#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 2.13 0.02 0.55 0.00 -1.26 -5.06 121.76 118.14 3pcb s ALA 302 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3pcb s ALA 302 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3pcb s ALA 302 CO 0.00 -1.85 -0.11 -0.65 0.00 0.00 0.00 175.76 173.15 3pcb s GLN 303 N -4.31 0.79 -0.89 0.00 -0.21 -1.26 -5.09 119.66 108.69 3pcb s GLN 303 Ca 0.68 -0.55 -0.25 0.00 0.02 0.00 0.00 55.36 55.26 3pcb s GLN 303 Cb -0.23 -0.75 0.04 0.00 1.00 0.00 0.00 33.01 33.07 3pcb s GLN 303 CO 0.49 0.19 1.37 0.34 -2.12 0.00 0.00 175.29 175.56 3pcb s ASP 304 N -0.76 6.34 0.00 5.90 2.15 -1.26 -4.67 116.67 124.37 3pcb s ASP 304 Ca 0.01 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.01 3pcb s ASP 304 Cb -0.06 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3pcb s ASP 304 CO 0.00 -1.67 0.06 -0.46 -0.17 0.00 0.00 175.17 172.93 3pcb n ASN 305 N 9.13 0.11 -4.41 -0.34 0.23 -1.26 -5.02 115.26 113.70 3pcb n ASN 305 Ca 0.19 -0.45 -0.23 0.00 -0.53 0.00 0.00 54.58 53.56 3pcb n ASN 305 Cb 0.50 0.57 -0.11 0.00 -2.08 0.00 0.00 39.78 38.66 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 -0.57 3.20 0.03 0.53 0.01 -1.26 -3.66 113.70 111.98 3pcb s SER 306 Ca 0.00 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 56.37 3pcb s SER 306 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 3pcb s SER 306 CO 0.00 0.01 -0.20 -0.13 0.41 0.00 0.00 173.24 173.33 3pcb s ARG 307 N -3.18 1.41 -0.11 12.44 1.81 -0.10 -4.86 118.95 126.36 3pcb s ARG 307 Ca 0.24 -0.88 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 3pcb s ARG 307 Cb -0.05 -1.48 -0.02 0.00 -0.45 0.00 0.00 34.95 32.95 3pcb s ARG 307 CO 0.11 0.38 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.92 3pcb s PHE 308 N -0.73 2.79 0.34 -0.53 0.40 -1.26 -1.11 117.98 117.88 3pcb s PHE 308 Ca 0.07 -0.54 -0.28 0.00 -0.60 0.00 0.00 56.93 55.58 3pcb s PHE 308 Cb -0.08 -1.80 -0.12 0.00 0.51 0.00 0.00 43.02 41.53 3pcb s PHE 308 CO 0.01 -0.13 1.23 0.28 0.70 0.00 0.00 175.22 177.32 3pcb n VAL 309 N 3.26 2.06 -1.88 -0.44 0.31 0.12 -4.89 118.33 116.87 3pcb n VAL 309 Ca -0.18 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.24 3pcb n VAL 309 Cb 0.53 -1.46 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 3pcb n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pcb s ILE 310 N -1.10 2.22 0.34 2.52 -1.09 -1.26 -4.67 121.20 118.16 3pcb s ILE 310 Ca 0.57 0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 58.93 3pcb s ILE 310 Cb -0.58 -3.14 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 3pcb s ILE 310 CO 0.61 0.05 1.24 -0.13 -1.23 0.00 0.00 174.94 175.49 3pcb s ARG 311 N -1.99 4.32 -0.57 2.79 0.52 -1.26 -4.98 118.95 117.79 3pcb s ARG 311 Ca 0.52 2.07 -0.18 0.00 -0.52 0.00 0.00 55.73 57.62 3pcb s ARG 311 Cb -0.45 -3.00 0.11 0.00 0.52 0.00 0.00 34.95 32.13 3pcb s ARG 311 CO 0.60 -0.16 0.63 0.34 0.02 0.00 0.00 175.30 176.73 3pcb s ASP 312 N -0.69 6.19 0.00 0.23 -1.08 -1.26 -4.88 116.67 115.17 3pcb s ASP 312 Ca 0.50 -1.56 0.22 0.00 -0.52 0.00 0.00 52.55 51.19 3pcb s ASP 312 Cb -0.37 -2.27 1.22 0.00 -1.46 0.00 0.00 42.92 40.04 3pcb s ASP 312 CO 0.48 -1.01 1.69 0.54 0.52 0.00 0.00 175.17 177.38 3pcb n ARG 313 N 5.92 0.53 0.04 4.34 1.74 -1.26 -1.67 116.66 126.30 3pcb n ARG 313 Ca -0.11 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.12 3pcb n ARG 313 Cb 0.42 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.12 0.55 -0.03 0.55 3.02 -1.26 -4.31 115.26 112.65 3pcb n ASN 314 Ca 0.14 -0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.47 3pcb n ASN 314 Cb 0.11 0.97 -0.13 0.00 -0.61 0.00 0.00 39.78 40.12 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 0.21 -4.27 3.10 2.91 -1.74 -3.44 115.95 112.72 3pcb h TRP 315 Ca 0.00 -0.15 -0.50 0.00 1.13 0.00 0.00 58.89 59.36 3pcb h TRP 315 Cb 0.85 -0.01 0.08 0.00 -0.51 0.00 0.00 29.16 29.57 3pcb h TRP 315 CO 0.00 1.22 0.37 -1.01 -1.03 0.00 0.00 178.44 178.00 3pcb s HIS 316 N -2.33 3.09 0.64 2.65 3.76 -1.09 -4.74 115.29 117.27 3pcb s HIS 316 Ca -0.19 1.46 -0.18 0.00 -0.15 0.00 0.00 55.06 56.00 3pcb s HIS 316 Cb 0.00 -2.92 -0.01 0.00 1.11 0.00 0.00 32.58 30.76 3pcb s HIS 316 CO 0.73 -1.13 1.23 -1.25 -0.85 0.00 0.00 174.74 173.46 3pcb s PRO 317 N -4.61 2.69 0.80 8.40 0.04 -1.26 -4.80 135.00 136.25 3pcb s PRO 317 Ca 0.60 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 3pcb s PRO 317 Cb -0.15 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.59 3pcb s PRO 317 CO 0.47 -1.44 1.16 0.15 0.04 0.00 0.00 177.00 177.38 3pcb s LYS 318 N -3.48 1.91 0.04 4.56 -0.14 -1.25 -4.99 119.74 116.39 3pcb s LYS 318 Ca 0.78 0.00 -0.18 0.00 -1.36 0.00 0.00 55.97 55.22 3pcb s LYS 318 Cb -0.32 -1.98 -0.21 0.00 -1.68 0.00 0.00 37.83 33.64 3pcb s LYS 318 CO 0.37 -1.59 1.17 0.00 -0.76 0.00 0.00 175.35 174.54 3pcb h ALA 319 N -1.02 0.14 -2.39 5.17 0.00 -1.95 -3.42 119.26 115.78 3pcb h ALA 319 Ca -0.46 -0.57 -0.71 0.00 0.00 0.00 0.00 54.91 53.17 3pcb h ALA 319 Cb 1.32 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.93 3pcb h ALA 319 CO 0.63 0.44 -0.31 -1.17 0.00 0.00 0.00 179.25 178.84 3pcb s LEU 320 N -8.38 5.15 -0.45 0.00 2.96 -1.26 -4.72 118.68 111.98 3pcb s LEU 320 Ca -0.12 -0.94 0.03 0.00 -0.22 0.00 0.00 54.13 52.89 3pcb s LEU 320 Cb 0.05 -2.25 0.16 0.00 0.50 0.00 0.00 46.19 44.66 3pcb s LEU 320 CO 0.85 -0.56 0.34 0.42 -1.32 0.00 0.00 176.35 176.07 3pcb s THR 321 N 1.86 0.83 0.60 3.68 -4.23 -1.26 -5.03 115.64 112.08 3pcb s THR 321 Ca 0.07 -2.77 0.29 0.00 -1.18 0.00 0.00 61.69 58.11 3pcb s THR 321 Cb -0.20 -1.57 0.41 0.00 1.34 0.00 0.00 72.50 72.48 3pcb s THR 321 CO 0.10 -1.13 1.61 -0.65 -0.54 0.00 0.00 174.62 174.01 3pcb h PRO 322 N 5.91 0.00 0.00 3.99 0.11 -1.93 0.74 132.00 140.82 3pcb h PRO 322 Ca 0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3pcb h PRO 322 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3pcb h PRO 322 CO 0.42 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.60 3pcb h ASP 323 N 0.00 0.00 -3.32 -2.05 3.32 -1.96 -3.23 116.42 109.18 3pcb h ASP 323 Ca 0.38 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.66 3pcb h ASP 323 Cb 2.13 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 41.44 3pcb h ASP 323 CO -0.00 0.17 0.49 -0.47 -1.72 0.00 0.00 179.24 177.70 3pcb s TYR 324 N -3.81 3.82 0.27 4.55 5.04 0.25 -4.85 117.35 122.62 3pcb s TYR 324 Ca -0.00 -2.17 -0.08 0.00 -2.44 0.00 0.00 57.07 52.38 3pcb s TYR 324 Cb 0.11 -3.96 0.44 0.00 0.35 0.00 0.00 41.96 38.90 3pcb s TYR 324 CO 0.61 -1.10 1.50 1.63 -1.34 0.00 0.00 175.55 176.85 3pcb n LYS 325 N 4.11 -0.09 0.27 4.97 5.02 -1.22 -1.44 118.16 129.79 3pcb n LYS 325 Ca 0.22 1.50 0.12 0.00 -2.02 0.00 0.00 58.31 58.13 3pcb n LYS 325 Cb 0.44 -2.24 0.78 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.69 0.00 -0.18 2.02 -1.92 -2.35 112.91 111.16 3pcb h THR 326 Ca 0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3pcb h THR 326 Cb 0.70 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3pcb h THR 326 CO -0.99 0.05 0.00 0.77 0.37 0.00 0.00 175.52 175.72 3pcb h SER 327 N 0.00 0.00 0.51 4.18 4.64 -1.55 -3.11 113.55 118.22 3pcb h SER 327 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3pcb h SER 327 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3pcb h SER 327 CO 0.01 0.00 -0.25 0.40 -0.87 0.00 0.00 176.83 176.11 3pcb h ILE 328 N 0.00 0.48 0.00 0.95 2.04 -1.56 -3.02 117.51 116.40 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 0.30 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3pcb h ILE 328 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.82 3pcb n ALA 329 N -2.40 3.03 -1.43 1.87 0.00 -1.23 -4.06 120.51 116.28 3pcb n ALA 329 Ca -0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 3pcb n ALA 329 Cb 0.29 -1.25 0.20 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.60 1.90 -4.92 0.00 1.74 -1.18 -4.96 116.66 107.64 3pcb n ARG 330 Ca 0.06 -3.17 -0.26 0.00 -0.77 0.00 0.00 57.85 53.70 3pcb n ARG 330 Cb 0.35 -1.86 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 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 -2.39 2.36 0.54 0.55 1.04 -1.15 -4.94 113.70 109.71 3pcb s SER 331 Ca 0.46 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.30 3pcb s SER 331 Cb 0.42 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 3pcb s SER 331 CO 0.01 0.23 1.21 -2.84 0.98 0.00 0.00 173.24 172.84 3pcb s PRO 332 N -0.58 3.28 -0.02 4.02 0.02 -1.26 -4.96 135.00 135.49 3pcb s PRO 332 Ca 0.08 1.86 0.19 0.00 0.02 0.00 0.00 61.00 63.15 3pcb s PRO 332 Cb -0.08 -2.14 -0.28 0.00 0.02 0.00 0.00 34.50 32.02 3pcb s PRO 332 CO -0.00 -0.97 0.46 0.54 -0.33 0.00 0.00 177.00 176.70 3pcb n ARG 333 N -1.13 0.62 -3.56 5.54 5.12 -1.26 -4.93 116.66 117.05 3pcb n ARG 333 Ca 0.11 -0.15 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 3pcb n ARG 333 Cb 0.48 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 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 -3.24 3.65 0.46 5.56 -1.52 -1.26 -5.07 119.66 118.24 3pcb s GLN 334 Ca -0.05 -0.02 -0.23 0.00 -1.95 0.00 0.00 55.36 53.10 3pcb s GLN 334 Cb 0.12 -2.77 -0.07 0.00 -0.22 0.00 0.00 33.01 30.08 3pcb s GLN 334 CO 0.78 0.38 1.22 0.00 -0.25 0.00 0.00 175.29 177.43 3pcb s ALA 335 N -1.79 3.00 0.56 6.09 0.00 -1.26 -4.98 121.76 123.37 3pcb s ALA 335 Ca 0.43 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.24 3pcb s ALA 335 Cb -0.12 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3pcb s ALA 335 CO 0.25 -0.81 1.25 -0.51 0.00 0.00 0.00 175.76 175.94 3pcb s LEU 336 N -2.99 3.78 -0.27 0.00 1.43 -1.26 -5.00 118.68 114.37 3pcb s LEU 336 Ca 0.64 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 56.10 3pcb s LEU 336 Cb -0.32 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.41 3pcb s LEU 336 CO 0.40 -1.48 0.27 -0.69 0.23 0.00 0.00 176.35 175.07 3pcb s VAL 337 N -1.49 5.25 0.17 -1.59 1.01 -1.26 -5.07 120.40 117.43 3pcb s VAL 337 Ca 0.73 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3pcb s VAL 337 Cb -0.33 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3pcb s VAL 337 CO 0.38 0.22 0.98 -0.44 0.00 0.00 0.00 175.10 176.24 3pcb s SER 338 N 1.67 7.50 0.02 3.32 0.01 -1.26 -5.06 113.70 119.90 3pcb s SER 338 Ca 0.11 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.30 3pcb s SER 338 Cb -0.16 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 3pcb s SER 338 CO 0.10 -0.02 -0.06 0.27 0.41 0.00 0.00 173.24 173.94 3pcb s ILE 339 N -0.49 0.39 0.66 1.44 -4.36 -1.26 -5.15 121.20 112.44 3pcb s ILE 339 Ca 0.45 -0.76 -0.15 0.00 -0.26 0.00 0.00 60.65 59.93 3pcb s ILE 339 Cb -0.26 -0.44 0.00 0.00 1.25 0.00 0.00 42.46 43.02 3pcb s ILE 339 CO 0.32 -0.25 1.12 -2.16 0.24 0.00 0.00 174.94 174.21 3pcb s PRO 340 N -1.08 2.75 0.18 0.37 0.04 -1.26 -4.99 135.00 131.01 3pcb s PRO 340 Ca -0.07 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3pcb s PRO 340 Cb -0.07 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3pcb s PRO 340 CO -0.00 -1.29 0.98 -0.65 0.04 0.00 0.00 177.00 176.08 3pcb s GLN 341 N -4.05 4.74 0.38 4.56 -0.21 -1.26 -5.02 119.66 118.80 3pcb s GLN 341 Ca 0.68 1.53 0.04 0.00 0.02 0.00 0.00 55.36 57.63 3pcb s GLN 341 Cb -0.21 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 3pcb s GLN 341 CO 0.41 0.32 0.14 -1.54 -2.12 0.00 0.00 175.29 172.50 3pcb s SER 342 N -0.55 2.45 0.59 5.90 1.04 -1.26 -5.00 113.70 116.87 3pcb s SER 342 Ca 0.45 -1.63 0.29 0.00 0.48 0.00 0.00 55.95 55.54 3pcb s SER 342 Cb -0.26 0.44 1.71 0.00 0.10 0.00 0.00 66.02 68.01 3pcb s SER 342 CO 0.32 -0.91 2.13 -0.29 0.98 0.00 0.00 173.24 175.48 3pcb h ILE 343 N 1.92 0.46 -0.81 -1.02 2.10 -1.95 -0.46 117.51 117.74 3pcb h ILE 343 Ca -0.35 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.57 3pcb h ILE 343 Cb 1.26 0.87 -0.04 0.00 -1.09 0.00 0.00 36.82 37.83 3pcb h ILE 343 CO 0.56 0.00 0.40 0.28 -1.08 0.00 0.00 178.15 178.31 3pcb h SER 344 N 0.00 1.05 0.38 2.19 0.02 -1.95 -3.09 113.55 112.14 3pcb h SER 344 Ca 0.07 -0.13 -0.31 0.00 -0.84 0.00 0.00 61.79 60.58 3pcb h SER 344 Cb 0.38 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 3pcb h SER 344 CO -0.00 0.88 -1.86 -0.62 -1.14 0.00 0.00 176.83 174.09 3pcb n GLU 345 N -4.36 0.65 -0.14 3.45 4.71 -0.43 -4.39 120.64 120.13 3pcb n GLU 345 Ca 0.08 0.24 0.08 0.00 -0.01 0.00 0.00 57.16 57.55 3pcb n GLU 345 Cb 0.13 -1.74 0.26 0.00 -1.01 0.00 0.00 31.44 29.08 3pcb n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pcb n THR 346 N -3.00 0.38 -4.50 2.62 -2.24 -0.32 -2.67 114.28 104.54 3pcb n THR 346 Ca -0.21 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 60.88 3pcb n THR 346 Cb 1.07 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.62 1.90 0.06 4.28 -4.23 -1.17 -4.72 115.64 110.13 3pcb s THR 347 Ca 0.29 -2.13 -0.28 0.00 -1.18 0.00 0.00 61.69 58.39 3pcb s THR 347 Cb 0.16 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.46 3pcb s THR 347 CO 0.22 -0.20 1.11 -0.83 -0.54 0.00 0.00 174.62 174.39 3pcb s GLY 348 N -3.55 -0.32 0.55 3.99 0.00 -1.23 -1.68 107.32 105.08 3pcb s GLY 348 Ca 0.32 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.29 3pcb s GLY 348 CO 0.15 0.08 1.11 2.56 0.00 0.00 0.00 173.10 177.00 3pcb s PRO 349 N -2.88 3.38 -0.18 2.90 0.04 -1.26 -4.85 135.00 132.16 3pcb s PRO 349 Ca 0.13 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 3pcb s PRO 349 Cb 0.01 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3pcb s PRO 349 CO -0.01 -0.82 -0.14 1.21 0.04 0.00 0.00 177.00 177.29 3pcb s ASN 350 N -1.90 3.69 -0.23 6.66 3.84 -1.26 -4.88 114.94 120.86 3pcb s ASN 350 Ca 0.71 -0.49 0.14 0.00 0.21 0.00 0.00 52.86 53.42 3pcb s ASN 350 Cb -0.22 -1.59 0.81 0.00 -0.55 0.00 0.00 41.25 39.70 3pcb s ASN 350 CO 0.27 0.04 1.73 0.49 -2.79 0.00 0.00 177.10 176.84 3pcb n PHE 351 N 4.38 2.05 -0.16 0.43 3.72 -1.26 -4.63 117.46 122.00 3pcb n PHE 351 Ca -0.19 -0.71 0.14 0.00 -0.05 0.00 0.00 57.45 56.63 3pcb n PHE 351 Cb 0.51 -0.51 0.49 0.00 -0.94 0.00 0.00 39.48 39.03 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 3.91 0.42 -0.65 4.37 0.02 -1.96 -1.68 113.55 117.98 3pcb h SER 352 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3pcb h SER 352 Cb 1.96 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.44 3pcb h SER 352 CO 0.49 0.23 0.00 1.41 -1.14 0.00 0.00 176.83 177.81 3pcb n HIS 353 N -4.48 1.17 -2.37 3.45 8.25 -1.26 -4.93 115.22 115.05 3pcb n HIS 353 Ca 0.14 -0.51 -0.38 0.00 -0.26 0.00 0.00 57.72 56.71 3pcb n HIS 353 Cb 0.48 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.38 4.19 -0.87 2.41 2.96 -0.64 -4.95 118.68 120.40 3pcb s LEU 354 Ca 0.47 2.25 -0.18 0.00 -0.22 0.00 0.00 54.13 56.45 3pcb s LEU 354 Cb 0.27 -4.06 0.15 0.00 0.50 0.00 0.00 46.19 43.06 3pcb s LEU 354 CO 0.27 -0.61 1.00 -0.83 -1.32 0.00 0.00 176.35 174.87 3pcb s GLY 355 N -1.25 2.07 0.25 7.98 0.00 -1.26 -5.02 107.32 110.08 3pcb s GLY 355 Ca 0.57 -2.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.17 3pcb s GLY 355 CO 0.35 1.80 0.98 -1.36 0.00 0.00 0.00 173.10 174.88 3pcb s PHE 356 N 2.14 3.88 0.73 1.90 0.08 -1.26 -5.05 117.98 120.40 3pcb s PHE 356 Ca 0.27 1.86 -0.11 0.00 0.12 0.00 0.00 56.93 59.07 3pcb s PHE 356 Cb -0.08 -3.06 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 3pcb s PHE 356 CO -0.07 0.19 1.07 0.20 -0.10 0.00 0.00 175.22 176.51 3pcb s GLY 357 N -1.10 1.65 0.44 4.36 0.00 -1.26 -4.96 107.32 106.45 3pcb s GLY 357 Ca 0.42 -0.03 0.11 0.00 0.00 0.00 0.00 44.72 45.22 3pcb s GLY 357 CO 0.34 0.32 2.06 0.00 0.00 0.00 0.00 173.10 175.82 3pcb h ALA 358 N -0.84 1.77 -0.13 3.20 0.00 -2.02 -2.88 119.26 118.35 3pcb h ALA 358 Ca -0.45 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3pcb h ALA 358 Cb 1.23 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3pcb h ALA 358 CO 0.58 0.19 -0.44 0.72 0.00 0.00 0.00 179.25 180.30 3pcb n HIS 359 N -4.45 0.43 -0.06 0.00 8.25 -1.26 -4.80 115.22 113.33 3pcb n HIS 359 Ca -0.00 -1.59 0.07 0.00 -0.26 0.00 0.00 57.72 55.94 3pcb n HIS 359 Cb 0.12 -0.31 0.43 0.00 1.12 0.00 0.00 29.99 31.35 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 1.10 0.48 -0.08 0.41 5.19 -1.79 -2.29 116.42 119.45 3pcb h ASP 360 Ca 0.07 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3pcb h ASP 360 Cb 1.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.57 3pcb h ASP 360 CO 0.14 0.33 0.00 0.00 -3.12 0.00 0.00 179.24 176.59 3pcb n HIS 361 N -4.47 0.07 -3.82 4.55 1.44 -1.14 -1.90 115.22 109.93 3pcb n HIS 361 Ca 0.06 -0.03 -0.34 0.00 -2.01 0.00 0.00 57.72 55.40 3pcb n HIS 361 Cb 0.18 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.17 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 -1.91 4.98 0.00 4.39 -1.08 -0.86 -2.41 116.67 119.78 3pcb s ASP 362 Ca 0.29 -2.59 0.10 0.00 -0.52 0.00 0.00 52.55 49.83 3pcb s ASP 362 Cb 0.20 -1.77 0.43 0.00 -1.46 0.00 0.00 42.92 40.32 3pcb s ASP 362 CO 0.30 -0.38 1.32 0.18 0.52 0.00 0.00 175.17 177.10 3pcb n LEU 363 N 3.78 0.00 0.14 -1.34 4.32 0.65 -0.80 117.00 123.76 3pcb n LEU 363 Ca 0.04 0.49 0.03 0.00 -0.02 0.00 0.00 56.01 56.55 3pcb n LEU 363 Cb 0.38 -0.49 0.03 0.00 -1.62 0.00 0.00 43.42 41.72 3pcb n LEU 363 CO 0.32 -0.32 0.45 -0.07 -1.22 0.00 0.00 177.39 176.55 3pcb h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.91 -3.39 115.31 116.31 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 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3pcb h LEU 364 CO 0.00 0.46 -0.68 0.18 -1.08 0.00 0.00 178.44 177.32 3pcb n LEU 365 N -3.19 0.00 0.00 1.67 4.77 -0.80 -4.55 117.00 114.90 3pcb n LEU 365 Ca 0.01 -0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.03 3pcb n LEU 365 Cb 0.72 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.56 3pcb n LEU 365 CO 0.40 0.00 0.96 -0.46 -1.33 0.00 0.00 177.39 176.96 3pcb n ASN 366 N -1.20 0.00 -0.01 -1.43 0.23 0.02 -5.04 115.26 107.84 3pcb n ASN 366 Ca 0.00 -1.04 -0.01 0.00 -0.53 0.00 0.00 54.58 53.00 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 0.01 -0.37 -2.53 7.35 -1.26 -4.98 117.46 114.75 3pcb n PHE 367 Ca 0.19 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3pcb n PHE 367 Cb 0.09 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 39.84 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 1.52 0.00 3.83 7.13 0.00 -1.26 -4.86 105.19 111.55 3pcb n GLY 371 Ca -0.01 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 -2.27 0.00 0.00 0.00 173.32 171.05 3pcb s LEU 372 N -2.71 4.15 0.70 0.99 2.96 -1.26 -4.86 118.68 118.64 3pcb s LEU 372 Ca 0.00 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 3pcb s LEU 372 Cb 0.00 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3pcb s LEU 372 CO 0.00 0.38 1.17 -2.84 -1.32 0.00 0.00 176.35 173.74 3pcb s PRO 373 N -1.13 2.43 -0.11 0.98 0.02 -1.26 -4.81 135.00 131.11 3pcb s PRO 373 Ca 0.16 1.62 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 3pcb s PRO 373 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 3pcb s PRO 373 CO 0.06 -1.58 0.37 0.42 -0.33 0.00 0.00 177.00 175.94 3pcb s ILE 374 N -2.10 5.22 -5.00 2.83 1.01 -1.26 -5.00 121.20 116.90 3pcb s ILE 374 Ca 0.72 0.73 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3pcb s ILE 374 Cb -0.26 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3pcb s ILE 374 CO 0.43 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.39 3pcb n GLY 375 N 2.98 0.28 3.64 6.18 0.00 -1.26 -4.38 105.19 112.63 3pcb n GLY 375 Ca -0.11 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.28 4.00 -0.14 1.61 2.02 -1.26 -4.90 118.70 118.74 3pcb s GLU 376 Ca 0.00 1.54 -0.29 0.00 0.02 0.00 0.00 54.97 56.24 3pcb s GLU 376 Cb 0.00 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 3pcb s GLU 376 CO 0.00 -1.02 1.13 1.03 0.02 0.00 0.00 175.26 176.41 3pcb s ARG 377 N 4.09 4.32 0.05 1.61 0.52 -1.26 -0.91 118.95 127.36 3pcb s ARG 377 Ca 0.61 1.52 -0.06 0.00 -0.52 0.00 0.00 55.73 57.29 3pcb s ARG 377 Cb -0.21 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 3pcb s ARG 377 CO 0.23 -0.52 0.10 0.96 0.02 0.00 0.00 175.30 176.08 3pcb s ILE 378 N 2.72 0.15 -0.14 1.52 -4.36 -0.48 -2.08 121.20 118.53 3pcb s ILE 378 Ca 0.51 -1.20 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 3pcb s ILE 378 Cb -0.20 -1.06 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 3pcb s ILE 378 CO 0.15 -0.66 -0.04 -0.63 0.24 0.00 0.00 174.94 174.00 3pcb s ILE 379 N -3.00 3.92 -0.22 8.37 1.01 -0.60 -0.98 121.20 129.70 3pcb s ILE 379 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3pcb s ILE 379 Cb 0.01 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.80 3pcb s ILE 379 CO -0.06 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.60 3pcb s VAL 380 N 0.12 2.67 0.13 2.92 1.01 -0.03 -1.61 120.40 125.61 3pcb s VAL 380 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3pcb s VAL 380 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3pcb s VAL 380 CO 0.03 0.33 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 3pcb s ALA 381 N 1.33 1.10 0.00 5.51 0.00 -0.74 -0.48 121.76 128.47 3pcb s ALA 381 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.51 3pcb s ALA 381 Cb -0.15 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3pcb s ALA 381 CO -0.07 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3pcb n GLY 382 N -0.13 -0.98 3.11 0.00 0.00 -1.09 0.63 105.19 106.73 3pcb n GLY 382 Ca -0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.86 0.67 -0.22 1.61 3.52 -1.25 -1.98 118.95 120.43 3pcb s ARG 383 Ca 0.00 -1.05 -0.04 0.00 -0.13 0.00 0.00 55.73 54.51 3pcb s ARG 383 Cb 0.00 -0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.16 3pcb s ARG 383 CO 0.00 0.01 -0.02 0.08 -0.81 0.00 0.00 175.30 174.56 3pcb s VAL 384 N -2.55 3.57 0.19 7.11 1.01 0.11 -0.88 120.40 128.96 3pcb s VAL 384 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3pcb s VAL 384 Cb -0.02 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3pcb s VAL 384 CO -0.03 0.41 -0.04 0.68 0.00 0.00 0.00 175.10 176.13 3pcb s VAL 385 N 1.42 1.03 0.67 2.92 -7.23 -0.23 -0.96 120.40 118.02 3pcb s VAL 385 Ca 0.05 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 3pcb s VAL 385 Cb -0.14 -2.13 0.11 0.00 0.56 0.00 0.00 36.38 34.77 3pcb s VAL 385 CO -0.01 -0.50 0.93 1.51 -0.31 0.00 0.00 175.10 176.72 3pcb s ASP 386 N -3.24 4.60 0.55 4.85 1.47 0.12 -0.46 116.67 124.57 3pcb s ASP 386 Ca 0.24 -0.42 0.37 0.00 1.18 0.00 0.00 52.55 53.91 3pcb s ASP 386 Cb 0.05 -0.05 1.92 0.00 -0.34 0.00 0.00 42.92 44.50 3pcb s ASP 386 CO 0.05 -1.68 2.13 1.56 0.68 0.00 0.00 175.17 177.91 3pcb h GLN 387 N -0.32 0.00 -0.01 2.11 4.20 -1.25 0.41 115.11 120.25 3pcb h GLN 387 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3pcb h GLN 387 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3pcb h GLN 387 CO 0.41 0.00 -0.11 0.66 -0.67 0.00 0.00 178.83 179.13 3pcb n TYR 388 N -2.86 0.00 -0.79 2.96 4.01 -1.26 -4.91 117.16 114.31 3pcb n TYR 388 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3pcb n TYR 388 Cb 0.11 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.24 0.55 3.75 2.72 0.00 0.13 -5.04 105.19 108.54 3pcb n GLY 389 Ca 0.16 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.02 4.29 0.55 1.61 2.20 -1.25 -4.76 119.74 121.36 3pcb s LYS 390 Ca 0.00 0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 56.01 3pcb s LYS 390 Cb 0.00 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 3pcb s LYS 390 CO 0.00 0.31 1.24 -1.25 -0.36 0.00 0.00 175.35 175.29 3pcb s PRO 391 N 0.07 3.18 -0.51 4.03 0.05 -1.26 0.14 135.00 140.70 3pcb s PRO 391 Ca 0.29 1.92 -0.01 0.00 0.05 0.00 0.00 61.00 63.25 3pcb s PRO 391 Cb -0.17 -2.11 0.13 0.00 0.05 0.00 0.00 34.50 32.40 3pcb s PRO 391 CO 0.14 -1.07 0.30 0.08 0.05 0.00 0.00 177.00 176.50 3pcb s VAL 392 N -1.50 3.30 0.37 -0.36 1.01 -0.13 -4.82 120.40 118.26 3pcb s VAL 392 Ca 0.73 -2.61 -0.16 0.00 0.00 0.00 0.00 61.98 59.94 3pcb s VAL 392 Cb -0.33 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 3pcb s VAL 392 CO 0.37 -0.78 0.80 -2.16 0.00 0.00 0.00 175.10 173.34 3pcb s PRO 393 N 0.44 4.02 -1.36 2.72 0.04 -1.26 -4.28 135.00 135.31 3pcb s PRO 393 Ca 0.13 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 3pcb s PRO 393 Cb -0.22 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3pcb s PRO 393 CO -0.04 0.06 0.47 0.09 0.04 0.00 0.00 177.00 177.63 3pcb n ASN 394 N -0.63 -1.10 -4.61 6.66 4.13 -0.37 -4.96 115.26 114.39 3pcb n ASN 394 Ca 0.04 -1.02 -0.30 0.00 1.68 0.00 0.00 54.58 54.98 3pcb n ASN 394 Cb 0.53 -3.06 -0.10 0.00 -1.54 0.00 0.00 39.78 35.62 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 -3.88 3.60 -0.20 3.41 -1.32 -1.26 -4.55 115.64 111.44 3pcb s THR 395 Ca 0.08 -1.08 -0.25 0.00 -1.21 0.00 0.00 61.69 59.23 3pcb s THR 395 Cb -0.03 -2.66 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 3pcb s THR 395 CO 0.89 0.18 0.83 -0.22 -2.21 0.00 0.00 174.62 174.09 3pcb s LEU 396 N -2.04 4.13 -0.24 9.08 2.96 -1.26 -0.92 118.68 130.39 3pcb s LEU 396 Ca 0.21 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 3pcb s LEU 396 Cb -0.11 -3.22 0.04 0.00 0.50 0.00 0.00 46.19 43.39 3pcb s LEU 396 CO 0.13 -0.45 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.92 3pcb s VAL 397 N 2.46 2.52 0.08 1.68 1.01 0.09 -1.82 120.40 126.43 3pcb s VAL 397 Ca 0.37 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3pcb s VAL 397 Cb -0.16 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3pcb s VAL 397 CO 0.10 0.18 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 3pcb s GLU 398 N 1.25 2.12 0.02 2.72 2.02 -0.41 -0.41 118.70 126.01 3pcb s GLU 398 Ca -0.02 -1.00 -0.14 0.00 0.02 0.00 0.00 54.97 53.83 3pcb s GLU 398 Cb -0.17 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.80 3pcb s GLU 398 CO -0.06 0.52 0.31 0.00 0.02 0.00 0.00 175.26 176.05 3pcb s MET 399 N -1.95 0.75 0.06 1.61 0.23 -0.44 -1.02 119.30 118.53 3pcb s MET 399 Ca 0.19 -0.36 -0.13 0.00 -1.03 0.00 0.00 55.69 54.37 3pcb s MET 399 Cb -0.11 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 3pcb s MET 399 CO 0.11 -0.23 0.28 1.67 -2.03 0.00 0.00 175.02 174.82 3pcb s TRP 400 N -1.98 -0.05 0.15 3.16 -2.14 -0.91 -1.26 118.94 115.91 3pcb s TRP 400 Ca -0.09 -0.15 -0.24 0.00 2.66 0.00 0.00 56.10 58.28 3pcb s TRP 400 Cb -0.03 0.07 0.07 0.00 -3.10 0.00 0.00 33.47 30.49 3pcb s TRP 400 CO 0.00 -0.51 1.03 1.14 -2.66 0.00 0.00 176.95 175.95 3pcb s GLN 401 N -2.84 1.16 0.82 3.25 -2.07 -0.22 -1.13 119.66 118.63 3pcb s GLN 401 Ca -0.03 -0.69 -0.10 0.00 -1.82 0.00 0.00 55.36 52.72 3pcb s GLN 401 Cb 0.00 0.36 0.13 0.00 -1.09 0.00 0.00 33.01 32.41 3pcb s GLN 401 CO -0.05 -0.54 1.15 0.00 -1.32 0.00 0.00 175.29 174.53 3pcb s ALA 402 N -2.71 2.87 0.78 2.60 0.00 -1.26 -4.57 121.76 119.46 3pcb s ALA 402 Ca 0.17 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3pcb s ALA 402 Cb -0.01 -2.58 0.10 0.00 0.00 0.00 0.00 23.12 20.63 3pcb s ALA 402 CO 0.03 -1.81 0.63 0.27 0.00 0.00 0.00 175.76 174.87 3pcb n ASN 403 N -3.27 0.41 0.16 0.00 0.23 -0.40 -4.52 115.26 107.86 3pcb n ASN 403 Ca 0.12 -1.44 0.18 0.00 -0.53 0.00 0.00 54.58 52.91 3pcb n ASN 403 Cb 0.60 -0.45 0.79 0.00 -2.08 0.00 0.00 39.78 38.65 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 -1.19 1.94 -0.00 -2.53 0.00 -1.76 -1.18 119.26 114.54 3pcb h ALA 404 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3pcb h ALA 404 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3pcb h ALA 404 CO 0.18 -0.42 -0.51 0.41 0.00 0.00 0.00 179.25 178.90 3pcb n GLY 405 N -1.44 -0.81 0.58 0.00 0.00 -1.26 -3.46 105.19 98.80 3pcb n GLY 405 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.44 0.83 3.70 -0.02 0.00 -0.52 -4.78 105.19 105.84 3pcb n GLY 406 Ca 0.08 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 4.21 0.01 1.61 6.06 -1.26 -4.77 118.95 124.18 3pcb s ARG 407 Ca 0.00 0.09 -0.08 0.00 -2.50 0.00 0.00 55.73 53.24 3pcb s ARG 407 Cb 0.00 -3.48 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 3pcb s ARG 407 CO 0.00 0.11 0.29 0.71 -2.50 0.00 0.00 175.30 173.92 3pcb s TYR 408 N 0.85 3.60 -1.24 5.12 1.51 -1.26 -1.28 117.35 124.65 3pcb s TYR 408 Ca 0.16 0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 56.74 3pcb s TYR 408 Cb -0.14 -2.04 0.16 0.00 -0.11 0.00 0.00 41.96 39.84 3pcb s TYR 408 CO 0.05 0.61 1.61 -2.13 -1.11 0.00 0.00 175.55 174.59 3pcb n ARG 409 N 1.23 3.44 -3.75 -0.62 0.63 -1.26 -4.72 116.66 111.61 3pcb n ARG 409 Ca -0.12 -3.70 -0.13 0.00 -0.92 0.00 0.00 57.85 52.99 3pcb n ARG 409 Cb 0.53 -3.03 -0.11 0.00 0.45 0.00 0.00 32.46 30.30 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 1.30 -0.38 0.26 -0.14 2.46 -1.26 -5.06 115.29 112.47 3pcb s HIS 410 Ca 0.42 0.91 -0.02 0.00 0.47 0.00 0.00 55.06 56.84 3pcb s HIS 410 Cb 0.02 0.13 0.57 0.00 -0.13 0.00 0.00 32.58 33.17 3pcb s HIS 410 CO 0.01 -0.20 1.65 0.87 -2.47 0.00 0.00 174.74 174.60 3pcb h LYS 411 N 5.99 0.19 0.00 2.88 1.57 -2.07 -0.85 116.57 124.29 3pcb h LYS 411 Ca -0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3pcb h LYS 411 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3pcb h LYS 411 CO 0.31 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.40 3pcb n ASN 412 N -5.24 0.00 -4.54 0.86 5.03 -1.26 -4.71 115.26 105.40 3pcb n ASN 412 Ca 0.17 0.45 -0.43 0.00 0.87 0.00 0.00 54.58 55.65 3pcb n ASN 412 Cb 0.56 -0.48 -0.04 0.00 -1.02 0.00 0.00 39.78 38.81 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 -2.96 6.36 0.00 6.41 2.15 -0.32 -4.86 116.67 123.44 3pcb s ASP 413 Ca 0.11 -0.24 0.22 0.00 0.43 0.00 0.00 52.55 53.07 3pcb s ASP 413 Cb 0.14 -2.48 0.31 0.00 -0.30 0.00 0.00 42.92 40.60 3pcb s ASP 413 CO 0.39 -1.34 1.30 0.54 -0.17 0.00 0.00 175.17 175.89 3pcb n ARG 414 N 7.86 2.29 -1.59 4.34 3.00 -1.26 -4.90 116.66 126.40 3pcb n ARG 414 Ca 0.04 -2.07 -0.43 0.00 -0.01 0.00 0.00 57.85 55.38 3pcb n ARG 414 Cb 0.48 -1.46 -0.00 0.00 0.00 0.00 0.00 32.46 31.48 3pcb n ARG 414 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 3pcb n TYR 415 N 1.33 1.11 0.30 -1.55 9.36 -1.26 -4.87 117.16 121.59 3pcb n TYR 415 Ca 0.16 0.64 0.19 0.00 3.32 0.00 0.00 57.90 62.21 3pcb n TYR 415 Cb 0.57 -2.22 0.88 0.00 -0.63 0.00 0.00 39.34 37.94 3pcb n TYR 415 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 3pcb h LEU 416 N 1.75 0.00 -9.72 2.98 -0.00 -1.98 -3.44 115.31 104.90 3pcb h LEU 416 Ca -0.41 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 56.94 3pcb h LEU 416 Cb 1.34 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 42.05 3pcb h LEU 416 CO 0.59 0.00 0.72 0.00 -0.00 0.00 0.00 178.44 179.75 3pcb s ALA 417 N -3.83 3.60 0.71 0.17 0.00 -1.26 -4.96 121.76 116.18 3pcb s ALA 417 Ca -0.01 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 3pcb s ALA 417 Cb 0.10 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.72 3pcb s ALA 417 CO 0.46 -0.67 1.16 -1.25 0.00 0.00 0.00 175.76 175.46 3pcb s PRO 418 N -0.25 2.38 0.62 0.00 0.04 -1.26 -4.71 135.00 131.82 3pcb s PRO 418 Ca 0.59 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 3pcb s PRO 418 Cb -0.40 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3pcb s PRO 418 CO 0.41 -1.61 1.05 -0.51 0.04 0.00 0.00 177.00 176.38 3pcb s LEU 419 N -5.10 3.36 -0.27 -3.56 1.43 -1.26 -4.75 118.68 108.53 3pcb s LEU 419 Ca 0.70 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 55.44 3pcb s LEU 419 Cb -0.25 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.46 3pcb s LEU 419 CO 0.44 -1.20 0.04 -0.62 0.23 0.00 0.00 176.35 175.25 3pcb s ASP 420 N -3.26 4.91 0.49 2.29 -1.08 -1.26 -4.99 116.67 113.76 3pcb s ASP 420 Ca 0.61 -0.61 0.29 0.00 -0.52 0.00 0.00 52.55 52.31 3pcb s ASP 420 Cb -0.14 -1.84 1.56 0.00 -1.46 0.00 0.00 42.92 41.04 3pcb s ASP 420 CO 0.44 -0.14 1.86 1.55 0.52 0.00 0.00 175.17 179.40 3pcb h PRO 421 N 8.19 0.00 -0.45 4.34 0.13 -1.97 -1.51 132.00 140.73 3pcb h PRO 421 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 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 -2.58 3.24 -4.02 1.44 4.13 -1.26 -4.97 115.26 111.23 3pcb n ASN 422 Ca -0.02 -2.02 -0.24 0.00 1.68 0.00 0.00 54.58 53.98 3pcb n ASN 422 Cb 0.16 -0.31 -0.16 0.00 -1.54 0.00 0.00 39.78 37.92 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 -1.04 1.36 -0.24 3.10 5.36 -0.57 -4.34 117.98 121.61 3pcb s PHE 423 Ca 0.31 -0.46 -0.15 0.00 -0.96 0.00 0.00 56.93 55.66 3pcb s PHE 423 Cb 0.16 -1.00 -0.10 0.00 -0.34 0.00 0.00 43.02 41.75 3pcb s PHE 423 CO 0.20 -0.23 -0.35 0.41 -1.46 0.00 0.00 175.22 173.79 3pcb n GLY 424 N 3.68 -0.47 0.30 13.12 0.00 -1.26 -4.66 105.19 115.89 3pcb n GLY 424 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.35 1.41 3.09 -0.02 0.00 -1.26 -4.50 105.19 105.26 3pcb n GLY 425 Ca -0.42 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 0.96 0.18 1.61 1.01 -1.26 -1.06 120.40 119.85 3pcb s VAL 426 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3pcb s VAL 426 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3pcb s VAL 426 CO 0.00 0.20 0.37 -0.83 0.00 0.00 0.00 175.10 174.84 3pcb s GLY 427 N -0.48 0.33 -0.09 4.51 0.00 -0.39 -4.79 107.32 106.41 3pcb s GLY 427 Ca 0.04 -0.70 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 3pcb s GLY 427 CO -0.00 -0.66 0.59 1.09 0.00 0.00 0.00 173.10 174.12 3pcb s ARG 428 N -3.95 0.90 -0.21 2.90 1.70 -0.80 -1.33 118.95 118.16 3pcb s ARG 428 Ca 0.15 0.33 -0.18 0.00 -0.47 0.00 0.00 55.73 55.57 3pcb s ARG 428 Cb 0.02 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 34.88 3pcb s ARG 428 CO 0.00 -0.24 0.55 0.00 -1.08 0.00 0.00 175.30 174.53 3pcb s LEU 430 N 0.56 4.14 0.69 0.00 2.96 -1.26 -0.73 118.68 125.04 3pcb s LEU 430 Ca -0.02 0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 54.13 3pcb s LEU 430 Cb -0.04 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.26 3pcb s LEU 430 CO -0.03 -0.05 1.23 0.42 -1.32 0.00 0.00 176.35 176.60 3pcb s THR 431 N 1.29 2.30 0.40 3.68 -4.23 -0.10 -4.85 115.64 114.13 3pcb s THR 431 Ca 0.16 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 3pcb s THR 431 Cb -0.14 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 70.94 3pcb s THR 431 CO 0.07 -0.07 0.55 -0.90 -0.54 0.00 0.00 174.62 173.74 3pcb n ASP 432 N -2.39 0.34 0.31 3.99 5.68 -0.68 -1.23 116.55 122.57 3pcb n ASP 432 Ca 0.14 -1.38 0.18 0.00 -0.50 0.00 0.00 54.79 53.23 3pcb n ASP 432 Cb 0.50 -0.39 1.03 0.00 -1.14 0.00 0.00 41.12 41.11 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 -0.55 0.00 -0.11 -1.12 0.02 -1.94 -1.21 113.55 108.63 3pcb h SER 433 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3pcb h SER 433 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3pcb h SER 433 CO 0.16 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.32 3pcb n ASP 434 N -3.51 3.07 0.00 3.07 8.00 -1.26 -4.68 116.55 121.23 3pcb n ASP 434 Ca -0.03 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3pcb n ASP 434 Cb 0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.35 0.67 3.81 0.44 0.00 -0.46 -4.73 105.19 106.27 3pcb n GLY 435 Ca 0.15 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 3.70 0.06 1.61 2.02 -1.26 0.06 117.35 121.54 3pcb s TYR 436 Ca 0.00 1.43 -0.02 0.00 -0.37 0.00 0.00 57.07 58.12 3pcb s TYR 436 Cb 0.00 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.88 3pcb s TYR 436 CO 0.00 0.37 -0.01 1.52 -1.57 0.00 0.00 175.55 175.87 3pcb s TYR 437 N -1.44 0.52 -0.05 2.71 -0.85 -0.84 -1.69 117.35 115.71 3pcb s TYR 437 Ca 0.41 -1.05 -0.29 0.00 -0.52 0.00 0.00 57.07 55.62 3pcb s TYR 437 Cb -0.18 -0.37 0.09 0.00 0.38 0.00 0.00 41.96 41.88 3pcb s TYR 437 CO 0.22 -0.40 0.77 -1.54 -1.52 0.00 0.00 175.55 173.07 3pcb s SER 438 N -2.93 -0.55 0.07 -0.18 1.04 -1.26 -2.66 113.70 107.24 3pcb s SER 438 Ca 0.08 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.98 3pcb s SER 438 Cb 0.08 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3pcb s SER 438 CO -0.09 -0.59 -0.03 -0.36 0.98 0.00 0.00 173.24 173.15 3pcb s PHE 439 N -1.70 0.64 -0.10 5.02 0.08 0.36 -4.90 117.98 117.39 3pcb s PHE 439 Ca -0.06 -1.06 -0.00 0.00 0.12 0.00 0.00 56.93 55.93 3pcb s PHE 439 Cb -0.00 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3pcb s PHE 439 CO 0.03 -0.35 -0.06 0.50 -0.10 0.00 0.00 175.22 175.24 3pcb s ARG 440 N -3.92 1.27 0.00 0.44 3.52 -1.01 -0.85 118.95 118.40 3pcb s ARG 440 Ca 0.10 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3pcb s ARG 440 Cb 0.07 -1.38 0.00 0.00 -1.56 0.00 0.00 34.95 32.09 3pcb s ARG 440 CO -0.08 -0.24 0.00 -2.37 -0.81 0.00 0.00 175.30 171.80 3pcb n THR 441 N 4.85 0.00 -4.43 4.11 5.66 -0.15 -0.25 114.28 124.07 3pcb n THR 441 Ca -0.13 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 3pcb n THR 441 Cb 0.50 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.48 2.22 -0.04 1.09 -5.25 -1.26 -1.38 121.20 114.10 3pcb s ILE 442 Ca 0.00 -1.72 -0.30 0.00 -0.99 0.00 0.00 60.65 57.64 3pcb s ILE 442 Cb 0.00 -1.96 -0.05 0.00 2.95 0.00 0.00 42.46 43.40 3pcb s ILE 442 CO 0.00 0.10 1.47 -0.75 -1.79 0.00 0.00 174.94 173.98 3pcb s LYS 443 N -1.98 4.24 0.66 0.37 2.20 -0.09 -4.91 119.74 120.22 3pcb s LYS 443 Ca 0.13 2.01 -0.15 0.00 -0.36 0.00 0.00 55.97 57.61 3pcb s LYS 443 Cb -0.10 -3.73 -0.00 0.00 -1.51 0.00 0.00 37.83 32.49 3pcb s LYS 443 CO 0.06 -0.69 1.10 -1.25 -0.36 0.00 0.00 175.35 174.21 3pcb s PRO 444 N 3.10 2.82 0.29 4.03 0.04 -1.26 -4.15 135.00 139.87 3pcb s PRO 444 Ca 0.66 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.09 3pcb s PRO 444 Cb -0.31 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3pcb s PRO 444 CO 0.26 -1.23 0.44 0.20 0.04 0.00 0.00 177.00 176.71 3pcb s GLY 445 N -2.66 1.30 0.87 0.56 0.00 -0.76 -4.69 107.32 101.94 3pcb s GLY 445 Ca 0.66 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 3pcb s GLY 445 CO 0.42 -1.13 1.09 2.56 0.00 0.00 0.00 173.10 176.05 3pcb s PRO 446 N -4.12 1.50 -0.05 2.90 0.04 -1.26 -4.13 135.00 129.88 3pcb s PRO 446 Ca 0.37 0.75 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 3pcb s PRO 446 Cb -0.09 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.64 3pcb s PRO 446 CO 0.32 -2.06 0.42 1.52 0.04 0.00 0.00 177.00 177.24 3pcb s TYR 447 N -3.01 -0.34 0.60 0.56 -0.85 -1.14 -4.21 117.35 108.95 3pcb s TYR 447 Ca 0.63 0.63 -0.13 0.00 -0.52 0.00 0.00 57.07 57.68 3pcb s TYR 447 Cb -0.17 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 3pcb s TYR 447 CO 0.56 -0.41 1.03 -1.25 -1.52 0.00 0.00 175.55 173.95 3pcb s PRO 448 N -1.01 3.56 0.04 -3.49 0.04 -1.26 -0.40 135.00 132.48 3pcb s PRO 448 Ca -0.11 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 3pcb s PRO 448 Cb -0.04 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.48 3pcb s PRO 448 CO 0.05 -0.60 0.52 1.67 0.04 0.00 0.00 177.00 178.68 3pcb s TRP 449 N -2.97 -0.42 -1.23 0.56 1.48 -1.05 -4.88 118.94 110.43 3pcb s TRP 449 Ca 0.57 0.49 -0.20 0.00 -1.06 0.00 0.00 56.10 55.90 3pcb s TRP 449 Cb -0.12 0.33 0.02 0.00 -1.16 0.00 0.00 33.47 32.55 3pcb s TRP 449 CO 0.47 -0.63 1.77 1.03 -4.06 0.00 0.00 176.95 175.53 3pcb s ARG 450 N -2.34 3.52 0.00 3.25 0.52 -1.26 -4.38 118.95 118.27 3pcb s ARG 450 Ca -0.06 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 3pcb s ARG 450 Cb -0.01 -5.43 0.00 0.00 0.52 0.00 0.00 34.95 30.03 3pcb s ARG 450 CO -0.01 -2.73 0.00 -1.71 0.02 0.00 0.00 175.30 170.87 3pcb n ASN 451 N 10.14 0.00 -4.64 0.23 5.15 -1.26 -5.04 115.26 119.84 3pcb n ASN 451 Ca 0.46 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 54.18 3pcb n ASN 451 Cb 0.47 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.83 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 -0.62 1.73 0.35 8.20 0.00 -1.26 -4.96 107.32 110.76 3pcb s GLY 452 Ca 0.00 -1.22 0.25 0.00 0.00 0.00 0.00 44.72 43.75 3pcb s GLY 452 CO 0.00 -0.68 1.77 -2.55 0.00 0.00 0.00 173.10 171.65 3pcb h PRO 453 N -0.86 0.00 -0.86 2.90 0.11 -1.97 -3.28 132.00 128.04 3pcb h PRO 453 Ca -0.42 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.35 3pcb h PRO 453 Cb 1.28 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.08 3pcb h PRO 453 CO 0.49 0.00 -0.91 -1.71 -0.21 0.00 0.00 178.00 175.65 3pcb n ASN 454 N -2.39 0.09 -4.86 -2.05 5.15 -1.26 -5.10 115.26 104.83 3pcb n ASN 454 Ca -0.00 -2.83 -0.37 0.00 -0.60 0.00 0.00 54.58 50.78 3pcb n ASN 454 Cb 0.13 0.10 -0.06 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.31 6.63 -0.04 1.20 1.01 -1.24 -5.08 116.67 116.84 3pcb s ASP 455 Ca 0.28 0.75 -0.00 0.00 0.71 0.00 0.00 52.55 54.29 3pcb s ASP 455 Cb 0.40 -2.17 0.03 0.00 1.01 0.00 0.00 42.92 42.19 3pcb s ASP 455 CO -0.03 0.32 -0.00 0.26 0.21 0.00 0.00 175.17 175.93 3pcb s TRP 456 N -1.13 0.45 0.23 4.23 0.52 -1.26 -2.53 118.94 119.45 3pcb s TRP 456 Ca 0.23 -0.05 -0.30 0.00 0.02 0.00 0.00 56.10 56.00 3pcb s TRP 456 Cb -0.15 -0.54 -0.09 0.00 -1.15 0.00 0.00 33.47 31.55 3pcb s TRP 456 CO 0.12 -0.19 1.01 1.03 0.02 0.00 0.00 176.95 178.94 3pcb s ARG 457 N 1.28 4.74 0.67 4.98 1.81 0.46 -4.77 118.95 128.12 3pcb s ARG 457 Ca -0.06 1.62 -0.15 0.00 -1.72 0.00 0.00 55.73 55.42 3pcb s ARG 457 Cb -0.13 -3.26 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 3pcb s ARG 457 CO -0.02 0.34 1.12 -2.14 -0.68 0.00 0.00 175.30 173.92 3pcb s PRO 458 N -1.07 2.71 0.24 3.54 0.02 -1.26 -2.90 135.00 136.28 3pcb s PRO 458 Ca 0.44 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 3pcb s PRO 458 Cb -0.28 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.16 3pcb s PRO 458 CO 0.35 -1.33 1.20 0.00 -0.33 0.00 0.00 177.00 176.89 3pcb n ALA 459 N -2.47 0.14 -3.35 -1.55 0.00 -1.26 -4.76 120.51 107.25 3pcb n ALA 459 Ca 0.11 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 3pcb n ALA 459 Cb 0.52 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.51 -0.48 -0.11 0.00 -3.43 -1.26 -4.13 115.29 105.37 3pcb s HIS 460 Ca 0.65 0.47 0.01 0.00 -0.80 0.00 0.00 55.06 55.39 3pcb s HIS 460 Cb -0.72 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 30.83 3pcb s HIS 460 CO 0.55 -0.71 -0.14 0.42 -2.00 0.00 0.00 174.74 172.85 3pcb s ILE 461 N -2.83 2.97 0.12 -5.38 1.01 -0.48 -4.66 121.20 111.96 3pcb s ILE 461 Ca -0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 3pcb s ILE 461 Cb -0.00 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 3pcb s ILE 461 CO -0.05 0.54 0.71 -1.00 0.00 0.00 0.00 174.94 175.14 3pcb s HIS 462 N 0.15 3.86 0.02 3.97 3.76 -0.28 -0.99 115.29 125.78 3pcb s HIS 462 Ca -0.08 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.38 3pcb s HIS 462 Cb -0.15 -2.69 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 3pcb s HIS 462 CO 0.05 0.51 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.25 3pcb s PHE 463 N -1.00 1.22 -0.07 1.40 0.40 0.13 -2.13 117.98 117.93 3pcb s PHE 463 Ca 0.34 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 3pcb s PHE 463 Cb -0.22 -0.74 0.02 0.00 0.51 0.00 0.00 43.02 42.59 3pcb s PHE 463 CO 0.24 0.02 -0.09 0.20 0.70 0.00 0.00 175.22 176.28 3pcb s GLY 464 N -0.88 0.72 -0.08 4.36 0.00 -0.19 -0.21 107.32 111.04 3pcb s GLY 464 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.41 3pcb s GLY 464 CO 0.01 0.33 -0.13 -0.42 0.00 0.00 0.00 173.10 172.89 3pcb s ILE 465 N 0.94 1.24 -0.06 0.90 1.09 0.17 -1.29 121.20 124.18 3pcb s ILE 465 Ca -0.10 -0.52 -0.10 0.00 -1.10 0.00 0.00 60.65 58.83 3pcb s ILE 465 Cb -0.15 -1.14 -0.06 0.00 -1.06 0.00 0.00 42.46 40.06 3pcb s ILE 465 CO 0.01 0.38 0.39 0.77 -0.10 0.00 0.00 174.94 176.39 3pcb h SER 466 N 7.12 -0.25 -3.80 3.58 4.64 -1.65 0.69 113.55 123.88 3pcb h SER 466 Ca -0.30 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 3pcb h SER 466 Cb 1.18 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3pcb h SER 466 CO 0.47 0.23 -0.09 0.61 -0.87 0.00 0.00 176.83 177.18 3pcb n GLY 467 N 0.99 -2.16 0.03 -0.77 0.00 -1.26 -2.65 105.19 99.38 3pcb n GLY 467 Ca -0.04 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.49 0.05 -3.92 1.61 -0.04 -1.26 -4.88 135.00 125.08 3pcb n PRO 468 Ca 0.00 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 3pcb n PRO 468 Cb 0.11 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.97 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 -3.34 0.22 0.47 3.54 1.04 -1.26 -3.54 113.70 110.83 3pcb s SER 469 Ca 0.07 -1.15 0.27 0.00 0.48 0.00 0.00 55.95 55.62 3pcb s SER 469 Cb 0.10 0.75 0.80 0.00 0.10 0.00 0.00 66.02 67.77 3pcb s SER 469 CO 0.32 -1.47 1.77 0.16 0.98 0.00 0.00 173.24 175.00 3pcb h ILE 470 N 2.06 0.14 0.00 -1.02 3.07 -1.43 -2.74 117.51 117.59 3pcb h ILE 470 Ca -0.29 -0.91 -0.08 0.00 1.55 0.00 0.00 64.86 65.13 3pcb h ILE 470 Cb 1.25 1.81 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 3pcb h ILE 470 CO 0.37 0.07 -0.38 0.00 -1.05 0.00 0.00 178.15 177.16 3pcb h ALA 471 N 1.93 1.16 0.00 0.16 0.00 -1.76 -3.21 119.26 117.53 3pcb h ALA 471 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3pcb h ALA 471 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3pcb h ALA 471 CO 0.01 0.47 -1.34 0.25 0.00 0.00 0.00 179.25 178.64 3pcb n THR 472 N -3.77 0.32 -1.60 0.00 -2.24 -1.08 -4.94 114.28 100.96 3pcb n THR 472 Ca -0.01 -0.47 -0.47 0.00 -2.27 0.00 0.00 64.05 60.83 3pcb n THR 472 Cb 0.45 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.39 1.41 -3.77 -0.78 3.00 -1.06 -4.75 118.16 109.83 3pcb n LYS 473 Ca -0.01 0.50 -0.13 0.00 -0.00 0.00 0.00 58.31 58.67 3pcb n LYS 473 Cb 0.53 -2.03 -0.10 0.00 0.00 0.00 0.00 35.03 33.43 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 0.48 0.85 -0.07 3.14 2.96 0.24 -5.01 118.68 121.27 3pcb s LEU 474 Ca 0.70 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 3pcb s LEU 474 Cb -0.78 1.14 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 3pcb s LEU 474 CO 0.52 -0.25 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.45 3pcb s ILE 475 N -0.48 2.27 0.14 6.68 1.01 -1.26 0.44 121.20 130.00 3pcb s ILE 475 Ca -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 3pcb s ILE 475 Cb -0.04 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.60 3pcb s ILE 475 CO 0.02 0.57 0.24 1.07 0.00 0.00 0.00 174.94 176.83 3pcb n THR 476 N 3.05 0.00 -3.80 2.92 5.66 0.70 -5.00 114.28 117.81 3pcb n THR 476 Ca -0.18 -0.51 -0.13 0.00 -3.05 0.00 0.00 64.05 60.18 3pcb n THR 476 Cb 0.52 0.39 -0.13 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.16 0.12 -0.14 1.09 -0.21 -1.26 -0.69 119.66 116.40 3pcb s GLN 477 Ca 0.08 0.22 -0.09 0.00 0.02 0.00 0.00 55.36 55.60 3pcb s GLN 477 Cb -0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 3pcb s GLN 477 CO 0.06 -0.07 0.16 -1.17 -2.12 0.00 0.00 175.29 172.16 3pcb s LEU 478 N 0.42 4.33 0.28 2.90 0.20 -0.16 -4.84 118.68 121.82 3pcb s LEU 478 Ca -0.03 0.43 0.09 0.00 0.69 0.00 0.00 54.13 55.32 3pcb s LEU 478 Cb -0.04 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 3pcb s LEU 478 CO -0.02 0.32 0.01 -0.31 -0.29 0.00 0.00 176.35 176.06 3pcb s TYR 479 N -0.53 2.68 -0.16 5.38 2.02 0.40 -1.38 117.35 125.76 3pcb s TYR 479 Ca 0.14 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 3pcb s TYR 479 Cb -0.12 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3pcb s TYR 479 CO 0.03 0.57 0.09 -0.06 -1.57 0.00 0.00 175.55 174.61 3pcb s PHE 480 N -2.36 3.37 0.04 2.71 0.40 -1.26 0.11 117.98 120.98 3pcb s PHE 480 Ca 0.33 0.27 -0.36 0.00 -0.60 0.00 0.00 56.93 56.56 3pcb s PHE 480 Cb -0.05 -2.02 -0.15 0.00 0.51 0.00 0.00 43.02 41.31 3pcb s PHE 480 CO 0.20 0.38 1.51 -1.91 0.70 0.00 0.00 175.22 176.11 3pcb n GLU 481 N 2.92 1.51 -0.11 0.44 2.13 -0.79 -1.89 120.64 124.84 3pcb n GLU 481 Ca -0.18 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3pcb n GLU 481 Cb 0.53 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 3.18 1.76 3.61 8.31 0.00 -1.26 -4.98 105.19 115.81 3pcb n GLY 482 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 3pcb n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pcb n ASP 483 N 0.00 3.22 0.31 1.61 -0.08 -0.79 -4.86 116.55 115.95 3pcb n ASP 483 Ca 0.00 0.68 0.19 0.00 -1.51 0.00 0.00 54.79 54.15 3pcb n ASP 483 Cb 0.00 -1.41 0.97 0.00 2.34 0.00 0.00 41.12 43.02 3pcb n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pcb h PRO 484 N 11.33 0.00 0.00 -0.67 0.13 -1.95 -2.75 132.00 138.09 3pcb h PRO 484 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 3pcb h PRO 484 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3pcb h PRO 484 CO 0.96 0.02 -0.55 -0.07 -0.23 0.00 0.00 178.00 178.13 3pcb h LEU 485 N 0.00 0.00 -0.60 1.56 3.38 -1.95 -3.37 115.31 114.33 3pcb h LEU 485 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3pcb h LEU 485 Cb 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 3pcb h LEU 485 CO 0.00 0.55 -0.32 0.40 0.09 0.00 0.00 178.44 179.17 3pcb h ILE 486 N 0.00 0.18 0.00 1.22 2.04 -1.87 -1.37 117.51 117.71 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 1.13 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3pcb h ILE 486 CO 0.07 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.41 3pcb n PRO 487 N -5.44 0.02 0.02 2.37 -0.04 -1.26 -2.18 135.00 128.50 3pcb n PRO 487 Ca 0.05 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 3pcb n PRO 487 Cb 0.36 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3pcb n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pcb n MET 488 N -1.59 0.25 -2.47 0.54 2.81 -0.53 -4.93 117.12 111.20 3pcb n MET 488 Ca 0.03 -0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 3pcb n MET 488 Cb 0.17 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.08 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 7.89 0.12 -0.13 0.00 0.11 -1.89 0.48 132.00 138.58 3pcb h PRO 490 Ca -0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 3pcb h PRO 490 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3pcb h PRO 490 CO 0.95 0.34 -0.30 0.82 -0.21 0.00 0.00 178.00 179.60 3pcb h ILE 491 N 0.12 1.37 -0.52 4.15 2.04 -1.91 -1.95 117.51 120.80 3pcb h ILE 491 Ca 0.02 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3pcb h ILE 491 Cb 0.46 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 3pcb h ILE 491 CO 0.03 0.47 0.27 0.58 0.00 0.00 0.00 178.15 179.50 3pcb h VAL 492 N 0.02 1.19 0.00 1.67 2.07 -1.78 -1.64 116.25 117.77 3pcb h VAL 492 Ca -0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3pcb h VAL 492 Cb 0.90 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3pcb h VAL 492 CO 0.07 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.15 3pcb n LYS 493 N -4.62 0.06 0.27 1.57 5.02 0.17 -1.76 118.16 118.88 3pcb n LYS 493 Ca 0.02 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 3pcb n LYS 493 Cb 0.10 -1.50 0.78 0.00 -0.02 0.00 0.00 35.03 34.39 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 -3.49 4.39 4.64 -0.48 -3.37 113.55 115.24 3pcb h SER 494 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3pcb h SER 494 Cb 0.12 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.12 3pcb h SER 494 CO 0.00 0.08 0.65 -0.63 -0.87 0.00 0.00 176.83 176.06 3pcb s ILE 495 N -4.40 4.55 0.21 0.95 1.01 -0.72 -3.77 121.20 119.03 3pcb s ILE 495 Ca -0.04 1.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 3pcb s ILE 495 Cb 0.14 -4.37 0.06 0.00 0.01 0.00 0.00 42.46 38.30 3pcb s ILE 495 CO 0.58 -0.58 1.66 0.00 0.00 0.00 0.00 174.94 176.60 3pcb h ALA 496 N 8.51 0.91 -2.81 9.38 0.00 -1.85 -3.44 119.26 129.95 3pcb h ALA 496 Ca -0.23 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 3pcb h ALA 496 Cb 1.07 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 3pcb h ALA 496 CO 1.00 0.63 -0.18 1.21 0.00 0.00 0.00 179.25 181.91 3pcb s ASN 497 N -6.69 6.41 0.40 0.00 3.04 -1.26 -4.99 114.94 111.86 3pcb s ASN 497 Ca -0.10 0.49 0.11 0.00 0.04 0.00 0.00 52.86 53.40 3pcb s ASN 497 Cb 0.13 -2.24 0.92 0.00 -1.54 0.00 0.00 41.25 38.53 3pcb s ASN 497 CO 0.84 -0.12 1.95 1.55 -3.04 0.00 0.00 177.10 178.28 3pcb h PRO 498 N 7.56 0.53 -0.21 0.43 0.13 -2.00 0.12 132.00 138.56 3pcb h PRO 498 Ca -0.35 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3pcb h PRO 498 Cb 1.16 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3pcb h PRO 498 CO 0.71 0.35 -0.06 0.93 -0.23 0.00 0.00 178.00 179.69 3pcb h GLU 499 N 0.54 0.33 -0.19 0.86 3.07 -1.99 -2.28 114.58 114.92 3pcb h GLU 499 Ca 0.32 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.91 3pcb h GLU 499 Cb 0.53 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3pcb h GLU 499 CO -0.11 0.41 -0.69 0.00 -1.40 0.00 0.00 179.01 177.23 3pcb h ALA 500 N 1.63 0.41 -0.92 3.43 0.00 -1.11 -3.05 119.26 119.65 3pcb h ALA 500 Ca 0.07 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3pcb h ALA 500 Cb 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3pcb h ALA 500 CO 0.01 0.69 0.58 0.28 0.00 0.00 0.00 179.25 180.81 3pcb h VAL 501 N 0.56 1.06 -0.93 0.00 2.07 -1.15 -1.89 116.25 115.97 3pcb h VAL 501 Ca -0.03 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.25 3pcb h VAL 501 Cb 1.30 -0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3pcb h VAL 501 CO 0.14 0.19 0.59 1.56 0.02 0.00 0.00 177.57 180.08 3pcb h GLN 502 N 1.05 0.83 -0.02 1.57 1.08 -1.31 -1.05 115.11 117.27 3pcb h GLN 502 Ca 0.40 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.55 3pcb h GLN 502 Cb 0.17 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3pcb h GLN 502 CO -0.17 0.55 0.05 1.96 -0.95 0.00 0.00 178.83 180.27 3pcb h GLN 503 N 0.86 0.00 -0.01 1.46 4.20 -1.35 -1.96 115.11 118.31 3pcb h GLN 503 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3pcb h GLN 503 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3pcb h GLN 503 CO -0.22 0.00 -0.24 1.28 -0.67 0.00 0.00 178.83 178.98 3pcb n LEU 504 N -3.35 1.12 -4.54 1.46 4.77 -0.40 -4.88 117.00 111.18 3pcb n LEU 504 Ca -0.02 -0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.24 3pcb n LEU 504 Cb 0.13 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3pcb n LEU 504 CO 0.22 0.21 0.09 -0.63 -1.33 0.00 0.00 177.39 175.95 3pcb s ILE 505 N -2.45 5.12 0.36 -0.08 1.01 -0.74 -0.45 121.20 123.97 3pcb s ILE 505 Ca 0.25 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.72 3pcb s ILE 505 Cb 0.19 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3pcb s ILE 505 CO 0.50 -0.15 1.17 0.00 0.00 0.00 0.00 174.94 176.46 3pcb s ALA 506 N 2.12 3.27 -0.11 9.38 0.00 0.12 -4.83 121.76 131.70 3pcb s ALA 506 Ca 0.14 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 3pcb s ALA 506 Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3pcb s ALA 506 CO 0.12 -0.44 0.07 0.15 0.00 0.00 0.00 175.76 175.66 3pcb s LYS 507 N -2.03 3.27 0.20 0.00 -0.14 -0.97 -1.88 119.74 118.19 3pcb s LYS 507 Ca 0.53 -0.26 -0.32 0.00 -1.36 0.00 0.00 55.97 54.55 3pcb s LYS 507 Cb -0.32 -3.01 -0.13 0.00 -1.68 0.00 0.00 37.83 32.69 3pcb s LYS 507 CO 0.41 0.72 1.63 -0.11 -0.76 0.00 0.00 175.35 177.24 3pcb n LEU 508 N 2.14 3.61 -3.77 3.17 7.94 -1.26 -1.17 117.00 127.66 3pcb n LEU 508 Ca -0.19 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 3pcb n LEU 508 Cb 0.54 -1.51 -0.12 0.00 0.53 0.00 0.00 43.42 42.86 3pcb n LEU 508 CO 0.30 -0.06 -0.18 -0.62 -1.11 0.00 0.00 177.39 175.72 3pcb s ASP 509 N 0.93 3.83 0.47 1.96 2.15 0.33 -4.85 116.67 121.48 3pcb s ASP 509 Ca 0.75 -3.15 0.12 0.00 0.43 0.00 0.00 52.55 50.70 3pcb s ASP 509 Cb -0.58 -1.25 1.08 0.00 -0.30 0.00 0.00 42.92 41.86 3pcb s ASP 509 CO 0.37 -0.19 2.10 0.24 -0.17 0.00 0.00 175.17 177.53 3pcb h MET 510 N 6.11 0.25 0.00 4.34 2.86 -1.92 -2.16 114.93 124.41 3pcb h MET 510 Ca 0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3pcb h MET 510 Cb 0.86 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3pcb h MET 510 CO 0.58 0.17 -0.13 -0.91 1.06 0.00 0.00 176.91 177.67 3pcb h ASN 511 N 0.26 0.00 0.07 1.22 2.35 -1.94 -2.90 115.58 114.64 3pcb h ASN 511 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3pcb h ASN 511 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3pcb h ASN 511 CO -0.02 0.13 -0.66 -3.20 -1.65 0.00 0.00 177.43 172.04 3pcb n ASN 512 N -4.22 1.35 -4.75 5.81 5.15 -0.82 -4.97 115.26 112.80 3pcb n ASN 512 Ca -0.02 -1.11 -0.32 0.00 -0.60 0.00 0.00 54.58 52.53 3pcb n ASN 512 Cb 0.21 0.62 0.09 0.00 -0.53 0.00 0.00 39.78 40.17 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 -2.74 2.19 -0.41 5.20 0.00 -1.10 -4.79 121.76 120.11 3pcb s ALA 513 Ca 0.14 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 3pcb s ALA 513 Cb 0.17 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 20.04 3pcb s ALA 513 CO 0.70 -1.79 0.24 -0.80 0.00 0.00 0.00 175.76 174.11 3pcb s ASN 514 N -2.98 5.60 0.19 0.00 0.01 0.09 -5.00 114.94 112.86 3pcb s ASN 514 Ca 0.64 -1.45 -0.31 0.00 -0.71 0.00 0.00 52.86 51.03 3pcb s ASN 514 Cb -0.20 -1.97 -0.16 0.00 0.41 0.00 0.00 41.25 39.33 3pcb s ASN 514 CO 0.52 -0.51 0.95 -2.65 -1.51 0.00 0.00 177.10 173.90 3pcb n PRO 515 N 4.90 0.77 -1.73 -0.60 -0.02 -1.26 -0.39 135.00 136.67 3pcb n PRO 515 Ca -0.10 0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 61.45 3pcb n PRO 515 Cb 0.43 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.29 -1.46 0.03 -0.52 2.81 -1.26 -4.72 117.12 113.29 3pcb n MET 516 Ca 0.15 1.18 0.00 0.00 -1.81 0.00 0.00 57.70 57.22 3pcb n MET 516 Cb 0.25 -5.60 0.00 0.00 -0.71 0.00 0.00 33.22 27.16 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 -1.41 -0.03 -3.73 7.83 2.03 0.48 -5.15 116.55 116.56 3pcb n ASP 517 Ca -0.21 0.10 -0.12 0.00 0.52 0.00 0.00 54.79 55.08 3pcb n ASP 517 Cb 0.68 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 41.09 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 -1.84 2.75 -0.07 0.00 1.43 -0.88 -0.73 118.68 119.35 3pcb s LEU 519 Ca -0.07 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 3pcb s LEU 519 Cb -0.02 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3pcb s LEU 519 CO -0.01 -1.94 0.29 0.00 0.23 0.00 0.00 176.35 174.92 3pcb s ALA 520 N -3.44 -0.72 0.03 4.21 0.00 -1.26 -1.56 121.76 119.02 3pcb s ALA 520 Ca 0.64 0.58 0.05 0.00 0.00 0.00 0.00 51.96 53.24 3pcb s ALA 520 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3pcb s ALA 520 CO 0.47 -0.19 -0.16 0.71 0.00 0.00 0.00 175.76 176.60 3pcb s TYR 521 N -0.48 1.37 -0.17 0.00 1.51 -0.63 0.12 117.35 119.07 3pcb s TYR 521 Ca -0.06 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3pcb s TYR 521 Cb -0.04 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3pcb s TYR 521 CO 0.02 0.03 -0.06 0.50 -1.11 0.00 0.00 175.55 174.93 3pcb s ARG 522 N -0.94 3.54 -0.24 -0.62 6.06 -0.31 -1.79 118.95 124.63 3pcb s ARG 522 Ca 0.04 -0.58 -0.04 0.00 -2.50 0.00 0.00 55.73 52.64 3pcb s ARG 522 Cb -0.07 -2.89 0.09 0.00 0.06 0.00 0.00 34.95 32.13 3pcb s ARG 522 CO 0.01 0.11 0.13 0.12 -2.50 0.00 0.00 175.30 173.17 3pcb s PHE 523 N 0.67 0.22 0.16 5.12 5.36 0.20 -2.29 117.98 127.42 3pcb s PHE 523 Ca -0.03 -0.60 -0.09 0.00 -0.96 0.00 0.00 56.93 55.25 3pcb s PHE 523 Cb -0.15 -0.79 -0.06 0.00 -0.34 0.00 0.00 43.02 41.68 3pcb s PHE 523 CO 0.02 -0.71 0.46 -0.51 -1.46 0.00 0.00 175.22 173.02 3pcb s ASP 524 N 2.13 6.61 -0.04 6.13 1.01 -1.26 -3.88 116.67 127.38 3pcb s ASP 524 Ca 0.06 0.81 0.05 0.00 0.71 0.00 0.00 52.55 54.18 3pcb s ASP 524 Cb -0.16 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 3pcb s ASP 524 CO -0.26 0.05 -0.18 -0.63 0.21 0.00 0.00 175.17 174.36 3pcb s ILE 525 N -1.63 1.47 -0.22 0.77 1.01 -0.06 -4.92 121.20 117.63 3pcb s ILE 525 Ca 0.41 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3pcb s ILE 525 Cb -0.13 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3pcb s ILE 525 CO 0.21 0.42 -0.02 -0.69 0.00 0.00 0.00 174.94 174.86 3pcb s VAL 526 N -0.10 3.59 0.35 2.92 1.01 -1.26 -1.07 120.40 125.85 3pcb s VAL 526 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3pcb s VAL 526 Cb -0.10 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 3pcb s VAL 526 CO 0.01 0.42 0.41 -0.76 0.00 0.00 0.00 175.10 175.18 3pcb s LEU 527 N 1.37 3.74 0.34 3.92 1.43 0.39 -4.93 118.68 124.95 3pcb s LEU 527 Ca 0.04 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 3pcb s LEU 527 Cb -0.14 -2.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.47 3pcb s LEU 527 CO -0.01 -0.46 1.26 0.54 0.23 0.00 0.00 176.35 177.90 3pcb n ARG 528 N -1.56 2.03 -2.15 1.70 1.74 -1.26 -1.02 116.66 116.14 3pcb n ARG 528 Ca 0.01 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 3pcb n ARG 528 Cb 0.59 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.36 2.80 -0.15 -0.13 0.00 -1.26 -4.24 107.32 103.98 3pcb s GLY 529 Ca 0.56 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 46.46 3pcb s GLY 529 CO 0.62 1.96 -0.05 1.62 0.00 0.00 0.00 173.10 177.25 3pcb s GLN 530 N -1.21 3.63 0.07 2.90 0.74 -1.26 0.14 119.66 124.67 3pcb s GLN 530 Ca 0.52 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3pcb s GLN 530 Cb -0.39 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 3pcb s GLN 530 CO 0.47 0.23 -0.05 -0.98 -0.55 0.00 0.00 175.29 174.41 3pcb s ARG 531 N 0.38 0.72 0.57 1.67 1.70 -0.27 -4.97 118.95 118.75 3pcb s ARG 531 Ca -0.05 -1.26 -0.16 0.00 -0.47 0.00 0.00 55.73 53.80 3pcb s ARG 531 Cb -0.14 -0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.17 3pcb s ARG 531 CO 0.03 -0.06 1.03 -1.59 -1.08 0.00 0.00 175.30 173.64 3pcb s LYS 532 N -3.78 3.52 0.56 3.89 -2.85 -1.26 -0.92 119.74 118.90 3pcb s LYS 532 Ca 0.09 1.12 -0.16 0.00 -1.00 0.00 0.00 55.97 56.02 3pcb s LYS 532 Cb 0.06 -2.07 -0.06 0.00 -2.06 0.00 0.00 37.83 33.71 3pcb s LYS 532 CO -0.07 -0.64 1.02 0.95 0.10 0.00 0.00 175.35 176.72 3pcb s THR 533 N -2.51 4.15 -0.03 3.79 -4.23 -1.24 -4.73 115.64 110.85 3pcb s THR 533 Ca 0.62 1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 62.08 3pcb s THR 533 Cb -0.14 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.16 3pcb s THR 533 CO 0.35 -0.60 0.16 -1.38 -0.54 0.00 0.00 174.62 172.62 3pcb s HIS 534 N -2.54 -0.07 -1.40 3.99 -3.43 -1.26 -4.91 115.29 105.68 3pcb s HIS 534 Ca 0.61 0.13 -0.18 0.00 -0.80 0.00 0.00 55.06 54.83 3pcb s HIS 534 Cb -0.13 0.01 0.18 0.00 -1.43 0.00 0.00 32.58 31.20 3pcb s HIS 534 CO 0.34 -0.21 0.44 1.19 -2.00 0.00 0.00 174.74 174.50 3pcb n PHE 535 N 2.06 -0.95 1.02 0.38 3.01 -1.26 -5.25 117.46 116.47 3pcb n PHE 535 Ca -0.19 0.51 0.08 0.00 1.01 0.00 0.00 57.45 58.87 3pcb n PHE 535 Cb 0.57 -1.42 0.48 0.00 -0.01 0.00 0.00 39.48 39.10 3pcb n PHE 535 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16