==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE/INHIBITOR 27-JAN-11 3QIN . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR E.B.LANSDON,T.A.KIRSCHBERG . 137 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 10 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 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 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 1 426 A M 0 0 40 0, 0.0 106,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.7 14.0 7.3 3.0 2 427 A Y + 0 0 190 1,-0.3 2,-0.3 104,-0.1 103,-0.1 0.463 360.0 32.4-121.3 -8.8 14.2 3.5 3.0 3 428 A Q S S- 0 0 94 102,-0.1 107,-0.4 86,-0.0 -1,-0.3 -0.996 81.7-111.4-147.3 151.0 15.9 2.9 6.3 4 429 A L - 0 0 36 -2,-0.3 107,-0.2 1,-0.1 2,-0.1 -0.428 40.6 -99.8 -78.9 152.5 15.9 4.6 9.7 5 430 A E - 0 0 60 105,-2.8 107,-0.4 1,-0.1 -1,-0.1 -0.389 17.0-143.7 -67.8 148.8 19.0 6.5 11.0 6 431 A K S S+ 0 0 201 1,-0.1 -1,-0.1 105,-0.1 105,-0.1 0.663 84.3 24.2 -86.1 -18.9 21.2 4.7 13.5 7 432 A E S S- 0 0 134 1,-0.0 -1,-0.1 106,-0.0 -2,-0.0 -0.949 100.3 -72.5-144.3 161.7 21.9 7.9 15.4 8 433 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.154 49.5-114.7 -55.6 143.6 20.3 11.4 15.9 9 434 A I > - 0 0 16 4,-0.1 3,-1.7 102,-0.1 2,-0.1 -0.738 28.6-127.1 -84.6 115.8 20.3 13.8 13.0 10 435 A V T 3 S+ 0 0 144 -2,-0.7 3,-0.1 1,-0.3 -1,-0.0 -0.424 91.6 11.9 -61.7 129.7 22.5 16.8 13.8 11 436 A G T 3 S+ 0 0 66 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.554 98.3 122.9 81.1 8.0 20.6 20.0 13.2 12 437 A A S < S- 0 0 9 -3,-1.7 -1,-0.3 1,-0.1 56,-0.2 -0.833 70.8-101.6-103.0 144.5 17.2 18.4 12.8 13 438 A E - 0 0 10 54,-0.5 56,-2.4 -2,-0.4 2,-0.5 -0.308 33.8-141.6 -58.2 139.5 14.2 19.2 15.0 14 439 A T E -a 69 0A 19 54,-0.2 21,-1.8 56,-0.1 2,-0.5 -0.939 12.4-160.3-111.5 121.1 13.5 16.7 17.7 15 440 A F E -aB 70 34A 0 54,-2.9 56,-3.1 -2,-0.5 2,-0.7 -0.885 6.0-156.8-103.3 122.1 9.9 15.8 18.5 16 441 A Y E -aB 71 33A 54 17,-3.3 17,-1.9 -2,-0.5 2,-0.3 -0.908 24.4-168.9 -95.0 117.7 9.0 14.2 21.8 17 442 A V E + B 0 32A 0 54,-2.2 56,-0.4 -2,-0.7 2,-0.3 -0.729 15.7 155.2-109.6 154.6 5.7 12.4 21.2 18 443 A D E - B 0 31A 5 13,-1.7 13,-2.0 -2,-0.3 2,-0.3 -0.973 17.8-157.3-165.1 166.2 3.2 10.9 23.5 19 444 A G E - B 0 30A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.978 2.6-169.4-145.3 159.0 -0.5 9.9 23.8 20 445 A A E - B 0 29A 5 9,-2.1 9,-2.9 -2,-0.3 2,-0.3 -0.987 8.7-176.7-145.0 147.2 -3.0 9.2 26.5 21 446 A A E - B 0 28A 13 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.992 29.1-116.8-146.1 153.2 -6.5 7.7 26.3 22 447 A N > - 0 0 40 5,-3.0 4,-2.4 -2,-0.3 5,-0.2 -0.812 22.4-143.6 -91.7 122.5 -9.4 6.9 28.6 23 448 A R T 4 S+ 0 0 210 -2,-0.5 -1,-0.1 1,-0.2 26,-0.0 0.820 95.1 35.0 -56.3 -39.5 -10.1 3.2 28.7 24 449 A E T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.910 125.1 35.8 -82.6 -47.1 -13.9 3.5 28.9 25 450 A T T 4 S- 0 0 86 2,-0.1 21,-0.5 1,-0.0 -2,-0.2 0.709 89.3-139.5 -85.1 -22.0 -14.7 6.6 26.7 26 451 A K < + 0 0 73 -4,-2.4 21,-3.2 1,-0.3 2,-0.3 0.619 55.7 139.5 67.6 12.5 -12.0 6.0 24.1 27 452 A L + 0 0 64 18,-0.2 -5,-3.0 -5,-0.2 -1,-0.3 -0.690 26.6 161.9 -78.0 140.2 -11.4 9.7 24.1 28 453 A G E -BC 21 44A 0 16,-2.4 16,-2.8 -2,-0.3 2,-0.4 -0.913 33.2-129.4-149.1 175.9 -7.6 10.4 23.9 29 454 A K E -BC 20 43A 49 -9,-2.9 -9,-2.1 -2,-0.3 2,-0.4 -0.989 13.4-170.4-130.9 145.6 -5.0 13.0 23.1 30 455 A A E +BC 19 42A 0 12,-2.2 12,-2.8 -2,-0.4 2,-0.3 -0.981 25.6 141.7-128.4 145.1 -1.9 12.8 20.9 31 456 A G E -BC 18 41A 0 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.3 -0.973 31.3-141.7-167.6 176.0 0.7 15.4 20.8 32 457 A Y E -BC 17 40A 6 8,-2.1 8,-2.0 -2,-0.3 2,-0.4 -0.978 1.7-160.2-145.7 157.4 4.3 16.5 20.6 33 458 A V E -BC 16 39A 4 -17,-1.9 -17,-3.3 -2,-0.3 2,-0.3 -0.983 23.2-155.1-130.8 145.4 6.7 19.1 22.0 34 459 A T E > -B 15 0A 12 4,-2.5 3,-1.6 -2,-0.4 -19,-0.2 -0.785 29.6-115.6-121.0 164.4 9.9 19.9 20.2 35 460 A N T 3 S+ 0 0 95 -21,-1.8 -20,-0.1 -2,-0.3 -1,-0.1 0.390 113.8 63.1 -76.1 5.7 13.4 21.2 20.9 36 461 A R T 3 S- 0 0 153 -22,-0.2 -1,-0.3 2,-0.2 -21,-0.1 0.198 123.1-101.5-109.4 12.8 12.6 24.2 18.8 37 462 A G S < S+ 0 0 66 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.645 77.8 132.9 86.0 17.5 9.8 25.2 21.2 38 463 A R - 0 0 96 2,-0.0 -4,-2.5 0, 0.0 2,-0.3 -0.782 28.6-179.1-101.6 146.1 6.7 24.0 19.2 39 464 A Q E +C 33 0A 116 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.987 5.7 178.2-139.7 149.9 3.9 22.0 20.7 40 465 A K E -C 32 0A 73 -8,-2.0 -8,-2.1 -2,-0.3 2,-0.4 -0.984 2.1-178.6-148.7 141.0 0.7 20.5 19.3 41 466 A V E -C 31 0A 52 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.998 4.3-170.5-137.1 141.4 -2.1 18.4 20.9 42 467 A V E -C 30 0A 49 -12,-2.8 -12,-2.2 -2,-0.4 2,-0.4 -0.962 18.2-133.4-128.3 148.3 -5.1 17.0 19.2 43 468 A T E -C 29 0A 85 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.854 26.7-168.8-102.2 135.1 -8.1 15.3 20.8 44 469 A L E -C 28 0A 40 -16,-2.8 -16,-2.4 -2,-0.4 2,-0.3 -0.866 11.8-145.4-125.5 156.4 -9.3 12.0 19.3 45 470 A T S S+ 0 0 116 -2,-0.3 -18,-0.2 -18,-0.2 -19,-0.1 -0.798 78.2 22.5-114.8 161.6 -12.4 9.8 19.7 46 471 A D S S+ 0 0 103 -21,-0.5 2,-0.2 -2,-0.3 -1,-0.2 0.925 96.9 131.4 52.8 49.0 -12.7 6.0 19.5 47 472 A T - 0 0 1 -21,-3.2 2,-0.3 -3,-0.2 -1,-0.2 -0.750 44.7-149.7-129.7 174.6 -9.0 5.6 20.4 48 473 A T > - 0 0 50 -2,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.831 38.9 -97.2-136.8 169.4 -6.7 3.7 22.7 49 474 A N H > S+ 0 0 95 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.964 126.1 47.5 -55.0 -50.7 -3.4 4.3 24.4 50 475 A Q H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 112.4 49.0 -56.5 -43.0 -1.6 2.4 21.6 51 476 A K H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 106.8 54.8 -69.6 -37.5 -3.5 4.3 18.9 52 477 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.841 105.3 54.9 -62.0 -32.7 -2.8 7.7 20.4 53 478 A E H X S+ 0 0 19 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.913 110.5 44.2 -68.7 -43.7 0.9 6.9 20.4 54 479 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.887 111.6 54.0 -64.1 -41.6 0.8 6.2 16.6 55 480 A Q H X S+ 0 0 31 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.876 105.9 53.4 -61.5 -35.3 -1.3 9.2 16.0 56 481 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.890 108.2 49.2 -64.6 -40.8 1.3 11.4 17.8 57 482 A I H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.904 108.6 54.2 -66.2 -38.8 4.1 10.0 15.5 58 483 A Y H X S+ 0 0 75 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.941 108.3 49.0 -57.0 -48.7 1.9 10.8 12.6 59 484 A L H X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.894 109.9 51.2 -59.3 -44.3 1.6 14.4 13.7 60 485 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.898 112.4 46.1 -60.4 -44.7 5.3 14.7 14.2 61 486 A L H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.2 50.6 -61.7 -41.5 5.9 13.4 10.6 62 487 A Q H < S+ 0 0 100 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 117.3 37.6 -63.8 -39.1 3.3 15.7 9.2 63 488 A D H < S+ 0 0 32 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.554 101.3 86.2 -95.7 -9.9 4.6 18.8 10.9 64 489 A S S < S- 0 0 15 -4,-1.2 4,-0.1 -5,-0.2 -50,-0.0 -0.445 75.8-110.7 -90.9 165.0 8.4 18.3 10.6 65 490 A G - 0 0 46 2,-0.4 -1,-0.1 -2,-0.1 43,-0.0 -0.067 52.6 -74.7 -77.7-173.1 10.8 19.0 7.8 66 491 A L S S+ 0 0 91 41,-0.1 42,-2.3 42,-0.1 43,-1.8 0.700 122.7 48.4 -63.3 -23.0 12.5 16.5 5.6 67 492 A E E S+ d 0 109A 66 41,-0.2 -54,-0.5 40,-0.2 -2,-0.4 -0.984 75.7 163.5-116.6 132.8 14.9 15.5 8.4 68 493 A V E - d 0 110A 0 41,-1.8 43,-2.2 -2,-0.4 2,-0.5 -0.998 32.8-147.3-153.4 141.4 13.5 14.7 11.8 69 494 A N E -ad 14 111A 5 -56,-2.4 -54,-2.9 -2,-0.3 2,-0.4 -0.939 21.4-168.6-103.7 131.5 14.3 13.1 15.1 70 495 A I E -ad 15 112A 1 41,-3.1 43,-2.7 -2,-0.5 2,-0.6 -0.989 5.0-165.1-127.3 127.7 11.4 11.5 16.9 71 496 A V E +ad 16 113A 14 -56,-3.1 -54,-2.2 -2,-0.4 2,-0.3 -0.957 13.2 175.2-118.2 114.2 11.5 10.3 20.5 72 497 A T E - d 0 114A 0 41,-2.9 43,-2.1 -2,-0.6 -54,-0.1 -0.800 29.4-158.1-113.2 154.8 8.8 8.0 21.7 73 498 A D + 0 0 18 -56,-0.4 2,-0.7 -2,-0.3 44,-0.4 0.320 64.0 109.5-108.1 5.8 8.3 6.2 25.1 74 499 A S > - 0 0 13 1,-0.2 4,-2.1 42,-0.1 5,-0.2 -0.727 49.4-167.7 -89.1 113.0 5.9 3.6 23.5 75 500 A Q H > S+ 0 0 162 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.898 92.9 50.3 -56.7 -44.2 7.3 0.1 23.2 76 501 A Y H > S+ 0 0 47 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.951 108.7 48.3 -64.1 -50.1 4.3 -0.7 21.0 77 502 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.939 117.3 42.1 -60.1 -45.9 4.7 2.2 18.6 78 503 A L H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.913 116.5 48.8 -66.1 -42.3 8.4 1.6 18.1 79 504 A G H X S+ 0 0 37 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.953 112.9 45.4 -62.5 -49.3 8.0 -2.1 17.8 80 505 A I H < S+ 0 0 32 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.891 116.3 45.1 -66.5 -39.6 5.1 -2.1 15.3 81 506 A I H >X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.3 3,-1.6 0.930 114.2 49.1 -67.7 -45.9 6.8 0.6 13.1 82 79 A T H 3X S+ 0 0 60 -4,-2.4 4,-2.0 1,-0.3 5,-0.4 0.884 101.5 63.4 -58.6 -38.8 10.2 -1.2 13.2 83 80 A Q H 3< S+ 0 0 139 -4,-2.5 -1,-0.3 -5,-0.2 4,-0.2 0.619 106.7 48.6 -63.6 -7.7 8.4 -4.4 12.4 84 81 A W H <> S+ 0 0 62 -3,-1.6 4,-2.5 -4,-0.2 5,-0.3 0.889 106.7 47.8 -96.0 -56.1 7.6 -2.7 9.1 85 82 A I H X S+ 0 0 31 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.894 117.7 44.2 -54.5 -42.7 10.9 -1.2 7.9 86 83 A H H < S+ 0 0 140 -4,-2.0 -1,-0.2 2,-0.2 3,-0.2 0.877 107.3 62.4 -69.4 -36.5 12.7 -4.5 8.5 87 84 A N H 4 S+ 0 0 98 -5,-0.4 -2,-0.2 -4,-0.2 -1,-0.2 0.950 110.3 36.7 -56.5 -52.6 9.8 -6.4 6.9 88 85 A W H < 0 0 204 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.633 360.0 360.0 -86.3 -0.4 10.3 -4.7 3.6 89 86 A K < 0 0 192 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.846 360.0 360.0 -64.6 360.0 14.0 -4.7 3.8 90 ! 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 91 98 A V 0 0 178 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -31.7 -3.9 -6.6 11.8 92 99 A K + 0 0 122 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.942 360.0 1.0-118.0 134.0 -4.7 -3.9 14.4 93 100 A N S > S+ 0 0 31 -2,-0.4 4,-2.3 3,-0.1 -1,-0.2 0.784 88.3 151.5 59.2 28.0 -4.3 -0.2 13.7 94 101 A V H > + 0 0 58 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.902 62.5 48.7 -58.3 -50.4 -3.2 -1.4 10.3 95 102 A D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.959 112.5 48.7 -54.6 -53.6 -4.3 1.6 8.4 96 517 A L H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 110.1 50.9 -60.3 -41.2 -2.6 4.0 10.7 97 518 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.918 112.1 46.6 -60.0 -45.9 0.7 2.1 10.7 98 519 A N H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.841 109.7 54.4 -71.1 -31.0 0.8 2.0 6.9 99 520 A Q H X S+ 0 0 79 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.835 108.3 49.9 -66.2 -36.2 -0.1 5.7 6.7 100 521 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.919 110.4 49.2 -65.7 -43.1 2.9 6.4 9.0 101 522 A I H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 107.5 56.2 -63.1 -36.3 5.1 4.3 6.7 102 523 A E H < S+ 0 0 120 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.853 111.7 42.1 -63.2 -37.1 3.7 6.3 3.8 103 524 A Q H >X S+ 0 0 21 -4,-1.5 3,-0.9 -3,-0.2 4,-0.5 0.881 110.7 58.2 -71.3 -45.4 4.9 9.5 5.5 104 525 A L H >< S+ 0 0 5 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.903 99.7 54.9 -54.0 -47.4 8.2 8.0 6.5 105 526 A I T 3< S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.741 102.0 58.8 -65.7 -20.7 9.4 7.1 3.1 106 527 A K T <4 S+ 0 0 154 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.628 89.2 92.2 -81.7 -12.6 8.9 10.6 1.8 107 528 A K S << S- 0 0 20 -3,-1.6 -40,-0.2 -4,-0.5 3,-0.1 -0.338 73.4-137.9 -75.7 160.3 11.4 12.0 4.4 108 529 A E S S- 0 0 116 -42,-2.3 2,-0.3 1,-0.3 -41,-0.2 0.910 86.0 -1.0 -79.3 -47.5 15.1 12.4 3.7 109 530 A K E -d 67 0A 83 -43,-1.8 -41,-1.8 -108,-0.1 2,-0.4 -0.997 63.0-174.6-143.9 139.2 16.2 11.1 7.1 110 531 A V E -d 68 0A 0 -107,-0.4 -105,-2.8 -2,-0.3 2,-0.5 -0.982 6.8-168.4-136.7 126.7 14.4 9.9 10.2 111 532 A Y E -d 69 0A 52 -43,-2.2 -41,-3.1 -2,-0.4 2,-0.5 -0.959 11.1-173.1-106.3 123.4 15.8 8.9 13.5 112 533 A L E +d 70 0A 19 -2,-0.5 2,-0.3 -107,-0.4 -41,-0.2 -0.981 10.6 174.3-120.6 121.5 13.2 7.2 15.7 113 534 A A E -d 71 0A 16 -43,-2.7 -41,-2.9 -2,-0.5 2,-0.4 -0.919 22.8-137.3-130.1 153.0 14.2 6.4 19.3 114 535 A W E +d 72 0A 111 -2,-0.3 -41,-0.2 -43,-0.2 -43,-0.0 -0.874 18.7 178.6-107.9 140.9 12.7 5.0 22.5 115 536 A V - 0 0 28 -43,-2.1 2,-0.2 -2,-0.4 -40,-0.0 -0.956 37.9 -95.2-133.4 154.2 13.1 6.4 25.9 116 537 A P > - 0 0 39 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.462 42.1-115.0 -70.9 139.0 11.5 5.1 29.2 117 538 A A T 3 S+ 0 0 41 -44,-0.4 8,-0.0 1,-0.2 -45,-0.0 -0.373 90.1 12.6 -67.7 146.8 8.4 6.8 30.3 118 539 A H T 3 S+ 0 0 105 1,-0.1 -1,-0.2 3,-0.1 -45,-0.0 0.817 86.4 118.4 58.5 39.7 8.3 8.8 33.6 119 540 A K S < S- 0 0 158 -3,-0.7 -1,-0.1 2,-0.1 3,-0.1 -0.015 90.3 -96.8-122.2 25.0 12.0 8.9 34.1 120 541 A G + 0 0 56 1,-0.3 2,-0.6 2,-0.1 -3,-0.1 0.679 63.5 159.2 73.8 19.7 12.5 12.7 33.9 121 542 A I > - 0 0 51 -5,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.705 41.5-134.8 -72.8 118.6 13.5 13.1 30.3 122 543 A G H > S+ 0 0 44 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.849 96.2 38.5 -47.2 -60.3 12.6 16.7 29.8 123 544 A G H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 117.2 52.9 -61.3 -41.0 10.8 16.7 26.5 124 545 A N H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 108.4 48.4 -63.6 -45.0 9.1 13.4 27.3 125 546 A E H X S+ 0 0 56 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.906 110.4 53.4 -62.1 -39.9 7.7 14.7 30.6 126 547 A Q H X S+ 0 0 105 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.937 111.8 42.5 -62.1 -49.1 6.4 17.9 29.0 127 548 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.895 111.4 56.3 -67.8 -36.2 4.5 16.1 26.2 128 549 A D H X S+ 0 0 12 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.933 106.3 51.0 -58.8 -43.3 3.2 13.5 28.7 129 550 A K H X S+ 0 0 158 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.908 111.4 48.9 -59.4 -42.4 1.8 16.3 30.9 130 551 A L H < S+ 0 0 53 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.914 115.0 40.5 -64.2 -47.9 0.0 17.8 27.8 131 552 A V H < S+ 0 0 0 -4,-2.5 -111,-0.2 1,-0.2 -1,-0.2 0.761 113.9 51.7 -79.2 -21.7 -1.6 14.7 26.5 132 553 A S H >X S+ 0 0 12 -4,-1.9 4,-2.9 -5,-0.3 3,-2.2 0.669 80.6 111.4 -90.4 -13.2 -2.7 13.2 29.9 133 554 A A T 3< S+ 0 0 50 -4,-0.9 4,-0.1 1,-0.3 -113,-0.1 -0.404 95.6 0.9 -63.4 124.4 -4.4 16.4 31.0 134 555 A G T 34 S+ 0 0 80 2,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.520 133.2 63.7 75.1 4.1 -8.2 15.8 31.2 135 556 A I T <4 S+ 0 0 14 -3,-2.2 2,-0.6 1,-0.3 -2,-0.2 0.677 91.2 54.3-120.6 -53.4 -7.6 12.2 30.1 136 557 A R < - 0 0 104 -4,-2.9 -2,-0.3 1,-0.2 -1,-0.3 -0.797 62.1-160.6 -93.9 122.6 -5.5 10.4 32.7 137 558 A K 0 0 195 -2,-0.6 -1,-0.2 1,-0.3 -3,-0.1 0.998 360.0 360.0 -61.8 -69.7 -7.0 10.5 36.2 138 559 A V 0 0 157 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.973 360.0 360.0-135.0 360.0 -3.8 9.7 38.2