==== 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 26-OCT-07 3B5J . COMPND 2 MOLECULE: ALPHA-HEMOLYSIN TRANSLOCATION ATP-BINDING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.OSWALD,S.JENEWEIN,S.H.J.SMITS,I.B.HOLLAND,L.SCHMITT . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 24.7 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+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 2 1 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 1 465 A H 0 0 133 0, 0.0 29,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 131.7 34.2 -11.3 7.1 2 466 A H E -A 29 0A 81 27,-0.3 63,-0.4 1,-0.1 27,-0.3 -0.826 360.0-172.6 -94.6 127.3 33.8 -9.2 10.3 3 467 A D E S+ 0 0 4 25,-2.1 2,-0.4 -2,-0.5 62,-0.3 0.683 76.8 31.8 -86.3 -24.7 31.9 -6.0 10.0 4 468 A I E +A 28 0A 0 24,-1.6 24,-3.2 60,-0.2 2,-0.4 -0.964 66.2 176.8-142.3 120.6 32.6 -4.8 13.5 5 469 A T E -AB 27 63A 13 58,-2.9 58,-2.9 -2,-0.4 2,-0.5 -0.990 10.4-170.6-127.5 132.0 35.6 -5.5 15.6 6 470 A F E -AB 26 62A 2 20,-3.3 20,-1.9 -2,-0.4 2,-0.5 -0.986 9.6-171.3-111.5 129.4 36.5 -4.2 19.1 7 471 A R E - B 0 61A 123 54,-2.5 54,-2.0 -2,-0.5 18,-0.2 -0.950 67.1 -34.2-125.6 111.3 40.0 -5.0 20.2 8 472 A N E S- 0 0 67 -2,-0.5 2,-0.3 52,-0.2 15,-0.3 0.805 81.3-172.7 53.6 39.5 41.0 -4.3 23.9 9 473 A I E -A 24 0A 0 15,-1.9 15,-2.1 52,-0.2 2,-0.4 -0.477 12.7-179.7 -73.8 122.4 38.8 -1.2 24.1 10 474 A R E + B 0 59A 99 49,-2.0 48,-1.3 -2,-0.3 49,-1.3 -0.989 11.1 174.8-116.3 134.5 39.0 0.9 27.2 11 475 A F E +A 21 0A 5 10,-2.2 9,-3.2 -2,-0.4 10,-1.9 -0.994 18.0 169.4-146.8 136.7 36.8 3.9 27.4 12 476 A R E -A 19 0A 59 -2,-0.4 7,-0.2 7,-0.3 -2,-0.0 -0.982 33.6-131.2-135.0 148.4 35.8 6.6 29.9 13 477 A Y S S+ 0 0 71 5,-0.5 -1,-0.1 -2,-0.3 6,-0.1 0.883 90.7 24.9 -67.5 -40.6 33.7 9.8 29.1 14 478 A K S > S- 0 0 145 4,-0.2 3,-1.2 1,-0.1 -1,-0.1 -0.942 89.1-105.1-128.3 150.6 36.1 12.3 30.7 15 479 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.762 122.5 25.0 -42.5 -37.7 39.9 12.1 31.5 16 480 A D T 3 S+ 0 0 158 2,-0.0 3,-0.1 3,-0.0 -3,-0.0 0.544 101.0 107.2-105.5 -8.6 39.3 11.5 35.2 17 481 A S S < S- 0 0 24 -3,-1.2 3,-0.1 1,-0.1 0, 0.0 -0.066 81.3 -72.3 -66.6 167.0 35.8 10.0 35.0 18 482 A P - 0 0 96 0, 0.0 -5,-0.5 0, 0.0 2,-0.5 -0.253 49.0-101.0 -62.3 149.5 35.1 6.2 35.6 19 483 A V E +A 12 0A 56 1,-0.2 -7,-0.3 -7,-0.2 3,-0.1 -0.601 39.5 178.7 -69.0 120.4 36.1 3.5 33.1 20 484 A I E + 0 0 46 -9,-3.2 2,-0.5 -2,-0.5 -8,-0.2 0.776 69.8 33.5 -97.6 -35.7 32.9 2.5 31.3 21 485 A L E S-A 11 0A 0 -10,-1.9 -10,-2.2 25,-0.1 2,-0.5 -0.993 70.5-169.6-124.4 122.4 34.3 -0.1 28.9 22 486 A D E - 0 0 36 193,-2.7 195,-0.3 -2,-0.5 -12,-0.2 -0.961 66.5 -27.2-118.7 119.9 37.2 -2.3 30.1 23 487 A N E S- 0 0 82 -2,-0.5 2,-0.5 -15,-0.3 194,-0.2 0.899 74.7-167.7 48.9 55.6 39.0 -4.5 27.6 24 488 A I E -A 9 0A 0 -15,-2.1 -15,-1.9 -17,-0.1 2,-0.5 -0.642 9.1-179.8 -77.2 120.9 36.1 -5.0 25.2 25 489 A N E + 0 0 73 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.966 17.3 145.4-126.2 115.2 36.9 -7.8 22.7 26 490 A L E -A 6 0A 7 -20,-1.9 -20,-3.3 -2,-0.5 2,-0.4 -0.994 25.5-171.9-152.8 138.0 34.2 -8.4 20.2 27 491 A S E -A 5 0A 37 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.953 8.9-165.1-140.1 121.1 34.0 -9.4 16.6 28 492 A I E -A 4 0A 0 -24,-3.2 -25,-2.1 -2,-0.4 -24,-1.6 -0.931 16.4-134.9-112.0 120.5 30.8 -9.4 14.6 29 493 A K E > -A 2 0A 125 -2,-0.5 3,-1.8 -27,-0.3 -27,-0.3 -0.354 38.2 -84.5 -67.3 151.6 30.5 -11.2 11.3 30 494 A Q T 3 S+ 0 0 99 -29,-3.3 -1,-0.1 1,-0.3 3,-0.1 -0.365 115.4 13.5 -56.7 127.1 28.9 -9.6 8.3 31 495 A G T 3 S+ 0 0 30 1,-0.3 -1,-0.3 130,-0.3 160,-0.2 0.377 91.7 141.4 86.9 -4.8 25.1 -10.1 8.4 32 496 A E < - 0 0 26 -3,-1.8 161,-3.3 158,-0.1 2,-0.6 -0.391 46.8-141.2 -64.1 144.1 25.0 -11.3 12.0 33 497 A V E -d 193 0B 31 159,-0.2 174,-1.5 -3,-0.1 175,-1.2 -0.969 24.1-168.4-107.0 116.7 22.2 -10.1 14.3 34 498 A I E -de 194 208B 0 159,-4.0 161,-3.2 -2,-0.6 2,-0.4 -0.908 12.2-158.3-111.4 128.7 23.6 -9.4 17.7 35 499 A G E -de 195 209B 0 173,-2.2 175,-3.0 -2,-0.5 2,-0.5 -0.858 7.7-160.2 -96.4 139.7 21.6 -8.7 20.9 36 500 A I E +de 196 210B 0 159,-2.8 161,-2.0 -2,-0.4 2,-0.3 -0.983 17.8 171.6-121.4 119.5 23.3 -6.8 23.7 37 501 A V E + e 0 211B 0 173,-2.7 175,-3.0 -2,-0.5 2,-0.2 -0.802 12.7 118.4-123.0 167.6 21.8 -7.2 27.2 38 502 A G - 0 0 15 159,-0.3 175,-0.2 -2,-0.3 3,-0.1 -0.718 61.0 -58.7 149.4 159.8 22.8 -6.2 30.7 39 503 A R S > S- 0 0 101 173,-0.4 3,-1.9 -2,-0.2 5,-0.3 -0.069 73.2 -73.7 -57.8 159.8 21.7 -4.1 33.6 40 504 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.1 158,-0.0 -0.343 123.6 20.2 -51.9 130.6 21.1 -0.3 33.2 41 505 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 172,-0.0 -2,-0.1 0.554 81.4 125.5 85.7 9.0 24.6 1.3 33.0 42 506 A S S < S- 0 0 2 -3,-1.9 173,-1.9 172,-0.1 171,-0.2 0.679 86.4-100.6 -75.2 -17.9 26.5 -1.8 32.0 43 507 A G S > S+ 0 0 6 -4,-0.2 4,-1.9 171,-0.1 -3,-0.1 0.576 80.9 131.2 113.4 16.9 27.9 0.0 28.9 44 508 A K H > S+ 0 0 8 -5,-0.3 4,-1.2 2,-0.2 -4,-0.1 0.948 79.3 41.0 -66.7 -49.7 25.7 -1.2 26.1 45 509 A S H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.919 111.2 58.1 -62.8 -44.5 24.8 2.2 24.6 46 510 A T H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 101.4 57.1 -52.6 -42.0 28.4 3.4 25.1 47 511 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.916 107.6 45.8 -54.7 -46.2 29.5 0.5 22.9 48 512 A T H X S+ 0 0 2 -4,-1.2 4,-1.1 -3,-0.4 -1,-0.2 0.789 106.4 59.9 -72.8 -28.4 27.4 1.6 20.0 49 513 A K H <>S+ 0 0 56 -4,-1.9 5,-2.4 1,-0.2 6,-0.5 0.885 104.0 50.5 -62.9 -41.4 28.5 5.2 20.4 50 514 A L H ><5S+ 0 0 2 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.815 102.6 60.6 -67.6 -32.7 32.1 4.0 19.8 51 515 A I H 3<5S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.0 41.9 -58.7 -35.9 31.0 2.2 16.6 52 516 A Q T 3<5S- 0 0 39 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.390 113.4-122.7 -89.8 2.6 29.9 5.6 15.3 53 517 A R T < 5 + 0 0 83 -3,-1.0 -3,-0.2 -4,-0.1 -2,-0.1 0.808 65.9 142.5 51.1 35.5 33.1 7.2 16.7 54 518 A F S S- C 0 67A 0 3,-2.3 3,-2.7 -2,-0.4 -60,-0.2 -0.999 85.7 -16.0-117.4 129.2 34.8 -1.8 10.5 65 529 A D T 3 S- 0 0 48 -2,-0.4 -62,-0.1 -63,-0.4 -63,-0.1 0.294 129.4 -55.9 67.4 -11.5 35.6 -4.1 7.6 66 530 A G T 3 S+ 0 0 51 1,-0.3 2,-0.9 -63,-0.2 -1,-0.3 0.080 111.2 126.7 117.5 -18.5 39.2 -4.0 8.8 67 531 A H E < -C 64 0A 97 -3,-2.7 -3,-2.3 2,-0.0 -1,-0.3 -0.656 61.4-135.2 -71.0 104.1 39.2 -0.2 8.6 68 532 A D E >> -C 63 0A 48 -2,-0.9 3,-1.7 -5,-0.3 4,-1.2 -0.472 13.4-136.3 -55.2 126.2 40.4 1.1 12.0 69 533 A L T 34 S+ 0 0 5 -7,-2.9 -1,-0.2 1,-0.3 -6,-0.1 0.691 99.1 72.8 -66.4 -19.9 37.9 4.0 12.6 70 534 A A T 34 S+ 0 0 54 -8,-0.3 -1,-0.3 1,-0.2 -7,-0.1 0.784 113.2 27.5 -58.9 -29.0 40.8 6.2 13.8 71 535 A L T <4 S+ 0 0 158 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.585 99.3 109.5-109.1 -18.5 41.8 6.4 10.2 72 536 A A S < S- 0 0 20 -4,-1.2 -3,-0.0 1,-0.1 3,-0.0 -0.247 80.8 -97.8 -68.2 146.5 38.5 5.8 8.4 73 537 A D > - 0 0 82 1,-0.2 4,-2.1 2,-0.0 -1,-0.1 -0.488 27.6-146.6 -58.3 123.6 36.7 8.6 6.5 74 538 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.806 99.8 56.1 -64.3 -29.2 34.1 10.0 9.0 75 539 A N H > S+ 0 0 92 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.908 107.5 47.5 -69.5 -42.6 31.8 10.6 6.0 76 540 A W H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.915 110.7 52.4 -59.6 -45.1 32.0 7.0 5.0 77 541 A L H X S+ 0 0 10 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.876 103.2 56.8 -65.0 -39.2 31.3 5.8 8.5 78 542 A R H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.9 45.5 -57.2 -35.5 28.2 8.0 8.8 79 543 A R H < S+ 0 0 110 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.727 106.2 58.9 -83.3 -22.4 26.9 6.2 5.7 80 544 A Q H < S+ 0 0 30 -4,-1.4 82,-2.4 -3,-0.2 2,-0.5 0.766 102.8 60.1 -70.5 -28.9 27.8 2.6 6.9 81 545 A V E < -f 162 0B 17 -4,-1.2 2,-0.4 80,-0.2 82,-0.2 -0.899 58.8-172.8-118.9 123.3 25.7 2.9 10.0 82 546 A G E -f 163 0B 7 80,-3.1 82,-2.7 -2,-0.5 2,-0.5 -0.932 12.2-157.8-109.4 137.2 22.0 3.4 10.4 83 547 A V E -f 164 0B 22 -2,-0.4 2,-0.9 80,-0.2 82,-0.2 -0.973 13.1-145.8-120.6 126.4 20.5 3.9 13.9 84 548 A V E -f 165 0B 0 80,-2.9 82,-2.0 -2,-0.5 2,-0.1 -0.800 31.8-158.2 -83.3 105.6 17.0 3.3 14.9 85 549 A L - 0 0 43 -2,-0.9 2,-0.4 66,-0.3 3,-0.3 -0.467 10.2-125.8 -86.9 157.9 16.5 6.1 17.4 86 550 A Q S S- 0 0 36 1,-0.2 81,-0.1 -2,-0.1 82,-0.0 -0.833 83.3 -8.8 -99.8 141.8 13.9 6.3 20.2 87 551 A D S S+ 0 0 95 -2,-0.4 -1,-0.2 1,-0.1 61,-0.0 0.828 96.7 118.7 41.0 50.6 11.6 9.3 20.5 88 552 A N + 0 0 82 -3,-0.3 2,-0.5 59,-0.1 -1,-0.1 -0.384 26.2 122.7-141.1 57.2 13.4 11.4 17.9 89 553 A V - 0 0 20 46,-0.0 2,-0.3 4,-0.0 6,-0.0 -0.994 64.9-121.4-117.9 118.6 10.9 12.0 15.2 90 554 A L > - 0 0 67 -2,-0.5 3,-0.9 1,-0.2 45,-0.4 -0.464 18.7-161.5 -63.7 119.3 10.4 15.8 14.6 91 555 A L T 3 S+ 0 0 78 -2,-0.3 45,-3.0 1,-0.2 -1,-0.2 0.837 85.8 60.2 -71.9 -34.6 6.8 16.7 15.1 92 556 A N T 3 S+ 0 0 150 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.354 101.8 65.9 -78.4 6.7 7.0 20.0 13.2 93 557 A R S < S- 0 0 104 -3,-0.9 42,-2.3 1,-0.1 43,-0.3 -0.837 87.6 -90.4-130.2 165.6 8.0 18.3 9.9 94 558 A S B > -I 134 0C 10 -2,-0.3 4,-2.5 40,-0.3 40,-0.2 -0.252 33.8-113.7 -74.7 158.0 6.6 15.8 7.4 95 559 A I H > S+ 0 0 0 38,-1.7 4,-1.7 36,-0.5 37,-0.2 0.941 120.4 47.9 -53.9 -49.1 6.8 12.1 7.5 96 560 A I H > S+ 0 0 28 35,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.841 110.6 51.8 -61.0 -35.3 9.0 12.1 4.3 97 561 A D H 4 S+ 0 0 55 34,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 110.1 49.5 -69.0 -38.1 11.2 14.9 5.9 98 562 A N H < S+ 0 0 1 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.778 113.1 46.7 -68.5 -31.6 11.6 12.8 9.0 99 563 A I H < S+ 0 0 0 -4,-1.7 3,-0.4 -5,-0.2 58,-0.2 0.887 118.6 39.1 -78.7 -39.0 12.6 9.7 7.0 100 564 A S S >< S+ 0 0 11 -4,-2.2 3,-0.8 1,-0.2 6,-0.2 0.160 81.9 114.4 -97.2 20.7 15.1 11.5 4.7 101 565 A L T 3 + 0 0 44 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.829 68.6 58.7 -64.9 -37.7 16.5 13.7 7.4 102 566 A A T 3 S+ 0 0 58 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.773 128.3 15.6 -64.2 -29.9 20.1 12.2 7.4 103 567 A N S X S- 0 0 66 -3,-0.8 3,-0.8 1,-0.0 -1,-0.3 -0.677 73.5-170.9-144.2 91.3 20.3 13.2 3.7 104 568 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.570 76.8 63.0 -56.0 -17.5 17.6 15.7 2.7 105 569 A G T 3 S+ 0 0 70 -4,-0.1 -4,-0.1 -5,-0.1 -5,-0.0 -0.088 78.5 101.3-109.3 35.6 18.2 15.5 -1.0 106 570 A M S < S- 0 0 42 -3,-0.8 2,-0.3 -6,-0.2 3,-0.0 0.390 71.6 -71.8 -90.7-136.8 17.4 11.9 -1.9 107 571 A S > - 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0 0 103 -3,-0.0 2,-0.2 -2,-0.0 -26,-0.1 -0.859 35.9-137.4 -96.1 131.9 6.5 0.4 25.4 172 636 A L - 0 0 55 -2,-0.5 -4,-0.0 1,-0.1 -1,-0.0 -0.499 17.8 -99.9 -92.5 157.4 4.9 0.2 21.9 173 637 A D > - 0 0 57 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.229 36.4-107.1 -69.3 161.9 1.3 -0.8 20.9 174 638 A Y H > S+ 0 0 181 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 114.0 50.0 -58.6 -51.5 0.4 -4.3 19.6 175 639 A E H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 113.2 46.4 -56.9 -48.0 -0.0 -3.5 15.9 176 640 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.944 116.0 44.1 -60.1 -52.0 3.3 -1.6 15.6 177 641 A E H X S+ 0 0 70 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.860 113.9 50.3 -62.8 -40.0 5.3 -4.3 17.5 178 642 A H H X S+ 0 0 80 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.902 113.9 45.7 -64.1 -42.5 3.6 -7.1 15.6 179 643 A V H X S+ 0 0 42 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.900 113.9 48.9 -65.2 -44.2 4.4 -5.3 12.3 180 644 A I H X S+ 0 0 13 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.949 114.2 44.6 -63.1 -49.7 8.0 -4.7 13.4 181 645 A M H >< S+ 0 0 90 -4,-2.9 3,-0.5 1,-0.2 4,-0.4 0.876 112.4 52.3 -62.5 -40.1 8.6 -8.3 14.5 182 646 A R H 3< S+ 0 0 169 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.837 117.2 39.7 -62.0 -34.5 6.9 -9.6 11.3 183 647 A N H >X S+ 0 0 31 -4,-1.7 4,-2.8 1,-0.2 3,-0.9 0.482 86.1 99.0 -95.2 -4.8 9.2 -7.4 9.2 184 648 A M H S+ 0 0 128 -4,-0.4 4,-0.9 -3,-0.3 -1,-0.3 0.811 114.5 43.4 -66.6 -29.7 14.0 -10.4 8.9 186 650 A K H <4 S+ 0 0 111 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.868 113.7 50.4 -79.0 -41.6 13.4 -8.1 6.0 187 651 A I H < S+ 0 0 0 -4,-2.8 -2,-0.2 -70,-0.2 -3,-0.2 0.894 118.9 39.3 -58.4 -39.9 14.7 -5.0 8.0 188 652 A C H >< S+ 0 0 14 -4,-2.8 3,-2.5 -5,-0.2 -1,-0.2 0.666 84.6 125.4 -89.8 -17.7 17.8 -7.0 8.9 189 653 A K T 3< S+ 0 0 165 -4,-0.9 3,-0.1 1,-0.3 -3,-0.1 -0.133 85.6 2.5 -48.9 125.9 18.3 -8.8 5.6 190 654 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -159,-0.1 -1,-0.3 0.514 113.1 108.2 79.7 5.5 21.9 -8.1 4.2 191 655 A R S < S- 0 0 13 -3,-2.5 2,-0.6 -160,-0.2 -1,-0.2 -0.886 71.9-126.3-121.9 146.0 22.8 -6.1 7.3 192 656 A T E - g 0 162B 0 -31,-2.9 -29,-3.0 -2,-0.3 2,-0.4 -0.800 43.6-159.9 -80.4 124.5 25.0 -6.5 10.3 193 657 A V E -dg 33 163B 0 -161,-3.3 -159,-4.0 -2,-0.6 2,-0.5 -0.943 22.0-171.9-123.3 131.2 22.6 -5.8 13.2 194 658 A I E -dg 34 164B 0 -31,-3.2 -29,-3.1 -2,-0.4 2,-0.5 -0.978 6.4-173.1-117.2 126.0 23.0 -4.7 16.7 195 659 A I E -dg 35 165B 18 -161,-3.2 -159,-2.8 -2,-0.5 2,-0.8 -0.973 14.8-153.1-117.7 116.5 19.9 -4.6 19.1 196 660 A I E -d 36 0B 6 -31,-2.4 2,-0.5 -2,-0.5 -28,-0.5 -0.817 29.2-147.3 -84.5 113.3 20.3 -3.2 22.6 197 661 A A - 0 0 4 -161,-2.0 -159,-0.3 -2,-0.8 -30,-0.1 -0.743 30.3-175.1-100.3 123.4 17.6 -5.1 24.3 198 662 A H S S+ 0 0 101 -2,-0.5 2,-0.4 1,-0.2 -160,-0.2 0.985 88.8 36.2 -64.7 -68.4 15.5 -3.8 27.2 199 663 A R S > S- 0 0 116 1,-0.1 3,-1.3 -162,-0.1 4,-0.4 -0.744 81.2-139.4 -86.1 133.8 13.7 -7.2 27.6 200 664 A L G > S+ 0 0 3 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.834 100.3 69.7 -59.9 -33.3 16.0 -10.2 27.0 201 665 A S G > S+ 0 0 66 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.790 86.1 69.2 -54.0 -31.1 13.0 -11.9 25.2 202 666 A T G < S+ 0 0 49 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.807 107.7 33.7 -59.4 -33.7 13.5 -9.3 22.4 203 667 A V G X S+ 0 0 2 -3,-1.5 3,-1.8 -4,-0.4 -1,-0.3 0.090 79.4 118.3-115.1 21.1 16.8 -10.8 21.2 204 668 A K T < S+ 0 0 93 -3,-1.3 19,-0.5 1,-0.3 20,-0.2 0.817 82.3 43.6 -55.4 -34.6 16.1 -14.5 22.0 205 669 A N T 3 S+ 0 0 150 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.185 84.6 125.8-104.0 13.8 16.5 -15.4 18.3 206 670 A A S < S- 0 0 10 -3,-1.8 17,-0.4 1,-0.1 -172,-0.2 -0.401 72.8-118.4 -63.1 150.5 19.6 -13.2 17.7 207 671 A D S S+ 0 0 60 -174,-1.5 2,-0.3 1,-0.2 -173,-0.2 0.844 96.9 0.9 -58.5 -35.5 22.6 -15.1 16.3 208 672 A R E -e 34 0B 44 -175,-1.2 -173,-2.2 14,-0.1 2,-0.4 -0.981 67.6-146.4-156.0 140.3 24.5 -14.3 19.4 209 673 A I E -eH 35 221B 0 12,-3.0 12,-1.9 -2,-0.3 2,-0.5 -0.969 11.1-150.7-115.1 133.6 23.7 -12.4 22.5 210 674 A I E -eH 36 220B 0 -175,-3.0 -173,-2.7 -2,-0.4 2,-0.7 -0.916 8.3-152.8-103.4 122.2 26.4 -10.3 24.3 211 675 A V E -eH 37 219B 0 8,-2.9 7,-2.6 -2,-0.5 8,-1.3 -0.868 13.6-167.4-101.5 112.4 26.0 -10.0 28.1 212 676 A M E + H 0 217B 0 -175,-3.0 -173,-0.4 -2,-0.7 2,-0.3 -0.780 11.6 172.7-101.7 142.6 27.5 -6.9 29.5 213 677 A E E > S- H 0 216B 37 3,-2.7 3,-2.0 -2,-0.3 -171,-0.1 -0.944 70.2 -16.5-147.6 127.1 28.1 -6.1 33.2 214 678 A K T 3 S- 0 0 173 -2,-0.3 -172,-0.1 1,-0.3 -171,-0.1 0.854 129.6 -47.9 45.2 45.4 30.0 -3.2 34.6 215 679 A G T 3 S+ 0 0 1 -173,-1.9 -193,-2.7 1,-0.2 2,-0.4 0.573 119.4 103.1 80.3 9.7 31.6 -2.4 31.3 216 680 A K E < S-H 213 0B 96 -3,-2.0 -3,-2.7 -195,-0.2 2,-0.9 -0.925 74.7-123.4-120.0 147.3 32.7 -5.9 30.6 217 681 A I E +H 212 0B 30 -2,-0.4 -5,-0.3 -195,-0.3 3,-0.1 -0.843 35.8 173.8 -80.3 111.3 31.4 -8.6 28.3 218 682 A V E + 0 0 68 -7,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.805 60.9 7.6 -89.1 -35.0 30.9 -11.3 30.9 219 683 A E E -H 211 0B 19 -8,-1.3 -8,-2.9 -3,-0.1 2,-0.3 -0.954 60.7-179.4-144.9 159.3 29.1 -13.9 28.6 220 684 A Q E +H 210 0B 95 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.961 29.9 78.8-160.0 147.6 28.3 -14.4 25.0 221 685 A G E S-H 209 0B 15 -12,-1.9 -12,-3.0 -2,-0.3 2,-0.1 -0.906 74.3 -33.1 148.4-171.8 26.5 -17.0 22.8 222 686 A K > - 0 0 115 -2,-0.3 4,-2.6 -14,-0.2 3,-0.3 -0.393 62.2-103.9 -74.2 155.2 23.1 -18.2 21.7 223 687 A H H > S+ 0 0 28 -19,-0.5 4,-2.1 -17,-0.4 5,-0.2 0.898 120.9 49.4 -40.0 -54.0 20.1 -18.0 24.0 224 688 A K H > S+ 0 0 165 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.872 111.9 45.9 -60.4 -44.7 20.3 -21.8 24.6 225 689 A E H > S+ 0 0 135 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.856 110.9 54.1 -69.8 -36.0 24.1 -21.9 25.4 226 690 A L H < S+ 0 0 1 -4,-2.6 3,-0.5 1,-0.2 9,-0.4 0.884 110.0 46.0 -65.5 -41.3 23.8 -18.9 27.7 227 691 A L H < S+ 0 0 68 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.717 107.7 59.6 -69.6 -22.4 21.0 -20.6 29.8 228 692 A S H < S+ 0 0 72 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.636 82.6 94.0 -80.8 -19.3 23.1 -23.8 29.9 229 693 A E S >< S- 0 0 86 -4,-0.8 3,-1.7 -3,-0.5 6,-0.2 -0.702 87.1-119.0 -76.8 114.8 25.9 -22.1 31.6 230 694 A P T 3 S+ 0 0 99 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.268 90.2 2.6 -60.0 141.3 25.4 -22.6 35.4 231 695 A E T 3 S+ 0 0 184 1,-0.2 -4,-0.1 -4,-0.1 -3,-0.1 0.618 90.4 170.1 55.6 19.2 24.9 -19.4 37.4 232 696 A S <> - 0 0 3 -3,-1.7 4,-1.8 -6,-0.2 -1,-0.2 -0.262 43.4-132.5 -60.6 142.8 25.1 -17.3 34.3 233 697 A L H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 109.6 60.2 -57.0 -43.9 24.2 -13.6 34.7 234 698 A Y H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 103.9 47.5 -48.5 -51.6 22.1 -14.2 31.5 235 699 A S H > S+ 0 0 19 -9,-0.4 4,-2.7 -6,-0.2 -1,-0.2 0.866 110.4 53.4 -60.1 -38.9 20.0 -16.9 33.3 236 700 A Y H X S+ 0 0 107 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 110.7 45.4 -61.0 -48.3 19.6 -14.6 36.3 237 701 A L H X S+ 0 0 12 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.871 111.9 52.5 -65.2 -38.1 18.3 -11.7 34.2 238 702 A Y H >X S+ 0 0 55 -4,-2.4 3,-0.8 -5,-0.2 4,-0.7 0.967 110.3 48.1 -58.4 -53.2 15.9 -14.1 32.3 239 703 A Q H >< S+ 0 0 131 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.911 109.1 53.6 -51.9 -48.3 14.5 -15.3 35.6 240 704 A L H 3< S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.763 113.8 42.6 -59.3 -29.0 14.0 -11.7 36.9 241 705 A Q H << S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.423 93.9 106.1 -99.9 -2.3 12.1 -10.9 33.7 242 706 A S << 0 0 81 -3,-1.2 -3,-0.0 -4,-0.7 -4,-0.0 -0.467 360.0 360.0 -77.5 149.3 10.0 -14.1 33.7 243 707 A D 0 0 210 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.935 360.0 360.0 -79.3 360.0 6.3 -14.2 34.7