A - 0 0 71 -2,-0.6 2,-0.7 26,-0.5 28,-0.4 -0.466 12.8-149.5 -70.0 135.6 94.1 12.2 30.9 114 513 A V - 0 0 12 -2,-0.2 -1,-0.0 261,-0.1 264,-0.0 -0.924 21.0-149.4-110.0 106.6 90.8 14.0 29.9 115 514 A S > - 0 0 55 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.101 26.2-105.6 -72.7 169.4 91.1 15.1 26.3 116 515 A N H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 121.8 56.2 -59.3 -42.6 89.5 18.1 24.6 117 516 A E H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 109.7 45.5 -58.2 -42.7 87.1 15.8 22.8 118 517 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.960 112.0 50.8 -64.4 -50.7 86.0 14.4 26.3 119 518 A E H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.863 110.5 50.7 -55.2 -39.9 85.7 17.9 27.8 120 519 A L H X S+ 0 0 70 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.884 109.7 49.3 -64.3 -42.5 83.6 19.0 24.8 121 520 A A H X S+ 0 0 23 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.888 110.8 51.2 -65.3 -38.3 81.3 16.1 25.2 122 521 A L H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.859 107.7 52.4 -64.0 -39.4 80.9 16.9 29.0 123 522 A E H X S+ 0 0 5 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.945 111.4 46.8 -63.9 -44.1 80.0 20.5 28.2 124 523 A K H X S+ 0 0 96 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.908 117.5 42.2 -62.7 -44.0 77.3 19.4 25.8 125 524 A L H ><>S+ 0 0 4 -4,-2.1 5,-0.9 2,-0.2 3,-0.6 0.922 115.3 46.6 -72.8 -45.7 75.9 16.8 28.2 126 525 A E H ><5S+ 0 0 29 -4,-2.8 3,-1.9 1,-0.3 56,-0.2 0.827 105.3 60.6 -67.9 -32.5 76.1 18.9 31.5 127 526 A R H 3<5S+ 0 0 18 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.806 98.5 59.9 -62.4 -27.4 74.5 21.9 29.7 128 527 A E T <<5S- 0 0 54 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.277 126.6-105.8 -83.4 11.6 71.5 19.5 29.2 129 528 A A T < 5S+ 0 0 19 -3,-1.9 20,-0.4 1,-0.2 2,-0.3 0.852 77.5 133.5 66.3 41.2 71.3 19.3 33.0 130 529 A K < - 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L 0 136C 16 -28,-0.4 -5,-0.3 -2,-0.4 3,-0.1 -0.384 25.8-175.8 -58.8 127.6 89.0 7.0 28.9 142 541 A E E - 0 0 41 -7,-3.5 -99,-2.5 1,-0.4 -98,-0.4 0.726 54.9 -70.3 -94.1 -32.7 86.5 4.6 27.3 143 542 A G E -HL 42 135C 0 -8,-1.7 -8,-3.0 -101,-0.3 2,-0.4 -0.991 47.6 -76.6 165.4-168.2 83.6 7.0 27.1 144 543 A I E -HL 41 134C 0 -103,-2.0 -103,-3.2 -2,-0.3 2,-0.5 -0.972 23.2-162.4-129.4 137.6 81.0 9.0 28.9 145 544 A I E -HL 40 133C 0 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.4 -0.985 13.0-154.3-117.4 128.6 77.7 7.9 30.4 146 545 A A E -HL 39 132C 0 -107,-2.7 -108,-2.6 -2,-0.5 -107,-1.4 -0.896 8.4-168.7-107.5 139.0 75.1 10.6 31.1 147 546 A V E -HL 37 131C 8 -16,-3.6 -16,-3.0 -2,-0.4 2,-0.4 -0.963 1.6-164.6-125.9 137.3 72.5 10.2 33.8 148 547 A S E -H 36 0C 30 -112,-2.8 -112,-2.2 -2,-0.4 2,-0.4 -0.972 11.7-174.2-123.3 138.8 69.4 12.4 34.3 149 548 A D - 0 0 30 -2,-0.4 2,-0.1 -20,-0.4 -2,-0.0 -0.986 30.7-128.8-126.8 122.9 67.0 12.8 37.2 150 549 A T - 0 0 85 -2,-0.4 -118,-2.5 -116,-0.3 -116,-0.2 -0.362 23.3-105.5 -70.3 143.2 64.1 15.1 36.5 151 550 A L B -G 31 0B 28 -120,-0.3 -120,-0.3 1,-0.1 -1,-0.1 -0.416 44.5-100.6 -59.8 141.5 63.2 18.0 38.8 152 551 A K >> - 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0 0 64 1,-0.1 2,-0.2 251,-0.0 3,-0.1 -0.210 360.0-105.3 -63.8 154.2 80.6 60.7 25.5 272 401 B E - 0 0 159 1,-0.1 -1,-0.1 250,-0.0 251,-0.1 -0.591 34.4 -98.3 -84.4 144.8 77.4 60.8 23.4 273 402 B L - 0 0 92 -2,-0.2 2,-0.3 249,-0.1 -1,-0.1 -0.324 42.9-179.1 -52.0 133.2 74.8 58.0 23.0 274 403 B G + 0 0 17 -3,-0.1 248,-2.2 2,-0.0 2,-0.6 -0.878 11.6 179.2-144.0 110.1 75.4 56.2 19.8 275 404 B I E -M 521 0D 44 -2,-0.3 2,-0.7 246,-0.2 246,-0.2 -0.938 14.8-160.4-111.9 105.0 73.1 53.3 18.8 276 405 B L E -M 520 0D 59 244,-3.3 244,-2.6 -2,-0.6 2,-0.6 -0.802 1.1-158.5 -93.4 112.7 74.3 52.0 15.4 277 406 B I E +M 519 0D 67 -2,-0.7 242,-0.2 242,-0.2 3,-0.1 -0.844 15.7 174.8 -93.5 120.4 71.6 50.0 13.6 278 407 B K + 0 0 105 240,-2.7 2,-0.4 -2,-0.6 241,-0.1 0.401 65.1 50.3-106.4 0.0 73.1 47.6 11.0 279 408 B N S > S- 0 0 65 239,-0.6 3,-2.1 1,-0.1 4,-0.3 -0.993 71.3-137.6-148.0 129.8 69.9 45.9 10.1 280 409 B A T 3 S+ 0 0 104 -2,-0.4 3,-0.3 1,-0.3 4,-0.2 0.730 109.4 46.6 -57.5 -27.3 66.4 47.2 9.1 281 410 B D T 3> S+ 0 0 88 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.311 80.5 105.9 -97.0 7.5 64.8 44.5 11.3 282 411 B A H <> S+ 0 0 2 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.876 83.4 42.5 -59.4 -39.8 67.1 45.1 14.3 283 412 B L H > S+ 0 0 34 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.859 110.7 55.1 -78.2 -34.0 64.4 46.9 16.4 284 413 B E H > S+ 0 0 89 -4,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.952 114.6 41.5 -58.3 -48.8 61.6 44.4 15.4 285 414 B V H >X S+ 0 0 42 -4,-2.4 3,-1.3 1,-0.2 4,-0.9 0.911 109.3 58.8 -63.0 -44.7 63.8 41.6 16.7 286 415 B A H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.873 101.9 55.2 -54.5 -39.0 64.9 43.6 19.8 287 416 B E H 3< S+ 0 0 84 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.773 107.5 50.3 -66.1 -24.9 61.3 43.9 20.8 288 417 B K H << S+ 0 0 113 -3,-1.3 -1,-0.2 -4,-0.7 195,-0.2 0.579 81.4 123.2 -88.9 -10.8 61.0 40.1 20.7 289 418 B V << + 0 0 10 -4,-0.9 195,-0.2 -3,-0.8 3,-0.1 -0.290 30.5 174.0 -59.8 129.1 64.1 39.4 22.8 290 419 B T + 0 0 53 193,-2.3 148,-2.7 1,-0.3 2,-0.3 0.578 66.9 33.0-109.8 -18.5 63.4 37.3 26.0 291 420 B A E -no 438 484D 0 192,-1.9 194,-2.5 146,-0.2 2,-0.5 -0.985 60.7-160.4-144.2 133.3 66.9 36.7 27.3 292 421 B V E -no 439 485D 0 146,-2.9 148,-2.6 -2,-0.3 2,-0.5 -0.966 10.4-166.2-114.8 124.5 70.0 39.0 27.1 293 422 B I E -no 440 486D 1 192,-3.1 194,-3.0 -2,-0.5 2,-0.5 -0.961 5.9-155.1-118.2 117.4 73.4 37.3 27.6 294 423 B F E -no 441 487D 0 146,-2.5 148,-2.6 -2,-0.5 2,-0.3 -0.818 16.0-130.4 -94.8 128.6 76.5 39.4 28.3 295 424 B D E > -n 442 0D 6 192,-3.2 5,-0.9 -2,-0.5 148,-0.2 -0.617 27.4-138.4 -66.3 131.3 79.9 38.2 27.5 296 425 B K I >>>S+ 0 0 13 146,-2.6 4,-1.9 -2,-0.3 5,-1.5 0.971 85.2 29.6 -64.7 -63.1 81.9 38.9 30.7 297 426 B T I 345S+ 0 0 57 1,-0.3 2,-0.6 2,-0.2 4,-0.2 0.929 121.4 48.4 -76.6 -42.4 85.3 40.3 30.0 298 427 B G I 345S+ 0 0 19 1,-0.1 208,-0.3 2,-0.1 -1,-0.3 -0.181 133.9 6.5 -83.7 43.9 84.5 42.1 26.7 299 428 B T I <45S+ 0 0 3 -3,-1.0 -3,-0.2 -2,-0.6 -2,-0.2 0.174 122.7 49.1 179.0 -51.9 81.4 43.8 28.2 300 429 B L I < + 0 0 87 1,-0.2 4,-1.1 -5,-0.1 -1,-0.2 -0.563 36.6 176.2 -71.0 100.3 109.5 34.6 47.3 317 446 B E H > S+ 0 0 98 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.865 76.3 55.2 -72.0 -38.7 106.7 36.6 45.7 318 447 B R H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.788 108.4 47.8 -69.2 -31.0 109.0 38.6 43.4 319 448 B E H > S+ 0 0 65 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.801 110.3 52.0 -79.9 -33.5 110.5 35.5 41.9 320 449 B L H X S+ 0 0 2 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.942 113.8 45.2 -60.1 -49.4 107.0 34.0 41.3 321 450 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.840 109.7 56.0 -62.8 -37.8 106.1 37.3 39.6 322 451 B R H X S+ 0 0 91 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.946 108.7 45.2 -61.2 -50.9 109.4 37.3 37.7 323 452 B L H >X S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 3,-0.5 0.885 113.5 48.3 -59.1 -46.7 108.8 33.9 36.1 324 453 B A H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.2 0.874 105.0 57.7 -67.5 -39.6 105.1 34.4 35.1 325 454 B A H 3< S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.739 102.3 58.0 -63.5 -24.5 105.8 37.8 33.5 326 455 B I H X< S+ 0 0 23 -4,-0.9 3,-0.5 -3,-0.5 28,-0.3 0.911 109.6 41.6 -68.9 -45.3 108.3 36.1 31.1 327 456 B A H 3< S+ 0 0 0 -4,-1.1 3,-0.3 -3,-0.2 4,-0.3 0.763 117.2 48.3 -75.2 -26.8 105.7 33.7 29.7 328 457 B E T 3< S+ 0 0 11 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.460 81.8 101.7 -92.4 -3.7 103.0 36.3 29.5 329 458 B R S < S+ 0 0 126 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.812 87.8 35.6 -51.7 -39.5 105.2 38.9 27.8 330 459 B R S S+ 0 0 158 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.777 96.4 97.3 -89.1 -29.8 103.7 38.3 24.3 331 460 B S - 0 0 29 -4,-0.3 -3,-0.0 -3,-0.2 33,-0.0 -0.189 55.2-156.6 -69.2 152.1 100.1 37.6 25.0 332 461 B E + 0 0 162 4,-0.1 -1,-0.1 5,-0.0 -3,-0.0 0.245 54.9 126.2-105.8 7.7 97.3 40.2 24.8 333 462 B Q S > S- 0 0 82 1,-0.1 4,-2.3 -5,-0.1 3,-0.4 -0.448 71.3-119.2 -72.3 137.5 95.1 38.2 27.2 334 463 B P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.823 114.7 48.9 -41.9 -47.8 93.8 40.1 30.4 335 464 B I H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 111.7 50.5 -61.5 -43.6 95.6 37.8 32.8 336 465 B A H > S+ 0 0 0 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.893 112.0 46.0 -61.9 -44.4 98.8 38.2 30.8 337 466 B E H X S+ 0 0 100 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.870 111.5 52.5 -67.5 -38.1 98.6 42.0 30.8 338 467 B A H X S+ 0 0 2 -4,-2.2 4,-1.5 -5,-0.2 -31,-0.5 0.905 111.2 45.6 -63.1 -45.9 97.7 42.2 34.5 339 468 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.896 114.4 48.6 -64.9 -43.8 100.8 40.0 35.5 340 469 B V H X S+ 0 0 22 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.936 110.3 51.0 -61.4 -49.9 103.1 42.0 33.3 341 470 B K H X S+ 0 0 113 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.813 110.0 51.0 -56.6 -34.9 101.8 45.3 34.6 342 471 B K H X S+ 0 0 44 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.893 107.3 51.3 -73.2 -40.9 102.4 44.1 38.2 343 472 B A H X>S+ 0 0 2 -4,-2.0 5,-3.1 1,-0.2 4,-0.8 0.802 108.2 54.7 -63.5 -31.3 106.0 43.0 37.5 344 473 B L H <5S+ 0 0 131 -4,-1.7 3,-0.4 3,-0.2 -1,-0.2 0.904 105.6 51.3 -64.7 -45.5 106.5 46.5 36.0 345 474 B E H <5S+ 0 0 106 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.704 112.8 46.1 -66.0 -23.8 105.3 48.1 39.3 346 475 B H H <5S- 0 0 86 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.606 116.4-113.0 -92.9 -16.3 107.8 46.0 41.3 347 476 B G T <5 + 0 0 41 -4,-0.8 2,-0.5 -3,-0.4 -3,-0.2 0.813 50.4 173.4 86.7 35.8 110.7 46.7 39.0 348 477 B I < - 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