==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC/IMMUNE SYSTEM 10-DEC-03 1V74 . COMPND 2 MOLECULE: COLICIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GRAILLE,L.MORA,R.H.BUCKINGHAM,H.VAN TILBEURGH,M.DE . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 591 A L 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.0 24.0 12.7 29.8 2 592 A N - 0 0 126 1,-0.1 9,-0.0 4,-0.1 0, 0.0 0.032 360.0 -84.8 -56.0 163.0 21.5 14.8 27.9 3 593 A D > - 0 0 40 1,-0.1 3,-2.3 2,-0.1 -1,-0.1 -0.296 40.2-110.3 -66.4 152.6 17.7 14.6 28.2 4 594 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 119.5 56.7 -57.0 -27.0 15.9 11.9 26.1 5 595 A L T 3 S+ 0 0 4 1,-0.1 2,-1.0 36,-0.0 10,-0.1 0.477 83.3 96.1 -84.7 -2.8 14.4 14.7 24.0 6 596 A D < + 0 0 51 -3,-2.3 2,-0.3 5,-0.2 5,-0.2 -0.778 59.9 101.3 -90.6 101.7 17.9 16.1 23.1 7 597 A S B > S-A 10 0A 62 3,-1.2 3,-2.5 -2,-1.0 2,-0.1 -0.944 71.4 -5.0-173.1 155.8 18.7 14.5 19.8 8 598 A G T 3 S- 0 0 82 -2,-0.3 76,-0.0 1,-0.3 -2,-0.0 -0.312 129.9 -13.7 56.1-125.0 18.8 15.3 16.1 9 599 A R T 3 S+ 0 0 123 75,-0.1 76,-2.9 -2,-0.1 -1,-0.3 0.416 123.8 78.9 -89.3 1.7 17.4 18.8 15.4 10 600 A F B < -A 7 0A 14 -3,-2.5 -3,-1.2 74,-0.2 2,-0.3 -0.710 47.3-173.5-118.9 164.6 15.9 19.1 18.9 11 601 A S > - 0 0 38 -2,-0.2 4,-2.1 -5,-0.2 5,-0.2 -0.970 35.0-125.1-144.3 143.3 16.6 19.9 22.5 12 602 A R H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.894 111.9 58.7 -57.5 -38.6 14.0 19.6 25.3 13 603 A K H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 107.2 43.2 -56.9 -51.8 14.8 23.2 26.2 14 604 A Q H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 113.1 52.2 -63.7 -41.1 13.9 24.6 22.7 15 605 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.885 109.7 50.4 -61.8 -38.8 10.7 22.4 22.5 16 606 A D H >< S+ 0 0 47 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.928 109.0 51.0 -65.2 -45.3 9.6 23.7 25.9 17 607 A K H 3< S+ 0 0 56 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.811 119.1 37.1 -60.3 -33.5 10.2 27.3 24.9 18 608 A K H >< S+ 0 0 7 -4,-1.6 3,-2.6 1,-0.2 4,-0.3 0.355 78.9 106.5-104.9 5.9 8.1 26.8 21.7 19 609 A Y G X< + 0 0 20 -3,-0.8 3,-2.5 -4,-0.7 4,-0.4 0.783 65.9 78.8 -55.1 -27.0 5.3 24.5 23.0 20 610 A K G 3 S+ 0 0 35 -4,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.712 94.0 49.5 -54.3 -20.6 3.0 27.5 22.8 21 611 A H G X S+ 0 0 0 -3,-2.6 3,-2.3 1,-0.2 4,-0.5 0.481 80.1 97.8 -96.8 -5.7 2.9 26.8 19.1 22 612 A A G X >S+ 0 0 1 -3,-2.5 5,-1.7 1,-0.3 3,-1.5 0.799 73.1 67.3 -53.5 -30.5 2.1 23.1 19.4 23 613 A G G > 5S+ 0 0 21 -4,-0.4 3,-0.9 -3,-0.3 -1,-0.3 0.745 92.0 60.2 -63.5 -23.7 -1.6 23.9 18.9 24 614 A D G < 5S+ 0 0 10 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.673 102.9 54.0 -76.5 -16.6 -0.8 24.9 15.3 25 615 A F G < 5S- 0 0 24 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 -0.089 129.2 -87.9-108.7 31.9 0.5 21.4 14.7 26 616 A G T < 5S+ 0 0 75 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.626 90.7 123.9 76.0 14.0 -2.6 19.5 15.9 27 617 A I < + 0 0 13 -5,-1.7 -2,-0.2 -6,-0.1 -1,-0.2 -0.837 25.9 168.9-111.9 96.7 -1.6 19.2 19.6 28 618 A S + 0 0 108 -2,-0.7 -1,-0.1 -5,-0.1 -5,-0.1 0.507 31.3 130.4 -83.4 -5.2 -4.4 20.7 21.7 29 619 A D - 0 0 55 1,-0.2 -6,-0.1 -7,-0.1 -2,-0.1 -0.266 43.1-162.1 -52.6 126.7 -3.0 19.5 25.0 30 620 A T + 0 0 138 2,-0.0 2,-0.3 -7,-0.0 -1,-0.2 0.751 66.1 85.8 -83.7 -25.2 -2.9 22.4 27.4 31 621 A K - 0 0 147 1,-0.0 2,-0.7 -3,-0.0 5,-0.0 -0.566 68.3-148.6 -80.4 139.3 -0.5 20.7 29.8 32 622 A K + 0 0 92 -2,-0.3 2,-0.2 4,-0.1 -2,-0.0 -0.906 43.9 123.2-111.2 104.4 3.2 21.0 29.0 33 623 A N S > S- 0 0 53 -2,-0.7 4,-2.9 1,-0.0 5,-0.3 -0.828 77.2 -75.3-145.2-177.7 5.1 17.9 30.2 34 624 A R H > S+ 0 0 101 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.896 127.9 51.6 -53.1 -43.7 7.5 15.3 28.8 35 625 A E H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 114.7 39.9 -61.3 -48.4 4.6 13.5 27.1 36 626 A T H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 113.1 54.4 -72.7 -31.8 3.2 16.6 25.3 37 627 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.875 109.4 50.5 -67.1 -33.8 6.7 18.0 24.5 38 628 A T H X S+ 0 0 39 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.897 107.8 51.5 -68.7 -40.8 7.3 14.6 22.8 39 629 A K H X S+ 0 0 77 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.915 111.6 48.3 -60.9 -41.5 4.0 14.9 20.9 40 630 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.942 110.6 50.2 -63.1 -49.0 5.2 18.3 19.7 41 631 A R H X S+ 0 0 42 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.936 112.9 47.1 -55.7 -48.8 8.7 17.0 18.7 42 632 A D H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.887 110.3 52.7 -61.7 -39.8 7.0 14.2 16.8 43 633 A A H X S+ 0 0 11 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.854 108.4 50.2 -65.7 -35.5 4.6 16.6 15.1 44 634 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.934 111.0 48.6 -68.1 -45.1 7.5 18.8 14.0 45 635 A E H X S+ 0 0 83 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.890 109.7 53.0 -60.7 -39.9 9.3 15.8 12.5 46 636 A E H X S+ 0 0 132 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.889 109.4 49.3 -63.1 -38.6 6.1 14.7 10.7 47 637 A H H >< S+ 0 0 11 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.958 113.8 45.1 -63.6 -51.3 5.8 18.2 9.2 48 638 A L H 3< S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 114.5 48.3 -61.9 -36.8 9.4 18.2 8.0 49 639 A S H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.540 84.2 115.9 -82.6 -8.3 9.2 14.6 6.6 50 640 A D X< - 0 0 58 -3,-0.9 3,-1.4 -4,-0.8 -3,-0.0 -0.381 66.9-138.0 -63.7 136.1 5.9 15.3 4.8 51 641 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.821 105.3 55.6 -65.1 -28.4 6.3 15.0 1.0 52 642 A D T 3 S+ 0 0 70 2,-0.0 2,-0.5 18,-0.0 -1,-0.3 0.499 88.4 93.7 -82.4 -3.7 4.2 18.1 0.6 53 643 A T < + 0 0 15 -3,-1.4 2,-0.3 17,-0.2 17,-0.2 -0.793 55.4 168.4 -91.9 129.7 6.5 20.1 2.9 54 644 A V E -B 69 0B 79 15,-2.5 15,-2.5 -2,-0.5 2,-0.1 -0.922 40.4 -84.2-138.2 163.4 9.2 22.1 0.9 55 645 A E E +B 68 0B 107 -2,-0.3 13,-0.3 13,-0.2 2,-0.2 -0.416 49.4 164.9 -67.5 139.5 11.8 24.8 1.5 56 646 A K - 0 0 54 11,-3.2 49,-0.1 1,-0.3 -2,-0.0 -0.667 44.7 -45.5-162.3 101.0 10.4 28.3 1.2 57 647 A G - 0 0 29 -2,-0.2 10,-2.1 9,-0.1 -1,-0.3 -0.197 60.8 -93.5 79.8-165.8 12.1 31.5 2.4 58 648 A T B -e 106 0C 23 47,-2.0 49,-2.4 8,-0.2 2,-0.8 -0.939 15.8-119.9-149.9 166.0 13.9 32.5 5.6 59 649 A Y > - 0 0 6 3,-0.4 3,-2.1 -2,-0.3 6,-0.3 -0.882 35.5-157.1-110.6 89.8 13.4 34.1 9.0 60 650 A R T 3 S+ 0 0 148 -2,-0.8 -1,-0.2 47,-0.5 4,-0.1 0.755 83.6 62.5 -42.2 -43.7 15.9 36.9 8.4 61 651 A R T 3 S+ 0 0 108 1,-0.2 2,-1.2 -3,-0.1 -1,-0.3 0.846 98.5 61.8 -55.4 -33.6 16.7 37.7 12.0 62 652 A E S X S- 0 0 28 -3,-2.1 3,-2.1 113,-0.1 -3,-0.4 -0.768 101.6-131.3 -95.4 90.2 18.1 34.2 12.3 63 653 A K T 3 S+ 0 0 157 -2,-1.2 18,-0.5 1,-0.3 -2,-0.1 -0.123 82.1 5.3 -46.8 126.7 20.9 34.5 9.7 64 654 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.541 91.5 151.2 76.8 7.1 21.0 31.7 7.2 65 655 A S < - 0 0 4 -3,-2.1 2,-0.4 -6,-0.3 -1,-0.2 -0.366 33.9-149.0 -71.2 150.7 17.9 30.1 8.5 66 656 A K E - C 0 79B 101 13,-2.7 13,-2.5 -8,-0.2 2,-0.4 -0.982 6.1-146.7-123.4 133.7 15.7 28.1 6.1 67 657 A V E - C 0 78B 0 -10,-2.1 -11,-3.2 -2,-0.4 2,-0.6 -0.815 3.6-152.3-101.9 140.4 11.9 27.8 6.5 68 658 A Y E -BC 55 77B 59 9,-2.3 9,-1.4 -2,-0.4 2,-0.3 -0.957 17.2-167.2-117.6 115.8 10.0 24.7 5.5 69 659 A F E -BC 54 76B 12 -15,-2.5 -15,-2.5 -2,-0.6 7,-0.2 -0.785 16.4-159.5-108.1 144.4 6.4 25.3 4.5 70 660 A N > - 0 0 2 5,-1.9 4,-2.5 -2,-0.3 5,-0.5 -0.967 7.3-158.0-122.6 111.4 3.4 23.0 3.9 71 661 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.697 90.0 55.6 -60.4 -22.6 0.6 24.4 1.7 72 662 A N T 4 S+ 0 0 113 -20,-0.1 -19,-0.0 1,-0.1 -2,-0.0 0.945 122.0 22.6 -78.0 -51.8 -2.0 22.1 3.2 73 663 A T T 4 S- 0 0 59 2,-0.1 -1,-0.1 -3,-0.0 3,-0.1 0.661 96.2-135.6 -87.7 -18.7 -1.6 22.9 6.9 74 664 A M < + 0 0 38 -4,-2.5 17,-3.1 1,-0.3 2,-0.2 0.608 55.8 144.4 71.4 13.4 -0.1 26.3 6.1 75 665 A N E - D 0 90B 6 -5,-0.5 -5,-1.9 15,-0.2 2,-0.3 -0.521 34.2-161.3 -85.3 152.0 2.5 25.6 8.8 76 666 A V E -CD 69 89B 0 13,-2.4 13,-1.6 -7,-0.2 2,-0.4 -0.957 3.7-161.4-128.5 148.1 6.1 26.7 8.7 77 667 A V E -CD 68 88B 0 -9,-1.4 -9,-2.3 -2,-0.3 2,-0.5 -0.998 14.3-142.6-131.3 126.1 9.0 25.4 10.7 78 668 A I E -CD 67 87B 0 9,-3.1 8,-2.6 -2,-0.4 9,-1.0 -0.799 14.4-168.4 -94.5 128.3 12.2 27.5 11.0 79 669 A I E -CD 66 85B 5 -13,-2.5 -13,-2.7 -2,-0.5 6,-0.2 -0.966 19.6-127.6-118.1 127.0 15.5 25.7 10.9 80 670 A K > - 0 0 59 4,-2.7 3,-2.2 -2,-0.5 -14,-0.1 -0.130 33.8 -98.8 -65.1 167.0 18.7 27.5 11.8 81 671 A S T 3 S+ 0 0 88 -18,-0.5 -1,-0.1 1,-0.3 -17,-0.1 0.795 126.4 56.6 -60.3 -26.0 21.7 27.5 9.5 82 672 A N T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.424 121.8-108.0 -85.9 3.0 23.2 24.7 11.7 83 673 A G S < S+ 0 0 20 -3,-2.2 2,-0.1 1,-0.3 -2,-0.1 0.375 72.8 137.9 90.8 -5.0 20.1 22.6 11.1 84 674 A E - 0 0 97 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.460 60.8-104.1 -77.9 148.0 18.6 22.9 14.6 85 675 A F E +D 79 0B 6 -76,-2.9 -6,-0.2 -6,-0.2 -1,-0.1 -0.501 41.0 170.5 -69.7 132.9 14.9 23.5 15.1 86 676 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -1,-0.2 0.795 52.2 -54.5-107.8 -57.4 14.1 27.1 16.1 87 677 A S E -D 78 0B 0 -9,-1.0 -9,-3.1 2,-0.0 -1,-0.4 -0.950 44.3-160.4-169.8-176.4 10.3 27.5 16.0 88 678 A G E +D 77 0B 1 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.951 12.1 159.7-175.5 158.2 7.2 27.1 13.9 89 679 A W E -D 76 0B 5 -13,-1.6 -13,-2.4 -2,-0.3 2,-0.4 -0.972 44.3 -71.1-172.8 176.2 3.5 28.2 13.5 90 680 A K E -D 75 0B 40 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.722 40.6-132.4 -91.6 130.6 0.6 28.5 11.2 91 681 A I - 0 0 6 -17,-3.1 3,-0.1 -2,-0.4 -1,-0.0 -0.607 12.6-144.8 -77.5 133.9 0.7 31.2 8.4 92 682 A N > - 0 0 4 -2,-0.3 3,-1.5 1,-0.1 6,-0.4 -0.882 7.5-164.5-103.5 106.9 -2.5 33.3 8.1 93 683 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.709 85.0 62.3 -61.9 -20.7 -3.1 34.0 4.4 94 684 A D T 3 S+ 0 0 86 4,-0.1 2,-0.3 -3,-0.1 60,-0.1 0.580 91.7 78.7 -82.9 -10.5 -5.5 36.8 5.2 95 685 A A S <> S- 0 0 0 -3,-1.5 4,-2.6 1,-0.1 5,-0.2 -0.680 85.9-120.3 -99.6 154.0 -3.0 38.9 7.1 96 686 A D H > S+ 0 0 83 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 115.2 53.0 -58.9 -36.9 -0.4 41.2 5.5 97 687 A N H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 110.4 48.2 -63.9 -44.0 2.4 39.2 7.2 98 688 A G H > S+ 0 0 2 -6,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.928 112.8 46.7 -61.6 -47.3 1.0 36.0 5.8 99 689 A R H X S+ 0 0 117 -4,-2.6 4,-2.6 -7,-0.3 5,-0.3 0.905 109.0 55.0 -63.0 -41.8 0.7 37.4 2.3 100 690 A I H X S+ 0 0 79 -4,-2.5 4,-2.5 -5,-0.2 6,-0.6 0.912 110.3 46.9 -58.2 -42.9 4.2 38.9 2.4 101 691 A Y H X S+ 0 0 1 -4,-2.0 4,-3.4 3,-0.2 -2,-0.2 0.954 112.2 48.5 -63.8 -50.5 5.6 35.5 3.2 102 692 A L H < S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 119.0 40.1 -57.4 -40.1 3.7 33.7 0.5 103 693 A E H < S+ 0 0 148 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 135.9 13.6 -80.3 -31.8 4.7 36.3 -2.1 104 694 A T H < S- 0 0 79 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.543 89.4-121.2-124.2 -11.3 8.3 36.8 -1.0 105 695 A G < + 0 0 4 -4,-3.4 -47,-2.0 -5,-0.4 2,-0.7 0.506 65.4 138.3 81.0 2.1 9.4 34.1 1.4 106 696 A E B e 58 0C 67 -6,-0.6 -1,-0.3 -49,-0.2 -47,-0.2 -0.744 360.0 360.0 -86.6 116.2 10.2 36.6 4.0 107 697 A L 0 0 36 -49,-2.4 -47,-0.5 -2,-0.7 -9,-0.1 -0.674 360.0 360.0-101.5 360.0 9.0 35.4 7.4 108 !* 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 0.0 109 1 B M 0 0 125 0, 0.0 2,-0.8 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 104.6 -16.3 35.6 20.2 110 2 B N > - 0 0 85 1,-0.2 3,-1.4 2,-0.1 4,-0.2 -0.366 360.0-171.7 -57.6 100.7 -14.3 38.5 21.7 111 3 B K T 3 S+ 0 0 70 -2,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.588 82.7 57.8 -72.6 -10.7 -12.6 39.9 18.6 112 4 B M T >> S+ 0 0 65 1,-0.2 4,-2.9 2,-0.1 3,-0.5 0.333 72.1 113.2 -99.6 5.4 -10.6 42.3 20.7 113 5 B A H <> S+ 0 0 7 -3,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.859 77.0 45.7 -44.1 -51.6 -9.1 39.4 22.8 114 6 B M H 3> S+ 0 0 13 -3,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.861 114.3 48.7 -65.4 -34.9 -5.5 39.9 21.5 115 7 B I H <> S+ 0 0 1 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.892 110.1 51.4 -71.8 -38.7 -5.7 43.7 22.0 116 8 B D H X S+ 0 0 68 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.880 107.8 53.9 -64.2 -37.6 -7.1 43.2 25.5 117 9 B L H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.940 106.5 51.4 -61.0 -47.0 -4.2 40.9 26.2 118 10 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.867 109.3 50.5 -58.2 -38.8 -1.7 43.5 25.1 119 11 B K H X S+ 0 0 95 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.867 107.7 52.2 -69.5 -36.1 -3.3 46.1 27.4 120 12 B L H <>S+ 0 0 56 -4,-2.1 5,-2.6 1,-0.2 6,-0.8 0.909 112.1 48.9 -64.6 -38.4 -3.1 43.7 30.4 121 13 B F H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.914 107.9 50.7 -67.2 -45.6 0.6 43.3 29.5 122 14 B L H 3<5S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.0 51.5 -63.8 -28.8 1.4 47.0 29.2 123 15 B A T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.408 113.9-122.9 -86.5 2.8 -0.3 47.6 32.6 124 16 B S T < 5S+ 0 0 79 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.737 75.0 129.4 62.0 25.7 1.9 44.8 34.0 125 17 B K S - 0 0 74 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.240 28.2-106.8 -80.3 170.7 4.0 39.0 32.7 128 20 B A H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.916 123.0 50.5 -62.7 -41.6 5.9 39.0 29.4 129 21 B I H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.943 111.3 46.8 -61.8 -47.5 5.9 35.2 29.6 130 22 B E H > S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.924 114.3 48.7 -60.0 -44.6 2.2 35.0 30.3 131 23 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.946 109.2 51.7 -60.2 -49.6 1.5 37.4 27.5 132 24 B S H < S+ 0 0 5 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.782 116.1 41.2 -60.7 -28.3 3.7 35.5 25.0 133 25 B E H >X S+ 0 0 90 -4,-1.7 4,-1.2 -5,-0.2 3,-0.8 0.918 115.5 47.0 -85.6 -47.9 1.9 32.3 25.7 134 26 B R H 3X S+ 0 0 108 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.818 103.1 64.3 -64.0 -29.8 -1.7 33.6 25.9 135 27 B I H 3X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.847 101.7 51.3 -63.0 -31.8 -1.2 35.5 22.7 136 28 B C H <> S+ 0 0 5 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.871 109.5 49.4 -72.1 -37.8 -0.8 32.2 20.9 137 29 B V H X S+ 0 0 80 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.952 114.9 43.8 -65.6 -48.5 -3.9 30.8 22.4 138 30 B E H X S+ 0 0 39 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.891 111.9 52.6 -64.6 -40.3 -6.0 33.9 21.4 139 31 B R H X S+ 0 0 8 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.935 109.8 48.9 -60.6 -45.7 -4.5 34.1 17.9 140 32 B R H < S+ 0 0 78 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.864 109.4 54.2 -61.4 -35.9 -5.3 30.4 17.3 141 33 B R H < S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 114.3 39.2 -67.6 -36.0 -8.9 31.2 18.5 142 34 B L H >< S+ 0 0 11 -4,-1.9 3,-2.0 -3,-0.2 -1,-0.2 0.460 84.8 126.7 -93.9 -2.8 -9.4 34.0 16.1 143 35 B Y T 3< S- 0 0 70 -4,-1.0 3,-0.1 -3,-0.4 -3,-0.0 -0.374 85.7 -0.2 -60.4 123.7 -7.6 32.4 13.1 144 36 B G T 3 S+ 0 0 39 1,-0.2 2,-1.1 -2,-0.2 -1,-0.3 0.556 86.6 151.7 75.4 7.4 -9.9 32.4 10.1 145 37 B V < - 0 0 36 -3,-2.0 -1,-0.2 2,-0.0 -3,-0.0 -0.616 36.4-148.2 -76.2 100.8 -12.7 34.1 11.9 146 38 B K S S+ 0 0 188 -2,-1.1 3,-0.1 1,-0.2 -1,-0.0 -0.172 77.0 51.0 -62.9 163.0 -14.4 36.0 9.1 147 39 B D S S+ 0 0 138 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.940 81.4 134.9 69.7 47.5 -16.1 39.3 9.9 148 40 B L - 0 0 31 -4,-0.0 -1,-0.3 -6,-0.0 5,-0.1 -0.993 62.1-109.9-132.6 124.7 -12.9 40.6 11.6 149 41 B S > - 0 0 53 -2,-0.4 4,-2.9 1,-0.2 5,-0.1 -0.222 17.8-139.2 -52.7 132.6 -11.5 44.1 11.0 150 42 B P H > S+ 0 0 89 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.860 105.0 57.8 -62.6 -33.8 -8.2 43.9 9.0 151 43 B N H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.911 112.0 39.7 -61.6 -43.9 -6.8 46.6 11.3 152 44 B I H > S+ 0 0 34 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.887 115.4 53.3 -73.1 -40.2 -7.5 44.3 14.3 153 45 B L H X S+ 0 0 29 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.965 113.5 40.5 -59.1 -55.7 -6.3 41.2 12.4 154 46 B N H X S+ 0 0 15 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.822 110.0 59.1 -66.1 -31.4 -3.0 42.7 11.4 155 47 B C H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.937 107.0 48.7 -62.1 -43.5 -2.4 44.3 14.8 156 48 B G H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.897 107.6 53.9 -61.8 -42.2 -2.7 40.9 16.3 157 49 B E H X S+ 0 0 10 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.894 110.3 47.3 -60.7 -40.5 -0.2 39.4 13.8 158 50 B E H X S+ 0 0 44 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.873 111.7 49.7 -70.0 -34.5 2.3 42.0 14.7 159 51 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 110.3 52.5 -66.6 -42.1 1.7 41.5 18.4 160 52 B F H X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.907 112.0 44.2 -58.2 -45.5 2.2 37.7 17.8 161 53 B M H X S+ 0 0 20 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.844 110.0 55.2 -71.2 -32.9 5.5 38.3 16.0 162 54 B A H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.937 108.9 48.8 -64.2 -43.7 6.7 40.8 18.7 163 55 B A H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.871 102.8 61.7 -63.2 -36.4 6.1 38.1 21.3 164 56 B E H 3< S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 101.4 53.6 -60.2 -29.9 8.0 35.5 19.2 165 57 B R T << S+ 0 0 26 -4,-1.1 12,-2.6 -3,-0.7 2,-0.3 0.504 87.6 106.3 -83.0 -5.4 11.1 37.7 19.5 166 58 B F B < +f 177 0D 10 -3,-1.7 12,-0.2 -4,-0.3 13,-0.1 -0.588 40.1 169.5 -80.5 135.3 10.8 37.8 23.3 167 59 B E - 0 0 9 10,-2.6 5,-0.2 -2,-0.3 12,-0.1 -0.905 23.1-159.7-147.0 114.3 13.3 35.7 25.4 168 60 B P + 0 0 66 0, 0.0 11,-0.1 0, 0.0 2,-0.1 0.757 64.4 99.3 -65.9 -26.2 13.6 36.0 29.2 169 61 B D S > S- 0 0 56 1,-0.1 3,-1.6 2,-0.1 -2,-0.1 -0.387 74.7-134.5 -67.2 138.7 17.1 34.5 29.4 170 62 B A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 8,-0.0 0.722 104.9 61.9 -63.4 -21.4 20.0 36.9 29.6 171 63 B D T 3 S+ 0 0 119 3,-0.0 -1,-0.3 0, 0.0 3,-0.1 0.137 77.7 144.4 -92.6 21.3 21.8 34.9 27.0 172 64 B R < - 0 0 67 -3,-1.6 6,-0.1 -5,-0.2 -6,-0.0 -0.060 60.7 -86.4 -54.7 160.7 19.1 35.6 24.4 173 65 B A > - 0 0 32 1,-0.1 3,-1.7 4,-0.1 -1,-0.1 -0.283 40.1-108.5 -66.6 157.7 20.1 36.0 20.7 174 66 B N T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.788 120.4 51.5 -61.4 -25.5 21.1 39.6 19.7 175 67 B Y T 3 S+ 0 0 39 -114,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.521 96.1 88.6 -88.6 -5.6 17.9 39.9 17.7 176 68 B E < - 0 0 30 -3,-1.7 2,-0.3 -115,-0.1 -10,-0.2 -0.492 67.5-141.0 -89.2 162.8 15.7 38.8 20.6 177 69 B I B -f 166 0D 33 -12,-2.6 -10,-2.6 -15,-0.2 2,-0.1 -0.861 4.2-128.7-125.5 159.9 14.3 41.2 23.3 178 70 B D > - 0 0 56 -2,-0.3 4,-2.1 -12,-0.2 5,-0.2 -0.262 46.2 -86.8 -92.0-176.6 13.7 41.2 27.0 179 71 B D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 128.0 54.0 -64.8 -33.3 10.4 42.1 28.7 180 72 B N H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 110.5 47.3 -64.3 -44.3 11.1 45.8 28.7 181 73 B G H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 109.9 52.9 -63.7 -36.7 11.8 45.7 25.0 182 74 B L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.901 106.9 53.0 -66.3 -39.2 8.6 43.7 24.5 183 75 B K H X S+ 0 0 51 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.938 109.3 48.8 -60.5 -45.4 6.6 46.4 26.4 184 76 B V H X S+ 0 0 103 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.928 114.3 45.7 -59.8 -46.5 8.1 49.1 24.1 185 77 B E H X S+ 0 0 53 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.904 110.4 52.0 -64.0 -45.1 7.2 47.1 21.0 186 78 B V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.909 111.9 46.9 -59.0 -43.9 3.7 46.2 22.1 187 79 B R H X S+ 0 0 128 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.928 112.3 50.4 -63.3 -45.3 2.9 49.9 22.8 188 80 B S H X S+ 0 0 73 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.874 110.5 50.5 -60.7 -38.4 4.4 50.9 19.5 189 81 B I H X S+ 0 0 8 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.922 109.9 48.4 -67.3 -45.7 2.2 48.3 17.7 190 82 B L H <>S+ 0 0 7 -4,-2.4 5,-3.1 1,-0.2 -2,-0.2 0.909 113.0 48.0 -62.7 -41.1 -1.0 49.4 19.4 191 83 B E H ><5S+ 0 0 129 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.909 106.6 57.8 -65.6 -40.6 -0.3 53.1 18.6 192 84 B K H 3<5S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.902 114.6 36.8 -54.6 -44.6 0.5 52.2 15.0 193 85 B F T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.335 112.3-122.4 -91.2 6.7 -2.9 50.6 14.5 194 86 B K T < 5 0 0 184 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.917 360.0 360.0 52.1 48.5 -4.5 53.3 16.7 195 87 B L < 0 0 55 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.659 360.0 360.0-119.6 360.0 -5.8 50.7 19.1