==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 20-DEC-07 3BQD . COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.E.XU . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.4 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 . 1 0.4 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 . 9 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 53.8 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 1 1 0 0 1 0 0 0 1 0 0 0 2 0 0 0 0 1 0 0 1 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 525 A L > 0 0 191 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.7 24.7 53.3 -21.5 2 526 A P T 3 + 0 0 76 0, 0.0 2,-4.6 0, 0.0 3,-0.4 0.852 360.0 71.4 -47.7-101.8 26.3 49.9 -20.7 3 527 A Q T 3 S+ 0 0 166 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.301 93.4 65.3 15.3 -39.6 25.9 49.3 -16.9 4 528 A L S < S+ 0 0 156 -2,-4.6 -1,-0.3 -3,-1.0 0, 0.0 0.312 92.4 67.4 -80.1 3.0 22.2 48.8 -17.6 5 529 A T S S- 0 0 102 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.850 92.2-133.6-128.7 92.8 23.1 45.7 -19.6 6 530 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.084 17.5-160.2 -48.6 136.2 24.4 43.1 -17.1 7 531 A T > - 0 0 69 -4,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.857 32.0-113.0-116.8 154.2 27.6 41.1 -17.8 8 532 A L H > S+ 0 0 41 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.912 120.3 46.3 -53.8 -42.5 28.5 37.9 -16.1 9 533 A V H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 108.2 52.9 -68.5 -42.9 31.4 39.7 -14.4 10 534 A S H > S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.835 110.5 50.8 -62.6 -28.8 29.3 42.8 -13.3 11 535 A L H X S+ 0 0 56 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.873 105.8 53.6 -75.7 -34.8 26.9 40.3 -11.7 12 536 A L H X S+ 0 0 1 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.854 105.2 57.4 -65.4 -32.4 29.7 38.5 -9.8 13 537 A E H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 108.6 43.8 -67.2 -36.2 30.7 41.9 -8.5 14 538 A V H < S+ 0 0 112 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.771 109.0 53.8 -84.0 -25.9 27.3 42.6 -6.9 15 539 A I H < S+ 0 0 34 -4,-1.7 -1,-0.2 41,-0.1 -2,-0.2 0.594 76.4 122.9 -83.5 -5.2 26.6 39.2 -5.3 16 540 A E S < S- 0 0 32 -4,-0.6 34,-0.1 -3,-0.2 -3,-0.0 -0.350 74.4-113.1 -54.4 115.0 30.0 39.4 -3.5 17 541 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.190 34.3-110.1 -53.0 143.0 29.0 39.0 0.1 18 542 A E - 0 0 162 1,-0.1 2,-0.2 -3,-0.1 31,-0.0 -0.304 42.7 -79.8 -74.3 161.9 29.6 42.1 2.2 19 543 A V - 0 0 54 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.384 45.0-142.7 -64.5 128.8 32.3 42.4 4.8 20 544 A L - 0 0 26 79,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.642 5.4-137.6 -93.6 153.0 31.5 40.8 8.2 21 545 A Y - 0 0 141 -2,-0.2 3,-0.1 79,-0.2 79,-0.0 -0.814 17.0-126.4-106.1 148.1 32.5 42.2 11.6 22 546 A A - 0 0 24 -2,-0.3 2,-1.4 1,-0.2 -1,-0.1 0.618 27.4-130.5 -71.9 -13.6 33.8 39.9 14.3 23 547 A G - 0 0 56 19,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.722 49.2-167.1 96.7 -79.1 31.4 41.0 17.1 24 548 A Y - 0 0 171 -2,-1.4 79,-0.0 1,-0.2 -3,-0.0 -0.822 54.3-150.4 114.1-144.0 34.4 41.4 19.4 25 549 A D - 0 0 113 -2,-0.3 3,-0.2 3,-0.0 -1,-0.2 0.487 46.9-159.2 110.9 53.4 35.4 41.9 23.0 26 550 A S + 0 0 73 1,-0.3 -2,-0.0 -3,-0.2 -3,-0.0 0.354 69.0 101.5 -47.6 -7.7 38.2 43.6 21.1 27 551 A S S S- 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.363 77.5-158.5 -65.5 13.6 40.9 43.5 23.9 28 552 A V - 0 0 40 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.587 9.1-117.6 2.5 121.7 41.9 40.6 21.5 29 553 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 80,-0.0 0.075 13.0-137.9 -73.9 177.7 44.1 38.0 23.3 30 554 A D S S+ 0 0 121 5,-0.0 2,-0.5 4,-0.0 3,-0.1 0.474 71.1 106.7-109.4 -18.9 47.4 36.4 23.3 31 555 A S >> - 0 0 40 1,-0.2 4,-1.9 2,-0.1 3,-0.7 -0.592 63.1-148.7 -74.2 122.3 46.3 32.9 23.8 32 556 A T H 3> S+ 0 0 5 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.838 97.6 58.5 -53.7 -36.6 46.7 31.0 20.6 33 557 A W H 3> S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.804 103.9 48.1 -67.1 -34.1 43.7 28.9 21.7 34 558 A R H <> S+ 0 0 149 -3,-0.7 4,-3.3 2,-0.2 5,-0.3 0.927 108.2 55.2 -72.7 -45.6 41.3 31.9 22.0 35 559 A I H X S+ 0 0 6 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.949 110.4 46.5 -48.3 -57.2 42.3 33.2 18.6 36 560 A M H X S+ 0 0 14 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.924 113.0 47.4 -53.0 -53.6 41.4 29.8 17.0 37 561 A T H X S+ 0 0 32 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.953 114.8 47.4 -55.0 -50.6 38.1 29.5 18.8 38 562 A T H X S+ 0 0 58 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.921 113.8 47.0 -56.5 -47.3 37.2 33.1 17.9 39 563 A L H X S+ 0 0 31 -4,-3.3 4,-2.7 -5,-0.3 -1,-0.2 0.866 109.1 54.3 -66.0 -36.2 38.3 32.6 14.3 40 564 A N H X S+ 0 0 31 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.929 108.7 50.2 -63.1 -40.8 36.3 29.3 14.1 41 565 A M H X S+ 0 0 70 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.936 113.6 43.0 -61.5 -48.0 33.2 31.2 15.3 42 566 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.892 108.4 62.2 -65.0 -37.8 33.6 34.0 12.7 43 567 A G H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.910 97.5 56.6 -54.0 -45.4 34.4 31.3 10.1 44 568 A G H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.919 110.9 42.8 -53.2 -46.3 31.0 29.7 10.6 45 569 A R H X S+ 0 0 114 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.931 111.5 55.6 -64.6 -44.8 29.3 33.0 9.7 46 570 A Q H X S+ 0 0 37 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.827 108.4 48.7 -56.4 -36.4 31.8 33.6 6.8 47 571 A V H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.892 108.5 51.3 -74.4 -40.3 30.8 30.2 5.4 48 572 A I H X S+ 0 0 59 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.924 109.1 52.4 -62.2 -41.7 27.1 30.8 5.6 49 573 A A H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 110.2 49.5 -59.5 -39.0 27.7 34.1 3.8 50 574 A A H X S+ 0 0 12 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.897 106.2 54.3 -68.2 -41.2 29.5 32.1 1.1 51 575 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.958 108.4 49.6 -58.5 -48.6 26.8 29.5 0.7 52 576 A K H X S+ 0 0 104 -4,-2.3 4,-0.8 1,-0.2 3,-0.2 0.942 110.4 51.8 -53.4 -47.8 24.3 32.3 0.0 53 577 A W H >< S+ 0 0 8 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.908 105.2 55.0 -55.1 -45.8 26.8 33.7 -2.5 54 578 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.896 103.8 55.2 -57.1 -39.8 27.1 30.4 -4.2 55 579 A K H 3< S+ 0 0 32 -4,-2.0 6,-0.3 1,-0.3 -1,-0.3 0.690 104.0 55.5 -67.7 -17.8 23.3 30.3 -4.7 56 580 A A T << S+ 0 0 45 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.443 81.4 109.6 -93.3 -1.5 23.5 33.7 -6.5 57 581 A I S X> S- 0 0 5 -3,-1.5 3,-2.3 -4,-0.4 4,-0.6 -0.651 83.2-105.7 -80.2 124.6 26.0 32.4 -9.0 58 582 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.239 103.0 4.7 -49.5 121.7 24.4 32.2 -12.5 59 583 A G T >4 S+ 0 0 20 -4,-0.1 3,-0.8 1,-0.0 106,-0.1 0.172 99.9 106.7 88.1 -18.4 23.9 28.5 -13.2 60 584 A F G X4 S+ 0 0 1 -3,-2.3 3,-1.0 1,-0.2 -5,-0.1 0.959 81.2 44.3 -60.1 -52.6 25.0 27.2 -9.8 61 585 A R G 3< S+ 0 0 111 -4,-0.6 -1,-0.2 -6,-0.3 4,-0.1 0.539 94.6 78.9 -71.7 -3.6 21.5 26.3 -8.6 62 586 A N G < S+ 0 0 107 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.184 81.8 90.6 -85.5 16.7 20.6 24.7 -11.9 63 587 A L S < S- 0 0 7 -3,-1.0 5,-0.1 1,-0.1 95,-0.1 -0.794 100.8 -80.9-108.7 155.5 22.7 21.8 -10.6 64 588 A H >> - 0 0 77 -2,-0.3 3,-1.9 1,-0.2 4,-1.8 -0.319 41.3-122.4 -56.1 133.5 21.2 18.9 -8.6 65 589 A L H 3> S+ 0 0 48 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.738 113.7 61.7 -50.7 -23.8 21.0 20.1 -5.1 66 590 A D H 3> S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.853 104.1 46.1 -72.3 -34.7 23.2 17.1 -4.2 67 591 A D H <> S+ 0 0 4 -3,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.818 105.7 60.1 -75.8 -32.0 26.0 18.5 -6.4 68 592 A Q H X S+ 0 0 4 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.833 110.4 43.5 -63.2 -30.6 25.5 21.9 -4.8 69 593 A M H X S+ 0 0 19 -4,-1.0 4,-2.1 -5,-0.2 5,-0.2 0.920 111.2 50.6 -79.2 -48.5 26.3 20.3 -1.5 70 594 A T H X S+ 0 0 23 -4,-2.1 4,-1.5 2,-0.2 5,-0.2 0.944 112.0 50.7 -54.9 -48.0 29.2 18.2 -2.6 71 595 A L H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-1.0 0.962 111.0 44.9 -54.7 -60.1 30.8 21.3 -4.2 72 596 A L H 3X S+ 0 0 7 -4,-1.6 4,-1.1 1,-0.3 -1,-0.2 0.788 113.4 51.3 -57.8 -29.5 30.5 23.6 -1.2 73 597 A Q H 3< S+ 0 0 13 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.732 113.6 44.9 -80.8 -22.3 31.8 20.8 1.2 74 598 A Y H << S+ 0 0 10 -4,-1.5 -2,-0.2 -3,-1.0 -1,-0.2 0.734 124.1 31.8 -89.5 -27.3 34.8 20.2 -1.1 75 599 A S H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.412 82.3 100.8-115.3 3.8 35.7 23.9 -1.6 76 600 A W H X S+ 0 0 22 -4,-1.1 4,-2.5 1,-0.2 5,-0.2 0.947 86.5 49.1 -57.5 -49.5 34.7 25.9 1.4 77 601 A M H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.877 112.5 51.7 -55.1 -36.6 38.3 26.1 2.9 78 602 A S H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.951 109.3 46.1 -65.3 -52.0 39.4 27.2 -0.6 79 603 A L H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.857 115.8 50.3 -58.9 -34.9 36.8 30.0 -0.9 80 604 A M H X S+ 0 0 37 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.935 111.6 44.0 -69.3 -49.9 37.7 31.0 2.6 81 605 A A H X S+ 0 0 4 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.893 115.4 49.5 -64.4 -41.3 41.5 31.1 2.1 82 606 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.936 113.1 44.7 -66.6 -45.4 41.2 32.9 -1.2 83 607 A A H X S+ 0 0 17 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.901 114.2 49.4 -66.6 -40.0 38.8 35.6 0.1 84 608 A L H X S+ 0 0 20 -4,-2.4 4,-1.8 2,-0.2 14,-0.4 0.871 110.8 52.1 -65.1 -35.1 40.9 36.1 3.2 85 609 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.2 45.4 -65.8 -46.9 44.0 36.4 1.0 86 610 A W H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.921 112.7 49.8 -63.7 -44.7 42.4 39.0 -1.2 87 611 A R H X S+ 0 0 55 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.861 111.7 49.5 -64.5 -31.5 41.1 41.0 1.8 88 612 A S H X S+ 0 0 2 -4,-1.8 4,-1.3 -5,-0.2 8,-0.2 0.846 111.4 50.3 -73.4 -33.9 44.6 40.9 3.4 89 613 A Y H < S+ 0 0 40 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.970 114.8 39.9 -67.4 -56.8 46.2 42.0 0.1 90 614 A R H < S+ 0 0 177 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.682 110.5 65.1 -68.5 -16.9 43.9 45.0 -0.5 91 615 A Q H < S+ 0 0 96 -4,-1.0 2,-0.3 -5,-0.3 -1,-0.2 0.908 109.0 7.5 -74.5 -46.6 44.0 45.9 3.2 92 616 A S S < S- 0 0 43 -4,-1.3 -1,-0.2 -3,-0.3 4,-0.1 -0.971 72.1-104.3-143.9 159.3 47.6 46.8 3.8 93 617 A S S S- 0 0 120 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 0.612 92.1 -63.7 -52.1 -15.4 51.0 47.4 2.2 94 618 A A S S+ 0 0 49 -6,-0.1 2,-1.2 36,-0.0 -1,-0.1 -0.984 98.6 72.2 161.5-169.2 51.9 43.9 3.6 95 619 A N S S+ 0 0 114 -2,-0.3 2,-0.2 11,-0.1 -6,-0.1 0.057 76.9 89.7 55.6 -16.0 52.5 41.5 6.5 96 620 A L - 0 0 22 -2,-1.2 2,-0.5 -8,-0.2 10,-0.2 -0.617 61.3-133.6-120.0 174.1 49.0 40.8 7.9 97 621 A L E -A 105 0A 0 8,-2.1 8,-2.5 -2,-0.2 2,-1.0 -0.971 20.8-161.8-118.3 114.0 45.8 38.7 7.9 98 622 A C E +A 104 0A 2 -2,-0.5 6,-0.2 -14,-0.4 -9,-0.1 -0.711 20.6 164.4-100.7 85.6 42.6 40.8 7.9 99 623 A F E S- 0 0 32 -2,-1.0 -79,-0.2 4,-0.9 5,-0.2 0.818 74.1 -12.4 -69.6 -30.6 39.8 38.5 9.0 100 624 A A E > S-A 103 0A 0 3,-1.7 3,-1.3 -81,-0.1 -79,-0.2 -0.939 73.1-101.3-158.2 168.4 37.4 41.5 9.7 101 625 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -80,-0.1 0.765 129.1 38.8 -70.0 -20.7 37.8 45.2 10.0 102 626 A D T 3 S+ 0 0 56 1,-0.2 2,-0.2 -4,-0.0 -81,-0.1 -0.006 113.8 60.9-114.2 22.0 37.7 44.7 13.8 103 627 A L E < +A 100 0A 18 -3,-1.3 -3,-1.7 -79,-0.0 -4,-0.9 -0.712 62.0 159.3-152.3 94.9 39.8 41.5 13.8 104 628 A I E -A 98 0A 54 -2,-0.2 2,-0.7 -6,-0.2 -6,-0.2 -0.966 29.3-151.3-125.3 136.2 43.3 41.7 12.5 105 629 A I E -A 97 0A 1 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.1 -0.914 27.1-173.9-104.0 111.4 46.3 39.3 13.1 106 630 A N > - 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0 0 100 -3,-1.8 2,-0.2 -4,-0.3 -3,-0.2 0.952 31.0-158.4 47.2 61.8 49.0 42.0 -9.2 134 658 A V < - 0 0 4 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.1 -0.526 6.6-131.8 -73.9 134.2 45.6 40.4 -9.6 135 659 A S > - 0 0 34 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.435 22.4-110.3 -82.3 159.5 42.8 42.7 -10.6 136 660 A Y H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.872 119.2 49.7 -58.3 -37.5 39.4 42.6 -8.8 137 661 A E H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 107.3 52.7 -69.9 -40.6 37.7 41.1 -11.8 138 662 A E H > S+ 0 0 0 38,-0.2 4,-2.7 1,-0.2 3,-0.2 0.941 111.4 49.0 -57.9 -45.3 40.3 38.4 -12.2 139 663 A Y H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.874 104.3 57.2 -62.6 -41.0 39.7 37.5 -8.6 140 664 A L H X S+ 0 0 4 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.892 114.2 40.0 -60.3 -36.9 35.9 37.4 -8.9 141 665 A C H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.908 113.4 52.1 -76.1 -47.4 36.2 34.8 -11.6 142 666 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 107.9 53.2 -56.6 -44.6 39.0 32.8 -10.0 143 667 A K H X S+ 0 0 8 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.860 108.6 50.0 -61.2 -34.1 37.0 32.6 -6.8 144 668 A T H >X S+ 0 0 1 -4,-0.9 4,-1.0 -5,-0.2 3,-0.5 0.911 108.9 51.8 -70.0 -40.7 34.1 31.2 -8.8 145 669 A L H 3< S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.851 101.8 61.4 -62.3 -33.8 36.3 28.6 -10.4 146 670 A L H >< S+ 0 0 3 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.843 98.8 55.7 -62.1 -33.7 37.5 27.6 -6.9 147 671 A L H << S+ 0 0 1 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.3 0.842 113.1 42.8 -65.9 -31.3 34.0 26.6 -6.1 148 672 A L T 3< S+ 0 0 3 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 -0.012 87.4 99.9-103.0 27.4 34.1 24.4 -9.1 149 673 A S S < S+ 0 0 10 -3,-1.3 99,-1.6 1,-0.2 2,-0.3 0.369 77.7 46.2 -98.2 4.4 37.6 23.0 -8.5 150 674 A S E +B 247 0B 3 -3,-0.3 97,-0.2 97,-0.2 -1,-0.2 -0.878 58.5 172.6-152.2 116.6 36.8 19.6 -7.0 151 675 A V E -B 246 0B 7 95,-1.4 95,-2.4 -2,-0.3 2,-0.2 -0.722 44.2 -85.7-114.3 165.4 34.3 17.1 -8.1 152 676 A P E > -B 245 0B 12 0, 0.0 3,-1.0 0, 0.0 93,-0.2 -0.499 36.2-117.2 -74.0 144.6 33.8 13.5 -6.8 153 677 A K T 3 S+ 0 0 132 91,-2.7 2,-1.0 1,-0.3 92,-0.1 0.884 118.2 51.4 -42.0 -46.8 36.0 10.8 -8.3 154 678 A D T 3 S- 0 0 121 90,-0.3 -1,-0.3 1,-0.3 90,-0.0 -0.395 116.1-115.4 -91.4 54.0 32.7 9.2 -9.6 155 679 A G < - 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0 0 73 -3,-0.3 -2,-0.0 -2,-0.1 0, 0.0 -0.167 37.5-150.5-109.8-154.3 48.9 43.0 -24.6 184 708 A S S > S+ 0 0 94 -2,-0.1 4,-0.5 3,-0.0 -1,-0.1 0.401 91.3 41.3-150.4 -40.8 48.8 39.8 -26.7 185 709 A S H >> S+ 0 0 93 2,-0.2 4,-1.5 1,-0.1 3,-0.6 0.835 115.3 53.8 -82.7 -37.6 51.8 37.6 -25.8 186 710 A Q H 3> S+ 0 0 81 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.793 94.3 69.8 -67.0 -29.4 51.3 38.4 -22.1 187 711 A N H 3> S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 103.2 44.8 -55.1 -40.6 47.7 37.3 -22.3 188 712 A W H X S+ 0 0 6 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.908 109.1 51.6 -55.9 -43.3 44.4 28.3 -9.0 199 723 A D H >< S+ 0 0 13 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.851 105.3 54.7 -64.3 -34.0 46.2 25.0 -9.1 200 724 A S H 3X S+ 0 0 13 -4,-1.9 4,-1.8 1,-0.2 3,-0.4 0.685 91.2 74.7 -74.8 -16.7 48.3 25.8 -6.1 201 725 A M H S+ 0 0 122 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.958 110.9 44.1 -66.4 -53.5 47.9 22.7 -1.9 204 728 A V H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.909 113.0 54.3 -60.6 -37.7 47.3 25.5 0.6 205 729 A V H X S+ 0 0 8 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.902 105.2 54.4 -60.2 -40.5 43.8 24.0 1.2 206 730 A E H X S+ 0 0 107 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.900 110.4 45.0 -60.0 -42.7 45.4 20.7 1.9 207 731 A N H X S+ 0 0 61 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.926 114.7 47.0 -67.9 -45.1 47.7 22.3 4.6 208 732 A L H X S+ 0 0 13 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.822 109.1 56.0 -66.1 -32.4 44.9 24.3 6.2 209 733 A L H X S+ 0 0 6 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.840 99.6 59.0 -70.8 -32.4 42.6 21.3 6.2 210 734 A N H X S+ 0 0 88 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.936 109.5 43.4 -62.1 -45.0 45.1 19.1 8.2 211 735 A Y H X S+ 0 0 68 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.871 114.0 52.6 -66.6 -36.0 45.0 21.6 11.0 212 736 A C H X S+ 0 0 13 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.917 115.5 38.7 -65.7 -45.3 41.3 21.9 10.8 213 737 A F H X S+ 0 0 24 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.951 116.5 49.5 -71.4 -50.0 40.7 18.1 10.9 214 738 A Q H X S+ 0 0 117 -4,-2.9 4,-1.0 -5,-0.3 -2,-0.2 0.931 115.7 45.0 -52.9 -49.0 43.4 17.4 13.6 215 739 A T H < S+ 0 0 19 -4,-2.2 8,-0.5 -5,-0.3 4,-0.5 0.835 110.8 52.7 -65.2 -37.2 42.0 20.2 15.7 216 740 A F H < S+ 0 0 53 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.4 39.0 -68.5 -37.4 38.4 19.2 15.3 217 741 A L H < S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.530 93.8 88.3 -91.2 -10.2 38.8 15.6 16.3 218 742 A D < + 0 0 55 -4,-1.0 -2,-0.1 -5,-0.2 -1,-0.1 0.955 46.6 177.5 -54.6 -66.8 41.4 16.0 19.2 219 743 A K S S+ 0 0 146 -4,-0.5 -1,-0.1 1,-0.1 -4,-0.1 0.567 73.2 80.6 66.2 8.3 39.2 16.6 22.3 220 744 A T S S+ 0 0 119 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.462 104.0 34.1-108.8 -17.7 42.5 16.7 24.2 221 745 A M S S- 0 0 87 -6,-0.2 -6,-0.1 2,-0.1 -5,-0.1 0.798 92.6-155.4 -99.5 -50.4 42.7 20.3 23.0 222 746 A S + 0 0 70 -7,-0.2 2,-0.5 1,-0.2 -6,-0.1 0.992 20.5 175.4 66.3 63.4 39.0 21.1 23.0 223 747 A I - 0 0 19 -8,-0.5 2,-0.2 -187,-0.0 -1,-0.2 -0.897 29.2-120.9-102.0 126.0 38.9 23.9 20.4 224 748 A E - 0 0 124 -2,-0.5 -184,-0.2 1,-0.0 -183,-0.1 -0.461 27.9-176.1 -75.1 135.9 35.3 25.1 19.6 225 749 A F - 0 0 28 -2,-0.2 -184,-0.1 -9,-0.1 -188,-0.1 -0.977 31.9-108.4-125.7 137.6 33.8 25.0 16.1 226 750 A P > - 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.232 36.5-102.5 -64.1 160.1 30.3 26.4 15.3 227 751 A E H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 31,-0.0 0.860 113.8 38.9 -50.3 -55.0 27.4 24.0 14.6 228 752 A M H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.943 116.7 49.3 -66.4 -48.7 27.1 24.1 10.9 229 753 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 108.2 56.1 -56.4 -42.3 30.8 24.2 10.1 230 754 A A H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.887 106.3 51.4 -56.7 -40.8 31.3 21.3 12.5 231 755 A E H X S+ 0 0 55 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.931 107.9 49.7 -63.5 -48.3 28.8 19.3 10.4 232 756 A I H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.888 112.8 48.8 -59.3 -39.3 30.5 19.9 7.1 233 757 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 3,-0.4 0.942 110.4 47.4 -67.2 -49.8 33.8 18.9 8.6 234 758 A T H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 114.8 51.8 -58.8 -31.4 32.6 15.6 10.2 235 759 A N H < S+ 0 0 79 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.797 115.3 37.5 -75.2 -33.0 31.0 15.0 6.8 236 760 A Q H X S+ 0 0 2 -4,-1.6 4,-3.1 -3,-0.4 5,-0.3 0.728 95.3 77.9 -94.8 -25.7 34.1 15.6 4.7 237 761 A I H X S+ 0 0 40 -4,-2.4 4,-0.6 1,-0.2 -1,-0.1 0.864 96.5 48.8 -55.3 -38.1 36.9 14.0 6.8 238 762 A P H >> S+ 0 0 66 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.942 117.5 39.9 -68.8 -44.1 35.9 10.5 5.8 239 763 A K H 3>>S+ 0 0 47 -4,-0.5 5,-1.2 1,-0.2 4,-0.7 0.925 104.4 64.3 -70.1 -46.3 35.8 11.3 2.0 240 764 A Y H 3<5S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.1 0.699 108.8 45.9 -51.4 -19.8 38.8 13.6 1.9 241 765 A S H <<5S+ 0 0 77 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.953 99.7 59.4 -85.7 -68.2 40.9 10.5 2.8 242 766 A N H <5S- 0 0 121 -4,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.480 110.2-109.8 -42.7 -9.5 39.7 7.6 0.7 243 767 A G T <5S+ 0 0 44 -4,-0.7 -1,-0.2 1,-0.1 -3,-0.1 0.829 79.4 133.5 77.9 30.6 40.6 9.5 -2.5 244 768 A N < + 0 0 41 -5,-1.2 -91,-2.7 -91,-0.1 2,-0.5 0.389 52.8 91.4 -89.9 0.6 36.9 10.0 -3.5 245 769 A I E -B 152 0B 21 -6,-0.3 2,-0.5 -93,-0.2 -95,-0.0 -0.849 61.0-164.6-101.3 128.3 38.0 13.5 -4.1 246 770 A K E -B 151 0B 119 -95,-2.4 -95,-1.4 -2,-0.5 2,-0.7 -0.959 8.2-150.7-115.0 127.1 39.2 14.6 -7.6 247 771 A K E -B 150 0B 82 -2,-0.5 2,-0.3 -97,-0.2 -97,-0.2 -0.860 12.8-137.4-100.7 116.5 41.0 17.9 -8.0 248 772 A L - 0 0 30 -99,-1.6 2,-0.4 -2,-0.7 -100,-0.0 -0.535 27.4-169.7 -70.7 130.6 40.6 19.6 -11.3 249 773 A L - 0 0 94 -2,-0.3 3,-0.1 1,-0.1 -53,-0.1 -0.987 29.2-157.0-128.4 137.1 44.0 20.9 -12.5 250 774 A F S S+ 0 0 62 -2,-0.4 2,-0.4 -55,-0.4 -1,-0.1 0.710 91.0 39.6 -80.0 -21.1 44.9 23.2 -15.3 251 775 A H - 0 0 25 -56,-0.2 -1,-0.2 -55,-0.1 -59,-0.0 -0.984 59.4-159.6-133.5 123.3 48.4 21.8 -15.3 252 776 A Q 0 0 165 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.463 360.0 360.0 -75.6 2.3 49.4 18.2 -14.8 253 777 A K 0 0 197 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.315 360.0 360.0 -65.7 360.0 52.7 19.9 -14.0 254 !* 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 0.0 255 741 B Q 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.2 15.8 16.2 9.2 256 742 B K > - 0 0 119 0, 0.0 5,-0.8 0, 0.0 0, 0.0 0.441 360.0-175.2-147.6 -55.1 17.7 19.5 9.0 257 743 B S T >>5 - 0 0 34 3,-0.2 4,-1.4 1,-0.1 3,-1.3 0.916 34.6-131.2 39.5 68.6 21.4 19.3 8.0 258 744 B L H 3>5S+ 0 0 51 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.563 103.3 46.2 -10.3 -53.5 22.2 23.0 8.5 259 745 B L H >>5S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 3,-1.1 0.976 112.8 47.3 -63.1 -58.6 23.9 23.3 5.0 260 746 B Q H <45S+ 0 0 81 -3,-1.3 4,-0.3 1,-0.3 -2,-0.2 0.877 110.8 54.2 -50.1 -43.4 21.1 21.4 3.1 261 747 B Q H 3<