#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcb s ALA 302 N 0.00 3.32 0.07 0.55 0.00 -1.26 -5.08 121.76 119.36 3pcb s ALA 302 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3pcb s ALA 302 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 3pcb s ALA 302 CO 0.00 -0.05 -0.15 -0.65 0.00 0.00 0.00 175.76 174.90 3pcb s GLN 303 N -3.92 0.92 -0.94 0.00 -0.21 -1.26 -5.10 119.66 109.15 3pcb s GLN 303 Ca 0.52 -0.94 -0.23 0.00 0.02 0.00 0.00 55.36 54.73 3pcb s GLN 303 Cb -0.10 -0.97 0.07 0.00 1.00 0.00 0.00 33.01 33.00 3pcb s GLN 303 CO 0.32 0.23 1.33 0.34 -2.12 0.00 0.00 175.29 175.39 3pcb s ASP 304 N -1.60 6.46 0.00 5.90 2.15 -1.26 -4.68 116.67 123.65 3pcb s ASP 304 Ca 0.01 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.58 3pcb s ASP 304 Cb -0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3pcb s ASP 304 CO 0.02 -1.46 0.00 -0.46 -0.17 0.00 0.00 175.17 173.11 3pcb n ASN 305 N 8.40 3.52 -4.86 -0.34 0.23 -1.26 -5.01 115.26 115.94 3pcb n ASN 305 Ca 0.25 -0.11 -0.21 0.00 -0.53 0.00 0.00 54.58 53.97 3pcb n ASN 305 Cb 0.50 0.93 -0.04 0.00 -2.08 0.00 0.00 39.78 39.10 3pcb n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pcb s SER 306 N -1.64 5.37 0.06 0.53 0.01 -1.26 -3.12 113.70 113.65 3pcb s SER 306 Ca 0.00 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.87 3pcb s SER 306 Cb 0.00 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 3pcb s SER 306 CO 0.00 -0.31 -0.14 -0.13 0.41 0.00 0.00 173.24 173.07 3pcb s ARG 307 N -3.98 0.84 -0.08 12.44 1.81 0.16 -4.85 118.95 125.29 3pcb s ARG 307 Ca 0.40 -0.90 0.04 0.00 -1.72 0.00 0.00 55.73 53.55 3pcb s ARG 307 Cb -0.06 -0.85 -0.00 0.00 -0.45 0.00 0.00 34.95 33.59 3pcb s ARG 307 CO 0.27 0.19 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.81 3pcb s PHE 308 N -1.16 2.20 0.10 -0.53 0.08 -1.26 -0.83 117.98 116.58 3pcb s PHE 308 Ca -0.01 -0.81 -0.36 0.00 0.12 0.00 0.00 56.93 55.87 3pcb s PHE 308 Cb -0.09 -1.48 -0.16 0.00 -0.57 0.00 0.00 43.02 40.71 3pcb s PHE 308 CO 0.02 -0.32 1.37 0.28 -0.10 0.00 0.00 175.22 176.47 3pcb n VAL 309 N 3.41 0.01 -1.74 -0.44 0.31 -0.22 -4.86 118.33 114.80 3pcb n VAL 309 Ca -0.19 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.72 3pcb n VAL 309 Cb 0.53 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 3pcb n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3pcb n ILE 310 N 2.62 2.24 -2.20 2.52 2.08 -1.26 -4.67 119.36 120.69 3pcb n ILE 310 Ca 0.18 -0.50 -0.38 0.00 0.56 0.00 0.00 62.75 62.61 3pcb n ILE 310 Cb 0.20 -1.80 -0.01 0.00 -0.75 0.00 0.00 39.64 37.29 3pcb n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pcb s ARG 311 N -2.14 3.91 -0.60 0.38 0.52 -1.26 -4.98 118.95 114.78 3pcb s ARG 311 Ca 0.56 1.92 -0.18 0.00 -0.52 0.00 0.00 55.73 57.51 3pcb s ARG 311 Cb -0.50 -2.61 0.11 0.00 0.52 0.00 0.00 34.95 32.48 3pcb s ARG 311 CO 0.61 -0.47 0.70 0.34 0.02 0.00 0.00 175.30 176.50 3pcb s ASP 312 N -1.08 6.21 0.00 0.23 2.15 -1.26 -4.91 116.67 118.00 3pcb s ASP 312 Ca 0.59 -1.52 0.18 0.00 0.43 0.00 0.00 52.55 52.23 3pcb s ASP 312 Cb -0.33 -2.29 1.07 0.00 -0.30 0.00 0.00 42.92 41.07 3pcb s ASP 312 CO 0.41 -1.08 1.52 0.54 -0.17 0.00 0.00 175.17 176.39 3pcb n ARG 313 N 6.17 0.73 -0.01 4.34 1.74 -1.26 -2.18 116.66 126.20 3pcb n ARG 313 Ca -0.09 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.09 3pcb n ARG 313 Cb 0.42 -1.38 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3pcb n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pcb n ASN 314 N -0.88 0.70 -0.07 0.55 3.02 -1.26 -4.45 115.26 112.88 3pcb n ASN 314 Ca 0.13 -0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 3pcb n ASN 314 Cb 0.06 1.78 -0.13 0.00 -0.61 0.00 0.00 39.78 40.88 3pcb n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pcb h TRP 315 N 0.00 0.06 -4.28 3.10 2.91 -1.86 -3.44 115.95 112.44 3pcb h TRP 315 Ca 0.00 -0.04 -0.51 0.00 1.13 0.00 0.00 58.89 59.47 3pcb h TRP 315 Cb 0.82 -0.00 0.10 0.00 -0.51 0.00 0.00 29.16 29.57 3pcb h TRP 315 CO 0.00 1.16 0.36 -1.01 -1.03 0.00 0.00 178.44 177.92 3pcb s HIS 316 N -2.28 2.87 0.52 2.65 3.76 -1.09 -4.73 115.29 116.99 3pcb s HIS 316 Ca -0.21 1.50 -0.21 0.00 -0.15 0.00 0.00 55.06 55.98 3pcb s HIS 316 Cb -0.00 -2.99 -0.06 0.00 1.11 0.00 0.00 32.58 30.63 3pcb s HIS 316 CO 0.68 -1.42 1.20 -1.25 -0.85 0.00 0.00 174.74 173.10 3pcb s PRO 317 N -4.65 3.42 0.84 8.40 0.04 -1.26 -4.80 135.00 136.98 3pcb s PRO 317 Ca 0.61 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 3pcb s PRO 317 Cb -0.16 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.26 3pcb s PRO 317 CO 0.49 -0.85 1.12 0.15 0.04 0.00 0.00 177.00 177.96 3pcb s LYS 318 N -2.97 1.74 0.02 4.56 -0.14 -1.24 -5.00 119.74 116.72 3pcb s LYS 318 Ca 0.69 0.41 -0.23 0.00 -1.36 0.00 0.00 55.97 55.49 3pcb s LYS 318 Cb -0.30 -1.90 -0.16 0.00 -1.68 0.00 0.00 37.83 33.79 3pcb s LYS 318 CO 0.35 -1.81 1.35 0.00 -0.76 0.00 0.00 175.35 174.48 3pcb h ALA 319 N -1.22 0.13 -2.34 5.17 0.00 -1.95 -3.41 119.26 115.63 3pcb h ALA 319 Ca -0.48 -0.26 -0.72 0.00 0.00 0.00 0.00 54.91 53.44 3pcb h ALA 319 Cb 1.30 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 3pcb h ALA 319 CO 0.62 -0.08 -0.30 -1.17 0.00 0.00 0.00 179.25 178.31 3pcb s LEU 320 N -9.25 5.32 -0.48 0.00 2.96 -1.26 -4.72 118.68 111.25 3pcb s LEU 320 Ca -0.15 -1.08 0.04 0.00 -0.22 0.00 0.00 54.13 52.72 3pcb s LEU 320 Cb 0.04 -2.23 0.16 0.00 0.50 0.00 0.00 46.19 44.66 3pcb s LEU 320 CO 0.71 -0.61 0.35 0.42 -1.32 0.00 0.00 176.35 175.91 3pcb s THR 321 N 1.82 1.10 0.30 3.68 -4.23 -1.26 -5.04 115.64 112.02 3pcb s THR 321 Ca 0.07 -2.95 0.17 0.00 -1.18 0.00 0.00 61.69 57.79 3pcb s THR 321 Cb -0.21 -1.75 0.28 0.00 1.34 0.00 0.00 72.50 72.16 3pcb s THR 321 CO 0.09 -1.11 1.28 -2.65 -0.54 0.00 0.00 174.62 171.70 3pcb n PRO 322 N 2.84 -0.05 0.26 3.99 -0.02 -1.26 0.01 135.00 140.77 3pcb n PRO 322 Ca 0.23 1.12 0.09 0.00 -2.02 0.00 0.00 63.50 62.92 3pcb n PRO 322 Cb 0.42 -2.02 0.69 0.00 -0.02 0.00 0.00 33.50 32.57 3pcb n PRO 322 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3pcb h ASP 323 N 0.00 0.00 -3.07 2.55 3.32 -1.96 -3.04 116.42 114.22 3pcb h ASP 323 Ca 0.69 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.98 3pcb h ASP 323 Cb 1.83 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 41.15 3pcb h ASP 323 CO -0.63 0.03 0.63 -0.47 -1.72 0.00 0.00 179.24 177.08 3pcb s TYR 324 N -4.89 3.69 0.27 4.55 5.04 0.10 -4.87 117.35 121.24 3pcb s TYR 324 Ca -0.05 -2.07 -0.05 0.00 -2.44 0.00 0.00 57.07 52.46 3pcb s TYR 324 Cb 0.16 -4.04 0.50 0.00 0.35 0.00 0.00 41.96 38.93 3pcb s TYR 324 CO 0.64 -1.18 1.46 1.63 -1.34 0.00 0.00 175.55 176.76 3pcb n LYS 325 N 4.60 -0.08 0.26 4.97 5.02 -1.15 -1.18 118.16 130.59 3pcb n LYS 325 Ca 0.24 1.44 0.11 0.00 -2.02 0.00 0.00 58.31 58.09 3pcb n LYS 325 Cb 0.45 -2.19 0.69 0.00 -0.02 0.00 0.00 35.03 33.96 3pcb n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pcb h THR 326 N 0.00 0.67 0.00 -0.18 2.02 -1.91 -2.26 112.91 111.25 3pcb h THR 326 Ca 0.48 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3pcb h THR 326 Cb 0.79 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3pcb h THR 326 CO -0.94 0.13 -0.11 0.77 0.37 0.00 0.00 175.52 175.73 3pcb h SER 327 N 0.00 0.00 -0.00 4.18 4.64 -1.45 -3.08 113.55 117.84 3pcb h SER 327 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3pcb h SER 327 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 3pcb h SER 327 CO 0.02 0.11 -0.35 0.40 -0.87 0.00 0.00 176.83 176.13 3pcb h ILE 328 N 0.00 0.25 -0.00 0.95 2.04 -1.52 -2.71 117.51 116.51 3pcb h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcb h ILE 328 Cb 0.31 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3pcb h ILE 328 CO 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.91 3pcb n ALA 329 N -2.81 2.96 -1.62 1.87 0.00 -1.22 -4.14 120.51 115.54 3pcb n ALA 329 Ca -0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 3pcb n ALA 329 Cb 0.34 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.64 3pcb n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pcb n ARG 330 N -1.45 2.43 -4.43 0.00 1.74 -1.04 -4.98 116.66 108.93 3pcb n ARG 330 Ca 0.07 -3.50 -0.22 0.00 -0.77 0.00 0.00 57.85 53.43 3pcb n ARG 330 Cb 0.33 -2.00 -0.16 0.00 -1.02 0.00 0.00 32.46 29.62 3pcb n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pcb s SER 331 N -2.80 1.37 0.68 0.55 1.04 -1.08 -4.94 113.70 108.52 3pcb s SER 331 Ca 0.49 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.53 3pcb s SER 331 Cb 0.42 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.02 3pcb s SER 331 CO 0.00 0.03 1.23 -2.84 0.98 0.00 0.00 173.24 172.64 3pcb s PRO 332 N 0.49 2.43 -0.02 4.02 0.02 -1.26 -4.95 135.00 135.74 3pcb s PRO 332 Ca -0.09 1.85 0.16 0.00 0.02 0.00 0.00 61.00 62.94 3pcb s PRO 332 Cb -0.12 -1.86 -0.24 0.00 0.02 0.00 0.00 34.50 32.30 3pcb s PRO 332 CO 0.02 -1.63 0.42 0.54 -0.33 0.00 0.00 177.00 176.02 3pcb n ARG 333 N -2.26 0.74 -3.01 5.54 5.12 -1.26 -4.93 116.66 116.59 3pcb n ARG 333 Ca 0.14 -0.12 -0.28 0.00 -1.93 0.00 0.00 57.85 55.66 3pcb n ARG 333 Cb 0.50 -1.36 -0.02 0.00 -1.16 0.00 0.00 32.46 30.41 3pcb n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pcb s GLN 334 N -3.02 3.61 0.55 5.56 -1.52 -1.26 -5.06 119.66 118.52 3pcb s GLN 334 Ca -0.04 0.10 -0.18 0.00 -1.95 0.00 0.00 55.36 53.30 3pcb s GLN 334 Cb 0.11 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.34 3pcb s GLN 334 CO 0.68 0.01 1.08 0.00 -0.25 0.00 0.00 175.29 176.81 3pcb s ALA 335 N -2.40 2.74 0.56 6.09 0.00 -1.26 -5.01 121.76 122.48 3pcb s ALA 335 Ca 0.46 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3pcb s ALA 335 Cb -0.10 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3pcb s ALA 335 CO 0.36 -0.69 1.14 -0.51 0.00 0.00 0.00 175.76 176.06 3pcb s LEU 336 N -4.04 3.71 -0.31 0.00 1.43 -1.26 -4.99 118.68 113.22 3pcb s LEU 336 Ca 0.67 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.84 3pcb s LEU 336 Cb -0.19 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 3pcb s LEU 336 CO 0.29 -1.32 0.32 -0.69 0.23 0.00 0.00 176.35 175.18 3pcb s VAL 337 N -1.77 5.21 0.30 -1.59 1.01 -1.26 -5.06 120.40 117.23 3pcb s VAL 337 Ca 0.73 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 3pcb s VAL 337 Cb -0.25 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3pcb s VAL 337 CO 0.29 0.04 0.95 -0.44 0.00 0.00 0.00 175.10 175.95 3pcb s SER 338 N 1.71 7.41 0.02 3.32 0.01 -1.26 -5.06 113.70 119.85 3pcb s SER 338 Ca 0.11 1.90 -0.03 0.00 1.31 0.00 0.00 55.95 59.24 3pcb s SER 338 Cb -0.16 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 3pcb s SER 338 CO 0.11 -0.02 0.04 0.27 0.41 0.00 0.00 173.24 174.05 3pcb s ILE 339 N -1.46 0.12 0.69 1.44 -4.36 -1.26 -5.14 121.20 111.22 3pcb s ILE 339 Ca 0.47 -0.99 -0.16 0.00 -0.26 0.00 0.00 60.65 59.72 3pcb s ILE 339 Cb -0.22 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 42.94 3pcb s ILE 339 CO 0.27 -0.54 1.22 -2.16 0.24 0.00 0.00 174.94 173.97 3pcb s PRO 340 N -1.94 2.37 0.19 0.37 0.04 -1.26 -4.97 135.00 129.80 3pcb s PRO 340 Ca -0.11 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3pcb s PRO 340 Cb -0.06 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3pcb s PRO 340 CO -0.02 -1.67 0.95 -0.65 0.04 0.00 0.00 177.00 175.65 3pcb s GLN 341 N -3.72 4.80 0.39 4.56 -0.21 -1.26 -5.01 119.66 119.21 3pcb s GLN 341 Ca 0.76 1.48 0.04 0.00 0.02 0.00 0.00 55.36 57.66 3pcb s GLN 341 Cb -0.31 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 3pcb s GLN 341 CO 0.42 0.40 0.16 -1.54 -2.12 0.00 0.00 175.29 172.61 3pcb s SER 342 N -0.74 2.51 0.58 5.90 1.04 -1.26 -5.00 113.70 116.73 3pcb s SER 342 Ca 0.43 -1.69 0.27 0.00 0.48 0.00 0.00 55.95 55.44 3pcb s SER 342 Cb -0.25 0.52 1.66 0.00 0.10 0.00 0.00 66.02 68.05 3pcb s SER 342 CO 0.31 -0.96 2.18 -0.29 0.98 0.00 0.00 173.24 175.47 3pcb h ILE 343 N 1.88 0.60 -0.33 -1.02 2.10 -1.96 -0.67 117.51 118.11 3pcb h ILE 343 Ca -0.33 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.61 3pcb h ILE 343 Cb 1.26 0.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.92 3pcb h ILE 343 CO 0.52 0.00 0.21 0.28 -1.08 0.00 0.00 178.15 178.09 3pcb h SER 344 N 0.00 0.36 0.80 2.19 0.02 -1.95 -3.07 113.55 111.90 3pcb h SER 344 Ca 0.04 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 3pcb h SER 344 Cb 0.18 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3pcb h SER 344 CO -0.00 0.26 -1.30 -0.33 -1.14 0.00 0.00 176.83 174.32 3pcb h GLU 345 N 0.43 0.00 -0.25 3.45 3.07 -1.57 -3.38 114.58 116.33 3pcb h GLU 345 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3pcb h GLU 345 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3pcb h GLU 345 CO -0.04 0.34 0.00 0.25 -1.40 0.00 0.00 179.01 178.17 3pcb n THR 346 N -2.95 0.32 -4.41 1.13 -2.24 -0.42 -3.05 114.28 102.66 3pcb n THR 346 Ca -0.08 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 3pcb n THR 346 Cb 0.84 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 3pcb n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pcb s THR 347 N -1.68 2.37 0.11 4.28 -4.23 -1.16 -4.70 115.64 110.62 3pcb s THR 347 Ca 0.34 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.61 3pcb s THR 347 Cb 0.19 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 71.27 3pcb s THR 347 CO 0.28 -0.13 1.06 -0.83 -0.54 0.00 0.00 174.62 174.46 3pcb s GLY 348 N -3.72 -0.25 0.61 3.99 0.00 -1.22 -1.89 107.32 104.84 3pcb s GLY 348 Ca 0.35 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 3pcb s GLY 348 CO 0.19 0.29 1.08 2.56 0.00 0.00 0.00 173.10 177.23 3pcb s PRO 349 N -2.96 3.13 -0.11 2.90 0.04 -1.26 -4.84 135.00 131.90 3pcb s PRO 349 Ca 0.14 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.51 3pcb s PRO 349 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3pcb s PRO 349 CO 0.01 -0.97 -0.19 1.21 0.04 0.00 0.00 177.00 177.10 3pcb s ASN 350 N -2.62 2.71 -0.25 6.66 3.84 -1.26 -4.87 114.94 119.15 3pcb s ASN 350 Ca 0.66 -0.49 0.14 0.00 0.21 0.00 0.00 52.86 53.37 3pcb s ASN 350 Cb -0.18 -1.23 0.73 0.00 -0.55 0.00 0.00 41.25 40.02 3pcb s ASN 350 CO 0.38 0.07 1.69 0.49 -2.79 0.00 0.00 177.10 176.93 3pcb n PHE 351 N 3.98 1.90 -0.33 0.43 3.72 -1.26 -4.56 117.46 121.34 3pcb n PHE 351 Ca -0.20 -0.90 0.12 0.00 -0.05 0.00 0.00 57.45 56.42 3pcb n PHE 351 Cb 0.52 -0.51 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 3pcb n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pcb h SER 352 N 3.12 0.75 -0.44 4.37 0.02 -1.97 0.15 113.55 119.55 3pcb h SER 352 Ca 0.07 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3pcb h SER 352 Cb 1.95 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.41 3pcb h SER 352 CO 0.49 0.32 0.00 1.41 -1.14 0.00 0.00 176.83 177.92 3pcb n HIS 353 N -4.66 0.68 -2.35 3.45 8.25 -1.26 -4.91 115.22 114.42 3pcb n HIS 353 Ca 0.21 -0.32 -0.38 0.00 -0.26 0.00 0.00 57.72 56.97 3pcb n HIS 353 Cb 0.52 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3pcb n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pcb s LEU 354 N -1.08 4.20 -0.83 2.41 2.96 0.04 -4.96 118.68 121.42 3pcb s LEU 354 Ca 0.30 2.28 -0.18 0.00 -0.22 0.00 0.00 54.13 56.32 3pcb s LEU 354 Cb 0.17 -4.03 0.14 0.00 0.50 0.00 0.00 46.19 42.97 3pcb s LEU 354 CO 0.19 -0.61 0.97 -0.83 -1.32 0.00 0.00 176.35 174.74 3pcb s GLY 355 N -1.20 2.03 0.19 7.98 0.00 -1.26 -5.03 107.32 110.03 3pcb s GLY 355 Ca 0.56 -2.74 -0.28 0.00 0.00 0.00 0.00 44.72 42.26 3pcb s GLY 355 CO 0.37 1.78 0.89 -1.36 0.00 0.00 0.00 173.10 174.77 3pcb s PHE 356 N 2.22 3.93 0.74 1.90 0.08 -1.26 -5.05 117.98 120.54 3pcb s PHE 356 Ca 0.25 1.80 -0.11 0.00 0.12 0.00 0.00 56.93 59.00 3pcb s PHE 356 Cb -0.10 -2.92 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 3pcb s PHE 356 CO -0.05 0.44 1.08 0.20 -0.10 0.00 0.00 175.22 176.78 3pcb s GLY 357 N -0.98 1.66 0.23 4.36 0.00 -1.26 -4.92 107.32 106.41 3pcb s GLY 357 Ca 0.40 0.12 0.24 0.00 0.00 0.00 0.00 44.72 45.48 3pcb s GLY 357 CO 0.30 0.46 1.72 0.00 0.00 0.00 0.00 173.10 175.58 3pcb n ALA 358 N -3.34 1.82 -0.85 3.20 0.00 -1.26 -2.39 120.51 117.70 3pcb n ALA 358 Ca 0.08 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3pcb n ALA 358 Cb 0.54 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.69 3pcb n ALA 358 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3pcb n HIS 359 N -2.20 0.00 -0.34 0.00 8.25 -1.26 -4.77 115.22 114.90 3pcb n HIS 359 Ca 0.03 -0.89 0.10 0.00 -0.26 0.00 0.00 57.72 56.69 3pcb n HIS 359 Cb 0.28 -0.13 0.27 0.00 1.12 0.00 0.00 29.99 31.53 3pcb n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pcb h ASP 360 N 0.00 0.76 -0.64 0.41 5.19 -1.77 0.22 116.42 120.60 3pcb h ASP 360 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3pcb h ASP 360 Cb 0.90 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3pcb h ASP 360 CO 0.00 0.32 0.00 0.00 -3.12 0.00 0.00 179.24 176.44 3pcb n HIS 361 N -4.75 0.90 -3.81 4.55 1.44 -1.18 -2.76 115.22 109.60 3pcb n HIS 361 Ca 0.20 -0.44 -0.33 0.00 -2.01 0.00 0.00 57.72 55.15 3pcb n HIS 361 Cb 0.47 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.45 3pcb n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pcb s ASP 362 N -0.99 4.94 0.26 4.39 -1.08 0.07 -1.89 116.67 122.37 3pcb s ASP 362 Ca 0.43 -3.15 0.19 0.00 -0.52 0.00 0.00 52.55 49.50 3pcb s ASP 362 Cb 0.23 -1.76 0.97 0.00 -1.46 0.00 0.00 42.92 40.90 3pcb s ASP 362 CO 0.29 -0.26 1.57 0.18 0.52 0.00 0.00 175.17 177.46 3pcb n LEU 363 N 3.01 0.48 0.21 -1.34 4.32 0.12 -0.52 117.00 123.29 3pcb n LEU 363 Ca 0.10 0.71 0.11 0.00 -0.02 0.00 0.00 56.01 56.90 3pcb n LEU 363 Cb 0.35 -0.75 0.19 0.00 -1.62 0.00 0.00 43.42 41.59 3pcb n LEU 363 CO 0.33 -0.82 0.76 -0.07 -1.22 0.00 0.00 177.39 176.37 3pcb h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.91 -3.38 115.31 116.32 3pcb h LEU 364 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pcb h LEU 364 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3pcb h LEU 364 CO 0.00 0.10 -0.23 0.18 -1.08 0.00 0.00 178.44 177.41 3pcb n LEU 365 N -3.13 0.00 0.00 1.67 4.77 -0.20 -4.58 117.00 115.53 3pcb n LEU 365 Ca 0.03 -0.18 0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3pcb n LEU 365 Cb 0.55 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.45 3pcb n LEU 365 CO 0.35 0.00 1.02 -0.46 -1.33 0.00 0.00 177.39 176.96 3pcb n ASN 366 N -0.71 0.00 -0.00 -1.43 0.23 0.33 -5.05 115.26 108.63 3pcb n ASN 366 Ca 0.00 -1.14 -0.00 0.00 -0.53 0.00 0.00 54.58 52.91 3pcb n ASN 366 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3pcb n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pcb n PHE 367 N -0.93 0.02 0.00 -2.53 7.35 -1.26 -5.00 117.46 115.11 3pcb n PHE 367 Ca 0.20 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 3pcb n PHE 367 Cb 0.09 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 39.80 3pcb n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pcb n GLY 371 N 1.60 0.00 3.88 7.13 0.00 -1.26 -4.83 105.19 111.71 3pcb n GLY 371 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3pcb n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pcb s LEU 372 N 0.00 4.39 0.66 0.99 1.02 -1.26 -4.83 118.68 119.64 3pcb s LEU 372 Ca 0.00 0.49 -0.17 0.00 0.02 0.00 0.00 54.13 54.47 3pcb s LEU 372 Cb 0.00 -2.22 -0.00 0.00 0.02 0.00 0.00 46.19 43.99 3pcb s LEU 372 CO 0.00 0.37 1.23 -2.16 0.02 0.00 0.00 176.35 175.81 3pcb s PRO 373 N -1.21 2.55 0.12 1.29 0.05 -1.26 -4.81 135.00 131.74 3pcb s PRO 373 Ca 0.18 1.85 -0.20 0.00 0.05 0.00 0.00 61.00 62.88 3pcb s PRO 373 Cb -0.12 -1.87 -0.07 0.00 0.05 0.00 0.00 34.50 32.48 3pcb s PRO 373 CO 0.08 -1.54 0.63 0.42 0.05 0.00 0.00 177.00 176.64 3pcb s ILE 374 N -1.71 4.66 0.00 0.56 1.01 -1.26 -5.00 121.20 119.46 3pcb s ILE 374 Ca 0.77 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.68 3pcb s ILE 374 Cb -0.31 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3pcb s ILE 374 CO 0.39 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.39 3pcb n GLY 375 N 1.40 2.60 3.63 6.18 0.00 -1.26 -4.53 105.19 113.21 3pcb n GLY 375 Ca -0.07 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3pcb n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcb s GLU 376 N -1.82 3.83 -0.16 1.61 2.02 -1.26 -4.90 118.70 118.02 3pcb s GLU 376 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 54.97 56.26 3pcb s GLU 376 Cb 0.00 -3.99 -0.02 0.00 0.10 0.00 0.00 34.13 30.22 3pcb s GLU 376 CO 0.00 -1.24 1.37 1.03 0.02 0.00 0.00 175.26 176.44 3pcb s ARG 377 N 4.53 4.16 0.08 1.61 0.52 -1.26 -0.77 118.95 127.82 3pcb s ARG 377 Ca 0.67 1.73 -0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3pcb s ARG 377 Cb -0.23 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 3pcb s ARG 377 CO 0.27 -0.82 -0.02 0.96 0.02 0.00 0.00 175.30 175.72 3pcb s ILE 378 N 3.82 0.30 -0.13 1.52 -4.36 -0.28 -1.81 121.20 120.27 3pcb s ILE 378 Ca 0.60 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3pcb s ILE 378 Cb -0.24 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 3pcb s ILE 378 CO 0.20 -0.84 -0.14 -0.63 0.24 0.00 0.00 174.94 173.77 3pcb s ILE 379 N -3.88 2.92 -0.28 8.37 1.01 0.28 -0.51 121.20 129.10 3pcb s ILE 379 Ca 0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3pcb s ILE 379 Cb 0.07 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.36 3pcb s ILE 379 CO -0.06 0.53 -0.00 -0.69 0.00 0.00 0.00 174.94 174.72 3pcb s VAL 380 N 0.41 3.18 0.16 2.92 1.01 -0.51 -0.60 120.40 126.96 3pcb s VAL 380 Ca -0.11 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.77 3pcb s VAL 380 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3pcb s VAL 380 CO 0.05 0.04 0.02 0.00 0.00 0.00 0.00 175.10 175.22 3pcb s ALA 381 N 1.34 1.17 0.00 5.51 0.00 -0.61 0.30 121.76 129.46 3pcb s ALA 381 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3pcb s ALA 381 Cb -0.18 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3pcb s ALA 381 CO -0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3pcb n GLY 382 N -0.19 -1.12 3.25 0.00 0.00 -1.05 -0.33 105.19 105.75 3pcb n GLY 382 Ca -0.06 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3pcb n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcb s ARG 383 N -0.71 1.06 -0.23 1.61 3.52 -1.25 -1.91 118.95 121.04 3pcb s ARG 383 Ca 0.00 -1.26 -0.05 0.00 -0.13 0.00 0.00 55.73 54.30 3pcb s ARG 383 Cb 0.00 -0.97 -0.01 0.00 -1.56 0.00 0.00 34.95 32.40 3pcb s ARG 383 CO 0.00 0.19 -0.01 0.08 -0.81 0.00 0.00 175.30 174.75 3pcb s VAL 384 N -2.09 3.62 0.32 7.11 1.01 0.13 -0.65 120.40 129.85 3pcb s VAL 384 Ca 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3pcb s VAL 384 Cb -0.05 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3pcb s VAL 384 CO 0.03 0.40 0.06 0.68 0.00 0.00 0.00 175.10 176.28 3pcb s VAL 385 N 1.52 1.10 0.51 2.92 -7.23 0.17 -1.28 120.40 118.11 3pcb s VAL 385 Ca 0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 3pcb s VAL 385 Cb -0.14 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.07 3pcb s VAL 385 CO -0.01 0.00 0.61 1.51 -0.31 0.00 0.00 175.10 176.89 3pcb s ASP 386 N -3.46 5.11 0.62 4.85 1.47 -0.03 0.98 116.67 126.21 3pcb s ASP 386 Ca 0.37 -0.83 0.36 0.00 1.18 0.00 0.00 52.55 53.63 3pcb s ASP 386 Cb 0.09 -0.01 2.08 0.00 -0.34 0.00 0.00 42.92 44.74 3pcb s ASP 386 CO 0.15 -1.07 2.31 1.56 0.68 0.00 0.00 175.17 178.80 3pcb h GLN 387 N 0.52 0.00 -0.00 2.11 4.20 -1.22 -0.84 115.11 119.88 3pcb h GLN 387 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3pcb h GLN 387 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3pcb h GLN 387 CO 0.47 0.00 -0.04 0.66 -0.67 0.00 0.00 178.83 179.25 3pcb n TYR 388 N -3.53 0.00 -0.67 2.96 4.01 -1.26 -4.92 117.16 113.76 3pcb n TYR 388 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3pcb n TYR 388 Cb 0.08 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 3pcb n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pcb n GLY 389 N 1.29 0.64 3.76 2.72 0.00 -0.32 -5.06 105.19 108.22 3pcb n GLY 389 Ca 0.14 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3pcb n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcb s LYS 390 N -0.71 4.37 0.62 1.61 2.20 -1.26 -4.78 119.74 121.79 3pcb s LYS 390 Ca 0.00 0.85 -0.18 0.00 -0.36 0.00 0.00 55.97 56.28 3pcb s LYS 390 Cb 0.00 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 3pcb s LYS 390 CO 0.00 0.37 1.19 -2.14 -0.36 0.00 0.00 175.35 174.41 3pcb s PRO 391 N -0.25 2.86 -0.54 4.03 0.02 -1.26 -0.85 135.00 139.00 3pcb s PRO 391 Ca 0.33 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3pcb s PRO 391 Cb -0.19 -1.92 0.14 0.00 0.02 0.00 0.00 34.50 32.55 3pcb s PRO 391 CO 0.19 -1.28 0.32 0.08 -0.33 0.00 0.00 177.00 175.98 3pcb s VAL 392 N -1.73 3.13 0.51 3.83 1.01 -0.40 -4.83 120.40 121.92 3pcb s VAL 392 Ca 0.76 -2.97 -0.17 0.00 0.00 0.00 0.00 61.98 59.60 3pcb s VAL 392 Cb -0.29 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 3pcb s VAL 392 CO 0.35 -0.81 0.98 -2.16 0.00 0.00 0.00 175.10 173.47 3pcb s PRO 393 N 0.04 3.97 -1.43 2.72 0.04 -1.26 -4.27 135.00 134.81 3pcb s PRO 393 Ca 0.16 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 3pcb s PRO 393 Cb -0.22 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3pcb s PRO 393 CO -0.03 -0.25 0.35 0.09 0.04 0.00 0.00 177.00 177.20 3pcb n ASN 394 N -1.52 -0.16 -4.70 6.66 4.13 -0.77 -4.96 115.26 113.94 3pcb n ASN 394 Ca 0.07 -1.06 -0.25 0.00 1.68 0.00 0.00 54.58 55.02 3pcb n ASN 394 Cb 0.54 -2.80 -0.07 0.00 -1.54 0.00 0.00 39.78 35.91 3pcb n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pcb s THR 395 N -4.03 3.87 -0.16 3.41 -1.32 -1.26 -4.56 115.64 111.60 3pcb s THR 395 Ca 0.01 -1.47 -0.19 0.00 -1.21 0.00 0.00 61.69 58.83 3pcb s THR 395 Cb -0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.95 3pcb s THR 395 CO 0.91 -0.19 0.52 -0.22 -2.21 0.00 0.00 174.62 173.42 3pcb s LEU 396 N -3.23 4.21 -0.17 9.08 2.96 -1.26 -0.40 118.68 129.87 3pcb s LEU 396 Ca 0.29 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 3pcb s LEU 396 Cb -0.09 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.88 3pcb s LEU 396 CO 0.20 -0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 3pcb s VAL 397 N 1.20 2.37 0.03 1.68 1.01 -0.55 -1.56 120.40 124.58 3pcb s VAL 397 Ca 0.26 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3pcb s VAL 397 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3pcb s VAL 397 CO 0.10 0.52 -0.21 -1.61 0.00 0.00 0.00 175.10 173.91 3pcb s GLU 398 N 1.08 1.44 -0.00 2.72 2.02 -0.23 -0.78 118.70 124.96 3pcb s GLU 398 Ca -0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 3pcb s GLU 398 Cb -0.14 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.58 3pcb s GLU 398 CO -0.06 0.39 0.21 0.00 0.02 0.00 0.00 175.26 175.83 3pcb s MET 399 N -1.04 0.58 0.01 1.61 0.23 -0.44 -1.19 119.30 119.06 3pcb s MET 399 Ca 0.07 -0.33 -0.11 0.00 -1.03 0.00 0.00 55.69 54.29 3pcb s MET 399 Cb -0.09 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3pcb s MET 399 CO 0.01 -0.15 0.22 1.67 -2.03 0.00 0.00 175.02 174.74 3pcb s TRP 400 N -1.46 -0.03 0.22 3.16 -2.14 -0.82 -1.41 118.94 116.47 3pcb s TRP 400 Ca -0.14 -0.06 -0.23 0.00 2.66 0.00 0.00 56.10 58.34 3pcb s TRP 400 Cb -0.06 0.01 0.04 0.00 -3.10 0.00 0.00 33.47 30.36 3pcb s TRP 400 CO 0.02 -0.38 0.84 1.14 -2.66 0.00 0.00 176.95 175.91 3pcb s GLN 401 N -1.87 1.52 0.79 3.25 -2.07 -0.60 -0.47 119.66 120.21 3pcb s GLN 401 Ca -0.10 -0.85 -0.08 0.00 -1.82 0.00 0.00 55.36 52.51 3pcb s GLN 401 Cb -0.04 0.51 0.13 0.00 -1.09 0.00 0.00 33.01 32.52 3pcb s GLN 401 CO 0.00 -0.70 1.10 0.00 -1.32 0.00 0.00 175.29 174.38 3pcb s ALA 402 N -3.56 3.06 0.84 2.60 0.00 -1.26 -4.62 121.76 118.81 3pcb s ALA 402 Ca 0.12 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3pcb s ALA 402 Cb -0.04 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.69 3pcb s ALA 402 CO 0.05 -1.71 0.37 0.27 0.00 0.00 0.00 175.76 174.73 3pcb n ASN 403 N -3.16 0.14 0.27 0.00 0.23 -0.49 -4.47 115.26 107.79 3pcb n ASN 403 Ca 0.13 -1.20 0.18 0.00 -0.53 0.00 0.00 54.58 53.15 3pcb n ASN 403 Cb 0.60 -0.27 0.92 0.00 -2.08 0.00 0.00 39.78 38.95 3pcb n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcb h ALA 404 N -1.49 1.49 -0.03 -2.53 0.00 -1.80 -0.30 119.26 114.60 3pcb h ALA 404 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3pcb h ALA 404 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pcb h ALA 404 CO 0.10 -0.25 -0.13 0.41 0.00 0.00 0.00 179.25 179.37 3pcb n GLY 405 N -1.28 0.70 1.53 0.00 0.00 -1.26 -3.41 105.19 101.46 3pcb n GLY 405 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3pcb n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcb n GLY 406 N 1.36 0.54 3.71 -0.02 0.00 -0.20 -4.81 105.19 105.79 3pcb n GLY 406 Ca 0.13 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3pcb n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcb s ARG 407 N -1.27 4.20 0.24 1.61 6.06 -1.26 -4.73 118.95 123.80 3pcb s ARG 407 Ca 0.00 -0.07 -0.07 0.00 -2.50 0.00 0.00 55.73 53.09 3pcb s ARG 407 Cb 0.00 -3.45 -0.06 0.00 0.06 0.00 0.00 34.95 31.49 3pcb s ARG 407 CO 0.00 0.20 0.53 0.71 -2.50 0.00 0.00 175.30 174.25 3pcb s TYR 408 N 0.61 3.45 -1.19 5.12 2.02 -1.26 -1.40 117.35 124.70 3pcb s TYR 408 Ca 0.12 0.75 -0.10 0.00 -0.37 0.00 0.00 57.07 57.47 3pcb s TYR 408 Cb -0.12 -2.17 0.22 0.00 -0.40 0.00 0.00 41.96 39.48 3pcb s TYR 408 CO 0.02 0.25 1.48 -2.13 -1.57 0.00 0.00 175.55 173.60 3pcb n ARG 409 N -0.42 3.65 -3.69 -0.62 0.63 -1.26 -4.81 116.66 110.15 3pcb n ARG 409 Ca -0.01 -4.03 -0.14 0.00 -0.92 0.00 0.00 57.85 52.76 3pcb n ARG 409 Cb 0.53 -2.81 -0.09 0.00 0.45 0.00 0.00 32.46 30.54 3pcb n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pcb s HIS 410 N -0.09 -0.55 0.16 -0.14 2.46 -1.26 -5.08 115.29 110.78 3pcb s HIS 410 Ca 0.37 1.31 -0.24 0.00 0.47 0.00 0.00 55.06 56.97 3pcb s HIS 410 Cb -0.00 0.20 0.02 0.00 -0.13 0.00 0.00 32.58 32.67 3pcb s HIS 410 CO 0.00 -0.30 1.38 1.63 -2.47 0.00 0.00 174.74 174.97 3pcb n LYS 411 N 2.58 -0.34 0.00 2.88 5.02 -1.26 -1.10 118.16 125.94 3pcb n LYS 411 Ca -0.14 1.35 0.10 0.00 -2.02 0.00 0.00 58.31 57.60 3pcb n LYS 411 Cb 0.56 -2.00 0.49 0.00 -0.02 0.00 0.00 35.03 34.07 3pcb n LYS 411 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3pcb n ASN 412 N -5.17 0.00 -4.47 4.39 5.03 -1.26 -4.65 115.26 109.12 3pcb n ASN 412 Ca 0.04 0.02 -0.43 0.00 0.87 0.00 0.00 54.58 55.08 3pcb n ASN 412 Cb 0.27 -0.29 -0.04 0.00 -1.02 0.00 0.00 39.78 38.69 3pcb n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pcb s ASP 413 N -2.58 6.25 -0.28 6.41 2.15 -0.26 -4.87 116.67 123.48 3pcb s ASP 413 Ca 0.18 -0.76 0.11 0.00 0.43 0.00 0.00 52.55 52.51 3pcb s ASP 413 Cb 0.13 -2.39 0.58 0.00 -0.30 0.00 0.00 42.92 40.94 3pcb s ASP 413 CO 0.30 -1.23 1.57 0.54 -0.17 0.00 0.00 175.17 176.19 3pcb n ARG 414 N 7.21 2.57 -2.28 4.34 5.12 -1.26 -4.89 116.66 127.47 3pcb n ARG 414 Ca -0.03 -3.05 -0.40 0.00 -1.93 0.00 0.00 57.85 52.45 3pcb n ARG 414 Cb 0.46 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 3pcb n ARG 414 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3pcb s TYR 415 N -3.08 3.24 -0.58 -1.55 5.04 -1.26 -4.91 117.35 114.23 3pcb s TYR 415 Ca 0.47 1.55 0.19 0.00 -2.44 0.00 0.00 57.07 56.84 3pcb s TYR 415 Cb 0.40 -3.48 0.85 0.00 0.35 0.00 0.00 41.96 40.09 3pcb s TYR 415 CO 0.06 -1.28 1.59 1.47 -1.34 0.00 0.00 175.55 176.05 3pcb n LEU 416 N 0.77 0.45 -4.76 6.97 -0.00 -1.26 -4.71 117.00 114.45 3pcb n LEU 416 Ca 0.01 0.63 -0.40 0.00 -0.00 0.00 0.00 56.01 56.24 3pcb n LEU 416 Cb 0.44 -0.60 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 3pcb n LEU 416 CO 0.55 -0.56 0.88 0.00 -0.00 0.00 0.00 177.39 178.26 3pcb s ALA 417 N -3.27 3.45 0.81 1.47 0.00 -1.26 -4.97 121.76 117.99 3pcb s ALA 417 Ca 0.03 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3pcb s ALA 417 Cb 0.08 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.88 3pcb s ALA 417 CO 0.29 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 3pcb s PRO 418 N -1.55 1.97 0.51 0.00 0.04 -1.26 -4.74 135.00 129.96 3pcb s PRO 418 Ca 0.47 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 3pcb s PRO 418 Cb -0.36 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 3pcb s PRO 418 CO 0.46 -1.75 0.95 -0.51 0.04 0.00 0.00 177.00 176.19 3pcb s LEU 419 N -5.92 3.61 -0.27 -3.56 1.43 -1.26 -4.74 118.68 107.98 3pcb s LEU 419 Ca 0.61 1.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.10 3pcb s LEU 419 Cb -0.16 -4.39 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 3pcb s LEU 419 CO 0.56 -0.59 0.04 -0.62 0.23 0.00 0.00 176.35 175.97 3pcb s ASP 420 N -3.27 4.91 0.64 2.29 -1.08 -1.26 -4.99 116.67 113.92 3pcb s ASP 420 Ca 0.57 -0.56 0.38 0.00 -0.52 0.00 0.00 52.55 52.42 3pcb s ASP 420 Cb -0.10 -1.85 2.15 0.00 -1.46 0.00 0.00 42.92 41.66 3pcb s ASP 420 CO 0.35 -0.12 2.28 1.55 0.52 0.00 0.00 175.17 179.75 3pcb h PRO 421 N 8.20 0.00 -0.66 4.34 0.13 -1.97 -0.93 132.00 141.11 3pcb h PRO 421 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3pcb h PRO 421 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3pcb h PRO 421 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3pcb n ASN 422 N -3.32 4.10 -4.07 1.44 4.13 -1.26 -4.94 115.26 111.33 3pcb n ASN 422 Ca -0.03 -2.15 -0.26 0.00 1.68 0.00 0.00 54.58 53.83 3pcb n ASN 422 Cb 0.12 -0.49 -0.16 0.00 -1.54 0.00 0.00 39.78 37.71 3pcb n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pcb s PHE 423 N -1.28 1.63 -0.16 3.10 5.36 -0.35 -4.28 117.98 122.01 3pcb s PHE 423 Ca 0.47 -0.58 -0.14 0.00 -0.96 0.00 0.00 56.93 55.73 3pcb s PHE 423 Cb 0.27 -1.15 -0.06 0.00 -0.34 0.00 0.00 43.02 41.73 3pcb s PHE 423 CO 0.29 -0.26 -0.29 0.41 -1.46 0.00 0.00 175.22 173.91 3pcb n GLY 424 N 3.59 -0.42 0.00 13.12 0.00 -1.26 -4.68 105.19 115.54 3pcb n GLY 424 Ca -0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3pcb n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcb n GLY 425 N 1.77 1.85 2.92 -0.02 0.00 -1.26 -4.52 105.19 105.92 3pcb n GLY 425 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3pcb n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcb s VAL 426 N -2.00 0.17 0.13 1.61 1.01 -1.26 -1.56 120.40 118.50 3pcb s VAL 426 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3pcb s VAL 426 Cb 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.24 3pcb s VAL 426 CO 0.00 -0.04 0.41 -0.83 0.00 0.00 0.00 175.10 174.64 3pcb s GLY 427 N -0.28 -0.24 -0.04 4.51 0.00 -0.50 -4.74 107.32 106.03 3pcb s GLY 427 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 3pcb s GLY 427 CO -0.00 -0.32 0.33 1.09 0.00 0.00 0.00 173.10 174.20 3pcb s ARG 428 N -3.82 0.62 -0.14 2.90 1.70 -1.11 -1.33 118.95 117.78 3pcb s ARG 428 Ca 0.04 -0.03 -0.17 0.00 -0.47 0.00 0.00 55.73 55.10 3pcb s ARG 428 Cb 0.02 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.72 3pcb s ARG 428 CO -0.11 -0.16 0.45 0.00 -1.08 0.00 0.00 175.30 174.40 3pcb s LEU 430 N -0.12 3.94 0.65 0.00 2.96 -1.26 -1.48 118.68 123.37 3pcb s LEU 430 Ca -0.03 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 3pcb s LEU 430 Cb -0.03 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3pcb s LEU 430 CO 0.02 0.13 1.28 0.42 -1.32 0.00 0.00 176.35 176.87 3pcb s THR 431 N 0.65 2.11 0.36 3.68 -4.23 0.47 -4.84 115.64 113.85 3pcb s THR 431 Ca 0.05 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3pcb s THR 431 Cb -0.13 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.81 3pcb s THR 431 CO 0.01 -0.02 0.49 -0.90 -0.54 0.00 0.00 174.62 173.67 3pcb n ASP 432 N -1.98 0.28 0.30 3.99 5.68 -0.67 -1.85 116.55 122.29 3pcb n ASP 432 Ca 0.15 -1.33 0.19 0.00 -0.50 0.00 0.00 54.79 53.31 3pcb n ASP 432 Cb 0.48 -0.35 1.02 0.00 -1.14 0.00 0.00 41.12 41.13 3pcb n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pcb h SER 433 N -0.51 0.00 -0.24 -1.12 0.02 -1.94 -0.49 113.55 109.27 3pcb h SER 433 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3pcb h SER 433 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3pcb h SER 433 CO 0.14 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.30 3pcb n ASP 434 N -2.85 3.17 0.00 3.07 8.00 -1.26 -4.61 116.55 122.06 3pcb n ASP 434 Ca -0.02 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3pcb n ASP 434 Cb 0.10 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3pcb n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcb n GLY 435 N 1.34 0.50 3.82 0.44 0.00 -0.20 -4.71 105.19 106.39 3pcb n GLY 435 Ca 0.16 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3pcb n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pcb s TYR 436 N -2.00 3.77 0.08 1.61 2.02 -1.26 0.20 117.35 121.78 3pcb s TYR 436 Ca 0.00 1.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.89 3pcb s TYR 436 Cb 0.00 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 3pcb s TYR 436 CO 0.00 0.59 -0.05 1.52 -1.57 0.00 0.00 175.55 176.04 3pcb s TYR 437 N -1.13 0.74 -0.07 2.71 -0.85 -0.80 -1.67 117.35 116.28 3pcb s TYR 437 Ca 0.28 -0.98 -0.23 0.00 -0.52 0.00 0.00 57.07 55.62 3pcb s TYR 437 Cb -0.18 -0.46 0.05 0.00 0.38 0.00 0.00 41.96 41.74 3pcb s TYR 437 CO 0.18 -0.25 0.53 -1.54 -1.52 0.00 0.00 175.55 172.95 3pcb s SER 438 N -2.99 -0.48 0.16 -0.18 1.04 -1.26 -2.54 113.70 107.45 3pcb s SER 438 Ca 0.10 0.57 0.05 0.00 0.48 0.00 0.00 55.95 57.15 3pcb s SER 438 Cb 0.06 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 3pcb s SER 438 CO -0.07 -0.48 -0.11 -0.36 0.98 0.00 0.00 173.24 173.20 3pcb s PHE 439 N -0.98 1.38 -0.15 5.02 0.08 0.15 -4.88 117.98 118.60 3pcb s PHE 439 Ca -0.10 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.24 3pcb s PHE 439 Cb -0.03 -0.68 0.04 0.00 -0.57 0.00 0.00 43.02 41.78 3pcb s PHE 439 CO 0.06 0.15 -0.05 0.50 -0.10 0.00 0.00 175.22 175.79 3pcb s ARG 440 N -3.70 1.38 0.00 0.44 3.52 -0.79 -1.42 118.95 118.39 3pcb s ARG 440 Ca 0.18 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 3pcb s ARG 440 Cb 0.02 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 3pcb s ARG 440 CO 0.02 -0.40 0.00 -2.37 -0.81 0.00 0.00 175.30 171.74 3pcb n THR 441 N 4.91 0.00 -4.80 4.11 5.66 0.33 -0.70 114.28 123.79 3pcb n THR 441 Ca -0.12 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.58 3pcb n THR 441 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.12 3pcb n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pcb s ILE 442 N -1.90 2.18 0.00 1.09 -4.36 -1.26 -1.13 121.20 115.82 3pcb s ILE 442 Ca 0.00 -1.47 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 3pcb s ILE 442 Cb 0.00 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.78 3pcb s ILE 442 CO 0.00 0.31 1.41 -0.75 0.24 0.00 0.00 174.94 176.15 3pcb s LYS 443 N -1.42 4.28 0.69 0.37 2.20 0.05 -4.91 119.74 121.00 3pcb s LYS 443 Ca 0.12 1.97 -0.12 0.00 -0.36 0.00 0.00 55.97 57.58 3pcb s LYS 443 Cb -0.10 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3pcb s LYS 443 CO 0.03 -0.58 1.07 -1.25 -0.36 0.00 0.00 175.35 174.26 3pcb s PRO 444 N 2.41 2.83 0.19 4.03 0.04 -1.26 -4.25 135.00 138.98 3pcb s PRO 444 Ca 0.64 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3pcb s PRO 444 Cb -0.32 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3pcb s PRO 444 CO 0.27 -1.20 0.38 0.20 0.04 0.00 0.00 177.00 176.69 3pcb s GLY 445 N -3.33 1.89 0.96 0.56 0.00 -0.76 -4.65 107.32 101.99 3pcb s GLY 445 Ca 0.61 -0.78 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 3pcb s GLY 445 CO 0.50 -0.73 1.09 2.56 0.00 0.00 0.00 173.10 176.52 3pcb s PRO 446 N -3.18 0.72 -0.04 2.90 0.04 -1.26 -4.01 135.00 130.17 3pcb s PRO 446 Ca 0.39 0.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 3pcb s PRO 446 Cb -0.11 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.73 3pcb s PRO 446 CO 0.28 -2.64 0.42 1.52 0.04 0.00 0.00 177.00 176.62 3pcb s TYR 447 N -2.79 -0.35 0.46 0.56 -0.85 -1.09 -4.19 117.35 109.11 3pcb s TYR 447 Ca 0.65 0.61 -0.17 0.00 -0.52 0.00 0.00 57.07 57.65 3pcb s TYR 447 Cb -0.20 0.19 -0.08 0.00 0.38 0.00 0.00 41.96 42.24 3pcb s TYR 447 CO 0.59 -0.43 0.92 -1.25 -1.52 0.00 0.00 175.55 173.86 3pcb s PRO 448 N -1.09 4.00 0.05 -3.49 0.04 -1.26 0.55 135.00 133.80 3pcb s PRO 448 Ca -0.11 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 3pcb s PRO 448 Cb -0.04 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3pcb s PRO 448 CO 0.05 -0.14 0.22 1.67 0.04 0.00 0.00 177.00 178.85 3pcb s TRP 449 N -2.43 0.03 -1.26 0.56 1.48 -1.05 -4.89 118.94 111.39 3pcb s TRP 449 Ca 0.58 -0.28 -0.18 0.00 -1.06 0.00 0.00 56.10 55.16 3pcb s TRP 449 Cb -0.10 0.00 0.08 0.00 -1.16 0.00 0.00 33.47 32.30 3pcb s TRP 449 CO 0.26 -0.48 1.67 1.03 -4.06 0.00 0.00 176.95 175.37 3pcb s ARG 450 N -2.87 3.97 0.00 3.25 0.52 -1.26 -4.39 118.95 118.17 3pcb s ARG 450 Ca -0.03 -2.02 0.00 0.00 -0.52 0.00 0.00 55.73 53.16 3pcb s ARG 450 Cb 0.00 -5.45 0.00 0.00 0.52 0.00 0.00 34.95 30.02 3pcb s ARG 450 CO -0.06 -2.18 0.00 -1.71 0.02 0.00 0.00 175.30 171.37 3pcb n ASN 451 N 8.03 0.00 -4.75 0.23 5.15 -1.26 -5.04 115.26 117.61 3pcb n ASN 451 Ca 0.46 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 54.19 3pcb n ASN 451 Cb 0.46 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.80 3pcb n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pcb s GLY 452 N -0.74 1.75 0.56 8.20 0.00 -1.26 -4.97 107.32 110.86 3pcb s GLY 452 Ca 0.00 -1.32 0.25 0.00 0.00 0.00 0.00 44.72 43.65 3pcb s GLY 452 CO 0.00 -0.84 2.20 -2.55 0.00 0.00 0.00 173.10 171.91 3pcb h PRO 453 N -0.57 0.00 -1.59 2.90 0.11 -1.97 -3.28 132.00 127.60 3pcb h PRO 453 Ca -0.41 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.25 3pcb h PRO 453 Cb 1.29 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 3pcb h PRO 453 CO 0.49 0.02 -1.11 -1.71 -0.21 0.00 0.00 178.00 175.48 3pcb n ASN 454 N -4.05 1.70 -4.79 -2.05 5.15 -1.26 -5.08 115.26 104.87 3pcb n ASN 454 Ca -0.03 -3.01 -0.38 0.00 -0.60 0.00 0.00 54.58 50.56 3pcb n ASN 454 Cb 0.11 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 3pcb n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pcb s ASP 455 N -2.89 6.84 -0.05 1.20 1.01 -1.24 -5.07 116.67 116.48 3pcb s ASP 455 Ca 0.36 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.63 3pcb s ASP 455 Cb 0.39 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 42.05 3pcb s ASP 455 CO -0.05 0.21 -0.06 0.26 0.21 0.00 0.00 175.17 175.75 3pcb s TRP 456 N -0.57 0.88 0.27 4.23 0.52 -1.26 -2.51 118.94 120.49 3pcb s TRP 456 Ca 0.26 -0.27 -0.29 0.00 0.02 0.00 0.00 56.10 55.82 3pcb s TRP 456 Cb -0.17 -0.74 -0.09 0.00 -1.15 0.00 0.00 33.47 31.32 3pcb s TRP 456 CO 0.14 -0.21 0.98 1.03 0.02 0.00 0.00 176.95 178.91 3pcb s ARG 457 N 0.88 4.74 0.69 4.98 1.81 0.19 -4.76 118.95 127.48 3pcb s ARG 457 Ca -0.12 1.54 -0.15 0.00 -1.72 0.00 0.00 55.73 55.29 3pcb s ARG 457 Cb -0.15 -3.17 0.01 0.00 -0.45 0.00 0.00 34.95 31.20 3pcb s ARG 457 CO 0.01 0.39 1.15 -2.14 -0.68 0.00 0.00 175.30 174.03 3pcb s PRO 458 N -1.41 2.54 0.34 3.54 0.02 -1.26 -2.66 135.00 136.11 3pcb s PRO 458 Ca 0.44 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.72 3pcb s PRO 458 Cb -0.26 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.23 3pcb s PRO 458 CO 0.33 -1.48 1.38 0.00 -0.33 0.00 0.00 177.00 176.90 3pcb n ALA 459 N -2.51 1.69 -3.48 -1.55 0.00 -1.26 -4.75 120.51 108.65 3pcb n ALA 459 Ca 0.12 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 3pcb n ALA 459 Cb 0.51 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3pcb n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pcb s HIS 460 N -0.96 -0.43 -0.09 0.00 -3.43 -1.26 -4.10 115.29 105.03 3pcb s HIS 460 Ca 0.56 0.24 0.03 0.00 -0.80 0.00 0.00 55.06 55.09 3pcb s HIS 460 Cb -0.54 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.17 3pcb s HIS 460 CO 0.61 -0.73 -0.18 0.42 -2.00 0.00 0.00 174.74 172.86 3pcb s ILE 461 N -3.46 1.61 0.14 -5.38 1.01 -0.72 -4.63 121.20 109.77 3pcb s ILE 461 Ca 0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 3pcb s ILE 461 Cb -0.01 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 3pcb s ILE 461 CO -0.10 0.46 0.95 -1.00 0.00 0.00 0.00 174.94 175.25 3pcb s HIS 462 N 0.58 3.85 0.06 3.97 3.76 0.38 -0.98 115.29 126.91 3pcb s HIS 462 Ca -0.15 1.82 0.06 0.00 -0.15 0.00 0.00 55.06 56.64 3pcb s HIS 462 Cb -0.17 -3.03 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 3pcb s HIS 462 CO 0.05 0.27 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.98 3pcb s PHE 463 N -0.30 1.54 -0.03 1.40 0.40 0.15 -1.95 117.98 119.20 3pcb s PHE 463 Ca 0.45 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3pcb s PHE 463 Cb -0.24 -0.90 0.03 0.00 0.51 0.00 0.00 43.02 42.42 3pcb s PHE 463 CO 0.30 0.09 0.03 0.20 0.70 0.00 0.00 175.22 176.54 3pcb s GLY 464 N -1.36 0.17 -0.06 4.36 0.00 -0.33 -0.20 107.32 109.90 3pcb s GLY 464 Ca 0.04 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.01 3pcb s GLY 464 CO 0.02 0.92 -0.10 -0.42 0.00 0.00 0.00 173.10 173.52 3pcb s ILE 465 N 1.45 0.94 -0.05 0.90 1.09 0.49 -1.06 121.20 124.96 3pcb s ILE 465 Ca -0.04 -0.36 -0.13 0.00 -1.10 0.00 0.00 60.65 59.02 3pcb s ILE 465 Cb -0.13 -0.89 -0.07 0.00 -1.06 0.00 0.00 42.46 40.31 3pcb s ILE 465 CO -0.03 0.31 0.53 0.77 -0.10 0.00 0.00 174.94 176.42 3pcb h SER 466 N 7.06 -0.39 -4.07 3.58 4.64 -1.58 0.02 113.55 122.82 3pcb h SER 466 Ca -0.33 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3pcb h SER 466 Cb 1.18 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3pcb h SER 466 CO 0.47 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 3pcb n GLY 467 N 0.62 -2.16 0.11 -0.77 0.00 -1.26 -2.28 105.19 99.45 3pcb n GLY 467 Ca -0.06 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3pcb n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pcb n PRO 468 N -0.21 0.27 -3.98 1.61 -0.04 -1.26 -4.87 135.00 126.51 3pcb n PRO 468 Ca 0.00 0.23 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 3pcb n PRO 468 Cb 0.00 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 3pcb n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pcb s SER 469 N -4.55 0.01 0.26 3.54 1.04 -1.26 -3.41 113.70 109.32 3pcb s SER 469 Ca 0.10 -0.97 0.24 0.00 0.48 0.00 0.00 55.95 55.80 3pcb s SER 469 Cb 0.12 0.63 0.96 0.00 0.10 0.00 0.00 66.02 67.83 3pcb s SER 469 CO 0.59 -1.22 1.72 2.30 0.98 0.00 0.00 173.24 177.62 3pcb n ILE 470 N -0.42 0.79 0.18 -1.02 -5.35 -0.79 -2.12 119.36 110.64 3pcb n ILE 470 Ca -0.02 0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.68 3pcb n ILE 470 Cb 0.61 -1.08 0.29 0.00 -1.74 0.00 0.00 39.64 37.72 3pcb n ILE 470 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pcb h ALA 471 N 2.30 0.92 0.00 -1.28 0.00 -1.80 -3.22 119.26 116.18 3pcb h ALA 471 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3pcb h ALA 471 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3pcb h ALA 471 CO 0.00 0.46 -1.66 0.25 0.00 0.00 0.00 179.25 178.29 3pcb n THR 472 N -3.41 0.44 -1.56 0.00 -2.24 -0.90 -4.93 114.28 101.68 3pcb n THR 472 Ca 0.00 -0.57 -0.48 0.00 -2.27 0.00 0.00 64.05 60.74 3pcb n THR 472 Cb 0.55 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3pcb n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pcb n LYS 473 N -2.50 1.06 -3.87 -0.78 3.00 -0.97 -4.74 118.16 109.36 3pcb n LYS 473 Ca -0.06 0.37 -0.11 0.00 -0.00 0.00 0.00 58.31 58.51 3pcb n LYS 473 Cb 0.64 -1.77 -0.12 0.00 0.00 0.00 0.00 35.03 33.79 3pcb n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pcb s LEU 474 N 0.84 1.64 -0.08 3.14 2.96 -0.01 -5.01 118.68 122.17 3pcb s LEU 474 Ca 0.68 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 3pcb s LEU 474 Cb -0.82 0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.32 3pcb s LEU 474 CO 0.55 -0.19 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.52 3pcb s ILE 475 N -0.67 1.99 0.12 6.68 1.01 -1.26 -0.38 121.20 128.69 3pcb s ILE 475 Ca -0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 3pcb s ILE 475 Cb -0.05 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3pcb s ILE 475 CO 0.01 0.55 0.19 1.07 0.00 0.00 0.00 174.94 176.75 3pcb n THR 476 N 3.31 0.00 -4.19 2.92 5.66 0.72 -4.99 114.28 117.70 3pcb n THR 476 Ca -0.19 -0.53 -0.16 0.00 -3.05 0.00 0.00 64.05 60.12 3pcb n THR 476 Cb 0.53 0.36 -0.13 0.00 -1.55 0.00 0.00 70.33 69.53 3pcb n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pcb s GLN 477 N -2.21 0.59 -0.17 1.09 -0.21 -1.26 -0.67 119.66 116.82 3pcb s GLN 477 Ca 0.09 -0.49 -0.06 0.00 0.02 0.00 0.00 55.36 54.91 3pcb s GLN 477 Cb -0.01 -0.51 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 3pcb s GLN 477 CO 0.06 0.13 0.04 -1.17 -2.12 0.00 0.00 175.29 172.22 3pcb s LEU 478 N -0.79 3.69 0.38 2.90 0.20 -0.16 -4.84 118.68 120.06 3pcb s LEU 478 Ca -0.02 0.05 0.08 0.00 0.69 0.00 0.00 54.13 54.93 3pcb s LEU 478 Cb -0.06 -1.91 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 3pcb s LEU 478 CO 0.00 0.20 0.16 -0.31 -0.29 0.00 0.00 176.35 176.11 3pcb s TYR 479 N 0.22 2.64 -0.15 5.38 2.02 0.30 -1.76 117.35 126.01 3pcb s TYR 479 Ca 0.03 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 3pcb s TYR 479 Cb -0.13 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3pcb s TYR 479 CO 0.01 0.26 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.14 3pcb s PHE 480 N -2.52 3.01 -0.34 2.71 0.40 -1.26 -0.64 117.98 119.34 3pcb s PHE 480 Ca 0.40 -0.29 -0.45 0.00 -0.60 0.00 0.00 56.93 55.99 3pcb s PHE 480 Cb 0.01 -1.94 -0.20 0.00 0.51 0.00 0.00 43.02 41.40 3pcb s PHE 480 CO 0.22 -0.02 1.45 -1.91 0.70 0.00 0.00 175.22 175.67 3pcb n GLU 481 N 3.43 0.05 -0.52 0.44 2.13 -0.62 -1.48 120.64 124.08 3pcb n GLU 481 Ca -0.17 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.66 3pcb n GLU 481 Cb 0.53 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3pcb n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcb n GLY 482 N 3.28 1.44 3.65 8.31 0.00 -1.26 -4.98 105.19 115.63 3pcb n GLY 482 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3pcb n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pcb s ASP 483 N -3.22 6.24 0.46 1.61 -1.08 -0.55 -4.86 116.67 115.28 3pcb s ASP 483 Ca 0.00 2.50 0.32 0.00 -0.52 0.00 0.00 52.55 54.84 3pcb s ASP 483 Cb 0.00 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.50 3pcb s ASP 483 CO 0.00 -1.25 1.96 1.55 0.52 0.00 0.00 175.17 177.95 3pcb h PRO 484 N 11.52 0.00 0.00 4.34 0.13 -1.95 -2.52 132.00 143.53 3pcb h PRO 484 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3pcb h PRO 484 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3pcb h PRO 484 CO 0.95 0.00 -0.56 -0.07 -0.23 0.00 0.00 178.00 178.08 3pcb h LEU 485 N 0.00 0.00 -0.82 1.56 3.38 -1.96 -3.38 115.31 114.09 3pcb h LEU 485 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3pcb h LEU 485 Cb 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 3pcb h LEU 485 CO 0.00 0.56 -0.51 0.40 0.09 0.00 0.00 178.44 178.98 3pcb h ILE 486 N 0.00 0.02 0.00 1.22 2.04 -1.83 -0.38 117.51 118.57 3pcb h ILE 486 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3pcb h ILE 486 Cb 1.31 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3pcb h ILE 486 CO 0.07 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.57 3pcb n PRO 487 N -5.35 0.07 0.00 2.37 -0.02 -1.26 -2.57 135.00 128.24 3pcb n PRO 487 Ca 0.03 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3pcb n PRO 487 Cb 0.32 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 3pcb n PRO 487 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcb n MET 488 N -1.79 0.62 -2.53 -0.52 2.81 -0.17 -4.95 117.12 110.58 3pcb n MET 488 Ca 0.02 -0.14 -0.42 0.00 -1.81 0.00 0.00 57.70 55.34 3pcb n MET 488 Cb 0.12 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3pcb n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pcb h PRO 490 N 7.35 0.00 -0.17 0.00 0.11 -1.91 0.11 132.00 137.50 3pcb h PRO 490 Ca -0.33 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 3pcb h PRO 490 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3pcb h PRO 490 CO 0.88 0.33 -0.22 0.82 -0.21 0.00 0.00 178.00 179.59 3pcb h ILE 491 N 0.00 1.34 -0.04 4.15 2.04 -1.92 -2.64 117.51 120.44 3pcb h ILE 491 Ca -0.00 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.46 3pcb h ILE 491 Cb 0.68 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3pcb h ILE 491 CO 0.04 0.43 -0.11 0.58 0.00 0.00 0.00 178.15 179.09 3pcb h VAL 492 N 0.10 0.71 0.00 1.67 2.07 -1.77 -1.54 116.25 117.48 3pcb h VAL 492 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3pcb h VAL 492 Cb 0.78 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3pcb h VAL 492 CO 0.05 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.93 3pcb n LYS 493 N -5.24 0.21 0.29 1.57 5.02 0.34 -1.59 118.16 118.76 3pcb n LYS 493 Ca -0.05 0.03 0.18 0.00 -2.02 0.00 0.00 58.31 56.45 3pcb n LYS 493 Cb 0.17 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.44 3pcb n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pcb h SER 494 N 0.00 0.00 -3.60 4.39 4.64 -0.90 -3.37 113.55 114.71 3pcb h SER 494 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3pcb h SER 494 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 3pcb h SER 494 CO 0.00 0.01 0.34 -0.63 -0.87 0.00 0.00 176.83 175.68 3pcb s ILE 495 N -3.76 4.68 0.27 0.95 1.01 -0.62 -3.70 121.20 120.03 3pcb s ILE 495 Ca -0.00 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.21 3pcb s ILE 495 Cb 0.10 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.32 3pcb s ILE 495 CO 0.53 -0.63 1.68 0.00 0.00 0.00 0.00 174.94 176.51 3pcb h ALA 496 N 8.85 1.04 -2.60 9.38 0.00 -1.85 -3.44 119.26 130.64 3pcb h ALA 496 Ca -0.25 -0.41 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 3pcb h ALA 496 Cb 1.09 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 3pcb h ALA 496 CO 0.94 0.60 -0.05 1.21 0.00 0.00 0.00 179.25 181.95 3pcb s ASN 497 N -6.86 6.40 0.52 0.00 3.04 -1.26 -4.95 114.94 111.82 3pcb s ASN 497 Ca -0.06 0.45 0.24 0.00 0.04 0.00 0.00 52.86 53.54 3pcb s ASN 497 Cb 0.13 -2.27 1.35 0.00 -1.54 0.00 0.00 41.25 38.92 3pcb s ASN 497 CO 0.79 -0.28 1.98 -0.65 -3.04 0.00 0.00 177.10 175.90 3pcb h PRO 498 N 8.07 0.06 -0.31 0.43 0.11 -2.00 0.11 132.00 138.47 3pcb h PRO 498 Ca -0.29 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 3pcb h PRO 498 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3pcb h PRO 498 CO 0.71 0.04 -0.26 0.93 -0.21 0.00 0.00 178.00 179.20 3pcb h GLU 499 N 0.06 0.61 -0.50 1.05 5.08 -1.98 -2.87 114.58 116.04 3pcb h GLU 499 Ca 0.27 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3pcb h GLU 499 Cb 1.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3pcb h GLU 499 CO -0.02 0.81 -0.15 0.00 -1.00 0.00 0.00 179.01 178.66 3pcb h ALA 500 N 1.18 0.79 -0.65 3.43 0.00 -1.13 -3.05 119.26 119.83 3pcb h ALA 500 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3pcb h ALA 500 Cb 0.73 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3pcb h ALA 500 CO 0.06 0.66 0.40 0.28 0.00 0.00 0.00 179.25 180.65 3pcb h VAL 501 N 0.85 1.08 -0.92 0.00 2.07 -1.29 -2.40 116.25 115.64 3pcb h VAL 501 Ca 0.13 -0.27 0.20 0.00 0.82 0.00 0.00 66.70 67.57 3pcb h VAL 501 Cb 0.70 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3pcb h VAL 501 CO 0.05 0.14 0.60 1.56 0.02 0.00 0.00 177.57 179.95 3pcb h GLN 502 N 0.79 0.46 0.00 1.57 1.08 -1.40 0.11 115.11 117.72 3pcb h GLN 502 Ca 0.26 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3pcb h GLN 502 Cb 0.02 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3pcb h GLN 502 CO -0.11 0.31 0.00 1.96 -0.95 0.00 0.00 178.83 180.04 3pcb h GLN 503 N 0.48 0.00 -0.07 1.46 4.20 -1.45 -2.67 115.11 117.06 3pcb h GLN 503 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 3pcb h GLN 503 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3pcb h GLN 503 CO -0.21 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.23 3pcb n LEU 504 N -2.76 2.31 -4.50 1.46 4.77 0.39 -4.90 117.00 113.76 3pcb n LEU 504 Ca -0.00 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 3pcb n LEU 504 Cb 0.18 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3pcb n LEU 504 CO 0.21 0.40 -0.02 -0.63 -1.33 0.00 0.00 177.39 176.02 3pcb s ILE 505 N -1.94 5.21 0.24 -0.08 1.01 -1.01 -0.54 121.20 124.09 3pcb s ILE 505 Ca 0.33 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3pcb s ILE 505 Cb 0.20 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3pcb s ILE 505 CO 0.31 -0.21 1.18 0.00 0.00 0.00 0.00 174.94 176.22 3pcb s ALA 506 N 1.87 3.44 -0.14 9.38 0.00 0.19 -4.85 121.76 131.66 3pcb s ALA 506 Ca 0.08 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.96 3pcb s ALA 506 Cb -0.18 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3pcb s ALA 506 CO 0.11 -0.34 0.11 0.15 0.00 0.00 0.00 175.76 175.79 3pcb s LYS 507 N -0.86 3.56 0.22 0.00 -0.14 -0.84 -1.58 119.74 120.09 3pcb s LYS 507 Ca 0.50 -0.21 -0.32 0.00 -1.36 0.00 0.00 55.97 54.57 3pcb s LYS 507 Cb -0.34 -3.17 -0.13 0.00 -1.68 0.00 0.00 37.83 32.51 3pcb s LYS 507 CO 0.40 0.63 1.48 -0.11 -0.76 0.00 0.00 175.35 176.99 3pcb n LEU 508 N 2.45 3.28 -3.69 3.17 7.94 -1.26 -0.36 117.00 128.52 3pcb n LEU 508 Ca -0.19 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.55 3pcb n LEU 508 Cb 0.54 -1.45 -0.12 0.00 0.53 0.00 0.00 43.42 42.91 3pcb n LEU 508 CO 0.32 -0.34 -0.23 -0.62 -1.11 0.00 0.00 177.39 175.41 3pcb s ASP 509 N 0.50 3.51 0.43 1.96 2.15 0.25 -4.80 116.67 120.68 3pcb s ASP 509 Ca 0.71 -2.84 0.10 0.00 0.43 0.00 0.00 52.55 50.94 3pcb s ASP 509 Cb -0.63 -1.03 0.96 0.00 -0.30 0.00 0.00 42.92 41.92 3pcb s ASP 509 CO 0.46 -0.23 2.07 0.24 -0.17 0.00 0.00 175.17 177.54 3pcb h MET 510 N 6.41 0.42 -0.43 4.34 2.86 -1.93 -2.05 114.93 124.55 3pcb h MET 510 Ca 0.05 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3pcb h MET 510 Cb 0.90 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 3pcb h MET 510 CO 0.50 0.28 0.25 -0.91 1.06 0.00 0.00 176.91 178.08 3pcb h ASN 511 N 0.43 0.51 0.30 1.22 2.35 -1.95 -2.97 115.58 115.47 3pcb h ASN 511 Ca 0.14 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3pcb h ASN 511 Cb 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3pcb h ASN 511 CO -0.03 0.41 -0.40 -3.20 -1.65 0.00 0.00 177.43 172.55 3pcb n ASN 512 N -4.44 0.91 -4.78 5.81 5.15 -0.78 -4.97 115.26 112.17 3pcb n ASN 512 Ca 0.03 -0.72 -0.34 0.00 -0.60 0.00 0.00 54.58 52.96 3pcb n ASN 512 Cb 0.09 0.25 0.02 0.00 -0.53 0.00 0.00 39.78 39.61 3pcb n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pcb s ALA 513 N -2.70 2.61 -0.41 5.20 0.00 -1.13 -4.79 121.76 120.54 3pcb s ALA 513 Ca 0.18 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 3pcb s ALA 513 Cb 0.18 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 20.03 3pcb s ALA 513 CO 0.61 -0.99 0.29 -0.80 0.00 0.00 0.00 175.76 174.87 3pcb s ASN 514 N -2.34 5.97 0.41 0.00 0.01 -0.08 -4.99 114.94 113.91 3pcb s ASN 514 Ca 0.68 -1.05 -0.24 0.00 -0.71 0.00 0.00 52.86 51.54 3pcb s ASN 514 Cb -0.20 -2.11 -0.11 0.00 0.41 0.00 0.00 41.25 39.23 3pcb s ASN 514 CO 0.35 -0.47 0.86 -2.65 -1.51 0.00 0.00 177.10 173.68 3pcb n PRO 515 N 5.10 1.07 -1.54 -0.60 -0.02 -1.26 -1.08 135.00 136.67 3pcb n PRO 515 Ca -0.11 0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 3pcb n PRO 515 Cb 0.46 -1.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 3pcb n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcb n MET 516 N 0.32 -1.48 0.01 -0.52 2.81 -1.26 -4.72 117.12 112.28 3pcb n MET 516 Ca 0.10 1.13 0.00 0.00 -1.81 0.00 0.00 57.70 57.13 3pcb n MET 516 Cb 0.38 -5.51 0.00 0.00 -0.71 0.00 0.00 33.22 27.39 3pcb n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pcb n ASP 517 N -1.25 -0.01 -3.82 7.83 2.03 -0.24 -5.16 116.55 115.94 3pcb n ASP 517 Ca -0.19 0.03 -0.11 0.00 0.52 0.00 0.00 54.79 55.04 3pcb n ASP 517 Cb 0.65 0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.99 3pcb n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pcb s LEU 519 N -2.09 2.92 -0.01 0.00 1.43 -0.75 -0.90 118.68 119.28 3pcb s LEU 519 Ca -0.05 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3pcb s LEU 519 Cb -0.01 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 3pcb s LEU 519 CO -0.04 -1.93 0.09 0.00 0.23 0.00 0.00 176.35 174.70 3pcb s ALA 520 N -3.28 -0.20 -0.04 4.21 0.00 -1.26 -0.56 121.76 120.64 3pcb s ALA 520 Ca 0.66 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.58 3pcb s ALA 520 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3pcb s ALA 520 CO 0.46 -0.14 -0.18 0.71 0.00 0.00 0.00 175.76 176.60 3pcb s TYR 521 N -0.90 1.76 -0.20 0.00 1.51 0.23 0.88 117.35 120.64 3pcb s TYR 521 Ca -0.10 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.42 3pcb s TYR 521 Cb -0.06 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 3pcb s TYR 521 CO 0.00 -0.14 0.07 0.50 -1.11 0.00 0.00 175.55 174.88 3pcb s ARG 522 N -0.09 3.94 -0.23 -0.62 6.06 0.51 -1.58 118.95 126.95 3pcb s ARG 522 Ca -0.01 -0.35 -0.04 0.00 -2.50 0.00 0.00 55.73 52.82 3pcb s ARG 522 Cb -0.11 -3.26 0.09 0.00 0.06 0.00 0.00 34.95 31.73 3pcb s ARG 522 CO 0.02 0.19 0.14 0.12 -2.50 0.00 0.00 175.30 173.27 3pcb s PHE 523 N 0.59 0.11 0.10 5.12 5.36 0.55 -2.00 117.98 127.81 3pcb s PHE 523 Ca 0.04 -0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 55.55 3pcb s PHE 523 Cb -0.13 -0.69 -0.05 0.00 -0.34 0.00 0.00 43.02 41.81 3pcb s PHE 523 CO 0.01 -0.67 0.32 -0.51 -1.46 0.00 0.00 175.22 172.92 3pcb s ASP 524 N 2.17 6.47 -0.05 6.13 1.01 -1.26 -3.93 116.67 127.21 3pcb s ASP 524 Ca 0.06 0.53 0.05 0.00 0.71 0.00 0.00 52.55 53.90 3pcb s ASP 524 Cb -0.16 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 3pcb s ASP 524 CO -0.21 0.12 -0.22 -0.63 0.21 0.00 0.00 175.17 174.44 3pcb s ILE 525 N -1.54 1.83 -0.23 0.77 1.01 0.18 -4.94 121.20 118.28 3pcb s ILE 525 Ca 0.37 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 3pcb s ILE 525 Cb -0.13 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 3pcb s ILE 525 CO 0.23 0.51 -0.04 -0.69 0.00 0.00 0.00 174.94 174.95 3pcb s VAL 526 N -0.07 3.30 0.39 2.92 1.01 -1.25 -0.65 120.40 126.04 3pcb s VAL 526 Ca -0.04 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3pcb s VAL 526 Cb -0.13 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 3pcb s VAL 526 CO 0.03 0.37 0.56 -0.76 0.00 0.00 0.00 175.10 175.31 3pcb s LEU 527 N 1.45 3.80 0.30 3.92 1.43 0.27 -4.89 118.68 124.97 3pcb s LEU 527 Ca 0.05 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 3pcb s LEU 527 Cb -0.15 -2.90 -0.14 0.00 0.03 0.00 0.00 46.19 43.04 3pcb s LEU 527 CO -0.03 -0.58 1.00 0.54 0.23 0.00 0.00 176.35 177.51 3pcb n ARG 528 N -1.84 1.35 -2.09 1.70 1.74 -1.26 -0.93 116.66 115.32 3pcb n ARG 528 Ca 0.01 0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 3pcb n ARG 528 Cb 0.58 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3pcb n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pcb s GLY 529 N -0.57 2.37 -0.14 -0.13 0.00 -1.26 -4.29 107.32 103.29 3pcb s GLY 529 Ca 0.59 1.24 -0.05 0.00 0.00 0.00 0.00 44.72 46.51 3pcb s GLY 529 CO 0.60 2.20 0.02 1.62 0.00 0.00 0.00 173.10 177.54 3pcb s GLN 530 N -0.27 3.57 0.14 2.90 0.74 -1.26 -1.05 119.66 124.43 3pcb s GLN 530 Ca 0.58 -0.40 -0.06 0.00 0.05 0.00 0.00 55.36 55.54 3pcb s GLN 530 Cb -0.40 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 3pcb s GLN 530 CO 0.41 0.42 0.19 -0.98 -0.55 0.00 0.00 175.29 174.78 3pcb s ARG 531 N -0.09 1.04 0.49 1.67 1.70 -0.01 -4.97 118.95 118.78 3pcb s ARG 531 Ca 0.05 -1.26 -0.15 0.00 -0.47 0.00 0.00 55.73 53.90 3pcb s ARG 531 Cb -0.12 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.50 3pcb s ARG 531 CO 0.02 -0.35 0.93 -1.59 -1.08 0.00 0.00 175.30 173.23 3pcb s LYS 532 N -3.99 3.90 0.71 3.89 -2.85 -1.26 0.37 119.74 120.51 3pcb s LYS 532 Ca 0.19 0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 55.88 3pcb s LYS 532 Cb 0.05 -2.20 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 3pcb s LYS 532 CO -0.00 -0.22 1.07 0.95 0.10 0.00 0.00 175.35 177.25 3pcb s THR 533 N -2.57 3.89 -0.23 3.79 -4.23 -1.18 -4.72 115.64 110.38 3pcb s THR 533 Ca 0.57 0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 61.49 3pcb s THR 533 Cb -0.10 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.50 3pcb s THR 533 CO 0.32 -0.80 0.60 -1.38 -0.54 0.00 0.00 174.62 172.82 3pcb s HIS 534 N -3.01 -0.70 -1.02 3.99 -3.43 -1.26 -4.90 115.29 104.95 3pcb s HIS 534 Ca 0.59 1.66 0.00 0.00 -0.80 0.00 0.00 55.06 56.50 3pcb s HIS 534 Cb -0.15 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 3pcb s HIS 534 CO 0.55 -0.34 0.00 1.19 -2.00 0.00 0.00 174.74 174.14 3pcb n PHE 535 N 2.98 -0.80 1.39 0.38 3.72 -1.26 -5.25 117.46 118.61 3pcb n PHE 535 Ca -0.15 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.36 3pcb n PHE 535 Cb 0.56 -2.28 0.66 0.00 -0.94 0.00 0.00 39.48 37.48 3pcb n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10