==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 11-NOV-09 2WY0 . COMPND 2 MOLECULE: ANGIOTENSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.ZHOU,Z.WEI,R.W.CARRELL,R.J.READ . 424 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 1 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 0 2 1 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 1 C D 0 0 183 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.2 27.6 -12.5 3.0 2 2 C R - 0 0 179 2,-0.0 2,-0.2 1,-0.0 0, 0.0 -0.721 360.0-150.6 -82.3 106.2 26.4 -10.6 -0.1 3 3 C V - 0 0 61 -2,-0.9 2,-0.4 2,-0.0 -1,-0.0 -0.516 12.2-166.7 -78.6 136.7 27.5 -12.8 -3.0 4 4 C Y - 0 0 130 -2,-0.2 2,-0.4 119,-0.0 119,-0.2 -0.995 9.9-149.9-126.0 139.2 28.3 -11.2 -6.3 5 5 C I - 0 0 10 117,-2.4 60,-0.0 -2,-0.4 116,-0.0 -0.905 4.3-165.8-104.5 134.3 28.7 -12.9 -9.7 6 6 C H - 0 0 135 -2,-0.4 2,-2.2 117,-0.1 3,-0.2 -0.670 8.2-179.4-118.0 74.0 31.1 -11.3 -12.2 7 7 C P > + 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.428 5.9 173.1 -81.1 74.0 30.3 -13.1 -15.5 8 8 C F G > S+ 0 0 120 -2,-2.2 3,-1.6 1,-0.3 54,-0.1 0.842 72.6 57.1 -52.4 -40.9 32.8 -11.3 -17.6 9 9 C H G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.2 53,-0.1 0.628 105.5 51.6 -69.6 -11.9 32.2 -13.4 -20.7 10 10 C L G < S+ 0 0 0 -3,-2.3 125,-3.2 2,-0.1 -1,-0.3 0.380 94.2 93.2-102.0 -0.2 28.5 -12.5 -20.8 11 11 C L B < S-A 134 0A 20 -3,-1.6 2,-0.4 -4,-0.4 123,-0.2 -0.372 86.5 -95.6 -86.4 168.4 29.0 -8.7 -20.6 12 12 C Y - 0 0 56 121,-1.9 121,-0.1 118,-0.4 -1,-0.1 -0.729 35.2-176.4 -77.0 134.2 29.2 -6.1 -23.4 13 13 C H + 0 0 90 -2,-0.4 2,-0.8 1,-0.1 -1,-0.1 0.656 61.8 73.1-105.8 -21.9 32.9 -5.5 -24.2 14 14 C N > - 0 0 84 1,-0.2 4,-0.8 116,-0.1 3,-0.3 -0.832 58.5-165.7-103.1 104.7 32.5 -2.7 -26.9 15 15 C K T 4 S+ 0 0 131 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.890 89.0 57.3 -53.6 -44.7 31.5 0.7 -25.4 16 16 C S T 4 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.908 93.6 69.7 -51.6 -49.2 30.6 2.0 -28.9 17 17 C T T 4 0 0 97 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 360.0 360.0 -33.2 -69.0 28.1 -0.8 -29.5 18 18 C a < 0 0 100 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.849 360.0 360.0 -63.4 360.0 25.5 0.4 -26.9 19 ! 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 20 27 C E 0 0 244 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 47.2 20.2 8.5 -37.4 21 28 C T - 0 0 130 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.993 360.0-114.4-150.4 134.5 18.3 5.2 -36.8 22 29 C L - 0 0 161 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.494 46.4-103.3 -60.8 138.7 15.9 3.0 -38.9 23 30 C P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.454 46.9-104.1 -58.4 140.5 12.5 3.0 -37.2 24 31 C E - 0 0 93 -2,-0.1 2,-0.2 1,-0.1 -3,-0.0 -0.492 35.0-120.1 -75.1 141.7 12.2 -0.4 -35.5 25 32 C S - 0 0 79 -2,-0.1 149,-2.8 -3,-0.1 150,-0.3 -0.566 33.4-179.6 -81.6 147.6 10.0 -3.0 -37.3 26 33 C T E -B 173 0B 34 147,-0.3 2,-0.3 -2,-0.2 147,-0.2 -0.890 10.8-162.9-139.9 162.6 6.9 -4.5 -35.7 27 34 C F E -B 172 0B 65 145,-1.8 145,-1.9 -2,-0.3 0, 0.0 -0.955 24.6-116.9-139.3 166.3 4.2 -7.0 -36.4 28 35 C E - 0 0 93 -2,-0.3 143,-0.1 143,-0.2 163,-0.1 -0.929 35.2-123.6-101.5 124.5 0.8 -7.9 -35.1 29 36 C P - 0 0 6 0, 0.0 161,-0.2 0, 0.0 140,-0.2 -0.261 31.8-103.8 -62.1 152.8 0.6 -11.5 -33.7 30 37 C V E -d 190 0C 74 159,-0.6 161,-1.9 1,-0.1 0, 0.0 -0.417 47.6 -86.5 -75.8 153.8 -2.1 -13.7 -35.2 31 38 C P E > -d 191 0C 67 0, 0.0 3,-2.3 0, 0.0 161,-0.2 -0.264 37.6-111.0 -61.4 150.3 -5.2 -14.3 -33.1 32 39 C I T 3 S+ 0 0 10 159,-3.0 160,-0.1 1,-0.3 -2,-0.1 0.733 115.6 61.1 -53.2 -28.0 -5.1 -17.2 -30.6 33 40 C Q T 3 S+ 0 0 125 158,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.587 73.7 121.8 -73.3 -17.9 -7.6 -19.2 -32.7 34 41 C A S < S- 0 0 38 -3,-2.3 2,-0.2 1,-0.1 -4,-0.0 -0.230 78.3 -97.2 -54.9 141.0 -5.4 -19.3 -35.8 35 42 C K - 0 0 214 1,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.423 49.9-175.3 -68.0 123.2 -4.7 -22.9 -36.9 36 43 C T - 0 0 46 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.0 -0.971 24.5-127.6-127.6 134.3 -1.3 -24.1 -35.5 37 44 C S - 0 0 103 -2,-0.4 3,-0.1 1,-0.1 175,-0.0 -0.563 40.9-103.7 -72.1 140.2 0.7 -27.3 -35.9 38 45 C P - 0 0 87 0, 0.0 175,-0.2 0, 0.0 174,-0.1 -0.303 41.7 -93.4 -63.5 149.4 1.7 -29.0 -32.7 39 46 C V - 0 0 26 173,-3.6 2,-0.8 1,-0.1 3,-0.1 -0.413 32.2-135.3 -56.3 134.1 5.3 -28.6 -31.5 40 47 C N > - 0 0 91 1,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.866 14.3-165.8 -94.4 106.7 7.5 -31.5 -32.6 41 48 C E H > S+ 0 0 35 -2,-0.8 4,-1.8 1,-0.2 117,-0.2 0.758 87.9 52.6 -65.9 -25.8 9.5 -32.5 -29.5 42 49 C K H > S+ 0 0 141 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.857 107.1 51.3 -75.4 -39.0 12.0 -34.6 -31.5 43 50 C T H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.889 112.4 47.7 -63.8 -40.4 12.7 -31.7 -34.0 44 51 C L H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 3,-0.2 0.937 113.3 48.1 -60.6 -50.7 13.4 -29.4 -31.0 45 52 C H H X S+ 0 0 41 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.956 108.5 52.5 -55.0 -56.4 15.7 -32.1 -29.4 46 53 C D H X S+ 0 0 77 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.770 113.0 46.8 -56.2 -29.6 17.6 -32.7 -32.7 47 54 C Q H >X S+ 0 0 96 -4,-1.2 4,-2.3 -3,-0.2 3,-0.9 0.966 108.1 51.0 -74.6 -57.8 18.3 -29.0 -32.9 48 55 C L H 3< S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.799 109.2 56.5 -47.0 -32.6 19.4 -28.3 -29.3 49 56 C V H >X S+ 0 0 46 -4,-2.1 4,-0.9 -5,-0.2 3,-0.8 0.857 104.9 49.0 -71.6 -39.2 21.7 -31.3 -29.9 50 57 C L H XX S+ 0 0 103 -4,-1.0 4,-0.9 -3,-0.9 3,-0.9 0.935 106.9 57.9 -58.6 -46.1 23.3 -29.5 -33.0 51 58 C A H 3< S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.473 113.5 37.5 -70.4 -0.8 23.7 -26.4 -30.8 52 59 C A H <4 S+ 0 0 12 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.456 98.7 81.9-118.8 -12.7 25.8 -28.3 -28.3 53 60 C E H << S+ 0 0 113 -4,-0.9 2,-0.7 -3,-0.9 -2,-0.2 0.975 96.6 34.1 -60.8 -61.9 27.7 -30.4 -30.8 54 61 C K S < S+ 0 0 166 -4,-0.9 2,-0.4 2,-0.0 -1,-0.2 -0.876 74.3 154.4-106.6 113.4 30.4 -27.9 -31.8 55 62 C L - 0 0 27 -2,-0.7 -3,-0.0 -3,-0.2 -4,-0.0 -0.967 29.9-145.5-142.0 117.2 31.5 -25.6 -29.1 56 63 C E > - 0 0 133 -2,-0.4 4,-1.4 1,-0.1 3,-0.5 -0.204 40.9 -94.4 -70.4 169.4 34.9 -23.9 -28.7 57 64 C D H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 3,-0.1 0.874 125.5 59.3 -50.6 -42.3 36.5 -23.2 -25.3 58 65 C E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 101.2 53.8 -54.8 -43.8 34.9 -19.7 -25.2 59 66 C D H > S+ 0 0 62 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.886 108.8 48.4 -61.4 -41.1 31.5 -21.2 -25.5 60 67 C R H X S+ 0 0 111 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.821 107.5 55.3 -72.8 -29.5 32.1 -23.4 -22.5 61 68 C K H X S+ 0 0 112 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.928 111.2 45.0 -63.9 -43.5 33.5 -20.5 -20.5 62 69 C R H X S+ 0 0 70 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.855 111.8 52.4 -64.7 -41.2 30.2 -18.7 -21.2 63 70 C A H X S+ 0 0 3 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.833 107.0 52.7 -66.9 -34.0 28.2 -21.8 -20.3 64 71 C A H X S+ 0 0 39 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.858 112.5 45.2 -69.1 -35.2 30.0 -22.1 -17.0 65 72 C Q H X S+ 0 0 36 -4,-1.4 4,-1.7 2,-0.2 3,-0.3 0.894 109.8 52.3 -79.0 -38.9 29.1 -18.5 -16.1 66 73 C V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.834 104.7 60.3 -61.1 -30.8 25.5 -18.7 -17.2 67 74 C A H X S+ 0 0 2 -4,-1.3 4,-2.8 2,-0.2 351,-0.3 0.891 102.7 50.1 -62.4 -43.0 25.3 -21.8 -14.9 68 75 C M H X S+ 0 0 84 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.917 113.4 43.9 -63.7 -48.1 26.2 -19.7 -11.8 69 76 C I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.885 114.6 51.1 -66.0 -38.2 23.7 -17.0 -12.5 70 77 C T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.949 112.9 44.5 -62.4 -51.2 21.0 -19.6 -13.3 71 78 C N H X S+ 0 0 12 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.945 113.3 49.9 -60.0 -49.1 21.6 -21.6 -10.1 72 79 C F H X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.892 114.4 43.4 -60.7 -43.7 21.7 -18.6 -7.8 73 80 C V H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.897 113.4 53.4 -70.5 -37.5 18.5 -17.1 -9.1 74 81 C G H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.945 110.4 46.9 -58.1 -53.0 16.9 -20.6 -9.1 75 82 C F H X S+ 0 0 3 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.862 113.2 49.3 -53.3 -41.0 17.9 -21.0 -5.4 76 83 C R H X S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.935 115.3 42.2 -70.2 -41.8 16.6 -17.5 -4.6 77 84 C M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.842 109.8 57.3 -74.5 -31.3 13.2 -18.1 -6.3 78 85 C Y H X S+ 0 0 2 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.927 107.5 49.2 -61.1 -41.8 12.9 -21.6 -4.9 79 86 C K H X S+ 0 0 66 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.926 111.1 49.7 -60.9 -43.9 13.2 -20.0 -1.5 80 87 C M H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.904 107.7 55.2 -60.4 -42.4 10.5 -17.4 -2.5 81 88 C L H X S+ 0 0 10 -4,-3.0 4,-1.2 1,-0.2 3,-0.3 0.928 108.6 46.7 -54.8 -49.4 8.3 -20.3 -3.7 82 89 C N H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.4 54.1 -66.9 -33.8 8.5 -22.1 -0.3 83 90 C E H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.6 45.9 -67.0 -33.1 7.7 -18.8 1.6 84 91 C A H < S- 0 0 56 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.697 114.2-125.1 -80.8 -21.0 4.6 -18.3 -0.5 85 92 C G < - 0 0 55 -4,-1.2 -3,-0.1 -5,-0.2 -2,-0.1 0.626 22.2-153.9 78.6 128.6 3.5 -22.0 -0.0 86 93 C S - 0 0 44 1,-0.4 4,-0.3 -4,-0.1 -1,-0.1 -0.348 43.1 -62.8-140.0 60.6 2.7 -24.2 -3.0 87 94 C G - 0 0 65 1,-0.1 -1,-0.4 2,-0.1 3,-0.1 0.044 52.1 -92.8 83.7 163.8 0.4 -27.3 -2.7 88 95 C A S S+ 0 0 86 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.726 113.5 66.5 -90.1 -25.4 0.6 -30.4 -0.6 89 96 C S S S- 0 0 64 1,-0.2 336,-3.4 336,-0.2 337,-1.7 0.781 111.6-104.9 -70.2 -25.2 2.3 -32.8 -3.0 90 97 C G E -M 424 0D 6 -4,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.998 37.5 -59.9 148.6-142.7 5.4 -30.6 -2.9 91 98 C A E +M 423 0D 7 332,-1.8 332,-2.1 -2,-0.3 2,-0.3 -0.978 33.3 179.2-143.8 149.6 7.5 -28.0 -4.9 92 99 C I E +M 422 0D 9 -2,-0.3 2,-0.3 330,-0.2 330,-0.2 -0.946 3.8 173.2-151.8 137.8 9.2 -27.9 -8.2 93 100 C L E -M 421 0D 0 328,-2.5 328,-2.1 -2,-0.3 -15,-0.0 -0.998 21.8-147.5-143.8 142.3 11.2 -25.1 -10.0 94 101 C S > - 0 0 1 -2,-0.3 4,-2.1 326,-0.2 3,-0.3 -0.899 6.9-166.0-106.6 104.9 13.2 -25.0 -13.2 95 102 C P H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.927 87.7 53.9 -58.3 -43.5 16.1 -22.5 -12.9 96 103 C P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.867 112.2 45.2 -55.8 -37.2 16.8 -22.4 -16.7 97 104 C A H > S+ 0 0 1 -3,-0.3 4,-2.1 322,-0.2 5,-0.1 0.876 116.0 44.5 -73.2 -40.3 13.2 -21.6 -17.5 98 105 C L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.946 116.6 46.8 -70.1 -45.2 12.9 -18.9 -14.8 99 106 C F H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 5,-0.2 0.917 111.2 51.7 -61.0 -47.6 16.2 -17.5 -15.7 100 107 C G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.898 110.1 50.5 -56.4 -42.9 15.3 -17.5 -19.4 101 108 C T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.936 110.5 48.2 -59.6 -48.8 12.1 -15.7 -18.6 102 109 C L H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.871 112.1 48.8 -62.4 -37.3 13.9 -13.0 -16.6 103 110 C V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.852 105.8 57.8 -73.9 -35.0 16.5 -12.5 -19.4 104 111 C S H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.971 109.4 44.7 -56.5 -53.9 13.8 -12.2 -22.0 105 112 C F H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.5 0.886 110.3 55.7 -53.0 -42.0 12.2 -9.3 -20.1 106 113 C Y H >< S+ 0 0 19 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.876 104.2 53.3 -60.9 -42.1 15.7 -7.8 -19.6 107 114 C L H 3< S+ 0 0 29 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.761 113.0 44.3 -61.6 -29.0 16.2 -7.8 -23.3 108 115 C G T << S+ 0 0 0 -4,-1.2 259,-2.2 -3,-0.5 260,-0.4 0.462 105.0 87.6 -92.5 0.9 12.9 -5.9 -23.7 109 116 C S < - 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