#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cbx s HIS 262 N 0.00 0.67 -0.02 1.43 0.09 -1.26 -5.13 115.29 111.07 3cbx s HIS 262 Ca 0.00 -0.13 -0.25 0.00 -0.00 0.00 0.00 55.06 54.68 3cbx s HIS 262 Cb 0.00 -0.45 -0.04 0.00 -0.00 0.00 0.00 32.58 32.09 3cbx s HIS 262 CO 0.00 -0.02 0.76 1.41 -0.00 0.00 0.00 174.74 176.89 3cbx s MET 263 N -0.11 4.47 -0.58 1.40 0.00 -1.26 -4.69 119.30 118.54 3cbx s MET 263 Ca 0.02 1.02 -0.14 0.00 0.00 0.00 0.00 55.69 56.59 3cbx s MET 263 Cb -0.04 -3.42 0.02 0.00 0.00 0.00 0.00 34.83 31.39 3cbx s MET 263 CO -0.00 0.11 0.64 -1.71 0.00 0.00 0.00 175.02 174.06 3cbx n ASN 264 N 3.52 -7.04 -4.73 1.11 5.15 -1.26 -4.22 115.26 107.79 3cbx n ASN 264 Ca -0.00 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.63 3cbx n ASN 264 Cb 0.51 -4.17 -0.07 0.00 -0.53 0.00 0.00 39.78 35.52 3cbx n ASN 264 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3cbx s ILE 265 N -2.56 5.24 0.11 -1.44 1.01 -1.26 -0.80 121.20 121.49 3cbx s ILE 265 Ca 0.17 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.65 3cbx s ILE 265 Cb -0.03 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3cbx s ILE 265 CO 0.80 0.37 -0.25 0.27 0.00 0.00 0.00 174.94 176.14 3cbx s ILE 266 N 0.46 2.05 -0.24 2.92 -4.36 0.26 -4.98 121.20 117.31 3cbx s ILE 266 Ca 0.21 -1.62 -0.08 0.00 -0.26 0.00 0.00 60.65 58.90 3cbx s ILE 266 Cb -0.14 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 3cbx s ILE 266 CO 0.07 0.09 0.09 -0.89 0.24 0.00 0.00 174.94 174.54 3cbx s THR 267 N -1.04 4.61 -0.28 8.37 2.01 -1.26 -1.43 115.64 126.62 3cbx s THR 267 Ca 0.11 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.07 3cbx s THR 267 Cb -0.10 -3.15 0.07 0.00 0.01 0.00 0.00 72.50 69.33 3cbx s THR 267 CO 0.05 0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 3cbx s VAL 268 N 1.35 2.13 -0.25 3.82 1.01 0.82 -5.00 120.40 124.28 3cbx s VAL 268 Ca 0.05 -1.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.08 3cbx s VAL 268 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3cbx s VAL 268 CO 0.04 -0.20 0.45 -0.89 0.00 0.00 0.00 175.10 174.51 3cbx s THR 269 N 1.08 5.13 -0.17 3.92 2.01 -1.26 -0.69 115.64 125.65 3cbx s THR 269 Ca -0.03 0.77 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 3cbx s THR 269 Cb -0.20 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3cbx s THR 269 CO -0.06 0.15 0.03 -0.76 -0.69 0.00 0.00 174.62 173.29 3cbx s LEU 270 N 1.98 3.66 -0.39 4.42 1.43 0.95 -5.00 118.68 125.73 3cbx s LEU 270 Ca 0.19 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.04 3cbx s LEU 270 Cb -0.15 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3cbx s LEU 270 CO 0.09 0.18 1.06 0.21 0.23 0.00 0.00 176.35 178.12 3cbx s ASN 271 N 0.33 6.76 -0.34 2.29 3.84 -1.26 -2.27 114.94 124.29 3cbx s ASN 271 Ca 0.01 0.72 0.09 0.00 0.21 0.00 0.00 52.86 53.90 3cbx s ASN 271 Cb -0.13 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.80 3cbx s ASN 271 CO 0.01 -1.01 1.83 0.23 -2.79 0.00 0.00 177.10 175.37 3cbx n MET 272 N 7.19 3.65 0.05 0.43 2.81 -1.26 -4.23 117.12 125.75 3cbx n MET 272 Ca 0.11 -3.10 -0.17 0.00 -1.81 0.00 0.00 57.70 52.73 3cbx n MET 272 Cb 0.48 -2.22 -0.14 0.00 -0.71 0.00 0.00 33.22 30.63 3cbx n MET 272 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3cbx h GLU 273 N 2.57 0.23 0.00 0.03 4.39 -1.90 -3.36 114.58 116.54 3cbx h GLU 273 Ca 0.30 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3cbx h GLU 273 Cb 2.39 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 31.19 3cbx h GLU 273 CO 0.77 1.07 -0.25 1.17 -1.16 0.00 0.00 179.01 180.61 3cbx n LYS 274 N -3.42 0.26 -4.26 2.33 4.81 -1.26 -4.92 118.16 111.70 3cbx n LYS 274 Ca -0.18 0.16 -0.20 0.00 -0.87 0.00 0.00 58.31 57.21 3cbx n LYS 274 Cb 1.05 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 34.24 3cbx n LYS 274 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3cbx s TYR 275 N -3.12 1.54 -0.09 5.64 1.51 -1.26 -5.06 117.35 116.51 3cbx s TYR 275 Ca 0.09 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3cbx s TYR 275 Cb 0.13 -0.81 -0.24 0.00 -0.11 0.00 0.00 41.96 40.93 3cbx s TYR 275 CO 0.65 0.19 0.46 0.09 -1.11 0.00 0.00 175.55 175.83 3cbx n ASN 276 N 0.62 1.51 -4.35 2.29 3.02 -1.26 -4.86 115.26 112.23 3cbx n ASN 276 Ca -0.16 0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.49 3cbx n ASN 276 Cb 0.56 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 3cbx n ASN 276 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cbx s PHE 277 N -2.57 1.66 0.23 3.10 0.08 -1.26 -4.95 117.98 114.26 3cbx s PHE 277 Ca -0.15 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.09 3cbx s PHE 277 Cb 0.07 -0.95 0.22 0.00 -0.57 0.00 0.00 43.02 41.80 3cbx s PHE 277 CO 0.79 0.07 1.55 -0.07 -0.10 0.00 0.00 175.22 177.46 3cbx h LEU 278 N 2.44 0.35 -1.44 -0.37 3.38 -1.96 -3.27 115.31 114.45 3cbx h LEU 278 Ca -0.39 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.23 3cbx h LEU 278 Cb 1.22 -0.10 0.07 0.00 0.09 0.00 0.00 40.66 41.94 3cbx h LEU 278 CO 0.65 0.86 -0.32 0.61 0.09 0.00 0.00 178.44 180.33 3cbx n GLY 279 N 0.25 0.18 3.12 0.83 0.00 -1.26 -1.95 105.19 106.36 3cbx n GLY 279 Ca -0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 3cbx n GLY 279 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cbx s ILE 280 N -3.15 0.91 0.09 -0.61 -4.36 -1.26 -0.92 121.20 111.91 3cbx s ILE 280 Ca 0.12 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.44 3cbx s ILE 280 Cb -0.05 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 3cbx s ILE 280 CO 0.32 -0.18 0.17 -0.94 0.24 0.00 0.00 174.94 174.55 3cbx s SER 281 N -1.42 5.98 -0.07 4.36 1.04 -0.63 -4.98 113.70 117.98 3cbx s SER 281 Ca -0.03 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.56 3cbx s SER 281 Cb -0.09 -1.73 -0.00 0.00 0.10 0.00 0.00 66.02 64.30 3cbx s SER 281 CO 0.01 0.14 -0.21 -0.63 0.98 0.00 0.00 173.24 173.53 3cbx s ILE 282 N -1.54 1.80 -0.03 -1.02 -1.09 -1.26 -0.24 121.20 117.82 3cbx s ILE 282 Ca 0.33 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 57.90 3cbx s ILE 282 Cb -0.12 -1.55 -0.01 0.00 -1.58 0.00 0.00 42.46 39.20 3cbx s ILE 282 CO 0.26 0.50 -0.16 0.68 -1.23 0.00 0.00 174.94 174.99 3cbx s VAL 283 N 0.19 1.31 0.19 2.92 -7.23 -0.68 -4.86 120.40 112.25 3cbx s VAL 283 Ca -0.11 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3cbx s VAL 283 Cb -0.15 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 3cbx s VAL 283 CO 0.05 0.38 -0.24 -0.83 -0.31 0.00 0.00 175.10 174.15 3cbx s GLY 284 N -0.17 1.68 -0.08 2.32 0.00 -1.26 -0.31 107.32 109.50 3cbx s GLY 284 Ca 0.02 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.15 3cbx s GLY 284 CO 0.01 -1.64 -0.18 1.62 0.00 0.00 0.00 173.10 172.91 3cbx s GLN 285 N -2.62 2.27 0.00 2.90 0.74 -0.05 -5.00 119.66 117.90 3cbx s GLN 285 Ca 0.20 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.98 3cbx s GLN 285 Cb -0.08 -1.80 0.00 0.00 1.10 0.00 0.00 33.01 32.23 3cbx s GLN 285 CO 0.09 0.12 0.00 0.45 -0.55 0.00 0.00 175.29 175.40 3cbx n SER 286 N 3.60 0.00 0.00 6.67 2.88 -1.26 -0.71 113.62 124.80 3cbx n SER 286 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 3cbx n SER 286 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3cbx n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cbx n GLY 292 N 0.00 2.59 0.00 0.46 0.00 -1.26 -5.07 105.19 101.90 3cbx n GLY 292 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3cbx n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbx n GLY 293 N 0.00 1.53 3.65 -0.02 0.00 0.11 -5.06 105.19 105.39 3cbx n GLY 293 Ca 0.00 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 3cbx n GLY 293 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cbx s ILE 294 N -1.44 4.04 0.13 -0.61 -4.36 -1.26 -0.87 121.20 116.82 3cbx s ILE 294 Ca 0.00 -0.49 0.06 0.00 -0.26 0.00 0.00 60.65 59.95 3cbx s ILE 294 Cb 0.00 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 3cbx s ILE 294 CO 0.00 0.49 -0.14 -0.31 0.24 0.00 0.00 174.94 175.23 3cbx s TYR 295 N -0.96 1.40 -0.20 1.37 1.51 0.57 -0.25 117.35 120.80 3cbx s TYR 295 Ca 0.16 -0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 3cbx s TYR 295 Cb -0.11 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 3cbx s TYR 295 CO 0.06 0.15 1.21 0.42 -1.11 0.00 0.00 175.55 176.27 3cbx s ILE 296 N -2.32 4.37 -0.16 2.71 -1.09 0.15 -1.68 121.20 123.18 3cbx s ILE 296 Ca 0.10 1.65 -0.21 0.00 -2.23 0.00 0.00 60.65 59.97 3cbx s ILE 296 Cb -0.04 -4.10 -0.18 0.00 -1.58 0.00 0.00 42.46 36.56 3cbx s ILE 296 CO 0.03 -0.18 0.36 1.23 -1.23 0.00 0.00 174.94 175.14 3cbx h GLY 297 N 9.77 0.00 -2.94 6.18 0.00 -0.95 0.20 103.07 115.33 3cbx h GLY 297 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 3cbx h GLY 297 CO 0.98 0.00 -0.25 -1.35 0.00 0.00 0.00 176.54 175.92 3cbx s SER 298 N -6.36 -0.02 -0.09 0.19 1.04 -1.24 -4.68 113.70 102.54 3cbx s SER 298 Ca -0.21 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3cbx s SER 298 Cb 0.02 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3cbx s SER 298 CO 0.53 -0.85 -0.13 -0.63 0.98 0.00 0.00 173.24 173.15 3cbx s ILE 299 N -3.89 1.24 -0.15 -1.02 1.01 -1.26 -1.60 121.20 115.53 3cbx s ILE 299 Ca 0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3cbx s ILE 299 Cb 0.03 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3cbx s ILE 299 CO -0.07 0.39 0.54 -0.32 0.00 0.00 0.00 174.94 175.48 3cbx s MET 300 N 0.92 4.28 0.32 2.79 -2.45 -0.09 -5.00 119.30 120.07 3cbx s MET 300 Ca -0.09 0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 54.57 3cbx s MET 300 Cb -0.15 -3.50 -0.12 0.00 1.25 0.00 0.00 34.83 32.30 3cbx s MET 300 CO 0.00 -0.02 1.41 1.17 1.05 0.00 0.00 175.02 178.64 3cbx n LYS 301 N 4.29 2.35 -0.95 4.11 4.81 -1.26 -2.21 118.16 129.30 3cbx n LYS 301 Ca -0.05 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3cbx n LYS 301 Cb 0.51 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.06 3cbx n LYS 301 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cbx n GLY 302 N 1.21 0.79 3.41 3.14 0.00 -1.26 -5.03 105.19 107.46 3cbx n GLY 302 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3cbx n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbx n GLY 303 N -2.11 -1.13 0.20 -0.02 0.00 -0.94 -4.75 105.19 96.45 3cbx n GLY 303 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 3cbx n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cbx h ALA 304 N -1.62 0.57 -0.16 4.61 0.00 -1.58 0.13 119.26 121.21 3cbx h ALA 304 Ca -0.37 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3cbx h ALA 304 Cb 1.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3cbx h ALA 304 CO 0.28 0.07 -0.23 0.28 0.00 0.00 0.00 179.25 179.64 3cbx h VAL 305 N 0.59 1.35 -0.96 0.00 2.07 -1.69 -0.06 116.25 117.56 3cbx h VAL 305 Ca 0.16 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.26 3cbx h VAL 305 Cb 0.01 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3cbx h VAL 305 CO -0.03 0.43 0.63 0.00 0.02 0.00 0.00 177.57 178.62 3cbx h ALA 306 N 0.59 1.26 -0.44 1.67 0.00 -1.75 -0.81 119.26 119.77 3cbx h ALA 306 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3cbx h ALA 306 Cb 0.80 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3cbx h ALA 306 CO 0.05 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 3cbx h ALA 307 N 1.38 0.60 -0.47 0.00 0.00 -0.51 -2.98 119.26 117.28 3cbx h ALA 307 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3cbx h ALA 307 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3cbx h ALA 307 CO -0.11 0.46 0.20 0.22 0.00 0.00 0.00 179.25 180.01 3cbx h ASP 308 N 0.66 0.64 0.00 0.00 3.58 -0.71 -3.48 116.42 117.10 3cbx h ASP 308 Ca 0.12 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3cbx h ASP 308 Cb 0.60 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.48 3cbx h ASP 308 CO 0.04 0.62 0.00 0.61 -2.88 0.00 0.00 179.24 177.63 3cbx n GLY 309 N -0.82 2.16 0.12 -0.78 0.00 -0.34 -4.92 105.19 100.62 3cbx n GLY 309 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3cbx n GLY 309 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cbx h ARG 310 N 2.53 0.30 -6.84 1.61 3.08 -1.91 -3.46 114.38 109.69 3cbx h ARG 310 Ca 0.00 -0.52 -0.48 0.00 0.07 0.00 0.00 59.98 59.05 3cbx h ARG 310 Cb 0.00 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3cbx h ARG 310 CO 0.00 1.19 0.35 0.42 -1.07 0.00 0.00 179.97 180.86 3cbx s ILE 311 N -2.61 4.14 0.13 2.04 1.01 -1.26 -5.07 121.20 119.58 3cbx s ILE 311 Ca -0.10 1.89 0.08 0.00 0.00 0.00 0.00 60.65 62.51 3cbx s ILE 311 Cb 0.06 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3cbx s ILE 311 CO 0.86 0.25 -0.18 -1.61 0.00 0.00 0.00 174.94 174.26 3cbx s GLU 312 N -1.79 1.13 0.29 2.79 2.02 -1.26 -4.96 118.70 116.92 3cbx s GLU 312 Ca 0.47 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 3cbx s GLU 312 Cb -0.21 -1.21 -0.13 0.00 0.10 0.00 0.00 34.13 32.67 3cbx s GLU 312 CO 0.27 0.26 1.19 -2.30 0.02 0.00 0.00 175.26 174.69 3cbx n PRO 313 N 0.68 1.74 0.00 0.39 -0.02 -1.26 -2.06 135.00 134.46 3cbx n PRO 313 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3cbx n PRO 313 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3cbx n PRO 313 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cbx n GLY 314 N 1.28 1.82 3.76 -1.23 0.00 0.71 -4.65 105.19 106.87 3cbx n GLY 314 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3cbx n GLY 314 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cbx s ASP 315 N -1.81 5.19 -0.17 1.61 1.01 -0.87 -4.53 116.67 117.10 3cbx s ASP 315 Ca 0.00 2.26 -0.07 0.00 0.71 0.00 0.00 52.55 55.45 3cbx s ASP 315 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3cbx s ASP 315 CO 0.00 -1.59 0.07 -0.32 0.21 0.00 0.00 175.17 173.55 3cbx s MET 316 N -3.52 3.83 -0.34 8.23 1.75 -0.48 -0.68 119.30 128.10 3cbx s MET 316 Ca 0.74 -0.30 -0.18 0.00 -1.25 0.00 0.00 55.69 54.69 3cbx s MET 316 Cb -0.27 -3.19 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 3cbx s MET 316 CO 0.34 0.39 0.52 -1.17 -0.65 0.00 0.00 175.02 174.45 3cbx s LEU 317 N 0.05 4.29 -0.18 4.11 2.96 0.65 -0.71 118.68 129.85 3cbx s LEU 317 Ca 0.06 0.07 0.13 0.00 -0.22 0.00 0.00 54.13 54.17 3cbx s LEU 317 Cb -0.12 -2.60 -0.23 0.00 0.50 0.00 0.00 46.19 43.73 3cbx s LEU 317 CO 0.01 -0.45 0.14 0.18 -1.32 0.00 0.00 176.35 174.91 3cbx n LEU 318 N 5.72 0.83 -3.60 -0.68 4.77 0.62 -4.52 117.00 120.15 3cbx n LEU 318 Ca -0.05 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 3cbx n LEU 318 Cb 0.49 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 3cbx n LEU 318 CO 0.44 0.58 0.32 -1.58 -1.33 0.00 0.00 177.39 175.82 3cbx s GLN 319 N -2.52 0.93 -0.07 3.23 0.74 -1.12 -0.40 119.66 120.45 3cbx s GLN 319 Ca -0.14 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.47 3cbx s GLN 319 Cb 0.07 0.43 0.02 0.00 1.10 0.00 0.00 33.01 34.63 3cbx s GLN 319 CO 0.79 -0.27 -0.06 0.54 -0.55 0.00 0.00 175.29 175.74 3cbx s VAL 320 N -1.09 0.75 0.00 1.34 0.11 -0.69 -1.45 120.40 119.37 3cbx s VAL 320 Ca -0.11 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 3cbx s VAL 320 Cb -0.02 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3cbx s VAL 320 CO 0.08 0.29 0.00 0.59 -3.33 0.00 0.00 175.10 172.73 3cbx n ASN 321 N 4.45 0.00 -1.60 3.54 3.02 -0.41 -0.21 115.26 124.04 3cbx n ASN 321 Ca -0.18 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.45 3cbx n ASN 321 Cb 0.51 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 40.03 3cbx n ASN 321 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cbx n ASP 322 N 5.79 4.76 -4.18 6.41 5.75 -1.26 -4.84 116.55 128.98 3cbx n ASP 322 Ca 0.00 -2.55 -0.37 0.00 -0.01 0.00 0.00 54.79 51.86 3cbx n ASP 322 Cb 0.00 -0.60 -0.12 0.00 -1.03 0.00 0.00 41.12 39.38 3cbx n ASP 322 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3cbx s MET 323 N -2.06 2.29 -0.05 0.11 -1.94 0.70 -5.06 119.30 113.28 3cbx s MET 323 Ca 0.49 -1.58 -0.25 0.00 -1.71 0.00 0.00 55.69 52.64 3cbx s MET 323 Cb 0.33 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 3cbx s MET 323 CO 0.21 -0.93 0.76 1.21 -0.01 0.00 0.00 175.02 176.26 3cbx s ASN 324 N 1.78 7.07 0.00 3.03 3.84 -1.26 -1.70 114.94 127.70 3cbx s ASN 324 Ca 0.03 1.29 0.27 0.00 0.21 0.00 0.00 52.86 54.66 3cbx s ASN 324 Cb -0.22 -2.45 0.88 0.00 -0.55 0.00 0.00 41.25 38.92 3cbx s ASN 324 CO -0.01 -0.14 1.65 0.49 -2.79 0.00 0.00 177.10 176.29 3cbx n PHE 325 N 3.79 0.00 0.37 0.43 3.72 0.47 -4.11 117.46 122.14 3cbx n PHE 325 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3cbx n PHE 325 Cb 0.51 -0.20 0.54 0.00 -0.94 0.00 0.00 39.48 39.39 3cbx n PHE 325 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3cbx h GLU 326 N 0.63 0.00 -0.26 -1.08 5.08 -1.93 -2.66 114.58 114.35 3cbx h GLU 326 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3cbx h GLU 326 Cb 0.46 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.56 3cbx h GLU 326 CO 0.00 0.00 -0.60 0.09 -1.00 0.00 0.00 179.01 177.50 3cbx n ASN 327 N -2.41 2.82 -4.00 1.42 3.02 -1.26 -5.02 115.26 109.83 3cbx n ASN 327 Ca 0.02 -3.85 -0.11 0.00 -0.03 0.00 0.00 54.58 50.60 3cbx n ASN 327 Cb 0.24 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.82 3cbx n ASN 327 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3cbx s MET 328 N -3.36 0.38 0.78 3.52 1.75 -1.01 -5.15 119.30 116.21 3cbx s MET 328 Ca 0.43 -0.59 -0.10 0.00 -1.25 0.00 0.00 55.69 54.17 3cbx s MET 328 Cb 0.38 -0.10 0.06 0.00 2.84 0.00 0.00 34.83 38.01 3cbx s MET 328 CO -0.03 0.01 1.09 -1.54 -0.65 0.00 0.00 175.02 173.90 3cbx s SER 329 N -1.29 4.46 0.26 1.11 1.04 -1.26 -4.83 113.70 113.18 3cbx s SER 329 Ca -0.11 1.83 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 3cbx s SER 329 Cb -0.09 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.85 3cbx s SER 329 CO -0.00 -2.07 1.82 0.78 0.98 0.00 0.00 173.24 174.75 3cbx h ASN 330 N -1.15 0.89 -0.59 7.02 2.35 -1.94 0.08 115.58 122.23 3cbx h ASN 330 Ca -0.44 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.11 3cbx h ASN 330 Cb 1.23 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3cbx h ASN 330 CO 0.51 0.82 0.15 0.44 -1.65 0.00 0.00 177.43 177.70 3cbx h ASP 331 N 0.93 0.90 -0.41 5.81 3.32 -2.00 -1.59 116.42 123.39 3cbx h ASP 331 Ca 0.21 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3cbx h ASP 331 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3cbx h ASP 331 CO -0.01 0.90 -0.06 0.44 -1.72 0.00 0.00 179.24 178.79 3cbx h ASP 332 N 0.86 0.76 -0.51 6.45 3.32 -1.84 -2.29 116.42 123.17 3cbx h ASP 332 Ca 0.19 -0.34 0.09 0.00 0.02 0.00 0.00 57.03 56.98 3cbx h ASP 332 Cb 0.35 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 3cbx h ASP 332 CO 0.00 0.92 0.08 0.00 -1.72 0.00 0.00 179.24 178.53 3cbx h ALA 333 N 0.86 0.56 -0.64 3.45 0.00 -0.74 -0.30 119.26 122.45 3cbx h ALA 333 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3cbx h ALA 333 Cb 0.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3cbx h ALA 333 CO 0.03 -0.32 0.08 0.28 0.00 0.00 0.00 179.25 179.32 3cbx h VAL 334 N 0.22 1.26 -0.47 0.00 2.07 -1.16 -0.89 116.25 117.27 3cbx h VAL 334 Ca 0.26 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3cbx h VAL 334 Cb 0.36 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3cbx h VAL 334 CO -0.35 0.40 -0.05 0.03 0.02 0.00 0.00 177.57 177.61 3cbx h ARG 335 N 1.00 0.87 -0.44 1.57 3.08 -0.94 -0.81 114.38 118.70 3cbx h ARG 335 Ca 0.19 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3cbx h ARG 335 Cb 0.47 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3cbx h ARG 335 CO 0.02 0.94 0.11 0.28 -1.07 0.00 0.00 179.97 180.24 3cbx h VAL 336 N 0.72 0.79 -0.20 2.04 2.07 -0.89 -1.60 116.25 119.17 3cbx h VAL 336 Ca 0.13 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3cbx h VAL 336 Cb 0.58 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3cbx h VAL 336 CO 0.03 0.05 0.12 0.25 0.02 0.00 0.00 177.57 178.04 3cbx h LEU 337 N 0.25 0.24 -0.47 2.57 5.85 -0.80 -1.47 115.31 121.47 3cbx h LEU 337 Ca 0.21 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3cbx h LEU 337 Cb 0.25 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3cbx h LEU 337 CO -0.26 0.23 0.31 0.03 -0.34 0.00 0.00 178.44 178.41 3cbx h ARG 338 N 0.24 0.62 -0.79 1.25 3.08 -1.00 -0.06 114.38 117.71 3cbx h ARG 338 Ca 0.07 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.15 3cbx h ARG 338 Cb 0.03 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 3cbx h ARG 338 CO -0.01 0.41 0.47 0.22 -1.07 0.00 0.00 179.97 179.98 3cbx h ASP 339 N 0.64 0.71 -0.24 7.04 3.58 -1.02 -1.66 116.42 125.46 3cbx h ASP 339 Ca 0.17 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 3cbx h ASP 339 Cb -0.07 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 3cbx h ASP 339 CO -0.04 0.44 -0.20 0.40 -2.88 0.00 0.00 179.24 176.96 3cbx h ILE 340 N 0.84 1.32 -0.55 2.25 2.04 -0.62 -2.99 117.51 119.79 3cbx h ILE 340 Ca 0.35 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3cbx h ILE 340 Cb 0.22 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3cbx h ILE 340 CO -0.19 0.42 0.37 0.58 0.00 0.00 0.00 178.15 179.32 3cbx h VAL 341 N 0.26 1.11 0.00 1.67 2.07 -0.77 -2.33 116.25 118.26 3cbx h VAL 341 Ca 0.04 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3cbx h VAL 341 Cb 0.75 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3cbx h VAL 341 CO 0.05 0.13 -0.19 0.45 0.02 0.00 0.00 177.57 178.03 3cbx h HIS 342 N 0.71 0.00 -2.75 1.57 3.86 -1.19 -3.44 115.15 113.91 3cbx h HIS 342 Ca 0.21 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.86 3cbx h HIS 342 Cb -0.02 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3cbx h HIS 342 CO -0.00 0.19 -0.42 0.15 0.86 0.00 0.00 177.93 178.70 3cbx s LYS 343 N -3.85 3.47 0.76 2.45 1.02 -0.88 -5.08 119.74 117.64 3cbx s LYS 343 Ca -0.01 -0.46 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 3cbx s LYS 343 Cb 0.11 -2.94 0.05 0.00 -0.52 0.00 0.00 37.83 34.54 3cbx s LYS 343 CO 0.61 0.50 1.09 -1.25 -0.92 0.00 0.00 175.35 175.38 3cbx s PRO 344 N -3.08 2.33 0.00 -1.68 0.04 -1.26 -4.96 135.00 126.39 3cbx s PRO 344 Ca 0.36 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.55 3cbx s PRO 344 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3cbx s PRO 344 CO 0.28 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.14 3cbx n GLY 345 N -1.28 3.45 3.72 0.56 0.00 -1.26 -5.08 105.19 105.30 3cbx n GLY 345 Ca 0.09 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 3cbx n GLY 345 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cbx s PRO 346 N -3.47 1.67 -0.09 1.61 0.04 -1.26 -4.53 135.00 128.97 3cbx s PRO 346 Ca 0.00 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.52 3cbx s PRO 346 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 3cbx s PRO 346 CO 0.00 -2.13 -0.18 0.42 0.04 0.00 0.00 177.00 175.15 3cbx s ILE 347 N -2.62 1.61 -0.23 0.56 1.01 -0.96 -4.99 121.20 115.58 3cbx s ILE 347 Ca 0.66 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3cbx s ILE 347 Cb -0.22 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3cbx s ILE 347 CO 0.55 0.46 -0.01 -0.69 0.00 0.00 0.00 174.94 175.25 3cbx s VAL 348 N 0.60 3.66 -0.17 2.92 1.01 -1.26 -0.03 120.40 127.12 3cbx s VAL 348 Ca -0.15 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3cbx s VAL 348 Cb -0.17 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3cbx s VAL 348 CO 0.05 0.39 0.05 -0.76 0.00 0.00 0.00 175.10 174.83 3cbx s LEU 349 N 1.52 3.79 -0.26 3.92 1.43 0.13 -1.29 118.68 127.91 3cbx s LEU 349 Ca 0.06 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3cbx s LEU 349 Cb -0.15 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3cbx s LEU 349 CO -0.01 0.21 0.08 -0.89 0.23 0.00 0.00 176.35 175.97 3cbx s THR 350 N 0.18 4.33 0.06 5.49 2.01 -0.53 -0.13 115.64 127.05 3cbx s THR 350 Ca 0.04 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.87 3cbx s THR 350 Cb -0.12 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3cbx s THR 350 CO 0.01 0.27 -0.23 0.68 -0.69 0.00 0.00 174.62 174.66 3cbx s VAL 351 N 1.60 1.88 -0.21 3.82 -7.23 -0.52 -0.27 120.40 119.48 3cbx s VAL 351 Ca 0.06 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.70 3cbx s VAL 351 Cb -0.16 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3cbx s VAL 351 CO 0.04 0.21 0.42 0.00 -0.31 0.00 0.00 175.10 175.46 3cbx s ALA 352 N -0.87 3.56 0.26 1.32 0.00 0.11 -0.57 121.76 125.56 3cbx s ALA 352 Ca 0.09 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 3cbx s ALA 352 Cb -0.09 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 3cbx s ALA 352 CO 0.03 -0.37 1.14 0.15 0.00 0.00 0.00 175.76 176.71 3cbx s LYS 353 N 1.47 4.58 0.33 0.00 -0.14 0.02 -1.39 119.74 124.61 3cbx s LYS 353 Ca 0.20 1.86 0.23 0.00 -1.36 0.00 0.00 55.97 56.89 3cbx s LYS 353 Cb -0.15 -3.19 0.19 0.00 -1.68 0.00 0.00 37.83 33.00 3cbx s LYS 353 CO 0.08 0.10 1.35 0.66 -0.76 0.00 0.00 175.35 176.79 3cbx h SER 354 N 4.14 0.00 0.00 2.83 4.64 -1.91 -3.47 113.55 119.78 3cbx h SER 354 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3cbx h SER 354 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3cbx h SER 354 CO 0.69 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3cbx n GLY 355 N 1.14 1.83 7.00 -0.77 0.00 -1.26 -5.00 105.19 108.13 3cbx n GLY 355 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3cbx n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbx n GLY 356 N -2.00 -1.83 2.54 -0.02 0.00 -1.26 -4.95 105.19 97.66 3cbx n GLY 356 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3cbx n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbx n GLY 357 N 0.00 0.85 3.77 -0.02 0.00 -1.26 -5.02 105.19 103.51 3cbx n GLY 357 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cbx n GLY 357 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cbx s TRP 358 N -3.36 2.69 -0.02 1.61 0.52 -1.26 -5.01 118.94 114.10 3cbx s TRP 358 Ca 0.00 1.14 0.03 0.00 0.02 0.00 0.00 56.10 57.29 3cbx s TRP 358 Cb 0.00 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.35 3cbx s TRP 358 CO 0.00 -2.91 -0.09 0.21 0.02 0.00 0.00 176.95 174.18 3cbx s LYS 359 N -1.78 0.94 -0.18 4.98 2.20 -1.26 -5.03 119.74 119.62 3cbx s LYS 359 Ca 0.54 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.67 3cbx s LYS 359 Cb -0.46 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 34.94 3cbx s LYS 359 CO 0.59 0.13 0.44 -0.46 -0.36 0.00 0.00 175.35 175.69 3cbx s TRP 360 N 0.14 3.42 -1.83 4.03 -0.11 -1.26 -4.97 118.94 118.35 3cbx s TRP 360 Ca -0.02 0.73 0.16 0.00 1.22 0.00 0.00 56.10 58.19 3cbx s TRP 360 Cb -0.08 -2.56 0.23 0.00 -1.50 0.00 0.00 33.47 29.56 3cbx s TRP 360 CO 0.00 0.03 1.13 0.66 -4.62 0.00 0.00 176.95 174.15 3cbx n TYR 361 N 4.28 0.21 -4.24 5.86 4.02 -1.26 -5.09 117.16 120.94 3cbx n TYR 361 Ca -0.07 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3cbx n TYR 361 Cb 0.51 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3cbx n TYR 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cbx n GLY 362 N 0.94 -0.55 3.69 2.72 0.00 -1.26 -4.96 105.19 105.78 3cbx n GLY 362 Ca 0.12 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 3cbx n GLY 362 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cbx s TRP 363 N 0.00 2.90 0.00 1.61 0.52 -1.26 -5.30 118.94 117.41 3cbx s TRP 363 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.00 3cbx s TRP 363 Cb 0.00 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 3cbx s TRP 363 CO 0.00 0.53 0.00 1.19 0.02 0.00 0.00 176.95 178.69