==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 08-NOV-10 3PIY . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.WONG . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 13.7 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 . 3 1.1 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 0 2 0 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 1 0 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 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 1 391 A G 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.9 -28.6 -7.1 1.9 2 392 A Y > - 0 0 64 1,-0.3 3,-3.3 66,-0.1 4,-0.2 0.075 360.0-162.5-107.5 23.0 -29.4 -4.9 -1.1 3 393 A G G > S+ 0 0 57 1,-0.3 3,-2.8 2,-0.2 -1,-0.3 0.026 72.8 15.3 35.2-122.0 -32.0 -7.3 -2.1 4 394 A S G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.461 123.9 63.1 -62.2 -1.9 -32.9 -6.8 -5.8 5 395 A W G < S+ 0 0 66 -3,-3.3 63,-2.9 62,-0.1 2,-0.7 0.527 73.4 109.8 -94.3 -9.9 -29.8 -4.7 -6.3 6 396 A E B < -a 68 0A 49 -3,-2.8 2,-0.3 -4,-0.2 63,-0.2 -0.570 59.0-154.2 -72.6 111.2 -27.4 -7.5 -5.6 7 397 A I - 0 0 12 61,-4.1 69,-0.1 -2,-0.7 63,-0.1 -0.634 14.1-128.5 -90.3 139.7 -25.7 -8.5 -8.8 8 398 A D > - 0 0 70 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.812 15.2-147.7 -83.4 112.1 -24.3 -12.0 -9.7 9 399 A P G > S+ 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.690 92.3 72.1 -56.6 -17.5 -20.8 -11.3 -10.9 10 400 A K G 3 S+ 0 0 179 1,-0.2 -3,-0.0 21,-0.0 -2,-0.0 0.778 86.0 63.8 -66.2 -29.2 -21.2 -14.3 -13.2 11 401 A D G < S+ 0 0 58 -3,-2.1 21,-3.0 21,-0.1 22,-0.5 0.401 90.9 92.7 -80.2 3.4 -23.6 -12.4 -15.5 12 402 A L E < -B 31 0A 17 -3,-1.2 2,-0.4 19,-0.2 19,-0.2 -0.730 52.1-168.8-103.6 146.6 -20.8 -10.0 -16.4 13 403 A T E -B 30 0A 70 17,-2.3 17,-1.6 -2,-0.3 2,-0.3 -0.988 16.3-143.2-124.3 139.5 -18.3 -9.8 -19.2 14 404 A F E +B 29 0A 70 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.799 31.3 154.9-100.4 143.4 -15.4 -7.4 -19.1 15 405 A L E + 0 0 95 13,-2.1 2,-0.4 1,-0.4 14,-0.2 0.618 54.6 15.4-137.8 -54.2 -14.4 -5.8 -22.5 16 406 A K E -B 28 0A 123 12,-1.2 12,-3.3 0, 0.0 -1,-0.4 -0.986 63.6-124.2-130.6 145.7 -12.6 -2.5 -22.5 17 407 A E E +B 27 0A 118 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.728 25.7 179.8 -79.5 134.9 -10.9 -0.4 -19.8 18 408 A L E - 0 0 85 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.692 61.4 -17.9-105.7 -27.1 -12.5 3.1 -19.6 19 409 A G E -B 26 0A 27 7,-1.5 7,-2.7 2,-0.0 -1,-0.4 -0.955 55.0-161.6-178.1 161.7 -10.4 4.7 -16.8 20 410 A T E +B 25 0A 73 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.995 11.1 168.3-160.3 136.8 -8.2 3.9 -13.9 21 411 A G - 0 0 25 3,-2.6 131,-0.3 -2,-0.3 132,-0.1 -0.712 51.9 -86.3-138.1-169.2 -6.9 5.6 -10.8 22 412 A Q S S+ 0 0 168 130,-0.3 130,-0.2 -2,-0.2 131,-0.1 0.909 126.3 35.9 -65.5 -39.5 -5.1 5.0 -7.5 23 413 A F S S- 0 0 58 128,-1.9 2,-0.3 1,-0.0 129,-0.2 0.639 124.5 -16.2 -97.0 -17.5 -8.3 4.0 -5.8 24 414 A G - 0 0 5 127,-1.2 -3,-2.6 2,-0.0 2,-0.3 -0.900 50.9-118.6-167.2-171.4 -10.3 2.2 -8.5 25 415 A V E -BC 20 41A 36 16,-2.2 16,-3.0 -2,-0.3 2,-0.5 -0.987 8.1-154.0-152.2 138.6 -11.1 1.1 -12.1 26 416 A V E -BC 19 40A 32 -7,-2.7 -8,-3.1 -2,-0.3 -7,-1.5 -0.971 18.9-178.8-116.8 121.9 -14.0 1.5 -14.6 27 417 A K E -BC 17 39A 65 12,-2.9 12,-3.1 -2,-0.5 2,-0.3 -0.898 26.5-123.5-116.2 146.9 -14.3 -1.1 -17.3 28 418 A Y E +BC 16 38A 28 -12,-3.3 -13,-2.1 -2,-0.3 -12,-1.2 -0.680 48.1 149.8 -80.2 144.8 -16.9 -1.3 -20.1 29 419 A G E -BC 14 37A 0 8,-2.5 8,-2.2 -2,-0.3 2,-0.4 -0.917 43.6-103.2-157.6-178.9 -18.9 -4.6 -20.2 30 420 A K E -BC 13 36A 59 -17,-1.6 -17,-2.3 -2,-0.3 2,-0.4 -0.959 21.6-154.9-117.0 143.4 -22.0 -6.7 -20.9 31 421 A W E >> S-BC 12 35A 38 4,-1.7 4,-1.9 -2,-0.4 3,-1.5 -0.990 83.0 -8.5-121.4 128.8 -24.4 -7.9 -18.3 32 422 A R T 34 S- 0 0 129 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.749 115.9 -79.5 44.6 36.9 -26.4 -11.1 -19.1 33 423 A G T 34 S+ 0 0 59 -22,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.545 126.3 71.9 60.0 11.8 -25.0 -10.9 -22.7 34 424 A Q T <4 S+ 0 0 117 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.768 79.2 57.0-125.4 -52.8 -27.6 -8.2 -23.4 35 425 A Y E < S-C 31 0A 108 -4,-1.9 -4,-1.7 1,-0.0 2,-0.4 -0.671 70.5-122.8-103.1 148.2 -27.1 -4.8 -21.8 36 426 A D E +C 30 0A 66 -2,-0.3 45,-1.0 -6,-0.2 2,-0.3 -0.732 40.2 172.8 -86.2 128.8 -24.2 -2.3 -22.0 37 427 A V E -CD 29 80A 0 -8,-2.2 -8,-2.5 -2,-0.4 2,-0.5 -0.949 34.0-135.3-135.5 158.4 -22.8 -1.4 -18.6 38 428 A A E -CD 28 79A 12 41,-1.8 41,-2.5 -2,-0.3 2,-0.5 -0.939 24.8-152.7-107.2 137.3 -20.0 0.4 -17.0 39 429 A I E -CD 27 78A 0 -12,-3.1 -12,-2.9 -2,-0.5 2,-0.6 -0.972 6.3-164.0-118.5 118.8 -18.4 -1.6 -14.2 40 430 A K E -CD 26 77A 39 37,-3.5 37,-2.0 -2,-0.5 2,-0.4 -0.915 7.6-168.1-111.0 108.7 -16.7 0.4 -11.4 41 431 A M E CD 25 76A 47 -16,-3.0 -16,-2.2 -2,-0.6 35,-0.2 -0.800 360.0 360.0 -96.7 137.8 -14.4 -1.6 -9.2 42 432 A I 0 0 51 33,-2.1 -1,-0.1 -2,-0.4 34,-0.1 0.785 360.0 360.0 -96.8 360.0 -12.9 -0.4 -5.8 43 ! 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 44 439 A E > 0 0 119 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -48.6 -14.8 1.3 1.1 45 440 A D H > + 0 0 120 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.894 360.0 50.0 -63.6 -42.3 -17.7 2.0 3.5 46 441 A E H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.941 104.9 58.8 -57.6 -47.7 -18.3 5.5 2.1 47 442 A F H > S+ 0 0 9 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.799 108.4 46.3 -52.4 -32.9 -18.3 4.0 -1.5 48 443 A I H X S+ 0 0 25 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.3 0.839 106.2 56.4 -80.7 -37.1 -21.2 1.9 -0.4 49 444 A E H X S+ 0 0 93 -4,-1.8 4,-1.3 -3,-0.3 -2,-0.2 0.809 106.7 52.8 -62.4 -31.0 -23.1 4.7 1.3 50 445 A E H X S+ 0 0 18 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.786 106.0 52.5 -75.7 -30.3 -22.9 6.5 -2.1 51 446 A A H X S+ 0 0 4 -4,-0.7 4,-1.3 -5,-0.2 -2,-0.2 0.861 105.5 54.4 -71.1 -36.7 -24.4 3.5 -3.9 52 447 A K H X S+ 0 0 81 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.868 107.5 51.5 -65.3 -37.4 -27.3 3.5 -1.4 53 448 A V H >< S+ 0 0 49 -4,-1.3 3,-1.9 1,-0.2 4,-0.3 0.982 107.5 50.9 -58.2 -57.6 -27.9 7.1 -2.3 54 449 A M H >< S+ 0 0 23 -4,-2.0 3,-0.8 1,-0.3 11,-0.4 0.730 101.5 64.7 -52.4 -27.3 -28.0 6.2 -6.0 55 450 A M H 3< S+ 0 0 33 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.848 103.1 47.0 -65.9 -33.9 -30.5 3.5 -5.2 56 451 A N T << S+ 0 0 129 -3,-1.9 2,-0.4 -4,-0.9 -1,-0.2 0.339 102.3 74.1 -91.2 6.6 -33.0 6.2 -4.1 57 452 A L < + 0 0 12 -3,-0.8 8,-0.3 -4,-0.3 2,-0.3 -0.982 51.5 162.6-123.9 129.6 -32.5 8.4 -7.2 58 453 A S + 0 0 70 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.855 9.4 146.7-152.4 106.1 -33.9 7.4 -10.6 59 454 A H > - 0 0 35 -2,-0.3 3,-1.7 3,-0.2 54,-0.1 -0.985 53.9-118.0-143.7 153.2 -34.4 9.8 -13.5 60 455 A E T 3 S+ 0 0 138 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.861 117.0 44.0 -58.9 -35.1 -34.2 9.7 -17.3 61 456 A K T 3 S+ 0 0 32 48,-0.1 81,-2.3 80,-0.1 2,-0.4 -0.021 98.5 85.0-105.6 29.7 -31.3 12.2 -17.3 62 457 A L B < S-f 142 0B 2 -3,-1.7 2,-0.5 79,-0.3 -3,-0.2 -0.975 91.1-102.7-122.2 142.1 -29.3 10.7 -14.4 63 458 A V - 0 0 7 79,-2.4 2,-0.3 -2,-0.4 81,-0.3 -0.517 48.2-131.5 -66.2 115.1 -26.8 7.9 -14.9 64 459 A Q - 0 0 33 -2,-0.5 16,-1.9 -4,-0.1 2,-0.3 -0.538 4.1-132.5 -83.4 130.7 -28.7 4.8 -13.6 65 460 A L E - E 0 79A 2 -11,-0.4 14,-0.3 -8,-0.3 3,-0.1 -0.599 18.0-174.2 -71.2 134.0 -27.4 2.3 -11.1 66 461 A Y E - 0 0 76 12,-3.7 2,-0.3 1,-0.4 13,-0.2 0.786 56.3 -61.5 -97.9 -40.1 -28.0 -1.4 -12.3 67 462 A G E - E 0 78A 0 11,-1.5 11,-2.2 -60,-0.1 -1,-0.4 -0.979 44.2-110.2 178.3-168.1 -26.8 -3.2 -9.2 68 463 A V E -aE 6 77A 1 -63,-2.9 -61,-4.1 -2,-0.3 2,-0.5 -0.940 7.3-144.3-140.6 155.1 -23.9 -4.0 -6.8 69 464 A C E + E 0 76A 7 7,-1.9 7,-1.1 -2,-0.3 3,-0.2 -0.858 28.8 162.5-122.6 97.5 -21.7 -6.9 -5.9 70 465 A T + 0 0 40 -2,-0.5 5,-0.1 5,-0.2 3,-0.1 0.005 58.8 67.8-106.5 30.9 -21.0 -6.7 -2.2 71 466 A K S S+ 0 0 178 1,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.576 93.1 49.7-127.8 -23.3 -19.8 -10.3 -1.4 72 467 A Q S S- 0 0 118 -3,-0.2 -1,-0.1 2,-0.2 4,-0.1 -0.878 92.1 -92.6-115.3 149.8 -16.4 -10.6 -3.2 73 468 A R S S+ 0 0 186 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.956 106.9 49.5-106.7 134.7 -13.5 -8.2 -3.1 74 469 A P S S- 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.412 92.9-137.4 -71.1 149.1 -13.1 -6.0 -5.0 75 470 A I - 0 0 19 -2,-0.1 -33,-2.1 -5,-0.1 2,-0.3 -0.542 19.7-145.4 -76.0 143.9 -16.6 -4.7 -4.7 76 471 A F E -DE 41 69A 18 -7,-1.1 -7,-1.9 -35,-0.2 2,-0.4 -0.842 16.1-164.0-113.2 144.1 -18.4 -3.6 -7.9 77 472 A I E -DE 40 68A 8 -37,-2.0 -37,-3.5 -2,-0.3 2,-0.5 -0.994 12.7-159.6-120.3 140.5 -20.9 -1.0 -9.0 78 473 A I E +DE 39 67A 0 -11,-2.2 -12,-3.7 -2,-0.4 -11,-1.5 -0.967 17.7 168.6-121.8 115.7 -22.6 -1.5 -12.3 79 474 A T E -DE 38 65A 25 -41,-2.5 -41,-1.8 -2,-0.5 -14,-0.2 -0.636 43.0 -73.8-117.7 178.5 -24.3 1.5 -14.0 80 475 A E E -D 37 0A 22 -16,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.386 53.0-113.2 -72.0 155.6 -25.7 2.3 -17.4 81 476 A Y - 0 0 54 -45,-1.0 2,-0.7 -44,-0.1 55,-0.3 -0.802 19.7-159.1 -98.7 132.6 -23.2 2.7 -20.2 82 477 A M > - 0 0 9 -2,-0.4 3,-1.7 53,-0.1 52,-0.2 -0.908 5.3-164.9-114.4 100.1 -22.7 6.1 -21.9 83 478 A A T 3 S+ 0 0 47 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.663 82.5 52.6 -67.7 -21.6 -21.1 5.4 -25.2 84 479 A N T 3 S- 0 0 54 50,-2.1 -1,-0.3 1,-0.2 51,-0.2 0.234 95.7-154.1-103.0 12.2 -20.0 9.0 -26.0 85 480 A G < + 0 0 28 -3,-1.7 49,-1.8 49,-0.4 2,-0.4 -0.204 49.2 19.4 73.7-136.5 -18.2 9.3 -22.8 86 481 A C B > -G 133 0B 33 47,-0.2 4,-3.0 1,-0.1 47,-0.2 -0.655 58.1-143.3 -89.8 128.5 -17.4 12.6 -20.9 87 482 A L H > S+ 0 0 0 45,-2.2 4,-3.0 42,-0.4 43,-0.2 0.863 102.1 55.8 -57.3 -42.9 -19.4 15.6 -21.8 88 483 A L H > S+ 0 0 24 41,-1.0 4,-1.3 44,-0.4 -1,-0.2 0.961 113.4 40.3 -48.4 -58.8 -16.4 17.9 -21.4 89 484 A N H > S+ 0 0 102 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.870 113.3 55.3 -61.1 -40.2 -14.4 15.8 -23.9 90 485 A Y H >< S+ 0 0 24 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.926 105.3 52.0 -59.5 -49.4 -17.4 15.4 -26.2 91 486 A L H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 105.2 58.0 -51.1 -38.9 -17.8 19.2 -26.4 92 487 A R H 3< S+ 0 0 111 -4,-1.3 2,-1.2 -5,-0.2 -1,-0.2 0.543 77.7 101.1 -74.9 -13.2 -14.1 19.5 -27.4 93 488 A E X< - 0 0 78 -3,-1.2 3,-1.9 -4,-0.6 4,-0.4 -0.685 53.9-168.9 -78.4 97.8 -14.5 17.3 -30.5 94 489 A M G > S+ 0 0 175 -2,-1.2 3,-0.6 1,-0.3 -1,-0.2 0.615 79.5 74.7 -57.8 -17.9 -14.6 19.9 -33.3 95 490 A R G 3 S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.619 82.6 66.7 -75.3 -14.5 -15.7 17.0 -35.6 96 491 A H G < S- 0 0 36 -3,-1.9 -1,-0.2 -6,-0.2 -2,-0.2 0.800 85.7-158.9 -74.4 -29.8 -19.2 17.0 -34.1 97 492 A R < - 0 0 216 -3,-0.6 2,-0.1 -4,-0.4 -3,-0.1 0.952 16.7-149.7 47.0 72.0 -19.8 20.4 -35.5 98 493 A F - 0 0 34 -7,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.448 8.2-142.6 -76.7 143.2 -22.6 21.2 -33.1 99 494 A Q >> - 0 0 111 -2,-0.1 4,-1.3 1,-0.1 3,-1.2 -0.804 29.9-110.9 -97.5 146.5 -25.5 23.5 -33.9 100 495 A T H 3> S+ 0 0 53 -2,-0.3 4,-2.2 1,-0.3 3,-0.4 0.843 116.9 62.2 -42.5 -42.3 -26.8 25.8 -31.2 101 496 A Q H 3> S+ 0 0 115 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.915 102.3 50.2 -53.7 -45.8 -30.0 23.7 -31.0 102 497 A Q H <> S+ 0 0 67 -3,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.816 108.7 53.9 -62.8 -33.1 -28.0 20.7 -29.9 103 498 A L H X S+ 0 0 0 -4,-1.3 4,-1.3 -3,-0.4 -1,-0.2 0.912 108.4 47.3 -66.7 -45.0 -26.3 22.8 -27.2 104 499 A L H X S+ 0 0 7 -4,-2.2 4,-3.2 2,-0.2 3,-0.3 0.919 108.7 55.2 -65.9 -43.5 -29.5 24.0 -25.7 105 500 A E H X S+ 0 0 100 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 106.1 51.8 -50.7 -45.2 -30.8 20.4 -25.7 106 501 A M H X S+ 0 0 4 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.805 110.4 49.4 -63.4 -28.9 -27.7 19.4 -23.7 107 502 A C H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.940 109.8 50.4 -73.3 -46.3 -28.6 22.3 -21.3 108 503 A K H X S+ 0 0 40 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.844 107.4 54.9 -53.6 -41.4 -32.2 21.0 -21.1 109 504 A D H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.969 113.2 39.9 -58.1 -57.3 -31.0 17.4 -20.3 110 505 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.895 114.1 55.9 -56.7 -45.3 -28.9 18.5 -17.3 111 506 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.933 106.2 48.6 -59.6 -47.3 -31.5 20.9 -16.3 112 507 A E H X S+ 0 0 37 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.876 111.7 52.0 -54.6 -41.9 -34.2 18.2 -16.1 113 508 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.951 110.1 48.1 -57.6 -49.6 -31.7 16.1 -14.1 114 509 A M H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.786 105.6 56.5 -71.4 -29.0 -31.2 19.0 -11.7 115 510 A E H X S+ 0 0 61 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.3 0.887 106.7 50.5 -68.7 -37.5 -34.9 19.7 -11.2 116 511 A Y H X S+ 0 0 43 -4,-1.6 4,-1.0 -3,-0.3 -2,-0.2 0.946 113.1 46.4 -58.2 -50.2 -35.4 16.1 -10.1 117 512 A L H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 3,-0.5 0.897 111.8 50.3 -61.6 -47.4 -32.5 16.4 -7.6 118 513 A E H ><5S+ 0 0 44 -4,-2.8 3,-2.8 1,-0.2 -1,-0.2 0.963 108.2 52.9 -50.5 -52.1 -33.8 19.7 -6.4 119 514 A S H 3<5S+ 0 0 77 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.726 110.0 49.6 -62.3 -18.6 -37.3 18.1 -5.9 120 515 A K T 3<5S- 0 0 109 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.226 113.3-121.4 -98.8 10.4 -35.6 15.4 -3.8 121 516 A Q T < 5 + 0 0 192 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.881 65.0 146.5 48.6 38.5 -33.8 18.1 -1.8 122 517 A F < - 0 0 45 -5,-2.9 2,-0.5 -6,-0.1 -1,-0.2 -0.946 38.5-151.6-105.2 124.0 -30.5 16.4 -3.0 123 518 A L - 0 0 25 -2,-0.5 58,-0.1 1,-0.1 56,-0.0 -0.841 4.1-161.4-101.2 129.8 -27.6 18.9 -3.5 124 519 A H - 0 0 15 -2,-0.5 22,-0.2 1,-0.1 -1,-0.1 0.921 5.6-170.5 -82.2 -47.8 -25.1 17.9 -6.0 125 520 A R S S+ 0 0 145 55,-0.1 -1,-0.1 1,-0.1 20,-0.1 0.131 75.1 52.6 77.6 -19.3 -22.0 20.0 -5.2 126 521 A D + 0 0 23 2,-0.1 2,-0.5 5,-0.1 5,-0.1 -0.136 63.2 155.2-137.4 50.9 -20.0 19.2 -8.3 127 522 A L + 0 0 1 41,-0.1 2,-0.3 3,-0.1 64,-0.1 -0.639 26.0 125.2 -79.9 119.8 -22.1 19.9 -11.3 128 523 A A S > S- 0 0 0 -2,-0.5 3,-0.7 1,-0.1 -40,-0.1 -0.943 74.5 -95.0-161.8 170.2 -19.8 20.5 -14.2 129 524 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.2 -41,-1.0 0.890 121.1 61.4 -63.8 -38.3 -19.2 19.2 -17.7 130 525 A R G 3 S+ 0 0 71 1,-0.3 -1,-0.2 -43,-0.2 17,-0.1 0.811 104.3 51.9 -55.8 -27.7 -16.5 16.9 -16.4 131 526 A N G < S+ 0 0 6 -3,-0.7 12,-1.9 -5,-0.1 2,-0.3 0.319 97.4 80.5 -97.7 9.7 -19.2 15.2 -14.3 132 527 A C E < - H 0 142B 0 -3,-1.9 -45,-2.2 10,-0.2 -44,-0.4 -0.805 61.0-156.1-109.4 159.9 -21.7 14.6 -17.1 133 528 A L E -GH 86 141B 29 8,-2.6 8,-2.7 -2,-0.3 2,-0.4 -0.929 6.6-142.4-133.6 156.9 -21.8 11.8 -19.7 134 529 A V E - H 0 140B 0 -49,-1.8 -50,-2.1 -2,-0.3 -49,-0.4 -0.958 16.5-144.0-123.3 131.1 -23.3 11.4 -23.2 135 530 A N > - 0 0 22 4,-2.4 3,-2.1 -2,-0.4 -53,-0.1 -0.255 41.3 -81.3 -88.0-179.2 -24.9 8.2 -24.5 136 531 A D T 3 S+ 0 0 110 -55,-0.3 -1,-0.1 1,-0.3 -54,-0.1 0.713 129.0 51.8 -50.0 -23.6 -24.9 6.7 -28.0 137 532 A Q T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.188 117.4-104.7-107.9 16.6 -27.7 9.1 -28.9 138 533 A G S < S+ 0 0 25 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.562 73.3 143.0 70.8 10.3 -26.2 12.4 -27.8 139 534 A V - 0 0 41 -30,-0.0 -4,-2.4 1,-0.0 2,-0.3 -0.664 43.7-138.3 -78.7 135.9 -28.5 12.5 -24.8 140 535 A V E - H 0 134B 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.788 21.4-177.0-106.2 140.1 -26.7 14.0 -21.7 141 536 A K E - H 0 133B 23 -8,-2.7 -8,-2.6 -2,-0.3 2,-0.3 -0.989 21.7-124.7-141.0 142.0 -27.0 12.7 -18.2 142 537 A V E -fH 62 132B 0 -81,-2.3 -79,-2.4 -2,-0.4 2,-0.7 -0.638 18.3-129.2 -88.5 140.0 -25.6 13.8 -14.8 143 538 A S - 0 0 17 -12,-1.9 4,-0.1 -2,-0.3 -79,-0.1 -0.837 15.7-141.1 -86.5 116.3 -23.6 11.5 -12.6 144 539 A D S S+ 0 0 2 -2,-0.7 2,-0.3 -81,-0.3 -1,-0.2 0.891 90.1 28.4 -39.1 -55.8 -25.2 11.7 -9.1 145 540 A F S S- 0 0 44 1,-0.1 -20,-0.1 -3,-0.1 -21,-0.0 -0.704 109.2 -80.8-103.6 159.8 -21.7 11.7 -7.7 146 541 A G > - 0 0 12 -2,-0.3 3,-1.3 -22,-0.2 -1,-0.1 -0.340 32.9-134.9 -55.4 135.3 -18.4 12.9 -9.2 147 542 A L T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -17,-0.1 5,-0.1 0.877 103.7 64.8 -58.8 -40.4 -16.9 10.4 -11.7 148 543 A S T >>>S+ 0 0 38 3,-0.1 3,-1.8 2,-0.1 4,-1.5 0.654 76.3 115.9 -53.5 -23.1 -13.5 11.0 -10.1 149 544 A R B <45S-i 153 0C 37 -3,-1.3 5,-0.1 1,-0.3 6,-0.1 -0.372 90.7 -6.8 -69.6 122.3 -14.8 9.5 -6.8 150 545 A Y T 345S+ 0 0 8 3,-1.9 -1,-0.3 -2,-0.2 -129,-0.1 0.513 127.6 72.4 67.9 9.9 -13.0 6.3 -5.8 151 546 A V T <45S- 0 0 11 -3,-1.8 -128,-1.9 2,-0.3 -127,-1.2 0.713 119.6 -3.9-103.6 -66.4 -11.1 6.2 -9.1 152 547 A L T <5S+ 0 0 95 -4,-1.5 2,-0.3 -131,-0.3 -130,-0.3 0.815 128.4 35.4 -97.8 -38.4 -8.5 9.0 -8.9 153 548 A D B - 0 0 42 -2,-0.3 4,-2.4 -5,-0.1 -1,-0.1 -0.097 32.3-113.6 -71.2 169.5 -10.4 10.0 -2.0 155 550 A E T 4 S+ 0 0 54 1,-0.2 -1,-0.1 2,-0.2 -6,-0.0 0.758 129.6 50.2 -68.6 -27.6 -13.7 10.8 -0.4 156 551 A Y T 4 S+ 0 0 173 1,-0.1 -1,-0.2 4,-0.0 3,-0.0 0.637 120.1 32.3 -73.9 -25.1 -11.2 13.0 1.5 157 552 A T T >4 S+ 0 0 48 2,-0.1 3,-1.6 5,-0.0 2,-0.6 0.780 90.2 88.8-111.3 -36.6 -9.5 14.5 -1.6 158 553 A S T 3< S+ 0 0 11 -4,-2.4 6,-0.1 1,-0.3 3,-0.1 -0.588 112.0 5.0 -67.5 112.8 -12.2 14.8 -4.4 159 554 A S T 3 S+ 0 0 36 4,-0.7 2,-0.4 -2,-0.6 -1,-0.3 0.816 108.3 108.5 73.7 35.4 -13.6 18.3 -3.8 160 555 A V S X S- 0 0 84 -3,-1.6 3,-1.7 4,-0.0 -1,-0.2 -0.992 83.9 -41.1-132.6 134.2 -11.2 19.3 -0.9 161 556 A G G > S+ 0 0 58 -2,-0.4 3,-1.7 1,-0.3 -4,-0.0 -0.318 131.0 17.3 66.9-118.9 -8.4 21.9 -1.2 162 557 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -2,-0.2 -5,-0.0 0.681 130.7 51.4 -67.1 -19.7 -6.3 21.8 -4.4 163 558 A K G < S+ 0 0 107 -3,-1.7 -4,-0.7 -6,-0.3 -1,-0.3 0.075 81.0 131.7-101.6 20.4 -9.1 19.8 -6.1 164 559 A F < - 0 0 53 -3,-1.7 2,-2.5 -5,-0.2 3,-0.3 -0.534 66.3-119.9 -77.5 136.7 -11.9 22.2 -5.1 165 560 A P > + 0 0 9 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.357 50.4 156.5 -77.1 68.0 -14.3 23.2 -7.9 166 561 A V G > + 0 0 19 -2,-2.5 3,-2.0 1,-0.2 8,-0.1 0.913 68.2 54.4 -55.1 -51.3 -13.5 27.0 -7.7 167 562 A R G 3 S+ 0 0 29 -3,-0.3 -1,-0.2 1,-0.3 36,-0.0 0.734 109.2 48.0 -63.8 -20.3 -14.6 27.8 -11.2 168 563 A W G < S+ 0 0 31 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.298 98.5 102.8 -99.4 14.6 -18.1 26.3 -10.6 169 564 A S < - 0 0 8 -3,-2.0 15,-0.1 17,-0.1 14,-0.1 -0.813 64.1-131.8-114.7 134.9 -18.6 28.1 -7.2 170 565 A P >> - 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.303 36.7-104.2 -74.9 161.9 -20.6 31.1 -6.0 171 566 A P H 3> S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.890 119.1 59.2 -51.7 -44.1 -19.0 33.9 -3.8 172 567 A E H 3> S+ 0 0 21 1,-0.2 6,-2.0 2,-0.2 4,-1.6 0.790 108.4 45.9 -59.5 -28.8 -20.7 32.6 -0.6 173 568 A V H <> S+ 0 0 6 -3,-1.0 4,-1.5 4,-0.3 -1,-0.2 0.892 112.5 48.7 -78.1 -41.1 -19.0 29.2 -1.1 174 569 A L H < S+ 0 0 47 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.890 125.9 28.2 -69.8 -34.1 -15.6 30.5 -1.9 175 570 A M H < S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.776 138.5 15.7 -94.9 -31.9 -15.6 32.9 1.1 176 571 A Y H < S- 0 0 169 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.322 90.1-116.0-129.7 4.5 -17.9 31.2 3.7 177 572 A S < + 0 0 88 -4,-1.5 2,-1.1 1,-0.2 -4,-0.3 0.860 55.6 165.2 50.8 38.4 -18.4 27.5 2.7 178 573 A K + 0 0 122 -6,-2.0 2,-0.3 -8,-0.1 -1,-0.2 -0.705 9.8 178.3 -89.3 89.3 -22.1 28.4 2.2 179 574 A F + 0 0 81 -2,-1.1 2,-0.3 -3,-0.1 -56,-0.0 -0.668 15.6 131.9 -86.8 144.2 -23.7 25.5 0.2 180 575 A S S >> S- 0 0 33 -2,-0.3 3,-2.1 63,-0.0 4,-1.1 -0.935 74.5 -75.1-171.9 177.4 -27.4 25.3 -0.7 181 576 A S H 3> S+ 0 0 51 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.753 126.0 66.8 -59.6 -25.0 -29.5 24.6 -3.7 182 577 A K H 3> S+ 0 0 36 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.634 95.5 55.4 -73.5 -13.4 -28.5 28.1 -4.9 183 578 A S H <> S+ 0 0 10 -3,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.834 105.2 51.1 -81.3 -36.3 -24.8 27.0 -5.3 184 579 A D H X S+ 0 0 5 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.910 108.8 53.5 -61.5 -39.8 -26.0 24.1 -7.6 185 580 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 107.4 50.8 -56.0 -47.8 -27.9 26.9 -9.6 186 581 A W H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.923 112.0 46.5 -55.9 -46.2 -24.6 28.9 -9.9 187 582 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.795 106.6 56.6 -73.1 -34.1 -22.7 25.9 -11.2 188 583 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.961 106.3 53.1 -55.1 -50.2 -25.4 24.9 -13.7 189 584 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 109.7 46.7 -48.4 -51.4 -25.0 28.4 -15.0 190 585 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.835 109.9 53.5 -65.3 -33.2 -21.2 27.8 -15.4 191 586 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.846 104.8 55.0 -69.8 -34.1 -21.9 24.5 -17.1 192 587 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 -3,-0.2 5,-0.3 0.956 108.0 49.4 -61.0 -47.6 -24.2 26.3 -19.6 193 588 A W H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.912 107.7 54.7 -53.4 -44.4 -21.3 28.5 -20.4 194 589 A E H <>S+ 0 0 3 -4,-1.9 5,-3.1 1,-0.2 6,-0.4 0.895 110.9 45.7 -58.7 -38.2 -19.1 25.4 -20.8 195 590 A I H ><5S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.944 112.4 48.1 -72.0 -48.4 -21.5 24.0 -23.3 196 591 A Y H 3<5S+ 0 0 2 -4,-2.9 30,-0.5 1,-0.3 -1,-0.2 0.716 113.4 49.5 -66.6 -17.9 -21.9 27.2 -25.3 197 592 A S T 3<5S- 0 0 18 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.3 0.262 114.9-115.1-104.3 10.0 -18.2 27.7 -25.4 198 593 A L T < 5S- 0 0 71 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.892 77.7 -41.5 56.6 46.5 -17.5 24.1 -26.6 199 594 A G S - 0 0 73 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.699 40.7-109.6 -76.5 125.0 -12.3 26.3 -19.1 202 597 A P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -35,-0.1 -0.277 106.0 13.3 -53.6 141.7 -14.3 29.0 -17.3 203 598 A Y T > S- 0 0 16 1,-0.1 3,-2.4 2,-0.1 8,-0.1 0.938 86.9-177.2 51.5 49.0 -12.1 32.0 -16.6 204 599 A E T < S+ 0 0 72 -3,-0.7 -1,-0.1 1,-0.3 -3,-0.1 0.650 72.2 49.5 -55.4 -22.6 -9.6 30.4 -19.0 205 600 A R T 3 S+ 0 0 225 -4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.413 104.1 73.6 -97.1 2.9 -6.9 33.0 -18.5 206 601 A F S < S- 0 0 67 -3,-2.4 2,-0.1 -4,-0.1 3,-0.0 -0.691 72.5-120.1-118.6 162.7 -6.9 33.0 -14.6 207 602 A T > - 0 0 69 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.425 40.5-102.1 -86.5 171.6 -5.9 30.9 -11.7 208 603 A N H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.940 125.1 49.8 -54.5 -46.3 -8.3 29.5 -9.1 209 604 A S H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 111.8 46.4 -58.6 -46.8 -7.1 32.4 -6.7 210 605 A E H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.827 112.0 51.4 -69.1 -32.4 -7.6 35.1 -9.3 211 606 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.894 108.9 52.1 -66.8 -41.3 -11.0 33.6 -10.2 212 607 A A H X S+ 0 0 32 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.943 113.7 42.6 -61.0 -47.6 -11.9 33.7 -6.5 213 608 A E H X S+ 0 0 116 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.941 115.6 48.6 -62.3 -49.0 -11.0 37.4 -6.2 214 609 A H H <>S+ 0 0 54 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.787 110.2 50.3 -66.4 -32.2 -12.6 38.4 -9.5 215 610 A I H ><5S+ 0 0 2 -4,-2.1 3,-2.1 3,-0.2 -1,-0.2 0.903 107.7 54.6 -64.9 -47.0 -15.9 36.6 -8.7 216 611 A A H 3<5S+ 0 0 56 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.634 105.1 54.5 -63.0 -18.4 -16.0 38.3 -5.3 217 612 A Q T 3<5S- 0 0 146 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.168 125.6-102.8 -99.1 13.7 -15.7 41.6 -7.2 218 613 A G T < 5 + 0 0 41 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.714 67.6 155.0 69.9 20.4 -18.7 40.8 -9.3 219 614 A L < - 0 0 54 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.650 23.3-166.5 -72.2 134.3 -16.8 39.8 -12.4 220 615 A R - 0 0 41 -2,-0.3 2,-0.1 1,-0.0 16,-0.0 -0.848 25.4 -90.2-120.8 161.5 -18.8 37.4 -14.5 221 616 A L - 0 0 7 -2,-0.3 2,-0.0 1,-0.1 -1,-0.0 -0.423 47.4-113.5 -63.0 138.3 -18.2 35.1 -17.5 222 617 A Y - 0 0 105 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.282 34.2 -93.1 -71.7 159.0 -18.7 36.6 -20.9 223 618 A R - 0 0 89 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.651 45.0-123.2 -74.7 116.9 -21.4 35.5 -23.3 224 619 A P > - 0 0 3 0, 0.0 3,-2.3 0, 0.0 -27,-0.1 -0.408 21.6-114.2 -58.6 140.4 -20.0 32.8 -25.5 225 620 A H T 3 S+ 0 0 185 1,-0.3 -28,-0.1 -2,-0.1 -2,-0.0 0.848 116.4 51.5 -41.2 -51.4 -20.2 33.6 -29.2 226 621 A L T 3 S+ 0 0 71 -30,-0.5 2,-0.5 2,-0.0 -1,-0.3 0.591 92.5 95.7 -65.4 -14.9 -22.7 30.8 -29.9 227 622 A A < - 0 0 1 -3,-2.3 2,-0.0 -31,-0.1 -4,-0.0 -0.727 68.2-144.7 -85.4 119.4 -24.9 32.0 -27.1 228 623 A S > - 0 0 31 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.322 30.7-104.0 -69.7 164.4 -27.8 34.3 -28.0 229 624 A E H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 123.7 52.3 -56.3 -41.2 -28.9 37.2 -25.6 230 625 A K H > S+ 0 0 109 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.941 112.3 45.3 -61.8 -47.0 -31.9 35.1 -24.5 231 626 A V H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.902 113.3 49.1 -63.7 -40.9 -29.7 32.1 -23.8 232 627 A Y H X S+ 0 0 42 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.853 102.9 61.4 -68.3 -35.7 -27.1 34.2 -22.0 233 628 A T H X S+ 0 0 95 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.881 103.0 53.9 -54.6 -38.3 -29.8 35.9 -19.9 234 629 A I H X S+ 0 0 8 -4,-1.2 4,-0.6 -3,-0.3 -2,-0.2 0.933 112.8 37.8 -65.2 -50.0 -30.5 32.5 -18.6 235 630 A M H >< S+ 0 0 0 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.845 115.4 54.9 -73.2 -36.3 -27.0 31.5 -17.4 236 631 A Y H >< S+ 0 0 113 -4,-3.0 3,-3.8 1,-0.2 -1,-0.2 0.934 97.6 62.9 -58.7 -45.8 -26.3 35.0 -16.2 237 632 A S H >< S+ 0 0 38 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.763 97.6 61.6 -51.7 -26.1 -29.5 34.8 -14.0 238 633 A C T << S+ 0 0 0 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.522 96.9 58.5 -74.6 -11.7 -27.6 32.0 -12.2 239 634 A W T < + 0 0 1 -3,-3.8 -1,-0.2 -4,-0.1 -2,-0.2 0.088 65.2 142.6-113.5 26.6 -24.8 34.3 -11.1 240 635 A H < - 0 0 83 -3,-0.8 6,-0.1 1,-0.2 5,-0.1 -0.443 54.3-132.8 -63.0 138.6 -26.7 36.9 -9.1 241 636 A E S S+ 0 0 134 -71,-0.1 2,-0.7 4,-0.1 -69,-0.2 0.763 95.0 70.7 -65.0 -30.2 -24.5 37.8 -6.1 242 637 A K S > S- 0 0 121 1,-0.1 3,-1.5 -70,-0.0 4,-0.3 -0.847 80.3-148.4 -88.0 116.5 -27.5 37.4 -3.8 243 638 A A G > S+ 0 0 25 -2,-0.7 3,-1.8 1,-0.3 -1,-0.1 0.857 92.2 54.9 -57.1 -41.9 -28.2 33.7 -3.6 244 639 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.580 98.2 65.8 -73.7 -6.1 -32.0 34.0 -3.2 245 640 A E G < S+ 0 0 104 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.558 82.5 96.7 -86.1 -10.6 -32.2 36.1 -6.3 246 641 A R S < S- 0 0 5 -3,-1.8 -8,-0.2 -4,-0.3 -9,-0.1 -0.536 81.1-110.8 -80.8 145.0 -31.2 33.1 -8.4 247 642 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.126 25.4-115.4 -64.8 169.4 -33.9 31.1 -10.1 248 643 A T > - 0 0 43 1,-0.0 4,-2.1 -63,-0.0 5,-0.1 -0.498 31.0-106.8 -87.4 170.6 -34.9 27.5 -9.1 249 644 A F H > S+ 0 0 2 2,-0.2 4,-1.8 -2,-0.2 -134,-0.2 0.728 122.1 59.8 -67.8 -25.0 -34.4 24.6 -11.6 250 645 A K H > S+ 0 0 159 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.958 109.6 42.5 -63.1 -48.6 -38.2 24.6 -12.1 251 646 A I H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.957 114.7 49.2 -62.3 -58.1 -38.0 28.2 -13.3 252 647 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.782 107.6 53.0 -48.4 -45.6 -34.8 27.7 -15.5 253 648 A L H X S+ 0 0 27 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.935 109.9 49.1 -62.0 -42.4 -36.1 24.6 -17.3 254 649 A S H X S+ 0 0 56 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.893 111.9 50.5 -65.8 -35.9 -39.2 26.6 -18.2 255 650 A N H X S+ 0 0 54 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 110.9 47.3 -60.8 -45.4 -36.9 29.4 -19.4 256 651 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.938 110.8 51.6 -66.0 -44.8 -34.8 26.9 -21.5 257 652 A L H X S+ 0 0 71 -4,-3.3 4,-1.6 1,-0.2 5,-0.2 0.964 109.2 52.1 -55.2 -49.1 -38.0 25.4 -23.0 258 653 A D H >X S+ 0 0 84 -4,-2.4 4,-1.4 1,-0.2 3,-0.7 0.919 109.9 46.4 -50.5 -55.1 -39.1 29.0 -23.9 259 654 A V H 3X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 3,-0.5 0.905 109.8 56.3 -51.8 -45.7 -35.9 29.9 -25.7 260 655 A M H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.4 47.3 -61.0 -32.9 -36.0 26.6 -27.5 261 656 A D H << S+ 0 0 141 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.749 116.7 44.9 -78.3 -25.3 -39.5 27.4 -28.9 262 657 A E H < 0 0 119 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.763 360.0 360.0 -84.9 -30.2 -38.3 30.9 -30.0 263 658 A E < 0 0 106 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.061 360.0 360.0-116.1 360.0 -35.0 30.0 -31.6