#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r77 s TYR 261 N 0.00 2.70 -1.41 -0.67 5.04 -1.02 -4.39 117.35 117.61 1r77 s TYR 261 Ca 0.00 0.88 0.16 0.00 -2.44 0.00 0.00 57.07 55.67 1r77 s TYR 261 Cb 0.00 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 38.67 1r77 s TYR 261 CO 0.00 -2.01 0.84 0.36 -1.34 0.00 0.00 175.55 173.40 1r77 n LYS 262 N 6.78 1.67 -2.50 4.97 2.85 -0.42 -4.96 118.16 126.55 1r77 n LYS 262 Ca 0.15 -0.71 -0.42 0.00 -1.05 0.00 0.00 58.31 56.28 1r77 n LYS 262 Cb 0.45 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 1r77 n LYS 262 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1r77 s ASP 263 N -2.02 7.10 -0.23 -5.58 -1.08 -1.24 -4.93 116.67 108.69 1r77 s ASP 263 Ca 0.13 1.80 0.14 0.00 -0.52 0.00 0.00 52.55 54.10 1r77 s ASP 263 Cb 0.13 -2.56 0.70 0.00 -1.46 0.00 0.00 42.92 39.72 1r77 s ASP 263 CO 0.45 -0.52 1.64 0.47 0.52 0.00 0.00 175.17 177.72 1r77 n ASP 264 N 4.86 4.81 -0.08 -0.34 8.00 -1.26 -4.65 116.55 127.89 1r77 n ASP 264 Ca 0.10 -3.05 0.13 0.00 0.71 0.00 0.00 54.79 52.68 1r77 n ASP 264 Cb 0.47 -0.65 0.52 0.00 -0.02 0.00 0.00 41.12 41.45 1r77 n ASP 264 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1r77 h ASP 265 N 2.88 0.33 0.04 -2.24 -0.00 -1.96 -1.05 116.42 114.40 1r77 h ASP 265 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1r77 h ASP 265 Cb 1.85 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 41.12 1r77 h ASP 265 CO 0.44 0.19 0.00 -0.90 -0.00 0.00 0.00 179.24 178.97 1r77 n ASP 266 N -4.46 0.00 0.08 2.28 3.85 -1.26 -1.08 116.55 115.96 1r77 n ASP 266 Ca 0.10 -0.51 0.12 0.00 -0.71 0.00 0.00 54.79 53.79 1r77 n ASP 266 Cb 0.42 -0.03 0.11 0.00 -1.35 0.00 0.00 41.12 40.26 1r77 n ASP 266 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1r77 h LYS 267 N 0.00 0.00 0.00 0.11 1.79 -1.56 -3.38 116.57 113.52 1r77 h LYS 267 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1r77 h LYS 267 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1r77 h LYS 267 CO 0.00 0.00 -0.87 1.33 -1.08 0.00 0.00 179.45 178.83 1r77 n VAL 268 N -2.35 0.00 -5.19 0.50 0.24 -0.83 -5.03 118.33 105.66 1r77 n VAL 268 Ca 0.02 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.00 1r77 n VAL 268 Cb 0.48 0.45 -0.16 0.00 -1.47 0.00 0.00 33.84 33.14 1r77 n VAL 268 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1r77 s LYS 269 N -1.75 2.41 -0.22 7.34 -0.14 -0.24 -5.09 119.74 122.04 1r77 s LYS 269 Ca 0.00 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.45 1r77 s LYS 269 Cb 0.00 -2.18 -0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1r77 s LYS 269 CO 0.00 0.49 1.24 -1.17 -0.76 0.00 0.00 175.35 175.15 1r77 s LEU 270 N -0.43 4.08 -0.06 3.17 2.96 -1.26 -4.40 118.68 122.74 1r77 s LEU 270 Ca 0.04 1.50 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1r77 s LEU 270 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1r77 s LEU 270 CO 0.01 -0.85 -0.10 -0.31 -1.32 0.00 0.00 176.35 173.78 1r77 s TYR 271 N 3.73 2.83 0.35 5.38 1.51 -1.26 -4.45 117.35 125.43 1r77 s TYR 271 Ca 0.54 -0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.61 1r77 s TYR 271 Cb -0.19 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.92 1r77 s TYR 271 CO 0.16 0.25 0.04 0.15 -1.11 0.00 0.00 175.55 175.05 1r77 s LYS 272 N -0.74 2.13 0.05 -0.62 1.02 0.25 -4.92 119.74 116.91 1r77 s LYS 272 Ca 0.11 -1.73 0.03 0.00 0.02 0.00 0.00 55.97 54.40 1r77 s LYS 272 Cb -0.11 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1r77 s LYS 272 CO 0.01 0.11 -0.09 0.99 -0.92 0.00 0.00 175.35 175.45 1r77 s THR 273 N -2.51 0.66 0.52 2.17 2.01 -1.26 -1.16 115.64 116.06 1r77 s THR 273 Ca 0.36 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1r77 s THR 273 Cb 0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1r77 s THR 273 CO 0.20 -0.38 0.10 -0.46 -0.69 0.00 0.00 174.62 173.40 1r77 n ASN 274 N 1.34 3.23 0.31 3.53 0.23 -1.11 -4.97 115.26 117.83 1r77 n ASN 274 Ca -0.22 -3.13 0.19 0.00 -0.53 0.00 0.00 54.58 50.89 1r77 n ASN 274 Cb 0.55 0.25 0.98 0.00 -2.08 0.00 0.00 39.78 39.48 1r77 n ASN 274 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1r77 h LYS 275 N 0.00 0.00 -0.16 -3.83 2.10 -2.02 -0.29 116.57 112.37 1r77 h LYS 275 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1r77 h LYS 275 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1r77 h LYS 275 CO 0.66 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.77 1r77 n TYR 276 N -3.11 0.20 -1.00 0.07 4.01 -1.26 -4.92 117.16 111.15 1r77 n TYR 276 Ca -0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1r77 n TYR 276 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1r77 n TYR 276 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r77 n GLY 277 N 1.22 0.51 3.72 2.72 0.00 -0.12 -5.01 105.19 108.22 1r77 n GLY 277 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1r77 n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r77 s THR 278 N -2.03 4.50 -0.14 2.61 2.01 -1.26 -4.84 115.64 116.49 1r77 s THR 278 Ca 0.00 1.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.69 1r77 s THR 278 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1r77 s THR 278 CO 0.00 0.18 0.42 -0.76 -0.69 0.00 0.00 174.62 173.77 1r77 s LEU 279 N 0.74 4.25 -0.02 4.42 1.43 -1.06 -2.73 118.68 125.72 1r77 s LEU 279 Ca 0.53 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 54.25 1r77 s LEU 279 Cb -0.24 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1r77 s LEU 279 CO 0.29 0.02 0.17 -0.72 0.23 0.00 0.00 176.35 176.34 1r77 s TYR 280 N 0.65 -0.04 0.05 0.29 1.13 -0.31 -0.74 117.35 118.38 1r77 s TYR 280 Ca 0.23 0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.95 1r77 s TYR 280 Cb -0.14 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 1r77 s TYR 280 CO 0.08 -0.26 -0.06 -1.59 -2.51 0.00 0.00 175.55 171.21 1r77 s LYS 281 N -1.05 0.57 -0.26 -3.49 -2.85 -0.04 -0.58 119.74 112.04 1r77 s LYS 281 Ca -0.11 -0.91 -0.23 0.00 -1.00 0.00 0.00 55.97 53.71 1r77 s LYS 281 Cb -0.06 -0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 35.54 1r77 s LYS 281 CO 0.02 0.00 0.75 0.45 0.10 0.00 0.00 175.35 176.67 1r77 s SER 282 N -2.03 6.70 -0.19 0.03 0.15 -1.26 -1.19 113.70 115.91 1r77 s SER 282 Ca -0.04 0.83 -0.10 0.00 0.70 0.00 0.00 55.95 57.33 1r77 s SER 282 Cb -0.05 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.93 1r77 s SER 282 CO -0.02 -0.50 0.46 -0.70 1.20 0.00 0.00 173.24 173.69 1r77 s GLU 283 N 2.77 0.45 -0.15 5.44 2.12 -1.11 -4.95 118.70 123.26 1r77 s GLU 283 Ca 0.31 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.54 1r77 s GLU 283 Cb -0.15 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1r77 s GLU 283 CO 0.09 -0.16 -0.19 -1.12 -0.54 0.00 0.00 175.26 173.34 1r77 s SER 284 N 1.48 3.31 0.11 -1.70 0.01 -1.26 -2.76 113.70 112.90 1r77 s SER 284 Ca -0.09 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.54 1r77 s SER 284 Cb -0.08 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.68 1r77 s SER 284 CO -0.14 0.06 0.31 0.00 0.41 0.00 0.00 173.24 173.89 1r77 n ALA 285 N 4.20 -0.76 -2.63 1.44 0.00 -1.08 -5.01 120.51 116.66 1r77 n ALA 285 Ca -0.20 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.49 1r77 n ALA 285 Cb 0.51 0.29 -0.12 0.00 0.00 0.00 0.00 19.45 20.14 1r77 n ALA 285 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1r77 s SER 286 N -1.79 4.45 -0.10 0.00 0.01 -1.26 -1.69 113.70 113.32 1r77 s SER 286 Ca 0.07 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1r77 s SER 286 Cb -0.01 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1r77 s SER 286 CO 0.03 0.33 -0.23 0.12 0.41 0.00 0.00 173.24 173.89 1r77 s PHE 287 N -0.60 2.54 -0.23 2.43 5.36 0.18 -1.01 117.98 126.65 1r77 s PHE 287 Ca 0.09 -1.07 -0.01 0.00 -0.96 0.00 0.00 56.93 54.97 1r77 s PHE 287 Cb -0.12 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 1r77 s PHE 287 CO 0.02 -0.44 -0.09 0.99 -1.46 0.00 0.00 175.22 174.23 1r77 s THR 288 N 0.41 2.71 0.40 0.12 2.01 0.09 -0.96 115.64 120.42 1r77 s THR 288 Ca -0.17 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 1r77 s THR 288 Cb -0.18 -2.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 1r77 s THR 288 CO 0.07 0.29 1.14 0.00 -0.69 0.00 0.00 174.62 175.44 1r77 s ALA 289 N 1.32 3.14 -0.18 7.40 0.00 -0.90 -0.90 121.76 131.64 1r77 s ALA 289 Ca 0.01 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.05 1r77 s ALA 289 Cb -0.16 -3.36 0.51 0.00 0.00 0.00 0.00 23.12 20.12 1r77 s ALA 289 CO -0.06 -0.45 1.41 0.27 0.00 0.00 0.00 175.76 176.92 1r77 n ASN 290 N 0.07 3.68 -3.62 0.00 2.04 -0.61 -0.31 115.26 116.51 1r77 n ASN 290 Ca 0.04 -3.08 -0.04 0.00 -0.44 0.00 0.00 54.58 51.07 1r77 n ASN 290 Cb 0.47 -0.54 -0.00 0.00 -2.53 0.00 0.00 39.78 37.17 1r77 n ASN 290 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1r77 s THR 291 N -2.87 0.00 -0.50 5.53 -1.32 -1.26 -4.89 115.64 110.33 1r77 s THR 291 Ca 0.42 -0.68 -0.24 0.00 -1.21 0.00 0.00 61.69 59.98 1r77 s THR 291 Cb 0.34 -2.24 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1r77 s THR 291 CO 0.08 0.00 0.87 -1.81 -2.21 0.00 0.00 174.62 171.54 1r77 s ASP 292 N -3.05 6.38 -0.17 8.08 1.01 -1.26 -2.90 116.67 124.76 1r77 s ASP 292 Ca 0.15 -0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.10 1r77 s ASP 292 Cb -0.02 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1r77 s ASP 292 CO 0.04 -1.07 0.09 -0.63 0.21 0.00 0.00 175.17 173.81 1r77 s ILE 293 N 3.61 5.07 -0.18 0.77 1.01 -0.32 -4.90 121.20 126.25 1r77 s ILE 293 Ca 0.30 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 1r77 s ILE 293 Cb -0.12 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1r77 s ILE 293 CO 0.21 0.49 1.02 -0.63 0.00 0.00 0.00 174.94 176.04 1r77 s ILE 294 N 0.02 4.72 0.30 2.92 1.01 -1.26 -0.16 121.20 128.75 1r77 s ILE 294 Ca 0.07 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.76 1r77 s ILE 294 Cb -0.12 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1r77 s ILE 294 CO 0.00 -0.11 0.48 0.42 0.00 0.00 0.00 174.94 175.73 1r77 s THR 295 N 2.75 5.15 0.16 2.92 -4.23 -0.70 -4.53 115.64 117.16 1r77 s THR 295 Ca 0.45 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1r77 s THR 295 Cb -0.16 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 1r77 s THR 295 CO 0.10 -0.44 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.41 1r77 s ARG 296 N -4.08 1.29 0.29 3.99 1.81 -0.13 -0.68 118.95 121.43 1r77 s ARG 296 Ca 0.38 -1.38 0.04 0.00 -1.72 0.00 0.00 55.73 53.05 1r77 s ARG 296 Cb -0.10 -1.44 -0.03 0.00 -0.45 0.00 0.00 34.95 32.93 1r77 s ARG 296 CO 0.33 0.31 0.43 -0.51 -0.68 0.00 0.00 175.30 175.18 1r77 s LEU 297 N -2.51 4.18 0.00 2.53 1.43 -0.06 -0.89 118.68 123.36 1r77 s LEU 297 Ca 0.15 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1r77 s LEU 297 Cb -0.07 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1r77 s LEU 297 CO 0.07 -0.19 0.00 0.41 0.23 0.00 0.00 176.35 176.87 1r77 n THR 298 N -1.56 0.00 -3.91 5.49 -1.04 -1.26 -4.43 114.28 107.58 1r77 n THR 298 Ca -0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1r77 n THR 298 Cb 0.57 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 1r77 n THR 298 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1r77 s GLY 299 N 0.00 0.17 -1.43 3.41 0.00 -1.26 -5.05 107.32 103.16 1r77 s GLY 299 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 1r77 s GLY 299 CO 0.00 -0.30 2.49 -1.55 0.00 0.00 0.00 173.10 173.74 1r77 n PRO 300 N -0.44 3.03 -3.90 2.90 -0.04 -1.26 -4.83 135.00 130.45 1r77 n PRO 300 Ca -0.03 -2.30 -0.15 0.00 -0.04 0.00 0.00 63.50 60.98 1r77 n PRO 300 Cb 0.60 -3.00 -0.15 0.00 -0.04 0.00 0.00 33.50 30.90 1r77 n PRO 300 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1r77 s PHE 301 N 2.94 0.19 0.12 0.54 0.08 -1.26 -4.29 117.98 116.30 1r77 s PHE 301 Ca 0.56 0.02 0.34 0.00 0.12 0.00 0.00 56.93 57.97 1r77 s PHE 301 Cb 0.15 -0.27 1.57 0.00 -0.57 0.00 0.00 43.02 43.91 1r77 s PHE 301 CO -0.06 -0.08 2.01 0.00 -0.10 0.00 0.00 175.22 176.99 1r77 h ARG 302 N 6.89 0.00 0.00 0.44 3.08 -1.89 -1.39 114.38 121.51 1r77 h ARG 302 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1r77 h ARG 302 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1r77 h ARG 302 CO 0.49 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.26 1r77 n SER 303 N -2.84 0.30 -4.80 7.04 3.41 -1.26 -4.85 113.62 110.62 1r77 n SER 303 Ca -0.00 0.53 -0.31 0.00 -0.26 0.00 0.00 58.87 58.83 1r77 n SER 303 Cb 0.20 -0.61 0.07 0.00 -0.26 0.00 0.00 64.21 63.61 1r77 n SER 303 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1r77 s MET 304 N -3.04 2.51 0.35 4.33 -1.94 -0.53 -4.97 119.30 116.00 1r77 s MET 304 Ca 0.12 0.93 -0.29 0.00 -1.71 0.00 0.00 55.69 54.74 1r77 s MET 304 Cb 0.16 -1.94 -0.11 0.00 2.01 0.00 0.00 34.83 34.94 1r77 s MET 304 CO 0.54 -1.40 1.53 -2.30 -0.01 0.00 0.00 175.02 173.38 1r77 n PRO 305 N -3.33 2.69 -2.22 2.03 -0.02 -1.26 -4.78 135.00 128.12 1r77 n PRO 305 Ca 0.08 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.09 1r77 n PRO 305 Cb 0.54 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1r77 n PRO 305 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1r77 s GLN 306 N -1.51 4.40 -0.16 -0.52 0.74 -1.26 -0.88 119.66 120.46 1r77 s GLN 306 Ca 0.57 2.06 -0.11 0.00 0.05 0.00 0.00 55.36 57.93 1r77 s GLN 306 Cb -0.48 -3.17 -0.23 0.00 1.10 0.00 0.00 33.01 30.23 1r77 s GLN 306 CO 0.58 -0.21 0.24 0.45 -0.55 0.00 0.00 175.29 175.81 1r77 n SER 307 N 2.23 2.03 0.00 6.67 2.88 0.14 -4.73 113.62 122.84 1r77 n SER 307 Ca 0.05 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1r77 n SER 307 Cb 0.43 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1r77 n SER 307 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r77 n GLY 308 N 1.81 -0.77 2.84 0.46 0.00 -1.24 -5.00 105.19 103.29 1r77 n GLY 308 Ca -0.34 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 1r77 n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r77 s VAL 309 N -4.00 -0.06 -0.43 1.61 1.01 -1.26 -1.71 120.40 115.55 1r77 s VAL 309 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1r77 s VAL 309 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1r77 s VAL 309 CO 0.00 0.09 0.57 -0.22 0.00 0.00 0.00 175.10 175.54 1r77 s LEU 310 N 1.21 4.63 0.61 3.92 2.96 0.78 -4.91 118.68 127.87 1r77 s LEU 310 Ca -0.08 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 1r77 s LEU 310 Cb -0.12 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 1r77 s LEU 310 CO -0.04 -0.71 1.18 -0.13 -1.32 0.00 0.00 176.35 175.32 1r77 s ARG 311 N 2.58 2.91 0.25 1.98 3.00 -1.26 -1.18 118.95 127.22 1r77 s ARG 311 Ca 0.19 1.70 -0.31 0.00 0.00 0.00 0.00 55.73 57.31 1r77 s ARG 311 Cb -0.15 -1.93 -0.13 0.00 0.00 0.00 0.00 34.95 32.74 1r77 s ARG 311 CO 0.17 -1.23 1.51 1.17 0.00 0.00 0.00 175.30 176.93 1r77 n LYS 312 N -1.82 2.34 0.00 3.54 4.81 -1.14 -2.35 118.16 123.53 1r77 n LYS 312 Ca 0.13 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1r77 n LYS 312 Cb 0.50 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1r77 n LYS 312 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r77 n GLY 313 N 2.41 1.44 3.83 3.14 0.00 0.58 -4.92 105.19 111.67 1r77 n GLY 313 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1r77 n GLY 313 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r77 s LEU 314 N 0.00 4.23 -0.06 0.99 1.43 -0.99 -4.82 118.68 119.46 1r77 s LEU 314 Ca 0.00 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1r77 s LEU 314 Cb 0.00 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1r77 s LEU 314 CO 0.00 -0.06 -0.11 -0.89 0.23 0.00 0.00 176.35 175.52 1r77 s THR 315 N -1.71 3.32 0.11 5.49 2.01 -1.26 -2.11 115.64 121.50 1r77 s THR 315 Ca 0.47 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1r77 s THR 315 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1r77 s THR 315 CO 0.19 0.59 -0.09 0.27 -0.69 0.00 0.00 174.62 174.90 1r77 s ILE 316 N -0.76 0.96 -0.25 1.82 -5.25 -0.13 -4.97 121.20 112.61 1r77 s ILE 316 Ca 0.12 -1.81 -0.05 0.00 -0.99 0.00 0.00 60.65 57.92 1r77 s ILE 316 Cb -0.11 -1.55 -0.01 0.00 2.95 0.00 0.00 42.46 43.75 1r77 s ILE 316 CO 0.01 -0.67 0.01 -0.54 -1.79 0.00 0.00 174.94 171.96 1r77 s LYS 317 N -3.24 3.33 0.33 0.37 1.02 -1.26 -0.65 119.74 119.64 1r77 s LYS 317 Ca 0.10 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 55.49 1r77 s LYS 317 Cb 0.00 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1r77 s LYS 317 CO -0.01 -0.27 0.31 1.52 -0.92 0.00 0.00 175.35 175.98 1r77 s TYR 318 N 1.50 2.94 0.00 3.18 -0.85 -0.68 -4.56 117.35 118.89 1r77 s TYR 318 Ca 0.05 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1r77 s TYR 318 Cb -0.15 -1.80 0.00 0.00 0.38 0.00 0.00 41.96 40.38 1r77 s TYR 318 CO -0.00 0.18 0.33 -0.40 -1.52 0.00 0.00 175.55 174.13 1r77 n ASP 319 N -1.40 0.39 -3.79 -0.18 3.85 -0.75 -2.65 116.55 112.03 1r77 n ASP 319 Ca -0.02 -1.10 -0.13 0.00 -0.71 0.00 0.00 54.79 52.83 1r77 n ASP 319 Cb 0.59 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.24 1r77 n ASP 319 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1r77 s GLU 320 N -0.10 0.26 -0.09 0.11 2.12 -1.11 -2.74 118.70 117.15 1r77 s GLU 320 Ca 0.00 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.71 1r77 s GLU 320 Cb 0.00 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1r77 s GLU 320 CO 0.00 -0.05 -0.22 0.08 -0.54 0.00 0.00 175.26 174.53 1r77 s VAL 321 N 0.25 1.88 0.11 3.70 1.01 -0.33 -0.55 120.40 126.47 1r77 s VAL 321 Ca -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.11 1r77 s VAL 321 Cb -0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1r77 s VAL 321 CO -0.01 0.52 -0.16 -0.04 0.00 0.00 0.00 175.10 175.42 1r77 s MET 322 N 0.32 1.00 -0.23 2.72 -1.94 0.75 -0.86 119.30 121.07 1r77 s MET 322 Ca -0.16 -1.15 0.01 0.00 -1.71 0.00 0.00 55.69 52.68 1r77 s MET 322 Cb -0.17 -1.00 0.05 0.00 2.01 0.00 0.00 34.83 35.72 1r77 s MET 322 CO 0.07 0.21 -0.08 0.15 -0.01 0.00 0.00 175.02 175.36 1r77 s LYS 323 N -2.25 1.91 -0.03 2.03 1.02 0.08 0.66 119.74 123.15 1r77 s LYS 323 Ca 0.06 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 1r77 s LYS 323 Cb -0.07 -2.58 0.10 0.00 -0.52 0.00 0.00 37.83 34.76 1r77 s LYS 323 CO 0.03 -0.52 0.85 -1.14 -0.92 0.00 0.00 175.35 173.65 1r77 s GLN 324 N 1.34 0.85 -1.47 1.68 2.00 -0.68 -2.57 119.66 120.80 1r77 s GLN 324 Ca -0.05 -0.12 -0.05 0.00 -2.00 0.00 0.00 55.36 53.14 1r77 s GLN 324 Cb -0.18 0.40 0.04 0.00 0.80 0.00 0.00 33.01 34.06 1r77 s GLN 324 CO -0.07 -0.33 0.55 -3.47 -0.50 0.00 0.00 175.29 171.47 1r77 n ASP 325 N 0.17 -1.31 -0.85 6.67 4.64 -1.26 -1.73 116.55 122.88 1r77 n ASP 325 Ca -0.12 -0.98 -0.11 0.00 -1.38 0.00 0.00 54.79 52.20 1r77 n ASP 325 Cb 0.60 -3.12 -0.05 0.00 -1.04 0.00 0.00 41.12 37.52 1r77 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1r77 n GLY 326 N -1.82 1.16 3.37 0.27 0.00 -1.26 -4.87 105.19 102.04 1r77 n GLY 326 Ca -0.21 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1r77 n GLY 326 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r77 s HIS 327 N -2.20 0.46 -0.13 1.61 3.76 -0.71 -0.38 115.29 117.69 1r77 s HIS 327 Ca 0.00 -0.81 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1r77 s HIS 327 Cb 0.00 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 1r77 s HIS 327 CO 0.00 -0.76 0.08 0.08 -0.85 0.00 0.00 174.74 173.29 1r77 s VAL 328 N -3.99 4.97 0.18 -0.90 1.01 -0.65 -1.69 120.40 119.32 1r77 s VAL 328 Ca 0.20 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1r77 s VAL 328 Cb 0.03 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1r77 s VAL 328 CO 0.03 0.56 -0.13 0.26 0.00 0.00 0.00 175.10 175.81 1r77 s TRP 329 N -0.49 1.58 0.04 5.22 0.52 0.21 -0.96 118.94 125.06 1r77 s TRP 329 Ca 0.11 -0.61 0.07 0.00 0.02 0.00 0.00 56.10 55.68 1r77 s TRP 329 Cb -0.12 -0.76 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1r77 s TRP 329 CO 0.02 0.28 -0.19 0.14 0.02 0.00 0.00 176.95 177.21 1r77 s VAL 330 N -2.97 1.56 -0.10 4.03 -7.23 0.06 -0.18 120.40 115.56 1r77 s VAL 330 Ca 0.20 -1.14 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1r77 s VAL 330 Cb -0.00 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1r77 s VAL 330 CO 0.05 0.18 -0.07 -0.83 -0.31 0.00 0.00 175.10 174.12 1r77 s GLY 331 N -1.13 1.67 0.29 2.32 0.00 0.29 -0.89 107.32 109.87 1r77 s GLY 331 Ca 0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 1r77 s GLY 331 CO 0.02 -0.42 0.49 -2.52 0.00 0.00 0.00 173.10 170.67 1r77 s TYR 332 N -0.28 0.59 -0.06 1.90 -0.85 -0.83 -1.81 117.35 116.01 1r77 s TYR 332 Ca 0.04 -0.93 0.04 0.00 -0.52 0.00 0.00 57.07 55.70 1r77 s TYR 332 Cb -0.13 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.33 1r77 s TYR 332 CO 0.02 -1.07 -0.17 -0.80 -1.52 0.00 0.00 175.55 172.01 1r77 s ASN 333 N -3.09 3.73 1.06 -0.18 -0.87 -1.26 -0.51 114.94 113.81 1r77 s ASN 333 Ca 0.25 -0.31 -0.16 0.00 -1.57 0.00 0.00 52.86 51.07 1r77 s ASN 333 Cb -0.01 -0.93 0.22 0.00 -0.02 0.00 0.00 41.25 40.52 1r77 s ASN 333 CO 0.13 0.29 1.15 0.35 -2.57 0.00 0.00 177.10 176.45 1r77 n THR 334 N 2.67 0.00 0.19 1.60 -2.24 0.01 -4.83 114.28 111.67 1r77 n THR 334 Ca -0.17 -0.77 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 1r77 n THR 334 Cb 0.52 -1.47 0.60 0.00 -2.10 0.00 0.00 70.33 67.88 1r77 n THR 334 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1r77 h ASN 335 N -1.85 0.10 0.32 3.42 -1.24 -2.00 -0.01 115.58 114.33 1r77 h ASN 335 Ca -0.39 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1r77 h ASN 335 Cb 1.09 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1r77 h ASN 335 CO 0.27 0.07 -0.14 -1.54 -1.29 0.00 0.00 177.43 174.80 1r77 n SER 336 N -4.52 0.62 0.00 1.15 3.41 -1.26 -4.91 113.62 108.12 1r77 n SER 336 Ca -0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1r77 n SER 336 Cb 0.12 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1r77 n SER 336 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r77 n GLY 337 N 1.29 0.74 3.74 5.00 0.00 -0.02 -5.04 105.19 110.90 1r77 n GLY 337 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1r77 n GLY 337 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r77 s LYS 338 N -0.60 4.36 -0.17 1.61 2.20 -1.26 -4.65 119.74 121.23 1r77 s LYS 338 Ca 0.00 2.11 -0.24 0.00 -0.36 0.00 0.00 55.97 57.47 1r77 s LYS 338 Cb 0.00 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1r77 s LYS 338 CO 0.00 -0.28 0.79 0.50 -0.36 0.00 0.00 175.35 175.99 1r77 s ARG 339 N -0.20 4.28 0.05 4.03 6.06 -1.26 -0.81 118.95 131.10 1r77 s ARG 339 Ca 0.57 0.93 0.08 0.00 -2.50 0.00 0.00 55.73 54.81 1r77 s ARG 339 Cb -0.38 -3.57 -0.03 0.00 0.06 0.00 0.00 34.95 31.04 1r77 s ARG 339 CO 0.39 -0.30 -0.22 0.08 -2.50 0.00 0.00 175.30 172.75 1r77 s VAL 340 N 2.07 1.78 -0.22 7.11 1.01 0.33 -4.48 120.40 127.99 1r77 s VAL 340 Ca 0.36 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1r77 s VAL 340 Cb -0.16 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1r77 s VAL 340 CO 0.12 0.23 -0.01 -0.31 0.00 0.00 0.00 175.10 175.12 1r77 s TYR 341 N -0.82 2.99 -0.25 5.22 1.51 -0.07 -1.97 117.35 123.97 1r77 s TYR 341 Ca 0.08 -0.76 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1r77 s TYR 341 Cb -0.09 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1r77 s TYR 341 CO 0.02 -0.47 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.80 1r77 s LEU 342 N 1.44 3.19 0.15 -1.29 2.96 -0.07 -0.96 118.68 124.11 1r77 s LEU 342 Ca 0.05 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.02 1r77 s LEU 342 Cb -0.14 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1r77 s LEU 342 CO -0.01 -0.10 1.11 -2.16 -1.32 0.00 0.00 176.35 173.88 1r77 s PRO 343 N 1.42 4.56 0.00 0.98 0.04 -1.26 -0.76 135.00 139.98 1r77 s PRO 343 Ca 0.03 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1r77 s PRO 343 Cb -0.16 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1r77 s PRO 343 CO -0.03 0.01 0.06 1.33 0.04 0.00 0.00 177.00 178.41 1r77 n VAL 344 N 2.72 0.00 -3.62 -0.36 0.24 -0.14 -4.95 118.33 112.23 1r77 n VAL 344 Ca 0.04 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 1r77 n VAL 344 Cb 0.46 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 1r77 n VAL 344 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r77 s ARG 345 N -1.02 0.19 0.48 7.34 1.70 -1.24 -0.62 118.95 125.79 1r77 s ARG 345 Ca 0.00 -0.07 -0.19 0.00 -0.47 0.00 0.00 55.73 55.01 1r77 s ARG 345 Cb 0.01 0.09 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 1r77 s ARG 345 CO 0.03 -0.08 0.98 0.95 -1.08 0.00 0.00 175.30 176.10 1r77 s THR 346 N -2.26 4.35 -0.07 4.99 -4.23 -1.26 -1.64 115.64 115.52 1r77 s THR 346 Ca 0.10 1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.89 1r77 s THR 346 Cb -0.01 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.25 1r77 s THR 346 CO -0.04 -0.48 0.03 0.86 -0.54 0.00 0.00 174.62 174.46 1r77 s TRP 347 N -2.37 0.40 -0.41 3.99 -0.00 0.49 -0.90 118.94 120.14 1r77 s TRP 347 Ca 0.61 -0.03 -0.29 0.00 -0.00 0.00 0.00 56.10 56.39 1r77 s TRP 347 Cb -0.11 -0.67 0.02 0.00 -0.00 0.00 0.00 33.47 32.71 1r77 s TRP 347 CO 0.23 -0.30 1.18 1.21 -0.00 0.00 0.00 176.95 179.27 1r77 s ASN 348 N 2.06 6.67 0.50 5.86 3.84 -0.12 -4.03 114.94 129.73 1r77 s ASN 348 Ca 0.04 0.76 0.33 0.00 0.21 0.00 0.00 52.86 54.20 1r77 s ASN 348 Cb -0.13 -2.55 1.51 0.00 -0.55 0.00 0.00 41.25 39.54 1r77 s ASN 348 CO -0.05 -1.16 1.99 -0.33 -2.79 0.00 0.00 177.10 174.76 1r77 h GLU 349 N 9.15 0.00 0.11 0.43 5.08 -1.91 0.48 114.58 127.92 1r77 h GLU 349 Ca -0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.82 1r77 h GLU 349 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1r77 h GLU 349 CO 1.09 0.00 -1.60 0.77 -1.00 0.00 0.00 179.01 178.26 1r77 h SER 350 N 0.00 0.37 0.00 1.42 0.02 -1.96 -3.41 113.55 109.99 1r77 h SER 350 Ca 0.00 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 60.07 1r77 h SER 350 Cb 0.34 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1r77 h SER 350 CO 0.00 1.69 -1.78 0.35 -1.14 0.00 0.00 176.83 175.96 1r77 n THR 351 N -3.82 0.12 -0.21 -2.27 -2.24 -1.20 -2.44 114.28 102.21 1r77 n THR 351 Ca -0.28 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1r77 n THR 351 Cb 0.94 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1r77 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r77 n GLY 352 N 1.63 1.14 3.69 3.38 0.00 0.17 -1.30 105.19 113.90 1r77 n GLY 352 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1r77 n GLY 352 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r77 n GLU 353 N -2.00 2.26 -4.05 1.61 2.13 -1.25 -4.56 120.64 114.79 1r77 n GLU 353 Ca 0.00 0.81 -0.36 0.00 0.66 0.00 0.00 57.16 58.27 1r77 n GLU 353 Cb 0.00 -2.56 -0.08 0.00 0.27 0.00 0.00 31.44 29.08 1r77 n GLU 353 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1r77 s LEU 354 N 0.51 4.07 0.93 4.31 1.43 -1.26 -0.95 118.68 127.72 1r77 s LEU 354 Ca 0.73 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 54.01 1r77 s LEU 354 Cb -0.63 -1.98 0.19 0.00 0.03 0.00 0.00 46.19 43.80 1r77 s LEU 354 CO 0.42 0.37 1.28 -0.83 0.23 0.00 0.00 176.35 177.82 1r77 s GLY 355 N -0.80 1.77 0.50 -3.19 0.00 -0.08 -4.97 107.32 100.54 1r77 s GLY 355 Ca 0.13 -1.22 -0.23 0.00 0.00 0.00 0.00 44.72 43.40 1r77 s GLY 355 CO 0.03 -0.49 1.29 2.56 0.00 0.00 0.00 173.10 176.48 1r77 s PRO 356 N -5.80 3.47 0.19 2.90 0.04 -1.26 -4.58 135.00 129.96 1r77 s PRO 356 Ca 0.73 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.53 1r77 s PRO 356 Cb -0.04 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1r77 s PRO 356 CO 0.52 -0.87 1.33 -1.17 0.04 0.00 0.00 177.00 176.84 1r77 s LEU 357 N -3.20 4.41 -0.18 -3.56 2.96 -1.26 -4.58 118.68 113.26 1r77 s LEU 357 Ca 0.67 2.40 -0.03 0.00 -0.22 0.00 0.00 54.13 56.95 1r77 s LEU 357 Cb -0.36 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.73 1r77 s LEU 357 CO 0.43 -0.55 2.58 0.79 -1.32 0.00 0.00 176.35 178.28 1r77 n TRP 358 N 2.80 0.76 -1.08 5.38 8.01 0.21 -4.83 117.44 128.69 1r77 n TRP 358 Ca 0.07 -1.59 0.00 0.00 -1.31 0.00 0.00 57.50 54.67 1r77 n TRP 358 Cb 0.43 -1.09 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 1r77 n TRP 358 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1r77 n GLY 359 N 1.30 -0.44 3.02 6.99 0.00 -1.26 -1.57 105.19 113.23 1r77 n GLY 359 Ca 0.29 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1r77 n GLY 359 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r77 s THR 360 N -3.72 0.40 -0.04 2.61 -4.23 -0.08 -4.89 115.64 105.69 1r77 s THR 360 Ca 0.00 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1r77 s THR 360 Cb 0.00 -0.46 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 1r77 s THR 360 CO 0.00 -0.32 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.91 1r77 s ILE 361 N -1.15 2.40 0.00 2.99 1.01 -1.26 -0.73 121.20 124.46 1r77 s ILE 361 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1r77 s ILE 361 Cb -0.08 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1r77 s ILE 361 CO -0.00 0.58 0.00 0.29 0.00 0.00 0.00 174.94 175.81