==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 03-MAR-10 2X7R . COMPND 2 MOLECULE: TRANSMEMBRANE PROTEIN GP41; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR G.NATRAJAN,V.BUZON,W.WEISSENHORN . 293 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 90.4 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 . 0 0.0 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 . 0 0.0 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 82.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 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 6 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 542 A R 0 0 188 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 45.5 28.2 -31.9 2 543 A Q > - 0 0 130 1,-0.2 4,-1.4 2,-0.1 75,-0.1 -0.139 360.0-130.0 -38.1 143.8 48.4 30.2 -33.1 3 544 A L H > S+ 0 0 23 2,-0.2 4,-2.6 74,-0.2 -1,-0.2 0.834 111.5 53.9 -67.2 -32.2 51.5 29.1 -31.2 4 545 A L H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.879 102.9 54.2 -72.4 -39.7 52.1 32.8 -30.6 5 546 A S H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 112.3 45.8 -54.2 -47.6 48.7 33.3 -29.1 6 547 A G H X S+ 0 0 2 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.929 113.0 47.8 -65.2 -48.7 49.5 30.4 -26.7 7 548 A I H >X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 3,-0.5 0.965 115.0 44.8 -56.4 -57.4 52.9 31.6 -25.7 8 549 A V H 3X S+ 0 0 93 -4,-2.6 4,-1.7 1,-0.3 -2,-0.2 0.910 113.9 49.2 -56.9 -45.4 51.8 35.2 -25.1 9 550 A Q H 3X S+ 0 0 53 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.780 110.0 54.6 -62.8 -23.7 48.7 34.0 -23.2 10 551 A Q H X S+ 0 0 115 -4,-3.0 4,-2.7 1,-0.2 3,-0.8 0.937 108.7 54.0 -66.5 -45.9 55.4 37.0 15.6 36 577 A Q H 3< S+ 0 0 133 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 105.9 56.4 -59.7 -22.8 58.6 39.0 15.9 37 578 A A H 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.811 110.7 41.3 -77.7 -32.4 56.5 41.5 17.9 38 579 A R H << 0 0 154 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.820 360.0 360.0 -84.9 -36.6 55.4 38.9 20.4 39 580 A I < 0 0 188 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.931 360.0 360.0 -71.3 360.0 58.7 37.2 20.8 40 !* 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 41 623 B M > 0 0 113 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.2 41.3 42.5 18.1 42 624 B D H > + 0 0 73 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.854 360.0 62.5 -96.4 -40.1 43.9 40.0 17.0 43 625 B D H > S+ 0 0 67 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.846 108.4 52.3 -51.8 -31.4 42.1 36.7 16.7 44 626 B D H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.896 109.9 46.5 -65.8 -45.7 40.2 38.7 14.2 45 627 B D H X S+ 0 0 71 -4,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.901 112.0 50.9 -61.7 -42.4 43.5 39.6 12.6 46 628 B K H X S+ 0 0 77 -4,-3.8 4,-1.3 1,-0.2 -1,-0.2 0.762 112.7 45.8 -69.9 -25.8 44.6 36.0 12.7 47 629 B M H X S+ 0 0 3 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.813 110.8 52.1 -86.0 -32.4 41.5 34.7 11.1 48 630 B E H X S+ 0 0 37 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.821 110.3 50.4 -68.7 -31.6 41.6 37.4 8.4 49 631 B W H X S+ 0 0 70 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.851 108.8 49.3 -78.1 -39.1 45.2 36.4 7.7 50 632 B D H X S+ 0 0 36 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.907 108.8 56.2 -62.9 -41.7 44.3 32.7 7.3 51 633 B R H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.889 110.7 41.9 -56.3 -46.1 41.5 33.7 5.0 52 634 B E H X S+ 0 0 45 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.841 110.7 56.1 -76.5 -35.1 43.8 35.5 2.6 53 635 B I H X S+ 0 0 34 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.985 112.9 43.7 -51.5 -55.2 46.4 32.8 2.8 54 636 B N H X S+ 0 0 49 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.928 112.0 51.6 -57.8 -52.3 43.7 30.4 1.7 55 637 B N H X S+ 0 0 29 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.891 116.4 40.0 -52.4 -46.5 42.3 32.8 -1.0 56 638 B Y H X S+ 0 0 56 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.931 111.7 56.2 -72.6 -45.6 45.8 33.3 -2.6 57 639 B T H X S+ 0 0 45 -4,-3.2 4,-2.2 -5,-0.3 5,-0.2 0.945 110.3 46.0 -47.7 -54.0 46.8 29.7 -2.2 58 640 B S H X S+ 0 0 47 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.899 112.1 50.2 -56.6 -49.4 43.7 28.6 -4.2 59 641 B L H X S+ 0 0 17 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.921 110.5 50.7 -54.3 -50.2 44.2 31.2 -6.9 60 642 B I H X S+ 0 0 8 -4,-2.8 4,-3.8 2,-0.2 -2,-0.2 0.941 109.2 47.5 -57.6 -54.9 47.9 30.2 -7.4 61 643 B H H X S+ 0 0 121 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.864 114.5 49.3 -57.5 -35.6 47.3 26.4 -7.7 62 644 B S H X S+ 0 0 57 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.867 111.7 47.4 -69.1 -38.5 44.6 27.3 -10.2 63 645 B L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.942 112.9 50.4 -65.0 -43.1 46.9 29.6 -12.1 64 646 B I H X S+ 0 0 61 -4,-3.8 4,-2.8 1,-0.2 -2,-0.2 0.938 110.4 49.3 -57.8 -50.8 49.5 26.8 -12.0 65 647 B E H X S+ 0 0 82 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.908 111.3 48.7 -49.4 -50.5 47.0 24.3 -13.3 66 648 B E H X S+ 0 0 53 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.867 111.3 51.4 -63.7 -34.1 46.0 26.7 -16.1 67 649 B S H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.918 108.9 49.4 -69.6 -42.9 49.7 27.2 -16.9 68 650 B Q H X S+ 0 0 126 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.922 113.3 47.3 -61.9 -41.6 50.3 23.5 -17.0 69 651 B N H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.905 113.9 47.8 -61.4 -42.5 47.3 23.1 -19.4 70 652 B Q H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.862 108.7 53.6 -69.1 -35.9 48.6 26.0 -21.4 71 653 B Q H X S+ 0 0 83 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.943 108.9 50.2 -62.5 -48.0 52.1 24.6 -21.5 72 654 B E H X S+ 0 0 137 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.924 111.9 46.4 -52.0 -52.5 50.6 21.3 -22.9 73 655 B K H X S+ 0 0 83 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.917 111.8 52.9 -61.3 -42.2 48.7 23.1 -25.6 74 656 B N H X S+ 0 0 13 -4,-2.6 4,-1.5 1,-0.2 3,-0.2 0.922 108.1 48.1 -60.6 -49.2 51.7 25.2 -26.5 75 657 B E H X S+ 0 0 110 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.810 109.7 55.8 -63.2 -27.6 54.0 22.2 -27.0 76 658 B Q H X S+ 0 0 112 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.880 108.7 45.2 -67.3 -39.8 51.3 20.6 -29.1 77 659 B E H X S+ 0 0 16 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.718 109.2 55.4 -86.1 -18.7 51.1 23.4 -31.5 78 660 B L H X S+ 0 0 103 -4,-1.5 4,-2.9 -5,-0.2 -1,-0.2 0.867 112.3 44.6 -72.3 -38.8 54.9 23.8 -31.8 79 661 B L H X S+ 0 0 113 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.889 112.4 49.3 -75.4 -38.7 55.0 20.1 -32.8 80 662 B E H < S+ 0 0 147 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.895 112.6 50.6 -65.2 -37.2 52.1 20.4 -35.2 81 663 B L H < S+ 0 0 120 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.974 102.6 57.4 -57.5 -59.5 53.9 23.4 -36.6 82 664 B D H < 0 0 115 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 360.0 360.0 -31.8 -48.5 57.1 21.4 -36.9 83 665 B K < 0 0 204 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.867 360.0 360.0 97.0 360.0 54.9 19.2 -39.1 84 !* 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 85 624 C D 0 0 108 0, 0.0 4,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -9.6 41.3 41.4 -20.8 86 625 C D + 0 0 132 2,-0.1 4,-0.4 1,-0.1 0, 0.0 0.757 360.0 36.5 -93.4 -31.6 40.2 37.8 -21.1 87 626 C D S > S+ 0 0 7 2,-0.1 4,-0.8 1,-0.1 -1,-0.1 0.296 109.0 64.8-104.1 7.9 41.8 36.8 -17.8 88 627 C D H > S+ 0 0 71 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.829 92.4 59.2 -96.3 -42.2 41.0 40.1 -16.0 89 628 C K H > S+ 0 0 111 -4,-0.5 4,-2.1 1,-0.2 5,-0.2 0.937 107.1 51.7 -41.4 -50.6 37.2 39.7 -16.1 90 629 C M H > S+ 0 0 60 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.941 105.2 51.8 -58.8 -53.1 37.8 36.5 -14.1 91 630 C E H X S+ 0 0 43 -4,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.833 109.9 51.7 -52.3 -37.6 40.0 38.1 -11.4 92 631 C W H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.902 111.9 45.4 -65.0 -43.1 37.2 40.7 -10.9 93 632 C D H X S+ 0 0 57 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.868 112.6 52.8 -66.9 -38.8 34.7 37.9 -10.5 94 633 C R H X S+ 0 0 66 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.964 115.5 38.5 -57.3 -59.6 37.1 36.1 -8.2 95 634 C E H X S+ 0 0 66 -4,-2.8 4,-2.1 1,-0.2 5,-0.4 0.882 113.8 57.4 -64.6 -38.5 37.6 39.1 -5.9 96 635 C I H X S+ 0 0 24 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.968 111.1 41.6 -54.5 -52.3 33.9 39.9 -6.3 97 636 C N H X S+ 0 0 52 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.789 112.7 54.8 -71.7 -24.1 32.8 36.6 -5.0 98 637 C N H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.881 111.5 40.9 -74.8 -42.3 35.5 36.4 -2.2 99 638 C Y H X S+ 0 0 26 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.789 113.5 56.1 -75.5 -28.9 34.6 39.7 -0.5 100 639 C T H X S+ 0 0 39 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.893 109.8 44.7 -68.1 -39.0 30.9 38.9 -1.0 101 640 C S H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.894 113.4 51.9 -69.0 -40.0 31.4 35.7 0.9 102 641 C L H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.951 109.6 47.7 -62.8 -49.7 33.5 37.5 3.5 103 642 C I H X S+ 0 0 10 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.920 110.9 52.8 -56.9 -43.5 30.7 40.2 4.0 104 643 C H H X S+ 0 0 109 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.933 110.2 47.1 -56.9 -47.1 28.1 37.4 4.3 105 644 C S H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.943 111.4 51.9 -58.1 -48.2 30.2 35.7 7.0 106 645 C L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.829 109.9 46.9 -59.8 -39.9 30.7 38.9 8.9 107 646 C I H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.857 112.1 52.8 -67.6 -38.6 27.0 39.8 9.0 108 647 C E H X S+ 0 0 76 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.950 110.1 46.5 -60.5 -49.9 26.3 36.2 10.1 109 648 C E H X S+ 0 0 21 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.899 115.3 48.1 -59.3 -39.8 28.9 36.6 12.9 110 649 C S H X S+ 0 0 11 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.808 107.0 54.9 -69.5 -35.7 27.2 40.0 13.8 111 650 C Q H X S+ 0 0 118 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.877 113.4 42.5 -65.1 -40.8 23.7 38.6 13.7 112 651 C N H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.827 113.3 51.2 -74.5 -34.9 24.7 36.0 16.3 113 652 C Q H X S+ 0 0 31 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.826 109.9 51.6 -70.3 -31.2 26.7 38.4 18.4 114 653 C Q H X S+ 0 0 82 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.883 107.6 51.0 -70.3 -42.9 23.7 40.7 18.5 115 654 C E H X S+ 0 0 113 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.937 113.7 47.1 -52.3 -47.3 21.5 37.8 19.6 116 655 C K H X S+ 0 0 108 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.893 110.5 50.2 -65.1 -45.4 24.0 37.2 22.4 117 656 C N H X S+ 0 0 12 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.766 108.9 51.5 -64.9 -32.2 24.3 40.9 23.4 118 657 C E H X S+ 0 0 116 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.809 113.0 46.1 -78.1 -32.2 20.6 41.3 23.7 119 658 C Q H X S+ 0 0 113 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.964 111.0 50.3 -66.9 -58.3 20.3 38.2 26.0 120 659 C E H X S+ 0 0 24 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.886 117.2 44.4 -45.9 -40.4 23.3 39.3 28.1 121 660 C L H >X S+ 0 0 70 -4,-1.4 4,-2.4 2,-0.2 3,-0.8 0.907 108.3 52.6 -77.7 -46.7 21.5 42.6 28.4 122 661 C L H 3X S+ 0 0 85 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.942 110.8 52.1 -46.0 -48.8 18.0 41.3 29.0 123 662 C E H 3X S+ 0 0 94 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.675 108.8 49.4 -67.1 -20.6 19.6 39.3 31.9 124 663 C L H X S+ 0 0 88 -4,-3.2 3,-2.0 1,-0.2 4,-1.2 0.996 115.0 35.3 -63.8 -64.7 16.3 42.3 41.3 131 670 C W H 3X S+ 0 0 92 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.823 108.0 69.7 -59.4 -30.7 18.9 43.5 43.7 132 671 C N H 3< S+ 0 0 108 -4,-3.2 4,-0.4 -5,-0.3 -1,-0.3 0.382 102.0 48.6 -69.1 6.5 17.5 47.0 43.2 133 672 C W H <> S+ 0 0 185 -3,-2.0 4,-3.4 -5,-0.2 -2,-0.2 0.759 103.0 52.0-110.8 -48.8 14.5 45.6 45.2 134 673 C F H X S+ 0 0 115 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.874 115.2 51.3 -51.3 -35.1 16.0 44.0 48.2 135 674 C N H X S+ 0 0 106 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.998 114.3 35.9 -65.7 -70.5 17.8 47.3 48.6 136 675 C I H 4 S+ 0 0 90 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.856 120.9 56.1 -48.4 -39.0 14.8 49.7 48.3 137 676 C T H < S+ 0 0 86 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.993 98.2 49.8 -62.6 -75.9 12.8 47.1 50.2 138 677 C N H < S- 0 0 118 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.2 0.771 134.8 -50.3 -38.2 -42.7 14.6 46.3 53.5 139 678 C W < - 0 0 177 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.1 -0.803 51.3-124.3 175.0 156.4 14.8 50.1 54.2 140 679 C L + 0 0 124 -2,-0.2 2,-0.6 -3,-0.1 -4,-0.1 -0.650 32.0 172.2-122.2 79.9 16.0 53.0 52.1 141 680 C W 0 0 186 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.741 360.0 360.0 -88.8 122.6 18.7 55.1 53.8 142 681 C Y 0 0 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