==== 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 TRANSPORT PROTEIN 10-SEP-04 1XEF . COMPND 2 MOLECULE: ALPHA-HEMOLYSIN TRANSLOCATION ATP-BINDING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ZAITSEVA,S.JENEWEIN,I.B.HOLLAND,L.SCHMITT . 964 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 11.2 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 . 10 1.0 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 . 1 0.1 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 . 75 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 4 7 10 4 1 4 3 3 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 9 7 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 . 4 4 0 0 12 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 . 0 0 4 0 4 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 1 467 A D 0 0 73 0, 0.0 62,-3.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -26.1 4.8 -10.3 -23.3 2 468 A I E -AB 26 62A 2 24,-1.4 24,-3.1 60,-0.2 2,-0.4 -0.982 360.0-173.1-128.8 124.3 2.7 -7.5 -21.8 3 469 A T E -AB 25 61A 36 58,-3.1 58,-2.6 -2,-0.4 2,-0.5 -0.960 21.9-167.1-128.2 131.5 2.3 -4.4 -23.8 4 470 A F E -AB 24 60A 3 20,-3.2 20,-1.9 -2,-0.4 2,-0.5 -0.977 17.9-174.1-107.3 121.7 0.8 -0.9 -23.3 5 471 A R E - B 0 59A 127 54,-2.7 54,-2.5 -2,-0.5 18,-0.2 -0.965 64.3 -32.1-124.5 115.1 0.5 0.9 -26.6 6 472 A N E S- 0 0 71 -2,-0.5 2,-0.3 52,-0.2 15,-0.2 0.819 81.3-170.6 48.3 43.9 -0.7 4.6 -26.7 7 473 A I E +A 22 0A 0 15,-2.1 15,-1.7 52,-0.2 2,-0.5 -0.484 15.0 176.6 -73.7 121.8 -3.0 4.1 -23.7 8 474 A R E + B 0 57A 100 49,-2.5 48,-1.6 -2,-0.3 49,-1.3 -0.987 11.4 174.4-122.9 120.5 -5.3 7.0 -22.8 9 475 A F E +A 19 0A 4 10,-2.4 9,-3.0 -2,-0.5 10,-2.0 -0.983 16.5 163.7-132.9 140.1 -7.7 6.4 -19.9 10 476 A R - 0 0 59 -2,-0.4 7,-0.1 7,-0.3 -2,-0.0 -0.963 35.0-130.8-140.0 154.5 -10.3 8.3 -17.9 11 477 A Y S S+ 0 0 71 5,-0.4 -1,-0.1 -2,-0.3 6,-0.1 0.924 89.0 19.0 -74.9 -47.2 -13.0 6.9 -15.6 12 478 A K S > S- 0 0 127 4,-0.2 3,-0.7 1,-0.0 -1,-0.1 -0.899 82.8-109.8-119.4 153.6 -16.0 8.8 -16.9 13 479 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.633 127.4 42.7 -51.0 -14.8 -16.6 10.6 -20.2 14 480 A D T 3 S+ 0 0 118 2,-0.1 -3,-0.0 -4,-0.0 0, 0.0 0.656 94.1 106.2-101.1 -25.8 -16.5 13.7 -18.0 15 481 A S S < S- 0 0 12 -3,-0.7 3,-0.1 1,-0.1 2,-0.0 -0.139 77.4-105.6 -54.8 145.0 -13.5 12.6 -15.8 16 482 A P - 0 0 90 0, 0.0 -5,-0.4 0, 0.0 2,-0.2 -0.345 52.3 -78.7 -64.4 156.3 -10.0 14.2 -16.3 17 483 A V + 0 0 47 1,-0.2 -7,-0.3 -7,-0.1 3,-0.2 -0.415 48.8 178.0 -61.0 122.2 -7.4 12.1 -18.1 18 484 A I S S+ 0 0 44 -9,-3.0 2,-0.5 1,-0.3 -8,-0.2 0.877 72.6 32.7 -94.5 -50.9 -6.0 9.5 -15.7 19 485 A L E S-A 9 0A 0 -10,-2.0 -10,-2.4 25,-0.1 2,-0.6 -0.956 77.1-161.0-109.8 122.3 -3.5 7.6 -17.9 20 486 A D E - 0 0 58 193,-2.4 195,-0.3 -2,-0.5 -12,-0.2 -0.899 60.0 -43.4-112.8 109.6 -1.9 9.8 -20.6 21 487 A N E S- 0 0 82 -2,-0.6 2,-0.4 -15,-0.2 -13,-0.2 0.868 76.6-176.4 40.2 60.7 -0.3 8.2 -23.7 22 488 A I E -A 7 0A 4 -15,-1.7 -15,-2.1 -17,-0.1 2,-0.4 -0.739 11.2-174.8 -91.8 133.7 1.5 5.4 -21.8 23 489 A N E + 0 0 79 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.999 15.9 153.1-127.0 128.9 3.7 3.0 -23.6 24 490 A L E -A 4 0A 21 -20,-1.9 -20,-3.2 -2,-0.4 2,-0.5 -0.971 28.2-159.8-159.4 135.2 5.3 0.0 -21.9 25 491 A S E -A 3 0A 71 -2,-0.3 2,-0.6 -22,-0.2 -22,-0.2 -0.979 10.4-174.7-120.4 118.0 6.6 -3.5 -22.6 26 492 A I E -A 2 0A 3 -24,-3.1 -24,-1.4 -2,-0.5 2,-0.2 -0.944 15.1-151.3-111.1 111.0 6.9 -5.9 -19.7 27 493 A K > - 0 0 130 -2,-0.6 3,-1.5 -26,-0.2 -2,-0.0 -0.592 31.2 -87.5 -88.1 147.6 8.6 -9.2 -20.7 28 494 A Q T 3 S+ 0 0 94 1,-0.2 162,-0.2 -2,-0.2 -1,-0.1 -0.199 112.5 29.7 -54.3 131.1 7.8 -12.5 -19.0 29 495 A G T 3 S+ 0 0 31 1,-0.3 2,-0.3 160,-0.2 -1,-0.2 0.366 90.2 130.8 99.6 -1.9 10.0 -13.2 -16.0 30 496 A E < - 0 0 30 -3,-1.5 161,-2.1 174,-0.0 2,-0.7 -0.656 52.2-144.5 -90.4 138.7 10.5 -9.5 -15.0 31 497 A V E -d 191 0B 15 -2,-0.3 174,-1.6 159,-0.2 175,-1.3 -0.914 25.4-168.3 -93.6 112.1 10.1 -7.9 -11.6 32 498 A I E -de 192 206B 1 159,-2.8 161,-3.2 -2,-0.7 2,-0.4 -0.907 7.3-156.3-105.8 129.5 8.6 -4.5 -12.3 33 499 A G E -de 193 207B 0 173,-2.4 175,-3.5 -2,-0.5 2,-0.5 -0.861 3.5-161.9-100.0 138.8 8.4 -1.9 -9.6 34 500 A I E +de 194 208B 7 159,-3.0 161,-1.9 -2,-0.4 2,-0.2 -0.976 18.3 165.6-122.9 118.0 5.9 1.0 -9.8 35 501 A V E + e 0 209B 0 173,-2.8 175,-2.9 -2,-0.5 2,-0.2 -0.772 10.7 114.0-123.5 169.9 6.5 4.1 -7.7 36 502 A G E - e 0 210B 5 159,-0.4 175,-0.2 -2,-0.2 3,-0.1 -0.745 60.8 -46.9 147.7 166.1 5.1 7.6 -7.6 37 503 A R S > S- 0 0 28 173,-0.6 3,-1.7 -2,-0.2 2,-0.4 -0.083 71.4 -82.4 -55.6 156.3 3.0 10.1 -5.6 38 504 A S T 3 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.1 374,-0.1 -0.522 120.2 20.1 -61.8 118.5 -0.3 9.2 -4.1 39 505 A G T 3 S+ 0 0 43 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.547 83.9 123.0 97.3 12.1 -2.9 9.6 -6.9 40 506 A S S < S- 0 0 5 -3,-1.7 173,-2.0 170,-0.1 171,-0.2 0.651 87.9 -94.2 -81.6 -17.7 -0.4 9.4 -9.8 41 507 A G S > S+ 0 0 7 -4,-0.2 4,-1.9 171,-0.1 5,-0.1 0.523 80.9 131.8 119.8 11.1 -2.1 6.4 -11.5 42 508 A K H > S+ 0 0 22 -5,-0.3 4,-1.0 1,-0.2 -4,-0.1 0.906 80.3 39.8 -59.6 -48.2 -0.3 3.3 -10.3 43 509 A S H > S+ 0 0 43 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.861 112.3 55.7 -70.8 -39.2 -3.4 1.3 -9.3 44 510 A T H > S+ 0 0 14 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.863 103.5 57.1 -60.7 -37.6 -5.4 2.4 -12.4 45 511 A L H >X S+ 0 0 3 -4,-1.9 4,-0.6 1,-0.2 3,-0.5 0.864 106.9 47.2 -60.6 -40.0 -2.6 1.1 -14.6 46 512 A T H 3X S+ 0 0 5 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.689 103.2 64.2 -77.1 -19.7 -2.9 -2.4 -13.0 47 513 A K H 3<>S+ 0 0 71 -4,-1.1 5,-2.0 -3,-0.3 6,-0.7 0.675 96.8 55.8 -77.0 -20.2 -6.7 -2.3 -13.5 48 514 A L H <<5S+ 0 0 3 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.729 99.5 60.6 -80.0 -25.5 -6.3 -2.2 -17.3 49 515 A I H <5S+ 0 0 4 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.750 112.6 38.6 -67.4 -25.2 -4.2 -5.4 -17.0 50 516 A Q T <5S- 0 0 43 -4,-0.5 -1,-0.2 28,-0.0 -2,-0.2 0.512 108.1-129.6-100.0 -9.4 -7.4 -7.0 -15.5 51 517 A R T 5 + 0 0 101 -4,-0.3 -3,-0.2 2,-0.1 3,-0.1 0.898 62.2 139.8 51.8 48.2 -9.8 -5.1 -17.9 52 518 A F S S-BC 2 65A 10 3,-2.2 3,-2.2 -2,-0.4 -60,-0.2 -0.992 85.0 -16.6-120.2 122.0 -0.8 -10.0 -23.2 63 529 A D T 3 S- 0 0 108 -62,-3.8 -61,-0.1 -2,-0.5 -1,-0.1 0.799 131.0 -52.5 53.7 33.0 1.3 -12.5 -25.2 64 530 A G T 3 S+ 0 0 62 1,-0.2 2,-0.6 -63,-0.2 -1,-0.3 0.436 110.8 126.6 84.7 0.7 0.2 -10.6 -28.3 65 531 A H E < -C 62 0A 95 -3,-2.2 -3,-2.2 2,-0.0 2,-0.4 -0.838 60.5-132.3 -96.1 118.2 -3.5 -10.9 -27.5 66 532 A D E > -C 61 0A 22 -2,-0.6 3,-1.2 -5,-0.2 -5,-0.2 -0.553 11.0-147.6 -65.8 120.0 -5.5 -7.6 -27.5 67 533 A L G > S+ 0 0 6 -7,-2.6 3,-0.9 -2,-0.4 -1,-0.2 0.758 94.0 67.0 -64.5 -26.3 -7.4 -7.6 -24.2 68 534 A A G 3 S+ 0 0 55 -8,-0.4 -1,-0.3 1,-0.2 -7,-0.1 0.779 115.2 28.3 -63.5 -29.2 -10.3 -5.7 -25.9 69 535 A L G < S+ 0 0 142 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.086 101.7 110.6-119.5 20.6 -11.0 -8.8 -28.1 70 536 A A S < S- 0 0 26 -3,-0.9 -3,-0.0 -5,-0.1 3,-0.0 -0.537 81.3 -86.1 -91.3 160.7 -9.7 -11.5 -25.7 71 537 A D > - 0 0 87 -2,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.513 32.8-140.7 -67.0 128.2 -11.9 -14.0 -23.8 72 538 A P H > S+ 0 0 100 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.894 99.9 44.4 -57.5 -46.7 -13.2 -12.5 -20.5 73 539 A N H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.864 108.2 57.7 -68.1 -39.9 -12.8 -15.7 -18.5 74 540 A W H > S+ 0 0 62 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.903 106.4 49.7 -55.8 -45.4 -9.3 -16.5 -19.9 75 541 A L H X S+ 0 0 10 -4,-1.7 4,-0.9 1,-0.2 3,-0.2 0.826 102.3 61.0 -65.9 -36.5 -8.0 -13.1 -18.6 76 542 A R H >< S+ 0 0 157 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.908 105.6 48.1 -55.4 -45.1 -9.4 -13.6 -15.1 77 543 A R H 3< S+ 0 0 146 -4,-1.4 82,-0.3 1,-0.2 -1,-0.2 0.775 104.1 60.8 -68.0 -30.1 -7.2 -16.6 -14.6 78 544 A Q H 3< S+ 0 0 33 -4,-1.0 82,-2.2 -3,-0.2 2,-0.5 0.753 99.2 61.5 -72.0 -26.6 -4.0 -14.9 -15.9 79 545 A V E << -f 160 0B 18 -4,-0.9 2,-0.4 -3,-0.6 82,-0.2 -0.900 55.1-177.7-115.3 127.1 -3.9 -12.2 -13.2 80 546 A G E -f 161 0B 13 80,-2.6 82,-2.9 -2,-0.5 2,-0.5 -0.985 12.7-163.0-118.3 132.9 -3.6 -12.6 -9.4 81 547 A V E -f 162 0B 45 -2,-0.4 2,-0.6 80,-0.2 82,-0.2 -0.964 11.8-165.4-124.9 124.0 -3.8 -9.4 -7.3 82 548 A V E -f 163 0B 3 80,-3.1 82,-3.0 -2,-0.5 84,-0.3 -0.941 20.5-163.8-104.6 117.2 -2.7 -8.9 -3.7 83 549 A L - 0 0 88 -2,-0.6 82,-0.1 2,-0.3 66,-0.0 -0.262 34.5 -99.7 -90.4 179.2 -4.0 -5.7 -2.2 84 550 A Q S S+ 0 0 43 80,-0.1 2,-0.4 1,-0.1 85,-0.1 0.872 108.7 39.9 -63.4 -41.2 -3.1 -3.7 0.9 85 551 A D - 0 0 53 241,-0.1 2,-0.4 60,-0.0 -2,-0.3 -0.893 67.9-176.3-119.3 142.0 -6.0 -5.1 2.9 86 552 A N - 0 0 27 -2,-0.4 2,-0.5 -4,-0.1 63,-0.1 -0.963 16.5-149.5-145.3 122.6 -7.3 -8.7 2.9 87 553 A V - 0 0 105 -2,-0.4 2,-0.3 62,-0.0 50,-0.2 -0.801 18.3-150.0 -88.4 124.4 -10.3 -10.4 4.6 88 554 A L - 0 0 7 -2,-0.5 2,-0.1 48,-0.1 5,-0.0 -0.740 22.2-110.6 -90.8 144.7 -9.7 -14.0 5.5 89 555 A L - 0 0 75 -2,-0.3 2,-3.0 1,-0.1 44,-0.3 -0.408 35.4 -97.5 -74.9 149.9 -12.7 -16.4 5.6 90 556 A N S S+ 0 0 88 45,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.352 94.8 84.5 -68.8 68.2 -14.0 -17.8 8.9 91 557 A R S S- 0 0 127 -2,-3.0 42,-2.4 43,-0.2 5,-0.0 -0.859 86.3 -51.8-152.3-176.0 -12.1 -21.1 8.4 92 558 A S B > -I 132 0C 13 40,-0.3 4,-2.2 -2,-0.2 40,-0.2 -0.136 44.2-116.8 -68.3 161.1 -8.7 -22.6 9.0 93 559 A I H > S+ 0 0 0 38,-1.3 4,-1.9 36,-0.5 5,-0.2 0.905 117.4 49.3 -62.2 -44.6 -5.3 -21.1 7.9 94 560 A I H > S+ 0 0 29 35,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 111.5 49.3 -60.9 -45.1 -4.6 -24.1 5.7 95 561 A D H 4 S+ 0 0 80 34,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.864 109.8 52.6 -60.7 -39.2 -8.1 -23.9 4.1 96 562 A N H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.851 112.6 43.5 -64.9 -38.2 -7.6 -20.1 3.5 97 563 A I H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.839 115.0 49.8 -74.7 -34.7 -4.3 -20.8 1.7 98 564 A S S >< S+ 0 0 11 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.350 74.4 117.5 -88.2 5.4 -5.8 -23.7 -0.3 99 565 A L T 3 S+ 0 0 87 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.811 78.3 44.0 -38.9 -49.0 -8.9 -21.7 -1.4 100 566 A A T 3 S+ 0 0 46 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.638 130.0 18.6 -78.4 -16.8 -8.0 -22.0 -5.1 101 567 A N X + 0 0 96 -3,-2.0 3,-0.6 -4,-0.1 -1,-0.3 -0.567 62.4 179.8-160.7 88.6 -7.1 -25.7 -5.0 102 568 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -7,-0.0 -0.531 74.7 54.3 -77.3 160.8 -8.0 -28.2 -2.2 103 569 A G T 3 S+ 0 0 83 1,-0.5 2,-0.4 -2,-0.2 -5,-0.0 -0.056 78.8 117.4 94.4 -30.9 -6.6 -31.7 -2.8 104 570 A M S < S- 0 0 45 -3,-0.6 -1,-0.5 -6,-0.2 -3,-0.1 -0.626 71.3-123.6 -62.3 121.5 -3.3 -30.0 -3.1 105 571 A S >> - 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g 0 160B 4 -31,-2.5 -29,-3.4 -2,-0.3 2,-0.5 -0.831 25.8-162.2-102.5 134.4 5.6 -11.6 -14.4 191 657 A V E -dg 31 161B 0 -161,-2.1 -159,-2.8 -2,-0.4 2,-0.5 -0.972 3.3-169.7-119.7 122.6 5.6 -9.8 -11.0 192 658 A I E -dg 32 162B 2 -31,-3.5 -29,-3.6 -2,-0.5 2,-0.5 -0.953 4.9-170.3-113.9 121.9 4.4 -6.2 -10.7 193 659 A I E -dg 33 163B 2 -161,-3.2 -159,-3.0 -2,-0.5 2,-0.6 -0.939 10.3-164.4-120.3 113.6 5.0 -4.4 -7.4 194 660 A I E -dg 34 164B 2 -31,-3.1 -29,-2.1 -2,-0.5 2,-0.4 -0.854 26.1-179.6 -90.0 119.4 3.5 -1.0 -6.5 195 661 A A - 0 0 4 -161,-1.9 -159,-0.4 -2,-0.6 216,-0.1 -0.960 41.3-175.8-130.7 141.3 5.4 0.4 -3.5 196 662 A A S S+ 0 0 4 -2,-0.4 2,-0.9 214,-0.2 218,-0.4 0.701 87.6 70.9 -91.3 -33.4 5.4 3.4 -1.3 197 663 A R S > S- 0 0 0 1,-0.2 3,-1.5 213,-0.2 4,-0.4 -0.792 75.4-159.9 -83.9 106.9 8.5 2.0 0.4 198 664 A L G > S+ 0 0 5 -2,-0.9 3,-1.3 1,-0.3 4,-0.2 0.825 84.3 67.8 -59.4 -35.7 11.2 2.5 -2.3 199 665 A S G > S+ 0 0 33 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.709 87.7 70.3 -59.6 -22.4 13.5 -0.1 -0.7 200 666 A T G < S+ 0 0 6 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.888 106.3 35.2 -60.1 -42.1 11.0 -2.8 -1.6 201 667 A V G X S+ 0 0 1 -3,-1.3 3,-2.2 -4,-0.4 -1,-0.2 0.207 80.1 116.4-102.9 14.7 11.7 -2.5 -5.4 202 668 A K T < S+ 0 0 74 -3,-0.8 19,-0.5 1,-0.3 20,-0.2 0.804 82.4 42.9 -52.5 -35.6 15.5 -1.8 -5.2 203 669 A N T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 -4,-0.2 -172,-0.1 0.089 84.0 130.8-104.2 21.6 16.3 -5.0 -7.0 204 670 A A < - 0 0 5 -3,-2.2 17,-0.3 1,-0.1 3,-0.2 -0.434 63.9-128.9 -68.9 148.3 13.5 -4.8 -9.7 205 671 A D S S+ 0 0 66 -174,-1.6 2,-0.3 1,-0.3 -173,-0.2 0.810 97.2 11.5 -65.9 -31.6 14.6 -5.4 -13.3 206 672 A R E -e 32 0B 35 -175,-1.3 -173,-2.4 -5,-0.1 2,-0.5 -0.976 68.7-156.0-148.4 131.1 12.9 -2.1 -14.2 207 673 A I E -eH 33 219B 0 12,-2.1 12,-1.3 -2,-0.3 2,-0.5 -0.961 12.1-156.0-109.8 127.1 11.4 0.6 -11.9 208 674 A I E -eH 34 218B 1 -175,-3.5 -173,-2.8 -2,-0.5 2,-0.6 -0.882 1.7-154.5-104.2 128.5 8.7 2.8 -13.4 209 675 A V E -eH 35 217B 0 8,-2.2 7,-2.4 -2,-0.5 8,-1.1 -0.912 11.8-161.3-107.6 113.0 8.1 6.3 -11.9 210 676 A M E +eH 36 215B 0 -175,-2.9 -173,-0.6 -2,-0.6 2,-0.3 -0.726 15.0 169.0 -94.9 140.1 4.5 7.6 -12.4 211 677 A E E > S- H 0 214B 25 3,-2.3 3,-1.6 -2,-0.3 -171,-0.1 -0.912 70.8 -17.4-151.4 125.0 3.5 11.3 -12.2 212 678 A K T 3 S- 0 0 132 -2,-0.3 -171,-0.1 1,-0.3 -172,-0.1 0.842 129.0 -49.4 47.2 42.5 0.2 12.8 -13.1 213 679 A G T 3 S+ 0 0 2 -173,-2.0 -193,-2.4 1,-0.2 2,-0.3 0.569 117.9 105.0 80.2 11.7 -0.7 9.7 -15.2 214 680 A K E < S-H 211 0B 92 -3,-1.6 -3,-2.3 -195,-0.2 2,-1.0 -0.924 76.6-120.4-122.2 146.6 2.6 9.5 -17.1 215 681 A I E +H 210 0B 47 -2,-0.3 -5,-0.2 -195,-0.3 -192,-0.1 -0.796 42.2 171.9 -80.1 104.4 5.6 7.3 -16.9 216 682 A V E + 0 0 72 -7,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.750 57.5 13.4 -93.4 -30.1 8.0 10.2 -16.2 217 683 A E E -H 209 0B 47 -8,-1.1 -8,-2.2 -3,-0.1 2,-0.3 -0.948 65.2-177.0-145.2 160.8 11.2 8.3 -15.4 218 684 A Q E +H 208 0B 114 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.992 25.7 75.7-160.1 152.1 12.5 4.7 -15.8 219 685 A G E S-H 207 0B 2 -12,-1.3 -12,-2.1 -2,-0.3 2,-0.1 -0.821 72.1 -37.0 141.1-174.1 15.4 2.4 -15.1 220 686 A K > - 0 0 103 -2,-0.2 4,-2.1 -14,-0.2 5,-0.2 -0.361 64.0 -99.6 -74.8 162.8 17.2 0.4 -12.5 221 687 A H H > S+ 0 0 21 -19,-0.5 4,-1.1 -17,-0.3 5,-0.1 0.875 124.7 41.9 -50.4 -48.0 17.5 1.7 -8.9 222 688 A K H > S+ 0 0 167 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.791 112.0 55.8 -73.0 -29.8 21.1 3.0 -9.4 223 689 A E H 4 S+ 0 0 114 1,-0.2 4,-0.4 -3,-0.2 3,-0.2 0.818 107.0 49.8 -70.2 -33.3 20.3 4.3 -12.9 224 690 A L H >< S+ 0 0 8 -4,-2.1 3,-0.6 1,-0.2 9,-0.4 0.780 108.0 53.2 -76.2 -29.3 17.5 6.5 -11.5 225 691 A L H 3< S+ 0 0 44 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.590 87.3 82.3 -80.6 -12.9 19.8 7.9 -8.8 226 692 A S T 3< S+ 0 0 85 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.818 87.9 59.8 -59.7 -33.7 22.4 8.9 -11.4 227 693 A E S X S- 0 0 120 -3,-0.6 3,-1.1 -4,-0.4 6,-0.3 -0.895 70.1-169.5 -96.7 109.9 20.2 12.0 -11.9 228 694 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.776 87.6 54.8 -69.4 -26.4 20.1 13.9 -8.6 229 695 A E T 3 S+ 0 0 108 -3,-0.1 608,-0.1 4,-0.1 -4,-0.1 0.357 86.2 114.9 -87.6 3.9 17.4 16.2 -9.9 230 696 A S S <> S- 0 0 9 -3,-1.1 4,-1.7 -6,-0.2 5,-0.1 -0.298 77.4-119.8 -70.9 158.2 15.1 13.2 -10.9 231 697 A L H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.878 115.3 55.1 -64.5 -38.9 11.8 12.6 -9.2 232 698 A Y H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 107.5 49.7 -61.3 -39.9 13.0 9.2 -8.0 233 699 A S H > S+ 0 0 5 -9,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.889 107.9 53.8 -65.2 -40.9 16.0 10.9 -6.3 234 700 A Y H < S+ 0 0 31 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.899 112.4 42.9 -61.5 -44.7 13.8 13.4 -4.5 235 701 A L H >< S+ 0 0 2 -4,-2.0 3,-1.0 2,-0.2 4,-0.5 0.904 113.6 52.6 -66.9 -43.5 11.6 10.7 -3.0 236 702 A Y H >< S+ 0 0 82 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.897 105.6 52.9 -59.3 -44.8 14.6 8.6 -2.1 237 703 A Q T 3< S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.582 97.6 68.2 -71.2 -9.1 16.4 11.4 -0.3 238 704 A L T < + 0 0 20 -3,-1.0 2,-0.9 -4,-0.4 -1,-0.3 0.638 69.8 103.9 -82.7 -17.9 13.2 11.9 1.8 239 705 A Q S < S- 0 0 26 -3,-1.5 203,-0.0 -4,-0.5 -3,-0.0 -0.595 102.0 -0.8 -57.1 104.0 13.9 8.5 3.4 240 706 A S 0 0 56 -2,-0.9 -1,-0.2 1,-0.2 202,-0.1 0.936 360.0 360.0 65.7 96.5 15.1 10.1 6.6 241 707 A D 0 0 129 -3,-0.3 -1,-0.2 200,-0.2 -3,-0.0 -0.756 360.0 360.0-147.8 360.0 15.0 13.9 6.5 242 !* 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 0.0 243 467 B D 0 0 74 0, 0.0 62,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -11.2 -1.0 10.7 31.4 244 468 B I E +JK 268 304D 1 24,-1.0 24,-2.7 60,-0.2 2,-0.4 -0.917 360.0 174.6-137.8 118.3 -0.9 7.2 29.9 245 469 B T E -JK 267 303D 34 58,-2.8 58,-2.5 -2,-0.3 2,-0.5 -0.983 20.9-168.5-131.5 132.4 0.3 4.5 32.3 246 470 B F E -JK 266 302D 2 20,-3.0 20,-1.8 -2,-0.4 2,-0.5 -0.986 14.2-170.0-112.7 121.6 0.6 0.7 32.0 247 471 B R E - 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0 0 106 -2,-0.3 4,-2.0 -14,-0.2 3,-0.3 -0.384 61.7-103.3 -74.2 156.2 38.1 37.9 -20.2 947 687 D H H > S+ 0 0 21 -17,-0.4 4,-1.5 -19,-0.4 3,-0.1 0.870 120.4 41.4 -46.3 -54.0 39.0 38.7 -16.6 948 688 D K H > S+ 0 0 172 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.820 111.7 56.7 -67.9 -33.3 42.8 38.2 -17.0 949 689 D E H 4 S+ 0 0 125 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.854 112.3 40.7 -66.2 -38.2 42.9 39.8 -20.5 950 690 D L H < S+ 0 0 14 -4,-2.0 9,-0.4 1,-0.2 -1,-0.2 0.751 114.2 53.0 -81.2 -27.4 41.4 43.1 -19.1 951 691 D L H < S+ 0 0 50 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.718 97.3 65.2 -81.9 -23.6 43.5 43.0 -15.9 952 692 D S S < S+ 0 0 98 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.783 83.9 87.7 -68.4 -29.8 46.8 42.6 -17.8 953 693 D E - 0 0 84 -4,-0.5 6,-0.3 -3,-0.2 3,-0.2 -0.633 62.7-166.4 -69.3 115.2 46.2 46.1 -19.2 954 694 D P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.675 88.0 49.0 -78.1 -15.9 47.8 48.5 -16.7 955 695 D E S S+ 0 0 156 4,-0.0 -2,-0.1 -3,-0.0 -3,-0.0 0.585 88.0 112.4 -95.7 -14.9 46.0 51.4 -18.4 956 696 D S S > S- 0 0 4 -3,-0.2 4,-1.4 -6,-0.2 -13,-0.0 -0.124 71.3-129.4 -64.4 155.0 42.5 49.9 -18.6 957 697 D L H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.804 109.0 60.8 -69.6 -32.0 39.5 51.1 -16.7 958 698 D Y H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 104.9 46.4 -59.5 -47.5 38.9 47.5 -15.5 959 699 D S H > S+ 0 0 10 -9,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.881 108.2 55.8 -65.5 -41.8 42.3 47.4 -13.8 960 700 D Y H X S+ 0 0 100 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.898 112.5 42.5 -56.4 -44.6 41.8 50.8 -12.1 961 701 D L H X S+ 0 0 5 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.836 112.3 53.6 -72.0 -35.6 38.5 49.6 -10.5 962 702 D Y H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 3,-0.2 0.844 104.6 54.2 -69.0 -36.1 39.9 46.2 -9.6 963 703 D Q H X S+ 0 0 127 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.823 107.6 51.8 -65.0 -32.3 42.9 47.8 -7.7 964 704 D L H < S+ 0 0 48 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.690 110.2 50.4 -73.0 -21.7 40.2 49.7 -5.8 965 705 D Q H < S+ 0 0 18 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.881 110.6 47.7 -80.7 -42.8 38.5 46.3 -5.1 966 706 D S H < 0 0 50 -4,-2.3 -2,-0.1 1,-0.2 -3,-0.1 0.989 360.0 360.0 -62.7 -83.3 41.6 44.5 -3.8 967 707 D D < 0 0 133 -4,-0.8 -1,-0.2 0, 0.0 -2,-0.1 -0.260 360.0 360.0 57.6 360.0 43.4 46.8 -1.3