==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, HYDROLASE 02-OCT-04 1XMJ . COMPND 2 MOLECULE: CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.LEWIS,X.ZHAO,C.WANG,J.M.SAUDER,I.ROONEY,B.W.NOLAND, . 246 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.8 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 . 1 0.4 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 . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 3 1 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 1 391 A E 0 0 122 0, 0.0 2,-0.4 0, 0.0 60,-0.4 0.000 360.0 360.0 360.0 140.0 51.5 20.4 27.4 2 392 A V E -A 24 0A 1 22,-2.0 22,-2.9 58,-0.1 2,-0.5 -0.990 360.0-169.9-128.2 126.3 49.8 23.1 29.5 3 393 A V E -AB 23 59A 11 56,-1.3 56,-1.5 -2,-0.4 2,-0.5 -0.957 6.2-176.5-118.8 130.0 47.5 25.7 28.1 4 394 A M E -AB 22 58A 2 18,-2.9 18,-1.8 -2,-0.5 2,-0.5 -0.989 6.7-179.9-123.4 120.3 46.2 28.8 29.8 5 395 A E E - B 0 57A 126 52,-1.3 52,-1.4 -2,-0.5 16,-0.2 -0.957 67.0 -35.8-128.1 115.2 43.7 31.0 28.0 6 396 A N E S+ 0 0 90 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 0.856 84.9 177.8 43.8 50.2 42.3 34.2 29.5 7 397 A V E +A 20 0A 0 13,-2.3 13,-2.9 49,-0.1 2,-0.3 -0.638 12.3 171.3 -90.3 137.8 42.1 32.6 32.9 8 398 A T E + B 0 55A 25 47,-2.4 46,-1.6 -2,-0.3 47,-1.5 -0.976 5.2 164.9-140.2 153.2 41.0 34.4 36.1 9 399 A A E -A 17 0A 0 8,-2.5 8,-2.0 -2,-0.3 7,-0.6 -0.987 19.7-158.1-167.1 151.2 40.3 33.1 39.6 10 400 A F - 0 0 111 42,-0.5 42,-0.1 -2,-0.3 -2,-0.0 -0.992 27.5-111.4-138.4 150.4 39.7 34.0 43.3 11 401 A W 0 0 122 -2,-0.3 40,-0.1 40,-0.1 31,-0.0 -0.090 360.0 360.0 -75.2 172.2 40.1 32.0 46.5 12 402 A E 0 0 150 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.448 360.0 360.0 59.7 360.0 37.4 30.7 48.9 13 ! 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 14 438 A T 0 0 185 0, 0.0 2,-0.3 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 128.4 40.1 41.2 44.2 15 439 A P - 0 0 29 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.672 360.0-134.5 -88.1 144.0 40.9 38.0 42.3 16 440 A V S S+ 0 0 30 -7,-0.6 2,-0.3 -2,-0.3 -6,-0.2 0.834 93.1 23.0 -68.8 -34.1 44.2 36.1 43.1 17 441 A L E S-A 9 0A 0 -8,-2.0 -8,-2.5 25,-0.1 2,-0.4 -0.979 72.9-170.5-134.5 149.3 44.9 35.6 39.4 18 442 A K E -c 198 0B 103 179,-2.4 181,-0.5 -2,-0.3 -10,-0.2 -0.972 59.8 -15.7-149.5 121.7 43.7 37.6 36.4 19 443 A D E S- 0 0 86 -2,-0.4 2,-0.3 1,-0.2 -13,-0.2 0.811 73.0-177.7 61.1 35.4 43.8 37.3 32.6 20 444 A I E +A 7 0A 1 -13,-2.9 -13,-2.3 -15,-0.1 2,-0.4 -0.509 4.9 174.4 -72.9 127.3 46.5 34.6 32.6 21 445 A N E + 0 0 72 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.931 16.2 121.6-138.5 114.0 47.6 33.5 29.1 22 446 A F E -A 4 0A 9 -18,-1.8 -18,-2.9 -2,-0.4 2,-0.4 -0.979 36.8-149.0-164.8 156.5 50.4 31.2 28.2 23 447 A K E -A 3 0A 111 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.986 10.6-165.3-132.4 122.2 51.2 27.9 26.4 24 448 A I E -A 2 0A 0 -22,-2.9 -22,-2.0 -2,-0.4 3,-0.1 -0.938 15.3-142.9-113.6 125.6 54.0 25.6 27.5 25 449 A E > - 0 0 80 -2,-0.5 3,-1.5 -24,-0.2 2,-0.1 -0.190 38.5 -67.8 -80.3 171.2 55.1 22.9 25.1 26 450 A R T 3 S+ 0 0 79 1,-0.3 -1,-0.2 148,-0.1 147,-0.1 -0.368 118.5 7.1 -64.2 130.5 56.2 19.4 25.9 27 451 A G T 3 S+ 0 0 19 1,-0.3 2,-0.3 145,-0.2 146,-0.3 0.718 98.7 136.0 74.0 19.9 59.5 19.1 27.8 28 452 A Q < - 0 0 41 -3,-1.5 147,-2.1 144,-0.1 2,-0.6 -0.696 51.5-130.1 -99.2 156.3 59.7 22.9 28.2 29 453 A L E -d 175 0B 2 -2,-0.3 161,-1.7 145,-0.2 160,-1.5 -0.924 15.4-166.7-108.4 111.1 60.7 24.8 31.3 30 454 A L E -de 176 190B 0 145,-2.3 147,-2.6 -2,-0.6 2,-0.6 -0.870 7.3-160.6 -90.1 107.7 58.5 27.7 32.5 31 455 A A E -de 177 191B 0 159,-2.1 161,-2.2 -2,-0.7 2,-0.5 -0.815 8.0-161.2 -85.7 119.0 60.3 29.8 35.1 32 456 A V E +de 178 192B 0 145,-3.0 147,-2.3 -2,-0.6 2,-0.3 -0.891 17.3 164.0-101.4 123.4 57.7 31.9 37.1 33 457 A A E + e 0 193B 1 159,-2.6 161,-2.3 -2,-0.5 2,-0.3 -0.933 10.0 122.1-128.9 155.2 58.9 34.9 39.1 34 458 A G E - e 0 194B 0 -2,-0.3 161,-0.2 159,-0.2 202,-0.2 -0.946 53.7 -46.3 172.9-172.9 57.1 37.9 40.7 35 459 A S > - 0 0 3 159,-1.4 3,-1.8 -2,-0.3 5,-0.3 -0.117 69.1 -80.0 -71.1 161.5 56.3 39.9 43.7 36 460 A T T 3 S+ 0 0 105 196,-0.4 -1,-0.2 1,-0.3 160,-0.1 -0.385 119.6 13.9 -63.6 132.4 55.3 38.5 47.1 37 461 A G T 3 S+ 0 0 74 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.606 88.5 131.8 79.2 13.4 51.6 37.6 47.1 38 462 A A S < S- 0 0 1 -3,-1.8 159,-1.6 158,-0.1 157,-0.3 0.612 82.7 -96.2 -78.2 -12.5 51.5 37.9 43.3 39 463 A G S > S+ 0 0 5 -4,-0.2 4,-2.6 157,-0.1 5,-0.1 0.584 81.5 131.8 106.6 13.8 49.7 34.6 42.7 40 464 A K H > S+ 0 0 29 -5,-0.3 4,-1.3 2,-0.2 5,-0.1 0.962 80.5 35.5 -68.8 -53.6 52.7 32.3 42.0 41 465 A T H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 116.0 58.1 -63.5 -39.2 51.9 29.4 44.3 42 466 A S H > S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.910 99.8 57.1 -60.5 -40.7 48.2 30.0 43.4 43 467 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.927 110.6 44.4 -51.3 -46.2 49.0 29.5 39.8 44 468 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.928 109.1 55.2 -64.6 -47.7 50.4 26.1 40.8 45 469 A M H <>S+ 0 0 49 -4,-2.9 5,-2.4 1,-0.2 6,-0.7 0.821 107.4 53.1 -48.7 -35.6 47.4 25.3 43.0 46 470 A M H ><5S+ 0 0 4 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.892 105.3 50.0 -76.2 -41.8 45.2 26.0 40.0 47 471 A I H 3<5S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.2 51.0 -60.4 -31.2 47.0 23.6 37.7 48 472 A M T 3<5S- 0 0 69 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.522 116.2-119.5 -84.7 -7.5 46.6 21.1 40.6 49 473 A G T < 5S+ 0 0 58 -3,-0.9 -3,-0.2 -4,-0.3 3,-0.1 0.611 81.4 119.5 80.6 13.2 42.9 21.9 40.8 50 474 A E S -I 115 0C 17 -2,-0.3 4,-2.0 38,-0.2 38,-0.2 -0.195 51.4-111.6 -77.0 170.5 64.4 6.2 56.0 78 502 A I H > S+ 0 0 4 36,-0.8 4,-0.9 34,-0.3 5,-0.2 0.932 121.0 50.7 -63.0 -46.4 65.8 8.6 53.4 79 503 A K H >> S+ 0 0 49 33,-2.3 4,-2.4 1,-0.2 3,-0.9 0.928 110.8 49.2 -56.6 -45.2 65.2 6.1 50.7 80 504 A E H 3> S+ 0 0 96 32,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.874 104.8 57.2 -64.1 -41.0 61.6 5.7 51.8 81 505 A N H 3< S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.740 117.6 35.4 -60.3 -23.2 60.9 9.4 51.9 82 506 A I H << S+ 0 0 3 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.783 125.7 35.7 -99.6 -33.7 62.0 9.6 48.3 83 507 A I H >< S- 0 0 21 -4,-2.4 3,-1.1 1,-0.3 2,-1.1 0.758 75.7-168.5 -95.2 -27.5 60.6 6.3 46.9 84 509 A G T 3< S- 0 0 46 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.647 70.2 -41.7 61.9-100.6 57.4 5.8 48.8 85 510 A V T 3 S+ 0 0 145 -2,-1.1 2,-0.7 1,-0.1 -1,-0.2 0.479 121.0 84.3-137.4 -15.8 56.6 2.3 47.9 86 511 A S < - 0 0 91 -3,-1.1 2,-0.6 2,-0.0 -1,-0.1 -0.861 64.7-165.2 -94.4 111.1 57.4 2.0 44.2 87 512 A Y + 0 0 112 -2,-0.7 2,-0.4 -3,-0.1 -4,-0.0 -0.862 21.6 168.6-109.1 119.1 61.2 1.3 43.8 88 513 A D > - 0 0 79 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.983 20.7-155.6-120.3 123.0 63.3 1.6 40.7 89 514 A E H > S+ 0 0 116 -2,-0.4 4,-2.1 2,-0.2 5,-0.1 0.867 91.7 44.8 -63.0 -44.2 67.1 1.3 41.3 90 515 A Y H > S+ 0 0 177 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 115.5 46.7 -71.9 -44.3 68.3 3.2 38.2 91 516 A R H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 112.3 51.5 -56.8 -50.3 65.7 6.0 38.6 92 517 A Y H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.935 109.2 49.8 -53.2 -51.4 66.5 6.4 42.3 93 518 A R H X S+ 0 0 118 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.893 110.0 49.4 -58.4 -45.9 70.2 6.7 41.7 94 519 A S H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.900 111.6 50.6 -65.4 -37.8 69.9 9.3 39.0 95 520 A V H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 111.6 44.8 -65.7 -43.7 67.6 11.4 41.2 96 521 A I H <>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 6,-0.7 0.865 114.4 51.9 -73.4 -29.0 69.8 11.3 44.3 97 522 A K H ><5S+ 0 0 105 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.960 112.6 42.3 -62.2 -54.3 72.8 12.1 42.1 98 523 A A H 3<5S+ 0 0 7 -4,-2.5 67,-0.5 1,-0.3 66,-0.2 0.800 113.1 53.3 -68.1 -30.3 71.2 15.1 40.4 99 524 A C T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.344 113.5-120.8 -87.5 7.7 69.7 16.4 43.7 100 525 A Q T < 5S+ 0 0 62 -3,-1.5 4,-0.3 60,-0.1 -3,-0.2 0.887 73.4 127.5 61.4 45.4 73.2 16.3 45.2 101 526 A L >< + 0 0 1 -5,-2.8 4,-3.0 2,-0.1 5,-0.2 0.529 43.2 88.2-104.5 -13.9 72.4 13.9 48.0 102 527 A E H > S+ 0 0 57 -6,-0.7 4,-2.0 1,-0.2 5,-0.1 0.880 91.6 46.4 -59.4 -41.8 75.1 11.2 47.5 103 528 A E H > S+ 0 0 144 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 113.4 48.9 -63.7 -47.7 77.6 13.0 49.7 104 529 A D H 4 S+ 0 0 33 -4,-0.3 3,-0.4 1,-0.2 -2,-0.2 0.923 113.7 47.8 -55.9 -46.2 75.0 13.6 52.5 105 530 A I H >< S+ 0 0 11 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.862 106.8 55.2 -66.1 -37.0 74.0 9.9 52.3 106 531 A S H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 94.7 69.5 -72.9 -22.3 77.6 8.6 52.4 107 532 A K T 3< S+ 0 0 133 -4,-1.3 2,-0.4 -3,-0.4 -1,-0.3 0.497 90.0 77.8 -70.4 -5.3 78.3 10.5 55.6 108 533 A F S X S- 0 0 36 -3,-1.4 3,-1.4 1,-0.1 5,-0.1 -0.901 76.8-138.3-110.5 139.9 75.9 8.2 57.5 109 534 A A T 3 S+ 0 0 97 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.902 111.1 42.1 -57.8 -42.6 76.8 4.6 58.6 110 535 A E T > S- 0 0 123 1,-0.3 3,-2.6 -3,-0.1 -1,-0.3 0.398 98.7-159.7 -85.8 5.0 73.3 3.4 57.5 111 536 A K G X - 0 0 127 -3,-1.4 3,-1.2 1,-0.3 -1,-0.3 -0.240 69.5 -9.5 49.6-127.7 73.7 5.5 54.4 112 537 A D G 3 S+ 0 0 21 1,-0.3 -33,-2.3 -3,-0.1 -34,-0.3 0.360 129.2 72.9 -84.8 11.2 70.2 6.1 52.8 113 538 A N G < + 0 0 85 -3,-2.6 -1,-0.3 -35,-0.2 -2,-0.2 0.283 67.5 125.3 -97.5 10.8 68.7 3.5 55.2 114 539 A I < - 0 0 19 -3,-1.2 -36,-0.8 -9,-0.1 2,-0.3 -0.486 62.8-122.8 -69.2 137.4 69.1 6.0 58.2 115 540 A V E -I 77 0C 87 -2,-0.2 6,-0.8 -38,-0.2 2,-0.3 -0.619 25.6-162.0 -90.6 139.5 65.8 6.5 59.9 116 541 A L E +I 76 0C 8 -40,-2.5 -40,-1.8 -2,-0.3 2,-0.4 -0.860 43.4 54.6-121.4 151.3 64.3 10.0 60.3 117 542 A G S > S- 0 0 46 -2,-0.3 3,-0.9 -42,-0.2 5,-0.2 -0.977 106.7 -13.4 131.9-146.6 61.7 11.4 62.6 118 543 A E T 3 S+ 0 0 205 -2,-0.4 2,-0.9 1,-0.3 -1,-0.2 0.917 145.3 38.3 -66.0 -44.0 61.2 11.4 66.4 119 544 A G T 3 S+ 0 0 73 -3,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.590 106.8 125.7 -94.5 68.4 63.9 8.8 66.7 120 545 A G S < S- 0 0 24 -3,-0.9 -4,-0.2 -2,-0.9 -6,-0.0 -0.865 74.0-115.3-134.9 164.8 65.8 10.5 64.0 121 546 A I - 0 0 85 -6,-0.8 -5,-0.1 -2,-0.3 -3,-0.1 0.593 53.8-118.7 -76.6 -13.6 69.2 12.0 63.2 122 547 A T - 0 0 131 -5,-0.2 2,-0.2 1,-0.1 -4,-0.0 0.920 30.8-141.1 71.6 98.9 67.9 15.6 62.8 123 548 A L - 0 0 21 1,-0.1 -1,-0.1 2,-0.0 5,-0.0 -0.589 13.3-107.8 -99.0 146.7 68.6 16.9 59.3 124 549 A S > - 0 0 65 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.230 32.1-111.7 -64.7 160.4 69.7 20.3 58.1 125 550 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 27,-0.3 0.868 120.4 54.3 -58.5 -36.3 67.2 22.5 56.3 126 551 A G H > S+ 0 0 11 26,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.930 107.1 49.0 -66.7 -44.1 69.3 22.1 53.1 127 552 A Q H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 111.3 49.5 -60.3 -41.6 69.2 18.3 53.4 128 553 A Q H X S+ 0 0 49 -4,-2.1 4,-2.5 1,-0.2 -56,-0.3 0.876 108.9 52.4 -68.9 -39.2 65.4 18.3 53.9 129 554 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.905 110.0 49.4 -61.6 -40.4 64.9 20.6 50.9 130 555 A K H X S+ 0 0 21 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.915 112.3 46.8 -68.7 -42.3 67.0 18.2 48.7 131 556 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.889 111.1 52.3 -61.4 -43.3 65.0 15.1 49.9 132 557 A S H X S+ 0 0 7 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.902 113.7 43.2 -62.1 -41.2 61.7 16.9 49.3 133 558 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.908 111.4 55.0 -70.2 -40.6 62.8 17.8 45.8 134 559 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 107.3 50.7 -55.8 -46.5 64.1 14.3 45.3 135 560 A R H X S+ 0 0 31 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.886 112.3 46.7 -56.5 -42.9 60.7 12.9 46.3 136 561 A A H < S+ 0 0 5 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.3 44.5 -71.5 -40.7 59.0 15.2 43.8 137 562 A V H < S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 110.2 55.8 -75.0 -30.1 61.4 14.4 40.9 138 563 A Y H < S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.873 85.8 92.9 -69.0 -37.4 61.3 10.7 41.6 139 564 A K S < S- 0 0 100 -4,-1.6 2,-0.6 -5,-0.2 -74,-0.1 -0.379 86.6-121.5 -55.6 130.4 57.5 10.5 41.3 140 565 A D + 0 0 90 -2,-0.1 2,-0.3 -76,-0.1 -1,-0.1 -0.669 53.1 149.9 -80.5 121.1 56.7 9.6 37.7 141 566 A A - 0 0 4 -2,-0.6 -77,-0.2 -4,-0.2 3,-0.1 -0.952 55.6-133.3-153.7 161.7 54.6 12.4 36.4 142 567 A D S S+ 0 0 104 -79,-2.5 32,-1.0 -2,-0.3 2,-0.5 0.833 97.1 35.5 -88.3 -37.0 53.6 14.4 33.3 143 568 A L E -fg 64 174B 3 -80,-2.2 -78,-3.1 30,-0.1 2,-0.6 -0.967 66.3-158.5-127.9 125.6 53.9 17.8 35.0 144 569 A Y E -fg 65 175B 2 30,-2.7 32,-2.9 -2,-0.5 2,-0.6 -0.900 4.8-168.4-104.4 122.6 56.4 18.9 37.6 145 570 A L E -fg 66 176B 0 -80,-3.1 -78,-2.7 -2,-0.6 2,-0.7 -0.931 7.2-175.2-112.4 105.9 55.4 21.9 39.6 146 571 A L E -fg 67 177B 0 30,-3.1 32,-2.8 -2,-0.6 2,-0.9 -0.885 6.3-165.2-111.0 103.5 58.5 23.1 41.6 147 572 A D E - g 0 178B 3 -80,-2.7 32,-0.1 -2,-0.7 30,-0.1 -0.785 68.0 -48.2 -97.9 101.6 57.7 25.9 44.0 148 573 A S S > S+ 0 0 38 30,-1.5 3,-0.7 -2,-0.9 -1,-0.2 0.913 74.1 171.2 35.2 71.2 60.9 27.6 45.1 149 574 A P T 3 + 0 0 7 0, 0.0 3,-0.2 0, 0.0 -16,-0.2 0.515 61.8 68.3 -83.4 -7.1 62.7 24.3 46.0 150 575 A F T > + 0 0 12 1,-0.2 3,-2.0 2,-0.1 8,-0.1 0.277 62.1 132.7-100.5 12.2 66.2 25.7 46.6 151 576 A G T < S+ 0 0 55 -3,-0.7 -1,-0.2 1,-0.3 77,-0.2 0.719 76.3 21.9 -32.8 -60.5 65.3 27.6 49.8 152 577 A Y T 3 S+ 0 0 163 -27,-0.3 -1,-0.3 -3,-0.2 -26,-0.3 0.157 96.5 112.6-106.2 21.6 68.0 26.7 52.2 153 578 A L < - 0 0 24 -3,-2.0 2,-0.1 -28,-0.1 -3,-0.0 -0.639 66.9-115.7 -90.8 149.0 70.8 25.7 49.8 154 579 A D > - 0 0 99 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.352 38.5 -96.4 -75.9 167.2 74.0 27.6 49.3 155 580 A V H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.834 121.0 47.0 -57.7 -40.2 74.7 29.1 45.9 156 581 A L H > S+ 0 0 103 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.926 114.0 46.8 -69.7 -45.7 76.9 26.3 44.6 157 582 A T H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 112.6 49.1 -63.0 -45.7 74.5 23.5 45.6 158 583 A E H X S+ 0 0 16 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.927 113.4 49.7 -58.9 -43.9 71.5 25.4 44.2 159 584 A K H X S+ 0 0 84 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.949 109.6 48.1 -60.0 -55.3 73.4 25.9 41.0 160 585 A E H X S+ 0 0 69 -4,-3.1 4,-2.3 1,-0.2 5,-0.4 0.817 114.7 47.7 -58.7 -30.2 74.5 22.2 40.6 161 586 A I H X>S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 5,-1.4 0.908 109.6 50.4 -78.1 -41.9 70.9 21.1 41.3 162 587 A F H <>S+ 0 0 0 -4,-2.6 5,-1.9 3,-0.2 -2,-0.2 0.913 119.2 39.7 -60.1 -41.4 69.3 23.5 38.8 163 588 A E H <>S+ 0 0 66 -4,-2.4 5,-2.1 -5,-0.2 -2,-0.2 0.966 124.5 33.4 -73.1 -52.7 71.7 22.4 36.2 164 589 A S H <>S+ 0 0 44 -4,-2.3 5,-3.3 -5,-0.2 -3,-0.2 0.888 133.2 24.4 -76.6 -40.9 71.9 18.6 36.8 165 590 A C I <>S+ 0 0 0 -4,-2.0 5,-2.5 -67,-0.5 -3,-0.2 0.942 128.4 32.5 -85.1 -74.0 68.4 18.1 37.9 166 591 A V I - 0 0 12 1,-0.1 4,-1.3 2,-0.0 3,-0.5 -0.813 57.4-155.6 -94.4 121.1 67.0 33.7 40.6 182 607 A M H > S+ 0 0 7 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.878 93.6 61.6 -63.6 -38.9 67.7 35.6 37.4 183 608 A E H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.866 103.0 52.0 -53.9 -38.0 70.1 32.9 36.2 184 609 A H H > S+ 0 0 2 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.877 109.9 47.9 -67.9 -38.4 67.2 30.5 36.3 185 610 A L H < S+ 0 0 1 -4,-1.3 3,-0.5 1,-0.2 20,-0.4 0.918 108.2 55.5 -63.1 -45.5 65.1 32.9 34.1 186 611 A K H < S+ 0 0 113 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 113.4 42.2 -55.9 -31.4 68.0 33.3 31.7 187 612 A K H < S+ 0 0 108 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.669 93.1 99.8 -94.6 -18.7 68.1 29.5 31.3 188 613 A A S < S- 0 0 15 -4,-1.2 17,-0.3 -3,-0.5 -158,-0.1 -0.191 73.9-129.0 -69.0 160.6 64.3 28.8 31.0 189 614 A D S S+ 0 0 69 -160,-1.5 2,-0.3 1,-0.3 -159,-0.2 0.920 94.0 2.5 -74.8 -45.0 62.5 28.2 27.7 190 615 A K E S-e 30 0B 62 -161,-1.7 -159,-2.1 14,-0.1 2,-0.3 -0.982 70.4-150.5-135.4 152.2 59.9 30.8 28.7 191 616 A I E -eH 31 203B 1 12,-3.2 12,-1.6 -2,-0.3 2,-0.4 -0.885 1.4-158.0-117.0 155.3 59.5 33.1 31.7 192 617 A L E -eH 32 202B 2 -161,-2.2 -159,-2.6 -2,-0.3 2,-0.6 -0.990 4.9-158.8-131.5 123.9 56.3 34.5 33.4 193 618 A I E -eH 33 201B 5 8,-2.7 7,-3.0 -2,-0.4 8,-1.0 -0.915 14.3-167.6-106.1 120.1 56.4 37.6 35.6 194 619 A L E +eH 34 199B 0 -161,-2.3 -159,-1.4 -2,-0.6 2,-0.2 -0.784 15.4 165.9-107.3 146.6 53.5 38.0 38.0 195 620 A H E > S- H 0 198B 9 3,-1.9 3,-1.6 -2,-0.3 -157,-0.1 -0.818 73.4 -13.5-159.3 123.4 52.3 41.0 40.1 196 621 A E T 3 S- 0 0 136 1,-0.3 -158,-0.1 -2,-0.2 -157,-0.1 0.943 129.1 -50.6 48.2 52.1 48.9 41.4 41.9 197 622 A G T 3 S+ 0 0 1 -159,-1.6 -179,-2.4 1,-0.2 2,-0.3 0.131 117.0 98.9 84.2 -21.1 47.4 38.5 39.9 198 623 A S E < S-cH 18 195B 26 -3,-1.6 -3,-1.9 -181,-0.2 2,-0.5 -0.680 72.6-114.6-111.3 158.0 48.4 39.6 36.4 199 624 A S E + H 0 194B 43 -181,-0.5 -5,-0.2 -2,-0.3 3,-0.1 -0.734 26.6 175.3 -84.3 125.2 51.1 38.8 33.9 200 625 A Y E S+ 0 0 85 -7,-3.0 2,-0.3 -2,-0.5 -1,-0.1 0.555 74.2 17.4-106.1 -15.6 53.4 41.7 33.2 201 626 A F E + H 0 193B 15 -8,-1.0 -8,-2.7 2,-0.0 -1,-0.4 -0.926 55.7 170.9-153.4 137.8 55.7 39.6 31.0 202 627 A Y E + H 0 192B 70 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.970 51.5 57.3-139.8 129.6 55.5 36.3 29.1 203 628 A G E S- H 0 191B 4 -12,-1.6 -12,-3.2 -2,-0.3 2,-0.3 -0.992 88.8 -26.2 151.9-151.4 58.2 35.3 26.7 204 629 A T > - 0 0 50 -2,-0.3 4,-2.7 -14,-0.2 5,-0.2 -0.685 48.2-120.6 -99.6 156.6 62.0 34.9 26.8 205 630 A F H > S+ 0 0 12 -20,-0.4 4,-2.1 -17,-0.3 5,-0.2 0.904 118.1 50.3 -55.3 -44.2 64.5 36.5 29.1 206 631 A S H > S+ 0 0 94 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.926 111.1 50.7 -62.6 -38.6 66.3 38.0 26.1 207 632 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.900 108.2 51.2 -63.9 -41.3 62.9 39.2 24.9 208 633 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 8,-0.3 0.892 105.6 56.1 -63.2 -39.8 62.2 40.8 28.4 209 634 A Q H < S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 112.6 42.4 -62.9 -29.5 65.5 42.6 28.4 210 635 A N H < S+ 0 0 140 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.830 118.7 41.3 -88.3 -35.4 64.6 44.2 25.1 211 636 A L H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.749 130.3 26.1 -86.8 -28.7 61.0 45.1 25.7 212 637 A Q S X S+ 0 0 64 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 -0.528 70.7 159.9-133.0 67.0 61.5 46.3 29.3 213 638 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.822 76.7 48.3 -62.8 -32.9 65.2 47.5 29.4 214 639 A D H > S+ 0 0 96 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.902 112.3 49.0 -75.4 -38.0 64.7 49.7 32.5 215 640 A F H > S+ 0 0 14 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.913 115.5 44.2 -61.3 -44.1 62.9 46.9 34.4 216 641 A S H >< S+ 0 0 0 -4,-2.6 3,-0.7 -8,-0.3 -2,-0.2 0.891 106.2 61.7 -66.3 -40.2 65.7 44.5 33.4 217 642 A S H >< S+ 0 0 74 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.783 101.1 54.1 -58.2 -31.2 68.3 47.1 34.3 218 643 A K H 3< S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.829 106.8 50.8 -70.8 -33.3 67.1 47.0 37.9 219 644 A L T << 0 0 4 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.023 360.0 360.0 -98.0 27.0 67.5 43.3 38.2 220 645 A M < 0 0 85 -3,-0.8 -1,-0.1 3,-0.1 -4,-0.0 -0.757 360.0 360.0-153.0 360.0 71.1 43.1 36.9 221 ! 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 0.0 222 649 A S > 0 0 105 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 24.6 75.0 41.1 41.3 223 650 A F G > + 0 0 10 1,-0.3 3,-1.9 2,-0.2 -3,-0.1 0.881 360.0 57.8 -52.3 -43.8 71.2 40.7 42.0 224 651 A D G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -5,-0.1 7,-0.1 0.675 95.6 65.9 -68.7 -13.6 71.5 36.9 42.2 225 652 A Q G < S+ 0 0 158 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.561 84.8 93.2 -84.2 -7.7 74.1 37.3 45.0 226 653 A F S < S- 0 0 95 -3,-1.9 -3,-0.0 -4,-0.3 0, 0.0 -0.449 87.6 -96.0 -76.7 159.0 71.4 38.7 47.3 227 654 A S > - 0 0 72 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.183 36.1-102.8 -66.4 166.6 69.5 36.5 49.6 228 655 A A H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 123.0 50.3 -57.6 -43.0 66.1 35.1 48.8 229 656 A E H > S+ 0 0 161 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 112.2 45.0 -63.2 -44.8 64.5 37.7 51.0 230 657 A R H > S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.879 111.8 52.5 -71.2 -37.9 66.3 40.6 49.5 231 658 A R H X S+ 0 0 18 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.926 111.2 47.0 -63.0 -43.6 65.7 39.4 45.9 232 659 A N H X S+ 0 0 49 -4,-2.3 4,-2.2 -5,-0.2 -196,-0.4 0.844 112.0 51.4 -68.4 -31.3 62.0 39.2 46.6 233 660 A S H X S+ 0 0 52 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.921 112.2 45.5 -68.7 -43.4 62.0 42.6 48.2 234 661 A I H X S+ 0 0 23 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.925 113.3 50.1 -64.0 -45.2 63.8 44.1 45.1 235 662 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -200,-0.2 0.950 111.8 48.7 -55.8 -50.3 61.4 42.3 42.7 236 663 A T H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.912 111.4 48.4 -59.4 -46.9 58.4 43.6 44.6 237 664 A E H X S+ 0 0 88 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.866 113.5 46.5 -61.4 -43.0 59.6 47.2 44.7 238 665 A T H >< S+ 0 0 11 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.923 112.9 49.8 -67.4 -39.9 60.5 47.3 41.0 239 666 A L H >< S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.890 101.4 63.0 -67.4 -37.3 57.1 45.7 40.2 240 667 A R H 3< S+ 0 0 143 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.726 86.3 75.0 -58.4 -21.3 55.3 48.2 42.3 241 668 A R T << S+ 0 0 130 -3,-1.1 2,-1.9 -4,-0.6 -1,-0.3 0.681 70.6 94.8 -66.9 -13.6 56.6 50.9 40.0 242 669 A F S < S+ 0 0 65 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 -0.525 72.7 74.8 -78.3 79.7 54.0 49.6 37.5 243 670 A S S S- 0 0 57 -2,-1.9 -2,-0.0 2,-0.2 -3,-0.0 -0.898 92.5 -96.3-165.0-174.2 51.3 52.2 38.4 244 671 A L S S+ 0 0 171 -2,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.338 88.0 103.7 -98.4 3.9 50.3 55.8 38.0 245 672 A E S S- 0 0 150 1,-0.1 2,-0.5 -4,-0.0 -2,-0.2 -0.228 76.1-107.5 -87.8 171.7 51.8 56.7 41.4 246 673 A G - 0 0 76 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.895 40.2-130.2-102.9 125.9 54.9 58.5 42.5 247 674 A D 0 0 88 -2,-0.5 -6,-0.0 -6,-0.1 -1,-0.0 -0.234 360.0 360.0 -85.0 161.0 57.5 56.2 44.1 248 675 A A 0 0 153 -2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.566 360.0 360.0 67.6 360.0 59.5 56.4 47.3