==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 02-MAR-10 3M0A . COMPND 2 MOLECULE: TNF RECEPTOR-ASSOCIATED FACTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.KABALEESWARAN,H.WU . 260 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 84.2 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 66.5 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+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 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 267 A E >> 0 0 174 0, 0.0 4,-2.1 0, 0.0 3,-2.1 0.000 360.0 360.0 360.0-118.2 20.3 41.1 64.5 2 268 A L H 3> + 0 0 40 1,-0.3 4,-0.6 2,-0.2 5,-0.0 0.673 360.0 40.2 -43.3 -39.3 23.3 40.8 66.9 3 269 A L H 3> S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.698 115.5 50.3 -83.4 -23.9 21.3 40.1 70.1 4 270 A Q H <> S+ 0 0 121 -3,-2.1 4,-2.3 2,-0.2 5,-0.2 0.821 109.5 52.1 -74.3 -38.1 18.8 37.8 68.5 5 271 A R H X S+ 0 0 77 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.745 112.6 47.0 -68.8 -22.2 21.6 35.9 66.9 6 272 A C H X S+ 0 0 4 -4,-0.6 4,-2.3 -5,-0.4 -2,-0.2 0.864 109.7 50.3 -88.6 -44.4 23.1 35.6 70.4 7 273 A E H X S+ 0 0 99 -4,-1.8 4,-1.7 2,-0.2 3,-0.2 0.988 116.0 43.6 -50.7 -62.8 19.9 34.5 72.2 8 274 A S H X S+ 0 0 42 -4,-2.3 4,-3.2 1,-0.3 5,-0.3 0.874 111.6 52.8 -57.4 -45.6 19.3 31.8 69.6 9 275 A L H X S+ 0 0 1 -4,-1.3 4,-2.9 1,-0.2 -1,-0.3 0.931 111.1 47.6 -52.2 -47.0 23.0 30.7 69.6 10 276 A E H X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.816 112.6 49.3 -71.3 -26.7 22.8 30.3 73.3 11 277 A K H X S+ 0 0 157 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.903 113.9 44.8 -73.3 -46.8 19.5 28.4 73.0 12 278 A K H X S+ 0 0 119 -4,-3.2 4,-3.4 2,-0.2 5,-0.2 0.941 114.7 50.5 -53.8 -52.9 20.9 26.0 70.4 13 279 A T H X S+ 0 0 11 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.911 109.0 48.7 -59.0 -51.8 24.1 25.6 72.4 14 280 A A H < S+ 0 0 55 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.855 117.4 41.7 -58.4 -39.3 22.3 24.8 75.7 15 281 A T H >X S+ 0 0 72 -4,-1.7 4,-3.0 2,-0.2 3,-1.2 0.866 109.4 57.2 -76.0 -43.2 20.1 22.1 74.0 16 282 A F H 3X S+ 0 0 20 -4,-3.4 4,-2.4 1,-0.3 5,-0.2 0.962 101.5 58.2 -51.0 -51.3 22.8 20.7 71.9 17 283 A E H 3X S+ 0 0 45 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.3 0.775 112.5 40.4 -53.3 -23.2 24.7 20.1 75.1 18 284 A N H <> S+ 0 0 103 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.2 0.853 107.4 58.5 -96.6 -38.0 21.6 17.9 76.2 19 285 A I H X S+ 0 0 81 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.907 104.2 55.6 -47.4 -50.3 20.9 16.1 73.0 20 286 A V H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.887 105.9 49.5 -55.6 -41.2 24.5 14.9 73.2 21 287 A C H X S+ 0 0 66 -4,-0.6 4,-1.9 -5,-0.2 -1,-0.2 0.867 110.9 50.5 -67.0 -32.3 23.8 13.4 76.7 22 288 A V H X S+ 0 0 91 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.966 112.4 48.9 -61.9 -50.2 20.8 11.8 75.2 23 289 A L H X S+ 0 0 1 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.869 116.0 39.0 -56.0 -46.5 23.0 10.5 72.5 24 290 A N H X S+ 0 0 48 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.663 108.7 59.9 -92.2 -11.1 25.6 9.1 74.7 25 291 A R H X S+ 0 0 153 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.694 105.9 52.2 -69.6 -26.7 23.2 7.8 77.2 26 292 A E H X S+ 0 0 38 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.816 103.8 57.4 -74.2 -33.2 22.0 5.9 74.2 27 293 A V H X S+ 0 0 10 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.891 106.6 47.4 -65.6 -38.5 25.6 4.8 73.8 28 294 A E H X S+ 0 0 106 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.889 110.9 51.7 -70.9 -39.4 25.7 3.3 77.3 29 295 A R H X S+ 0 0 102 -4,-1.5 4,-1.3 2,-0.2 3,-0.4 0.972 114.6 42.3 -60.5 -51.2 22.4 1.5 76.8 30 296 A V H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-1.3 0.969 111.5 52.7 -61.8 -54.2 23.7 0.0 73.6 31 297 A A H 3X S+ 0 0 39 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.772 106.2 57.7 -48.6 -29.0 27.2 -0.9 74.9 32 298 A M H 3< S+ 0 0 69 -4,-1.5 4,-0.5 -3,-0.4 -1,-0.3 0.833 107.9 44.5 -74.2 -34.3 25.4 -2.6 77.8 33 299 A T H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 3,-0.7 0.965 105.9 46.2 -64.8 -58.7 26.9 -5.5 73.3 35 301 A E H 3X S+ 0 0 65 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.734 108.5 61.4 -53.7 -23.7 28.8 -6.9 76.3 36 302 A A H 34 S+ 0 0 44 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.2 36.2 -74.0 -34.3 25.7 -9.0 77.0 37 303 A C H << S+ 0 0 10 -4,-1.1 4,-0.3 -3,-0.7 -2,-0.2 0.766 112.6 57.4 -88.0 -26.7 25.9 -10.8 73.6 38 304 A S H >X S+ 0 0 42 -4,-2.0 4,-1.2 1,-0.2 3,-0.6 0.814 107.2 49.0 -75.4 -31.7 29.7 -10.9 73.5 39 305 A R H 3X S+ 0 0 51 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.587 103.0 66.4 -73.2 -18.4 29.8 -12.8 76.8 40 306 A Q H 34 S+ 0 0 57 2,-0.2 -2,-0.2 1,-0.2 4,-0.2 0.554 99.0 48.5 -84.5 -11.6 27.1 -15.0 75.1 41 307 A H H <> S+ 0 0 53 -3,-0.6 4,-2.7 -4,-0.3 5,-0.2 0.846 109.5 53.7 -75.2 -51.1 29.7 -16.2 72.6 42 308 A R H X S+ 0 0 56 -4,-1.2 4,-1.6 1,-0.3 -2,-0.2 0.838 114.0 39.9 -56.2 -42.1 32.2 -17.0 75.4 43 309 A L H X S+ 0 0 109 -4,-1.7 4,-1.2 2,-0.2 -1,-0.3 0.791 119.9 47.5 -71.7 -31.4 29.6 -19.1 77.3 44 310 A D H > S+ 0 0 10 -4,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.620 107.6 54.8 -93.2 -14.2 28.4 -20.6 74.0 45 311 A Q H X S+ 0 0 34 -4,-2.7 4,-2.9 2,-0.1 5,-0.2 0.938 110.8 47.5 -66.7 -54.8 32.0 -21.3 72.8 46 312 A D H < S+ 0 0 64 -4,-1.6 4,-0.3 1,-0.2 -2,-0.2 0.723 113.8 44.9 -64.1 -28.6 32.6 -23.3 76.1 47 313 A K H X S+ 0 0 42 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.821 118.5 42.8 -85.3 -34.3 29.3 -25.4 75.9 48 314 A I H X S+ 0 0 15 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.856 110.4 56.2 -74.2 -31.3 29.8 -26.2 72.2 49 315 A E H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.728 110.6 48.2 -68.8 -20.2 33.5 -26.9 72.7 50 316 A A H >> S+ 0 0 46 -4,-0.3 4,-2.0 -5,-0.2 3,-0.5 0.883 113.9 41.8 -85.7 -46.9 32.5 -29.4 75.3 51 317 A L H 3X S+ 0 0 21 -4,-1.7 4,-2.0 1,-0.3 -2,-0.2 0.853 105.6 63.2 -71.0 -38.5 29.9 -31.2 73.3 52 318 A S H 3< S+ 0 0 68 -4,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.805 110.7 44.4 -48.6 -26.5 32.0 -31.1 70.2 53 319 A S H X> S+ 0 0 68 -3,-0.5 3,-0.8 2,-0.2 4,-0.8 0.905 106.8 52.0 -91.0 -50.0 34.2 -33.3 72.4 54 320 A K H >X S+ 0 0 127 -4,-2.0 4,-2.6 1,-0.2 3,-0.7 0.881 109.9 54.7 -48.6 -41.4 31.9 -35.8 74.0 55 321 A V H 3X S+ 0 0 4 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.680 106.1 48.6 -75.7 -22.4 30.7 -36.5 70.5 56 322 A Q H <> S+ 0 0 115 -3,-0.8 4,-0.7 -4,-0.3 -1,-0.3 0.500 110.0 54.7 -88.9 -7.2 34.2 -37.3 69.3 57 323 A Q H > 0 0 174 0, 0.0 3,-2.2 0, 0.0 4,-2.2 0.000 360.0 360.0 360.0-118.9 25.1 41.6 78.2 65 268 B L H 3> + 0 0 39 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.551 360.0 42.7 -36.0 -43.9 26.2 41.2 74.6 66 269 B L H 3> S+ 0 0 113 2,-0.2 4,-0.9 3,-0.2 -1,-0.3 0.752 123.7 35.3 -77.7 -31.2 30.0 41.0 74.9 67 270 B Q H <> S+ 0 0 71 -3,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.813 117.0 53.4 -86.4 -40.1 30.2 38.7 78.0 68 271 B R H X S+ 0 0 67 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.834 112.5 48.8 -60.0 -32.7 27.1 36.7 76.8 69 272 B C H X S+ 0 0 4 -4,-1.0 4,-1.1 -5,-0.5 -1,-0.2 0.906 106.6 51.7 -76.2 -39.5 29.1 36.4 73.7 70 273 B E H X S+ 0 0 44 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.818 106.9 56.8 -65.4 -30.9 32.4 35.3 75.4 71 274 B S H X S+ 0 0 79 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.956 100.9 55.7 -62.3 -51.7 30.4 32.6 77.2 72 275 B L H X S+ 0 0 7 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.767 109.7 48.8 -50.8 -30.5 29.3 31.3 73.8 73 276 B E H X S+ 0 0 62 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.960 108.6 49.3 -74.8 -54.5 33.0 30.9 72.9 74 277 B K H >X S+ 0 0 70 -4,-2.5 4,-1.2 2,-0.2 3,-0.6 0.955 120.4 38.0 -44.4 -62.1 34.1 29.1 76.1 75 278 B K H >X S+ 0 0 35 -4,-2.2 3,-1.5 1,-0.2 4,-1.4 0.957 112.7 54.3 -57.1 -56.4 31.2 26.5 75.8 76 279 B T H 3X S+ 0 0 11 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.757 106.0 57.8 -55.4 -21.3 31.3 26.2 72.0 77 280 B A H X S+ 0 0 55 -4,-4.7 4,-2.3 1,-0.3 3,-0.6 0.948 111.2 47.4 -52.3 -50.4 33.9 1.6 69.3 93 296 B V H 3X S+ 0 0 17 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.3 0.885 107.9 54.3 -65.4 -29.4 30.4 0.4 70.0 94 297 B A H 3X S+ 0 0 22 -4,-1.8 4,-0.9 1,-0.2 -1,-0.3 0.813 110.1 47.8 -78.2 -21.5 29.6 -0.2 66.4 95 298 B M H X S+ 0 0 57 -4,-2.4 3,-2.5 1,-0.2 4,-0.6 0.965 112.3 52.9 -61.8 -55.8 32.3 -8.4 65.9 100 303 B C T 3< S+ 0 0 6 -4,-3.0 4,-0.2 1,-0.3 -2,-0.2 0.634 106.5 52.9 -52.1 -23.1 29.6 -9.7 68.4 101 304 B S T 34 S+ 0 0 42 -4,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.237 105.8 52.1-104.1 6.4 27.2 -10.5 65.5 102 305 B R T <4 S+ 0 0 147 -3,-2.5 4,-0.3 2,-0.1 -2,-0.2 0.336 101.7 61.9-115.1 -4.2 29.8 -12.6 63.8 103 306 B Q S X S+ 0 0 68 -4,-0.6 4,-1.2 2,-0.1 -2,-0.2 0.590 106.8 45.4 -83.7 -20.6 30.3 -14.5 67.1 104 307 B H T 4 S+ 0 0 32 2,-0.2 4,-0.3 -4,-0.2 -2,-0.1 0.568 102.2 63.3-101.8 -15.9 26.6 -15.6 66.8 105 308 B R T 4 S+ 0 0 50 2,-0.1 4,-0.3 3,-0.1 -2,-0.1 0.760 115.5 35.4 -69.9 -25.0 27.0 -16.5 63.0 106 309 B L T > S+ 0 0 96 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.744 107.7 59.5-105.1 -36.1 29.5 -19.1 64.3 107 310 B D H X S+ 0 0 12 -4,-1.2 4,-0.6 1,-0.2 -3,-0.1 0.635 110.6 51.5 -58.3 -16.4 27.9 -20.1 67.6 108 311 B Q H > S+ 0 0 32 -4,-0.3 4,-0.8 2,-0.1 -2,-0.2 0.726 110.8 44.3 -91.3 -29.2 25.1 -21.0 65.0 109 312 B D H > S+ 0 0 94 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.874 111.1 51.8 -80.5 -39.4 27.3 -23.1 62.7 110 313 B K H X S+ 0 0 37 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.962 111.6 49.3 -57.8 -50.9 29.1 -25.0 65.5 111 314 B I H X S+ 0 0 7 -4,-0.6 4,-2.2 -5,-0.3 -1,-0.2 0.827 112.6 49.0 -52.3 -37.1 25.6 -25.9 66.9 112 315 B E H X S+ 0 0 56 -4,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.947 114.6 40.8 -79.5 -44.6 24.6 -27.0 63.4 113 316 B A H X S+ 0 0 58 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.796 118.0 49.4 -71.9 -28.1 27.6 -29.2 62.6 114 317 B L H >X S+ 0 0 7 -4,-3.0 4,-2.1 -5,-0.3 3,-1.6 0.961 107.5 53.8 -70.8 -52.4 27.5 -30.6 66.2 115 318 B S H 3X S+ 0 0 49 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.726 108.5 50.8 -52.1 -26.9 23.7 -31.3 66.0 116 319 B S H 3X S+ 0 0 72 -4,-1.1 4,-2.5 2,-0.2 -1,-0.3 0.615 103.7 55.8 -88.6 -12.7 24.3 -33.4 62.8 117 320 B K H > 0 0 161 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -66.8 34.5 41.4 64.9 128 268 C L H 3> + 0 0 28 1,-0.3 4,-0.9 2,-0.3 5,-0.2 0.854 360.0 58.5 -72.9 -36.1 31.5 40.6 67.2 129 269 C L H 34 S+ 0 0 60 1,-0.2 -1,-0.3 3,-0.1 4,-0.2 0.703 120.9 29.8 -47.7 -22.7 29.5 40.9 64.0 130 270 C Q H <> S+ 0 0 57 -3,-0.7 4,-1.0 2,-0.2 -2,-0.3 0.602 109.7 60.1-122.3 -26.1 32.0 38.0 63.0 131 271 C R H X S+ 0 0 62 -4,-2.5 4,-1.6 2,-0.2 -3,-0.2 0.727 112.1 47.9 -68.9 -28.8 33.0 36.0 66.1 132 272 C C H X S+ 0 0 7 -4,-0.9 4,-2.0 -5,-0.3 -2,-0.2 0.826 105.8 52.4 -94.1 -40.1 29.4 35.3 66.3 133 273 C E H > S+ 0 0 28 2,-0.2 4,-1.0 -5,-0.2 -2,-0.2 0.791 110.3 53.6 -63.0 -29.3 28.9 34.3 62.7 134 274 C S H >X S+ 0 0 68 -4,-1.0 4,-2.4 2,-0.2 3,-0.6 0.929 105.1 51.8 -64.1 -51.8 31.8 31.9 63.4 135 275 C L H 3X S+ 0 0 11 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.903 106.6 55.7 -49.3 -45.9 29.9 30.5 66.4 136 276 C E H 3X S+ 0 0 55 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.847 112.3 41.7 -51.7 -41.7 26.9 29.9 64.2 137 277 C K H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 3,-0.7 0.960 110.1 48.7 -54.9 -54.1 24.7 5.3 63.6 153 293 C V H 3X S+ 0 0 5 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.858 109.9 51.7 -56.7 -39.1 24.0 4.3 67.2 154 294 C E H 3X S+ 0 0 66 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.785 109.0 49.6 -74.5 -26.9 20.4 3.3 66.4 155 295 C R H XX S+ 0 0 71 -4,-1.7 4,-1.8 -3,-0.7 3,-0.6 0.930 111.1 51.2 -65.3 -48.9 21.5 1.1 63.6 156 296 C V H 3X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.922 106.0 55.2 -56.9 -43.0 23.9 -0.4 66.0 157 297 C A H 3X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.864 104.6 53.2 -55.6 -36.4 21.1 -0.9 68.5 158 298 C M H X S+ 0 0 41 -4,-0.9 3,-1.8 -5,-0.3 4,-1.4 0.897 97.2 59.6 -72.3 -50.8 18.3 -14.7 68.5 167 307 C H H 3X S+ 0 0 38 -4,-1.3 4,-1.8 1,-0.3 5,-0.3 0.778 88.4 76.3 -43.9 -32.7 20.7 -16.4 71.0 168 308 C R H 3< S+ 0 0 61 -4,-0.6 4,-0.5 2,-0.2 3,-0.3 0.931 102.1 39.2 -45.8 -47.1 17.5 -16.9 73.1 169 309 C L H X> S+ 0 0 53 -3,-1.8 3,-2.9 -4,-0.4 4,-1.7 0.984 109.7 59.6 -61.3 -63.1 16.9 -19.7 70.5 170 310 C D H 3X S+ 0 0 13 -4,-1.4 4,-1.0 1,-0.3 -2,-0.2 0.630 101.7 55.4 -39.6 -25.7 20.6 -20.8 70.4 171 311 C Q H 3X S+ 0 0 41 -4,-1.8 4,-1.1 -3,-0.3 -1,-0.3 0.678 108.6 49.4 -84.3 -20.9 20.4 -21.5 74.2 172 312 C D H <> S+ 0 0 119 -3,-2.9 4,-2.6 -4,-0.5 -2,-0.2 0.884 108.4 48.8 -81.5 -45.3 17.5 -23.9 73.5 173 313 C K H X S+ 0 0 126 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.906 111.6 52.8 -63.3 -35.3 19.1 -25.8 70.7 174 314 C I H X S+ 0 0 18 -4,-1.0 4,-2.2 -5,-0.3 5,-0.3 0.905 108.5 48.8 -62.1 -42.6 22.1 -26.2 72.9 175 315 C E H X S+ 0 0 53 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.895 109.7 52.0 -66.2 -40.8 19.9 -27.6 75.8 176 316 C A H X S+ 0 0 48 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.888 112.2 48.8 -56.0 -45.4 18.2 -30.1 73.3 177 317 C L H >X S+ 0 0 6 -4,-2.0 4,-3.2 2,-0.2 3,-0.5 0.990 108.3 46.9 -57.2 -70.3 21.7 -31.2 72.2 178 318 C S H 3X S+ 0 0 56 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.755 113.4 54.8 -53.0 -24.7 23.4 -31.9 75.6 179 319 C S H 3X S+ 0 0 84 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.3 0.923 110.7 42.5 -71.2 -46.9 20.1 -33.7 76.4 180 320 C K H - 0 0 57 -2,-0.3 4,-1.8 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