#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 2.76 -0.07 0.55 0.00 -1.26 -5.06 121.76 118.68 3pcb s ALA 302 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3pcb s ALA 302 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3pcb s ALA 302 CO 0.00 -0.65 -0.19 -0.65 0.00 0.00 0.00 175.76 174.27 3pcb s GLN 303 N -3.22 2.70 -1.39 0.00 -0.21 -1.26 -5.05 119.66 111.23 3pcb s GLN 303 Ca 0.71 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 55.14 3pcb s GLN 303 Cb -0.22 -2.33 0.05 0.00 1.00 0.00 0.00 33.01 31.51 3pcb s GLN 303 CO 0.26 0.44 2.01 -3.47 -2.12 0.00 0.00 175.29 172.40 3pcb n ASP 304 N 2.83 4.36 -0.08 5.90 2.03 -1.26 -4.55 116.55 125.78 3pcb n ASP 304 Ca -0.17 -2.88 -0.08 0.00 0.52 0.00 0.00 54.79 52.18 3pcb n ASP 304 Cb 0.52 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 39.10 3pcb n ASP 304 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3pcb n ASN 305 N 7.16 1.25 -4.94 1.67 0.23 -1.26 -5.02 115.26 114.35 3pcb n ASN 305 Ca 0.51 -0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 54.36 3pcb n ASN 305 Cb 0.42 0.84 -0.01 0.00 -2.08 0.00 0.00 39.78 38.95 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 -4.92 5.41 0.05 0.53 0.01 -1.26 -3.07 113.70 110.45 3pcb s SER 306 Ca -0.08 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.68 3pcb s SER 306 Cb 0.05 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 3pcb s SER 306 CO 0.62 -0.64 -0.10 -0.13 0.41 0.00 0.00 173.24 173.41 3pcb s ARG 307 N -4.21 0.62 -0.07 12.44 1.81 0.67 -4.81 118.95 125.42 3pcb s ARG 307 Ca 0.50 -0.83 0.06 0.00 -1.72 0.00 0.00 55.73 53.73 3pcb s ARG 307 Cb -0.07 -0.46 -0.01 0.00 -0.45 0.00 0.00 34.95 33.97 3pcb s ARG 307 CO 0.30 0.09 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.71 3pcb s PHE 308 N -1.39 2.44 0.21 -0.53 0.40 -1.26 -1.20 117.98 116.65 3pcb s PHE 308 Ca -0.07 -0.79 -0.32 0.00 -0.60 0.00 0.00 56.93 55.15 3pcb s PHE 308 Cb -0.10 -1.61 -0.15 0.00 0.51 0.00 0.00 43.02 41.68 3pcb s PHE 308 CO 0.01 -0.26 1.21 0.28 0.70 0.00 0.00 175.22 177.16 3pcb n VAL 309 N 3.09 1.09 -1.95 -0.44 0.31 0.29 -4.87 118.33 115.84 3pcb n VAL 309 Ca -0.18 -0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 63.47 3pcb n VAL 309 Cb 0.52 -1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.29 2.36 0.37 2.52 -1.09 -1.26 -4.71 121.20 119.10 3pcb s ILE 310 Ca 0.69 0.36 -0.27 0.00 -2.23 0.00 0.00 60.65 59.20 3pcb s ILE 310 Cb -0.77 -3.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 3pcb s ILE 310 CO 0.53 0.08 1.28 -0.13 -1.23 0.00 0.00 174.94 175.47 3pcb s ARG 311 N -1.98 4.15 -0.63 2.79 0.52 -1.26 -4.98 118.95 117.57 3pcb s ARG 311 Ca 0.51 2.12 -0.18 0.00 -0.52 0.00 0.00 55.73 57.67 3pcb s ARG 311 Cb -0.43 -2.88 0.12 0.00 0.52 0.00 0.00 34.95 32.27 3pcb s ARG 311 CO 0.58 -0.33 0.71 0.34 0.02 0.00 0.00 175.30 176.63 3pcb s ASP 312 N -0.70 6.26 0.00 0.23 -1.08 -1.26 -4.89 116.67 115.23 3pcb s ASP 312 Ca 0.53 -1.62 0.24 0.00 -0.52 0.00 0.00 52.55 51.18 3pcb s ASP 312 Cb -0.37 -2.29 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 3pcb s ASP 312 CO 0.49 -1.04 1.84 0.54 0.52 0.00 0.00 175.17 177.52 3pcb n ARG 313 N 6.03 0.86 -0.01 4.34 1.74 -1.26 -1.99 116.66 126.37 3pcb n ARG 313 Ca -0.06 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.13 3pcb n ARG 313 Cb 0.43 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.94 0.04 -0.01 0.55 3.02 -1.26 -4.40 115.26 112.25 3pcb n ASN 314 Ca 0.18 0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.57 3pcb n ASN 314 Cb 0.08 1.93 -0.14 0.00 -0.61 0.00 0.00 39.78 41.05 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 0.26 -4.27 3.10 2.91 -1.82 -3.44 115.95 112.70 3pcb h TRP 315 Ca -0.00 -0.19 -0.51 0.00 1.13 0.00 0.00 58.89 59.32 3pcb h TRP 315 Cb 1.00 -0.01 0.09 0.00 -0.51 0.00 0.00 29.16 29.73 3pcb h TRP 315 CO 0.00 1.15 0.36 -1.01 -1.03 0.00 0.00 178.44 177.91 3pcb s HIS 316 N -2.32 2.89 0.56 2.65 3.76 -1.08 -4.72 115.29 117.03 3pcb s HIS 316 Ca -0.16 1.50 -0.20 0.00 -0.15 0.00 0.00 55.06 56.04 3pcb s HIS 316 Cb -0.01 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.63 3pcb s HIS 316 CO 0.76 -1.38 1.22 -1.25 -0.85 0.00 0.00 174.74 173.24 3pcb s PRO 317 N -4.55 3.15 0.78 8.40 0.04 -1.26 -4.81 135.00 136.75 3pcb s PRO 317 Ca 0.62 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 3pcb s PRO 317 Cb -0.16 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.38 3pcb s PRO 317 CO 0.47 -1.07 1.16 0.15 0.04 0.00 0.00 177.00 177.74 3pcb s LYS 318 N -3.15 2.19 -0.02 4.56 -0.14 -1.26 -4.98 119.74 116.95 3pcb s LYS 318 Ca 0.74 0.21 -0.25 0.00 -1.36 0.00 0.00 55.97 55.31 3pcb s LYS 318 Cb -0.31 -1.97 -0.20 0.00 -1.68 0.00 0.00 37.83 33.67 3pcb s LYS 318 CO 0.35 -1.46 1.24 0.00 -0.76 0.00 0.00 175.35 174.73 3pcb h ALA 319 N -0.96 0.04 -1.99 5.17 0.00 -1.95 -3.42 119.26 116.16 3pcb h ALA 319 Ca -0.46 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.51 3pcb h ALA 319 Cb 1.31 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 3pcb h ALA 319 CO 0.65 -0.16 0.22 -1.17 0.00 0.00 0.00 179.25 178.79 3pcb s LEU 320 N -9.11 4.71 -0.44 0.00 2.96 -1.26 -4.77 118.68 110.76 3pcb s LEU 320 Ca -0.16 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.01 3pcb s LEU 320 Cb 0.02 -2.55 0.16 0.00 0.50 0.00 0.00 46.19 44.32 3pcb s LEU 320 CO 0.69 -1.02 0.33 0.42 -1.32 0.00 0.00 176.35 175.45 3pcb s THR 321 N 3.07 0.73 0.44 3.68 -4.23 -1.26 -5.04 115.64 113.03 3pcb s THR 321 Ca 0.20 -2.67 0.32 0.00 -1.18 0.00 0.00 61.69 58.36 3pcb s THR 321 Cb -0.17 -1.51 0.50 0.00 1.34 0.00 0.00 72.50 72.66 3pcb s THR 321 CO 0.14 -1.13 1.59 -0.65 -0.54 0.00 0.00 174.62 174.03 3pcb h PRO 322 N 5.97 0.03 0.00 3.99 0.11 -1.94 0.52 132.00 140.69 3pcb h PRO 322 Ca 0.19 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3pcb h PRO 322 Cb 0.90 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3pcb h PRO 322 CO 0.40 0.02 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.65 3pcb h ASP 323 N 0.03 0.00 -2.57 -2.05 3.32 -1.96 -3.17 116.42 110.02 3pcb h ASP 323 Ca 0.86 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 57.18 3pcb h ASP 323 Cb 2.77 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 42.12 3pcb h ASP 323 CO -0.44 0.12 0.97 -0.47 -1.72 0.00 0.00 179.24 177.70 3pcb s TYR 324 N -4.16 3.52 0.22 4.55 5.04 0.17 -4.85 117.35 121.85 3pcb s TYR 324 Ca -0.03 -1.99 -0.04 0.00 -2.44 0.00 0.00 57.07 52.58 3pcb s TYR 324 Cb 0.13 -4.20 0.42 0.00 0.35 0.00 0.00 41.96 38.66 3pcb s TYR 324 CO 0.59 -1.33 1.20 1.63 -1.34 0.00 0.00 175.55 176.30 3pcb n LYS 325 N 5.35 -0.07 0.29 4.97 5.02 -1.20 -0.93 118.16 131.60 3pcb n LYS 325 Ca 0.29 1.19 0.17 0.00 -2.02 0.00 0.00 58.31 57.94 3pcb n LYS 325 Cb 0.44 -1.80 0.88 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.25 0.00 -0.18 2.02 -1.91 -2.75 112.91 110.33 3pcb h THR 326 Ca 0.40 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3pcb h THR 326 Cb 0.67 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3pcb h THR 326 CO -0.77 0.05 -0.05 0.77 0.37 0.00 0.00 175.52 175.88 3pcb h SER 327 N 0.00 0.00 0.56 4.18 4.64 -1.33 -3.19 113.55 118.41 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 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3pcb h SER 327 CO 0.01 0.05 -0.32 0.40 -0.87 0.00 0.00 176.83 176.10 3pcb h ILE 328 N 0.00 0.34 0.00 0.95 2.04 -1.64 -2.76 117.51 116.45 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 0.52 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3pcb h ILE 328 CO 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.04 3pcb n ALA 329 N -2.51 2.62 -1.56 1.87 0.00 -1.25 -3.96 120.51 115.71 3pcb n ALA 329 Ca -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 3pcb n ALA 329 Cb 0.35 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.50 1.91 -4.81 0.00 1.74 -1.09 -4.98 116.66 107.93 3pcb n ARG 330 Ca 0.07 -3.32 -0.26 0.00 -0.77 0.00 0.00 57.85 53.57 3pcb n ARG 330 Cb 0.34 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.85 2.13 0.49 0.55 1.04 -1.06 -4.95 113.70 109.05 3pcb s SER 331 Ca 0.43 -0.35 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 3pcb s SER 331 Cb 0.40 -0.63 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 3pcb s SER 331 CO -0.02 0.14 1.25 -2.84 0.98 0.00 0.00 173.24 172.75 3pcb s PRO 332 N 0.09 3.52 -0.01 4.02 0.02 -1.26 -4.94 135.00 136.44 3pcb s PRO 332 Ca -0.05 1.99 0.22 0.00 0.02 0.00 0.00 61.00 63.18 3pcb s PRO 332 Cb -0.12 -2.37 -0.28 0.00 0.02 0.00 0.00 34.50 31.75 3pcb s PRO 332 CO 0.02 -0.81 0.53 0.54 -0.33 0.00 0.00 177.00 176.95 3pcb n ARG 333 N -0.67 0.65 -3.06 5.54 5.12 -1.26 -4.92 116.66 118.07 3pcb n ARG 333 Ca 0.08 -0.12 -0.30 0.00 -1.93 0.00 0.00 57.85 55.58 3pcb n ARG 333 Cb 0.46 -1.57 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 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 -3.38 3.76 0.53 5.56 -1.52 -1.26 -5.05 119.66 118.30 3pcb s GLN 334 Ca -0.07 0.34 -0.20 0.00 -1.95 0.00 0.00 55.36 53.48 3pcb s GLN 334 Cb 0.12 -2.49 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 3pcb s GLN 334 CO 0.88 0.08 1.14 0.00 -0.25 0.00 0.00 175.29 177.15 3pcb s ALA 335 N -2.21 2.76 0.34 6.09 0.00 -1.26 -4.98 121.76 122.50 3pcb s ALA 335 Ca 0.49 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 53.04 3pcb s ALA 335 Cb -0.10 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3pcb s ALA 335 CO 0.29 -0.76 1.13 -0.51 0.00 0.00 0.00 175.76 175.91 3pcb s LEU 336 N -3.62 4.36 -0.25 0.00 1.43 -1.26 -5.00 118.68 114.33 3pcb s LEU 336 Ca 0.71 2.30 -0.20 0.00 -1.03 0.00 0.00 54.13 55.90 3pcb s LEU 336 Cb -0.25 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3pcb s LEU 336 CO 0.29 -0.41 0.63 -0.69 0.23 0.00 0.00 176.35 176.41 3pcb s VAL 337 N -1.32 4.98 0.14 -1.59 1.01 -1.26 -5.05 120.40 117.32 3pcb s VAL 337 Ca 0.51 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 3pcb s VAL 337 Cb -0.31 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 3pcb s VAL 337 CO 0.39 0.03 1.00 -0.44 0.00 0.00 0.00 175.10 176.08 3pcb s SER 338 N 1.46 7.45 0.04 3.32 0.01 -1.26 -5.06 113.70 119.66 3pcb s SER 338 Ca 0.26 1.90 0.04 0.00 1.31 0.00 0.00 55.95 59.46 3pcb s SER 338 Cb -0.15 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 3pcb s SER 338 CO 0.08 -0.08 -0.12 0.27 0.41 0.00 0.00 173.24 173.80 3pcb s ILE 339 N -0.21 0.93 0.50 1.44 -4.36 -1.26 -5.14 121.20 113.10 3pcb s ILE 339 Ca 0.47 -0.97 -0.22 0.00 -0.26 0.00 0.00 60.65 59.67 3pcb s ILE 339 Cb -0.25 -0.87 -0.06 0.00 1.25 0.00 0.00 42.46 42.52 3pcb s ILE 339 CO 0.31 -0.08 1.20 -2.16 0.24 0.00 0.00 174.94 174.45 3pcb s PRO 340 N -1.19 3.53 0.28 0.37 0.04 -1.26 -4.98 135.00 131.80 3pcb s PRO 340 Ca -0.01 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 3pcb s PRO 340 Cb -0.08 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 3pcb s PRO 340 CO 0.01 -0.76 1.20 -0.65 0.04 0.00 0.00 177.00 176.83 3pcb s GLN 341 N -2.86 4.51 0.32 4.56 -0.21 -1.26 -5.02 119.66 119.71 3pcb s GLN 341 Ca 0.67 1.98 0.05 0.00 0.02 0.00 0.00 55.36 58.08 3pcb s GLN 341 Cb -0.30 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 3pcb s GLN 341 CO 0.36 0.01 0.20 -1.54 -2.12 0.00 0.00 175.29 172.20 3pcb s SER 342 N -0.56 1.64 0.52 5.90 1.04 -1.26 -5.02 113.70 115.96 3pcb s SER 342 Ca 0.48 -1.65 0.20 0.00 0.48 0.00 0.00 55.95 55.46 3pcb s SER 342 Cb -0.35 0.48 1.32 0.00 0.10 0.00 0.00 66.02 67.57 3pcb s SER 342 CO 0.45 -0.97 2.09 -0.29 0.98 0.00 0.00 173.24 175.50 3pcb h ILE 343 N 2.16 0.89 -0.93 -1.02 2.10 -1.95 -0.88 117.51 117.88 3pcb h ILE 343 Ca -0.30 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.68 3pcb h ILE 343 Cb 1.25 0.89 -0.06 0.00 -1.09 0.00 0.00 36.82 37.81 3pcb h ILE 343 CO 0.46 0.00 0.60 0.28 -1.08 0.00 0.00 178.15 178.41 3pcb h SER 344 N 0.00 0.99 0.43 2.19 0.02 -1.95 -3.06 113.55 112.17 3pcb h SER 344 Ca 0.11 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3pcb h SER 344 Cb 0.42 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3pcb h SER 344 CO -0.00 0.68 -1.63 -0.62 -1.14 0.00 0.00 176.83 174.12 3pcb n GLU 345 N -4.51 0.64 -0.14 3.45 4.71 -0.52 -4.40 120.64 119.86 3pcb n GLU 345 Ca 0.12 -0.02 0.11 0.00 -0.01 0.00 0.00 57.16 57.36 3pcb n GLU 345 Cb 0.10 -1.66 0.29 0.00 -1.01 0.00 0.00 31.44 29.16 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 -2.53 0.38 -4.61 2.62 -2.24 -0.45 -2.91 114.28 104.53 3pcb n THR 346 Ca -0.06 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.90 3pcb n THR 346 Cb 0.66 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.55 -0.09 4.28 -4.23 -1.16 -4.72 115.64 109.65 3pcb s THR 347 Ca 0.35 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.53 3pcb s THR 347 Cb 0.19 -2.73 0.14 0.00 1.34 0.00 0.00 72.50 71.45 3pcb s THR 347 CO 0.28 0.00 1.41 -0.83 -0.54 0.00 0.00 174.62 174.94 3pcb s GLY 348 N -3.70 -0.48 0.57 3.99 0.00 -1.24 -1.14 107.32 105.33 3pcb s GLY 348 Ca 0.28 0.96 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 3pcb s GLY 348 CO 0.14 0.19 1.06 2.56 0.00 0.00 0.00 173.10 177.05 3pcb s PRO 349 N -2.09 3.39 -0.19 2.90 0.04 -1.26 -4.82 135.00 132.97 3pcb s PRO 349 Ca 0.15 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3pcb s PRO 349 Cb 0.07 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3pcb s PRO 349 CO -0.06 -0.76 -0.17 1.21 0.04 0.00 0.00 177.00 177.26 3pcb s ASN 350 N -2.53 3.39 -0.26 6.66 3.84 -1.26 -4.86 114.94 119.91 3pcb s ASN 350 Ca 0.65 -0.59 0.09 0.00 0.21 0.00 0.00 52.86 53.23 3pcb s ASN 350 Cb -0.17 -1.53 0.67 0.00 -0.55 0.00 0.00 41.25 39.67 3pcb s ASN 350 CO 0.33 0.00 1.65 0.49 -2.79 0.00 0.00 177.10 176.78 3pcb n PHE 351 N 4.61 2.08 -0.28 0.43 3.72 -1.26 -4.59 117.46 122.17 3pcb n PHE 351 Ca -0.20 -0.96 0.03 0.00 -0.05 0.00 0.00 57.45 56.26 3pcb n PHE 351 Cb 0.50 -0.59 0.16 0.00 -0.94 0.00 0.00 39.48 38.62 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 2.62 0.60 -0.29 4.37 0.02 -1.96 -2.01 113.55 116.89 3pcb h SER 352 Ca 0.18 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3pcb h SER 352 Cb 2.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3pcb h SER 352 CO 0.60 0.33 0.00 1.41 -1.14 0.00 0.00 176.83 178.03 3pcb n HIS 353 N -4.79 0.39 -2.39 3.45 8.25 -1.26 -4.90 115.22 113.96 3pcb n HIS 353 Ca 0.13 -0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 3pcb n HIS 353 Cb 0.29 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.14 4.52 -0.94 2.41 2.96 -0.76 -4.95 118.68 120.78 3pcb s LEU 354 Ca 0.25 2.37 -0.20 0.00 -0.22 0.00 0.00 54.13 56.33 3pcb s LEU 354 Cb 0.13 -3.63 0.11 0.00 0.50 0.00 0.00 46.19 43.30 3pcb s LEU 354 CO 0.18 -0.23 1.20 -0.83 -1.32 0.00 0.00 176.35 175.34 3pcb s GLY 355 N -0.79 1.77 0.26 7.98 0.00 -1.26 -5.02 107.32 110.26 3pcb s GLY 355 Ca 0.45 -2.63 -0.28 0.00 0.00 0.00 0.00 44.72 42.26 3pcb s GLY 355 CO 0.44 2.16 0.92 -1.36 0.00 0.00 0.00 173.10 175.27 3pcb s PHE 356 N 3.23 3.88 0.74 1.90 0.08 -1.26 -5.06 117.98 121.49 3pcb s PHE 356 Ca 0.35 1.84 -0.11 0.00 0.12 0.00 0.00 56.93 59.13 3pcb s PHE 356 Cb -0.04 -2.94 0.04 0.00 -0.57 0.00 0.00 43.02 39.51 3pcb s PHE 356 CO -0.09 0.38 1.08 0.20 -0.10 0.00 0.00 175.22 176.69 3pcb s GLY 357 N -1.34 1.64 0.48 4.36 0.00 -1.26 -4.97 107.32 106.23 3pcb s GLY 357 Ca 0.44 -0.10 0.21 0.00 0.00 0.00 0.00 44.72 45.26 3pcb s GLY 357 CO 0.29 0.27 2.02 0.00 0.00 0.00 0.00 173.10 175.67 3pcb h ALA 358 N -0.87 1.47 -0.10 3.20 0.00 -2.02 -2.98 119.26 117.95 3pcb h ALA 358 Ca -0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3pcb h ALA 358 Cb 1.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3pcb h ALA 358 CO 0.59 0.21 -0.28 0.72 0.00 0.00 0.00 179.25 180.49 3pcb n HIS 359 N -3.97 0.32 -0.34 0.00 8.25 -1.26 -4.75 115.22 113.48 3pcb n HIS 359 Ca -0.02 -1.40 0.09 0.00 -0.26 0.00 0.00 57.72 56.13 3pcb n HIS 359 Cb 0.25 -0.30 0.29 0.00 1.12 0.00 0.00 29.99 31.36 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 0.87 0.84 -0.21 0.41 5.19 -1.81 -0.98 116.42 120.72 3pcb h ASP 360 Ca 0.05 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3pcb h ASP 360 Cb 1.19 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.58 3pcb h ASP 360 CO 0.11 0.42 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 3pcb n HIS 361 N -4.62 0.25 -3.68 4.55 1.44 -1.18 -2.47 115.22 109.52 3pcb n HIS 361 Ca 0.19 -0.13 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 3pcb n HIS 361 Cb 0.41 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.42 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 -1.71 5.45 0.00 4.39 -1.08 -0.37 -2.17 116.67 121.18 3pcb s ASP 362 Ca 0.34 -2.23 0.16 0.00 -0.52 0.00 0.00 52.55 50.30 3pcb s ASP 362 Cb 0.21 -1.91 0.68 0.00 -1.46 0.00 0.00 42.92 40.44 3pcb s ASP 362 CO 0.31 -0.55 1.49 0.18 0.52 0.00 0.00 175.17 177.12 3pcb n LEU 363 N 4.38 0.00 0.08 -1.34 4.32 0.22 -1.24 117.00 123.43 3pcb n LEU 363 Ca -0.01 0.47 -0.12 0.00 -0.02 0.00 0.00 56.01 56.33 3pcb n LEU 363 Cb 0.41 -0.47 -0.07 0.00 -1.62 0.00 0.00 43.42 41.67 3pcb n LEU 363 CO 0.36 -0.22 0.13 -0.07 -1.22 0.00 0.00 177.39 176.37 3pcb h LEU 364 N 0.00 0.38 0.00 2.23 4.07 -1.91 -3.39 115.31 116.69 3pcb h LEU 364 Ca 0.00 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3pcb h LEU 364 Cb 0.25 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3pcb h LEU 364 CO 0.00 1.18 -0.59 0.18 -1.08 0.00 0.00 178.44 178.14 3pcb n LEU 365 N -3.63 0.14 -0.12 1.67 4.77 -0.97 -4.53 117.00 114.33 3pcb n LEU 365 Ca -0.06 -0.32 0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3pcb n LEU 365 Cb 0.89 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.70 3pcb n LEU 365 CO 0.51 0.03 0.97 -0.46 -1.33 0.00 0.00 177.39 177.11 3pcb n ASN 366 N -1.31 0.36 0.00 -1.43 0.23 -0.37 -5.03 115.26 107.70 3pcb n ASN 366 Ca 0.00 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 3pcb n ASN 366 Cb 0.09 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.66 0.00 -0.52 -2.53 7.35 -1.26 -4.97 117.46 114.87 3pcb n PHE 367 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3pcb n PHE 367 Cb 0.15 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 39.81 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 1.80 0.00 3.90 7.13 0.00 -1.26 -4.87 105.19 111.89 3pcb n GLY 371 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.55 4.37 0.68 0.99 1.02 -1.26 -4.81 118.68 115.12 3pcb s LEU 372 Ca 0.00 0.42 -0.16 0.00 0.02 0.00 0.00 54.13 54.41 3pcb s LEU 372 Cb 0.00 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.67 3pcb s LEU 372 CO 0.00 0.28 1.19 -2.84 0.02 0.00 0.00 176.35 175.00 3pcb s PRO 373 N -1.76 2.49 -0.13 1.29 0.02 -1.26 -4.82 135.00 130.83 3pcb s PRO 373 Ca 0.26 1.72 -0.14 0.00 0.02 0.00 0.00 61.00 62.85 3pcb s PRO 373 Cb -0.13 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 3pcb s PRO 373 CO 0.16 -1.56 0.33 0.42 -0.33 0.00 0.00 177.00 176.02 3pcb s ILE 374 N -1.93 5.26 0.00 2.83 1.01 -1.26 -5.00 121.20 122.11 3pcb s ILE 374 Ca 0.74 0.63 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3pcb s ILE 374 Cb -0.28 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3pcb s ILE 374 CO 0.41 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.38 3pcb n GLY 375 N 3.09 1.51 3.63 6.18 0.00 -1.26 -4.44 105.19 113.90 3pcb n GLY 375 Ca -0.12 -1.81 -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 -1.39 3.80 -0.03 1.61 2.02 -1.26 -4.90 118.70 118.56 3pcb s GLU 376 Ca 0.00 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.25 3pcb s GLU 376 Cb 0.00 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 3pcb s GLU 376 CO 0.00 -1.28 1.28 1.03 0.02 0.00 0.00 175.26 176.31 3pcb s ARG 377 N 4.61 4.33 0.06 1.61 0.52 -1.26 -0.88 118.95 127.93 3pcb s ARG 377 Ca 0.69 1.80 -0.05 0.00 -0.52 0.00 0.00 55.73 57.65 3pcb s ARG 377 Cb -0.23 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 3pcb s ARG 377 CO 0.28 -0.49 0.07 0.96 0.02 0.00 0.00 175.30 176.14 3pcb s ILE 378 N 2.23 0.17 -0.13 1.52 -4.36 -0.07 -2.53 121.20 118.04 3pcb s ILE 378 Ca 0.59 -1.42 -0.02 0.00 -0.26 0.00 0.00 60.65 59.54 3pcb s ILE 378 Cb -0.28 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 3pcb s ILE 378 CO 0.24 -0.79 -0.08 -0.63 0.24 0.00 0.00 174.94 173.93 3pcb s ILE 379 N -3.60 3.54 -0.25 8.37 1.01 0.06 -0.83 121.20 129.50 3pcb s ILE 379 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3pcb s ILE 379 Cb 0.05 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 40.03 3pcb s ILE 379 CO -0.09 0.52 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 3pcb s VAL 380 N 0.19 2.93 0.11 2.92 1.01 -0.22 -0.38 120.40 126.96 3pcb s VAL 380 Ca -0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3pcb s VAL 380 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3pcb s VAL 380 CO 0.04 0.19 0.06 0.00 0.00 0.00 0.00 175.10 175.39 3pcb s ALA 381 N 1.33 0.63 0.00 5.51 0.00 -0.71 -0.11 121.76 128.42 3pcb s ALA 381 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3pcb s ALA 381 Cb -0.17 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.64 3pcb s ALA 381 CO -0.04 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3pcb n GLY 382 N -0.05 -0.84 3.15 0.00 0.00 -1.03 -0.06 105.19 106.37 3pcb n GLY 382 Ca -0.08 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.79 0.77 -0.24 1.61 3.52 -1.25 -1.79 118.95 120.78 3pcb s ARG 383 Ca 0.00 -0.93 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 3pcb s ARG 383 Cb 0.00 -0.74 -0.01 0.00 -1.56 0.00 0.00 34.95 32.65 3pcb s ARG 383 CO 0.00 0.16 0.00 0.08 -0.81 0.00 0.00 175.30 174.73 3pcb s VAL 384 N -1.31 3.65 0.17 7.11 1.01 0.80 -0.42 120.40 131.40 3pcb s VAL 384 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3pcb s VAL 384 Cb -0.10 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3pcb s VAL 384 CO 0.02 0.32 -0.06 0.68 0.00 0.00 0.00 175.10 176.07 3pcb s VAL 385 N 1.50 1.01 0.64 2.92 -7.23 -0.23 -1.01 120.40 118.00 3pcb s VAL 385 Ca 0.05 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3pcb s VAL 385 Cb -0.15 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.88 3pcb s VAL 385 CO -0.01 -0.61 0.89 1.51 -0.31 0.00 0.00 175.10 176.57 3pcb s ASP 386 N -3.19 4.76 0.54 4.85 -4.77 0.85 -0.21 116.67 119.50 3pcb s ASP 386 Ca 0.20 -0.29 0.27 0.00 -3.30 0.00 0.00 52.55 49.43 3pcb s ASP 386 Cb 0.04 -0.29 1.55 0.00 -1.09 0.00 0.00 42.92 43.13 3pcb s ASP 386 CO 0.03 -1.54 2.14 1.56 0.70 0.00 0.00 175.17 178.05 3pcb h GLN 387 N -0.23 0.00 0.00 2.11 4.20 -1.25 0.13 115.11 120.07 3pcb h GLN 387 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3pcb h GLN 387 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3pcb h GLN 387 CO 0.45 0.08 0.00 0.66 -0.67 0.00 0.00 178.83 179.34 3pcb n TYR 388 N -3.81 0.00 -0.63 2.96 4.01 -1.26 -4.87 117.16 113.56 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 0.17 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.07 0.64 3.75 2.72 0.00 0.44 -5.05 105.19 108.76 3pcb n GLY 389 Ca 0.11 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.86 4.45 0.49 1.61 2.20 -1.25 -4.77 119.74 121.61 3pcb s LYS 390 Ca 0.00 0.98 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 3pcb s LYS 390 Cb 0.00 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 3pcb s LYS 390 CO 0.00 0.31 1.25 -2.14 -0.36 0.00 0.00 175.35 174.41 3pcb s PRO 391 N -0.12 3.51 -0.54 4.03 0.02 -1.26 -0.10 135.00 140.54 3pcb s PRO 391 Ca 0.36 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 63.32 3pcb s PRO 391 Cb -0.20 -2.35 0.14 0.00 0.02 0.00 0.00 34.50 32.11 3pcb s PRO 391 CO 0.21 -0.81 0.35 0.08 -0.33 0.00 0.00 177.00 176.50 3pcb s VAL 392 N -1.44 3.62 0.43 3.83 1.01 -0.18 -4.83 120.40 122.84 3pcb s VAL 392 Ca 0.67 -2.53 -0.16 0.00 0.00 0.00 0.00 61.98 59.96 3pcb s VAL 392 Cb -0.33 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3pcb s VAL 392 CO 0.40 -0.80 0.88 -2.16 0.00 0.00 0.00 175.10 173.42 3pcb s PRO 393 N 0.49 4.00 -1.36 2.72 0.04 -1.26 -4.29 135.00 135.34 3pcb s PRO 393 Ca 0.13 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 3pcb s PRO 393 Cb -0.21 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3pcb s PRO 393 CO -0.04 -0.07 0.45 0.09 0.04 0.00 0.00 177.00 177.48 3pcb n ASN 394 N -1.03 -1.42 -4.50 6.66 5.03 -0.81 -4.97 115.26 114.21 3pcb n ASN 394 Ca 0.05 -1.07 -0.30 0.00 0.87 0.00 0.00 54.58 54.12 3pcb n ASN 394 Cb 0.54 -2.79 -0.12 0.00 -1.02 0.00 0.00 39.78 36.39 3pcb n ASN 394 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3pcb s THR 395 N -3.89 3.00 -0.21 3.41 -1.32 -1.26 -4.58 115.64 110.79 3pcb s THR 395 Ca 0.14 -1.23 -0.28 0.00 -1.21 0.00 0.00 61.69 59.10 3pcb s THR 395 Cb -0.06 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 3pcb s THR 395 CO 0.91 0.24 1.00 -0.22 -2.21 0.00 0.00 174.62 174.34 3pcb s LEU 396 N -1.75 4.12 -0.21 9.08 2.96 -1.26 -0.94 118.68 130.68 3pcb s LEU 396 Ca 0.17 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 3pcb s LEU 396 Cb -0.11 -3.48 0.02 0.00 0.50 0.00 0.00 46.19 43.13 3pcb s LEU 396 CO 0.08 -0.61 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.67 3pcb s VAL 397 N 2.95 2.39 0.00 1.68 1.01 -0.33 -1.25 120.40 126.85 3pcb s VAL 397 Ca 0.43 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3pcb s VAL 397 Cb -0.16 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3pcb s VAL 397 CO 0.08 0.40 -0.24 -1.61 0.00 0.00 0.00 175.10 173.74 3pcb s GLU 398 N 1.30 2.07 0.03 2.72 2.02 -0.06 -0.72 118.70 126.05 3pcb s GLU 398 Ca 0.03 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 3pcb s GLU 398 Cb -0.15 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3pcb s GLU 398 CO -0.09 0.55 0.01 0.00 0.02 0.00 0.00 175.26 175.75 3pcb s MET 399 N -0.90 0.42 -0.01 1.61 0.23 -0.29 -0.36 119.30 120.00 3pcb s MET 399 Ca 0.11 -0.71 -0.18 0.00 -1.03 0.00 0.00 55.69 53.88 3pcb s MET 399 Cb -0.10 0.16 0.03 0.00 -1.53 0.00 0.00 34.83 33.39 3pcb s MET 399 CO 0.01 -0.08 0.39 1.67 -2.03 0.00 0.00 175.02 174.97 3pcb s TRP 400 N -2.03 -0.27 0.19 3.16 -2.14 -0.88 -1.32 118.94 115.65 3pcb s TRP 400 Ca -0.10 0.40 -0.23 0.00 2.66 0.00 0.00 56.10 58.82 3pcb s TRP 400 Cb -0.05 0.16 0.07 0.00 -3.10 0.00 0.00 33.47 30.55 3pcb s TRP 400 CO -0.03 -0.45 0.96 1.14 -2.66 0.00 0.00 176.95 175.91 3pcb s GLN 401 N -1.49 1.34 0.73 3.25 -2.07 -0.61 -0.94 119.66 119.87 3pcb s GLN 401 Ca -0.12 -0.79 -0.05 0.00 -1.82 0.00 0.00 55.36 52.57 3pcb s GLN 401 Cb -0.04 0.42 0.10 0.00 -1.09 0.00 0.00 33.01 32.41 3pcb s GLN 401 CO 0.04 -0.62 1.03 0.00 -1.32 0.00 0.00 175.29 174.42 3pcb s ALA 402 N -2.89 3.27 0.90 2.60 0.00 -1.26 -4.62 121.76 119.76 3pcb s ALA 402 Ca 0.15 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 3pcb s ALA 402 Cb -0.02 -2.37 0.20 0.00 0.00 0.00 0.00 23.12 20.93 3pcb s ALA 402 CO 0.04 -1.48 1.23 0.54 0.00 0.00 0.00 175.76 176.10 3pcb s ASN 403 N -4.64 3.32 0.58 0.00 2.20 0.14 -4.49 114.94 112.04 3pcb s ASN 403 Ca 0.64 -0.08 0.30 0.00 -0.94 0.00 0.00 52.86 52.78 3pcb s ASN 403 Cb -0.08 0.02 1.43 0.00 -2.00 0.00 0.00 41.25 40.62 3pcb s ASN 403 CO 0.45 -2.57 1.82 0.00 -2.94 0.00 0.00 177.10 173.87 3pcb h ALA 404 N -1.34 2.47 -0.02 3.54 0.00 -1.78 0.15 119.26 122.29 3pcb h ALA 404 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pcb h ALA 404 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcb h ALA 404 CO 0.34 -0.97 -0.31 0.41 0.00 0.00 0.00 179.25 178.72 3pcb n GLY 405 N -1.59 0.00 1.12 0.00 0.00 -1.26 -3.48 105.19 99.97 3pcb n GLY 405 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.37 0.66 3.78 -0.02 0.00 0.49 -4.79 105.19 106.67 3pcb n GLY 406 Ca 0.12 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.09 4.03 -0.07 1.61 6.06 -1.26 -4.78 118.95 123.46 3pcb s ARG 407 Ca 0.00 0.09 -0.03 0.00 -2.50 0.00 0.00 55.73 53.29 3pcb s ARG 407 Cb 0.00 -3.34 -0.04 0.00 0.06 0.00 0.00 34.95 31.63 3pcb s ARG 407 CO 0.00 0.43 0.07 0.71 -2.50 0.00 0.00 175.30 174.01 3pcb s TYR 408 N -0.12 3.35 -1.23 5.12 2.02 -1.26 -0.69 117.35 124.53 3pcb s TYR 408 Ca 0.17 0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 57.05 3pcb s TYR 408 Cb -0.13 -1.82 0.17 0.00 -0.40 0.00 0.00 41.96 39.77 3pcb s TYR 408 CO 0.05 0.58 1.58 -2.13 -1.57 0.00 0.00 175.55 174.06 3pcb n ARG 409 N 1.79 3.45 -3.70 -0.62 0.63 -1.26 -4.72 116.66 112.23 3pcb n ARG 409 Ca -0.17 -3.75 -0.11 0.00 -0.92 0.00 0.00 57.85 52.90 3pcb n ARG 409 Cb 0.54 -3.01 -0.10 0.00 0.45 0.00 0.00 32.46 30.34 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 1.20 -0.62 0.27 -0.14 2.46 -1.26 -5.07 115.29 112.13 3pcb s HIS 410 Ca 0.42 1.33 -0.08 0.00 0.47 0.00 0.00 55.06 57.19 3pcb s HIS 410 Cb 0.01 0.28 0.45 0.00 -0.13 0.00 0.00 32.58 33.19 3pcb s HIS 410 CO 0.00 -0.34 1.57 0.87 -2.47 0.00 0.00 174.74 174.38 3pcb h LYS 411 N 6.89 0.00 0.00 2.88 1.57 -2.07 0.00 116.57 125.85 3pcb h LYS 411 Ca -0.35 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3pcb h LYS 411 Cb 1.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3pcb h LYS 411 CO 0.28 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.25 3pcb n ASN 412 N -5.59 0.00 -4.49 0.86 5.03 -1.26 -4.63 115.26 105.18 3pcb n ASN 412 Ca 0.15 0.37 -0.43 0.00 0.87 0.00 0.00 54.58 55.54 3pcb n ASN 412 Cb 0.49 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 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 -2.86 6.27 0.00 6.41 2.15 -0.02 -4.85 116.67 123.78 3pcb s ASP 413 Ca 0.08 -0.63 0.24 0.00 0.43 0.00 0.00 52.55 52.67 3pcb s ASP 413 Cb 0.09 -2.40 0.24 0.00 -0.30 0.00 0.00 42.92 40.55 3pcb s ASP 413 CO 0.22 -1.20 1.25 0.54 -0.17 0.00 0.00 175.17 175.81 3pcb n ARG 414 N 7.23 1.27 -1.54 4.34 5.12 -1.26 -4.91 116.66 126.89 3pcb n ARG 414 Ca -0.01 -0.98 -0.46 0.00 -1.93 0.00 0.00 57.85 54.46 3pcb n ARG 414 Cb 0.46 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 3pcb n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pcb n TYR 415 N -0.01 0.88 0.59 -1.55 9.36 -1.26 -4.81 117.16 120.36 3pcb n TYR 415 Ca 0.11 0.76 0.06 0.00 3.32 0.00 0.00 57.90 62.15 3pcb n TYR 415 Cb 0.45 -2.19 0.31 0.00 -0.63 0.00 0.00 39.34 37.28 3pcb n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3pcb n LEU 416 N 1.54 0.00 -4.74 2.98 -0.00 -1.26 -4.72 117.00 110.80 3pcb n LEU 416 Ca 0.13 0.23 -0.41 0.00 -0.00 0.00 0.00 56.01 55.96 3pcb n LEU 416 Cb 0.29 -0.23 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 3pcb n LEU 416 CO 0.59 -0.14 0.76 0.00 -0.00 0.00 0.00 177.39 178.60 3pcb s ALA 417 N -2.46 3.36 0.72 1.47 0.00 -1.26 -5.00 121.76 118.59 3pcb s ALA 417 Ca 0.12 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 3pcb s ALA 417 Cb 0.08 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.91 3pcb s ALA 417 CO 0.17 -0.13 1.11 -1.25 0.00 0.00 0.00 175.76 175.66 3pcb s PRO 418 N -0.56 2.44 0.70 0.00 0.04 -1.26 -4.77 135.00 131.59 3pcb s PRO 418 Ca 0.47 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 3pcb s PRO 418 Cb -0.29 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3pcb s PRO 418 CO 0.35 -1.52 1.07 -0.51 0.04 0.00 0.00 177.00 176.42 3pcb s LEU 419 N -5.42 3.02 -0.24 -3.56 1.43 -1.26 -4.77 118.68 107.87 3pcb s LEU 419 Ca 0.65 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 3pcb s LEU 419 Cb -0.20 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.71 3pcb s LEU 419 CO 0.49 -1.43 -0.01 -0.62 0.23 0.00 0.00 176.35 175.01 3pcb s ASP 420 N -3.95 4.55 0.52 2.29 -1.08 -1.26 -5.00 116.67 112.74 3pcb s ASP 420 Ca 0.58 -0.54 0.30 0.00 -0.52 0.00 0.00 52.55 52.37 3pcb s ASP 420 Cb -0.13 -1.77 1.43 0.00 -1.46 0.00 0.00 42.92 40.99 3pcb s ASP 420 CO 0.54 -0.08 1.88 1.55 0.52 0.00 0.00 175.17 179.59 3pcb h PRO 421 N 8.13 0.05 -0.52 4.34 0.13 -1.97 -1.25 132.00 140.92 3pcb h PRO 421 Ca -0.37 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3pcb h PRO 421 Cb 1.14 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3pcb h PRO 421 CO 0.60 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 3pcb n ASN 422 N -4.31 4.51 -3.99 1.44 4.13 -1.26 -4.95 115.26 110.84 3pcb n ASN 422 Ca 0.19 -2.59 -0.24 0.00 1.68 0.00 0.00 54.58 53.62 3pcb n ASN 422 Cb 0.93 -0.54 -0.17 0.00 -1.54 0.00 0.00 39.78 38.46 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 -2.09 1.34 -0.23 3.10 5.36 -0.47 -4.32 117.98 120.66 3pcb s PHE 423 Ca 0.46 -0.50 -0.15 0.00 -0.96 0.00 0.00 56.93 55.78 3pcb s PHE 423 Cb 0.32 -1.02 -0.09 0.00 -0.34 0.00 0.00 43.02 41.89 3pcb s PHE 423 CO 0.19 -0.29 -0.34 0.41 -1.46 0.00 0.00 175.22 173.73 3pcb n GLY 424 N 3.99 -0.46 0.56 13.12 0.00 -1.26 -4.69 105.19 116.45 3pcb n GLY 424 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.42 1.19 2.99 -0.02 0.00 -1.26 -4.54 105.19 104.97 3pcb n GLY 425 Ca -0.38 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.19 0.74 0.11 1.61 1.01 -1.26 -1.57 120.40 118.84 3pcb s VAL 426 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3pcb s VAL 426 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3pcb s VAL 426 CO 0.00 0.23 0.20 -0.83 0.00 0.00 0.00 175.10 174.71 3pcb s GLY 427 N 0.24 0.26 -0.08 4.51 0.00 -0.43 -4.80 107.32 107.02 3pcb s GLY 427 Ca -0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.75 3pcb s GLY 427 CO 0.00 -0.86 0.42 1.09 0.00 0.00 0.00 173.10 173.75 3pcb s ARG 428 N -3.90 0.66 -0.17 2.90 1.70 -1.03 -1.14 118.95 117.96 3pcb s ARG 428 Ca 0.10 0.22 -0.15 0.00 -0.47 0.00 0.00 55.73 55.43 3pcb s ARG 428 Cb 0.05 0.31 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 3pcb s ARG 428 CO -0.07 -0.15 0.45 0.00 -1.08 0.00 0.00 175.30 174.45 3pcb s LEU 430 N 0.47 4.12 0.80 0.00 2.96 -1.26 -1.19 118.68 124.57 3pcb s LEU 430 Ca -0.02 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.11 3pcb s LEU 430 Cb -0.04 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.35 3pcb s LEU 430 CO -0.02 -0.06 1.19 0.42 -1.32 0.00 0.00 176.35 176.56 3pcb s THR 431 N 1.41 2.19 0.43 3.68 -4.23 -0.12 -4.86 115.64 114.14 3pcb s THR 431 Ca 0.15 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 3pcb s THR 431 Cb -0.15 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.30 3pcb s THR 431 CO 0.07 -0.06 0.58 -0.90 -0.54 0.00 0.00 174.62 173.78 3pcb n ASP 432 N -3.27 0.68 -0.20 3.99 5.68 -0.55 -1.93 116.55 120.94 3pcb n ASP 432 Ca 0.13 -1.60 0.30 0.00 -0.50 0.00 0.00 54.79 53.12 3pcb n ASP 432 Cb 0.51 -0.39 0.73 0.00 -1.14 0.00 0.00 41.12 40.83 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 -0.41 0.00 -0.24 -1.12 0.02 -1.95 0.98 113.55 110.83 3pcb h SER 433 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3pcb h SER 433 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3pcb h SER 433 CO 0.20 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.36 3pcb n ASP 434 N -4.13 3.24 0.00 3.07 8.00 -1.26 -4.68 116.55 120.79 3pcb n ASP 434 Ca 0.20 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3pcb n ASP 434 Cb 1.05 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 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 1.40 0.56 3.84 0.44 0.00 0.34 -4.75 105.19 107.03 3pcb n GLY 435 Ca 0.17 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.51 0.11 1.61 2.02 -1.26 -0.14 117.35 121.20 3pcb s TYR 436 Ca 0.00 1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.81 3pcb s TYR 436 Cb 0.00 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 3pcb s TYR 436 CO 0.00 0.28 0.07 1.52 -1.57 0.00 0.00 175.55 175.85 3pcb s TYR 437 N -1.70 0.65 -0.03 2.71 -0.85 -0.74 -1.49 117.35 115.91 3pcb s TYR 437 Ca 0.46 -1.08 -0.30 0.00 -0.52 0.00 0.00 57.07 55.62 3pcb s TYR 437 Cb -0.13 -0.37 0.08 0.00 0.38 0.00 0.00 41.96 41.91 3pcb s TYR 437 CO 0.19 -0.50 0.70 -1.54 -1.52 0.00 0.00 175.55 172.88 3pcb s SER 438 N -2.99 -0.62 0.06 -0.18 1.04 -1.26 -2.48 113.70 107.28 3pcb s SER 438 Ca 0.17 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.18 3pcb s SER 438 Cb 0.07 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 3pcb s SER 438 CO -0.03 -0.63 -0.05 -0.36 0.98 0.00 0.00 173.24 173.15 3pcb s PHE 439 N -1.57 0.62 -0.09 5.02 0.08 0.85 -4.89 117.98 117.98 3pcb s PHE 439 Ca -0.08 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.10 3pcb s PHE 439 Cb -0.00 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.07 3pcb s PHE 439 CO 0.06 -0.24 -0.09 0.50 -0.10 0.00 0.00 175.22 175.34 3pcb s ARG 440 N -3.25 1.57 0.00 0.44 3.52 -0.92 -1.05 118.95 119.26 3pcb s ARG 440 Ca 0.03 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 3pcb s ARG 440 Cb 0.02 -1.49 0.00 0.00 -1.56 0.00 0.00 34.95 31.92 3pcb s ARG 440 CO -0.06 -0.15 0.00 -2.37 -0.81 0.00 0.00 175.30 171.91 3pcb n THR 441 N 4.49 0.00 -4.29 4.11 5.66 -0.01 0.72 114.28 124.96 3pcb n THR 441 Ca -0.17 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.55 3pcb n THR 441 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.80 3.07 -0.04 1.09 -5.25 -1.26 -0.90 121.20 115.11 3pcb s ILE 442 Ca 0.00 -1.55 -0.30 0.00 -0.99 0.00 0.00 60.65 57.82 3pcb s ILE 442 Cb 0.00 -2.46 -0.04 0.00 2.95 0.00 0.00 42.46 42.91 3pcb s ILE 442 CO 0.00 0.01 1.33 -0.75 -1.79 0.00 0.00 174.94 173.74 3pcb s LYS 443 N -2.46 4.29 0.68 0.37 2.20 -0.06 -4.90 119.74 119.86 3pcb s LYS 443 Ca 0.22 1.84 -0.13 0.00 -0.36 0.00 0.00 55.97 57.54 3pcb s LYS 443 Cb -0.10 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3pcb s LYS 443 CO 0.13 -0.57 1.07 -1.25 -0.36 0.00 0.00 175.35 174.37 3pcb s PRO 444 N 2.59 2.87 0.15 4.03 0.04 -1.26 -4.23 135.00 139.18 3pcb s PRO 444 Ca 0.61 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3pcb s PRO 444 Cb -0.28 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3pcb s PRO 444 CO 0.24 -1.17 0.18 0.20 0.04 0.00 0.00 177.00 176.49 3pcb s GLY 445 N -3.22 1.76 1.27 0.56 0.00 -1.00 -4.67 107.32 102.01 3pcb s GLY 445 Ca 0.62 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 44.02 3pcb s GLY 445 CO 0.48 -1.13 1.01 2.56 0.00 0.00 0.00 173.10 176.02 3pcb s PRO 446 N -3.06 -1.77 -0.13 2.90 0.04 -1.26 -3.87 135.00 127.85 3pcb s PRO 446 Ca 0.32 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 3pcb s PRO 446 Cb -0.11 -1.50 0.10 0.00 0.04 0.00 0.00 34.50 33.03 3pcb s PRO 446 CO 0.25 -4.15 0.84 1.52 0.04 0.00 0.00 177.00 175.50 3pcb s TYR 447 N -2.55 -0.54 0.56 0.56 -0.85 -1.14 -4.17 117.35 109.23 3pcb s TYR 447 Ca 0.69 1.00 -0.16 0.00 -0.52 0.00 0.00 57.07 58.08 3pcb s TYR 447 Cb -0.16 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 3pcb s TYR 447 CO 0.59 -0.45 1.02 -1.25 -1.52 0.00 0.00 175.55 173.95 3pcb s PRO 448 N -0.91 3.59 -0.04 -3.49 0.04 -1.26 -0.67 135.00 132.27 3pcb s PRO 448 Ca -0.05 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 3pcb s PRO 448 Cb -0.01 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.49 3pcb s PRO 448 CO 0.05 -0.57 0.43 1.67 0.04 0.00 0.00 177.00 178.61 3pcb s TRP 449 N -2.58 -0.35 -1.09 0.56 1.48 -0.91 -4.88 118.94 111.17 3pcb s TRP 449 Ca 0.61 0.60 -0.22 0.00 -1.06 0.00 0.00 56.10 56.03 3pcb s TRP 449 Cb -0.13 0.20 0.03 0.00 -1.16 0.00 0.00 33.47 32.40 3pcb s TRP 449 CO 0.36 -0.44 1.65 1.03 -4.06 0.00 0.00 176.95 175.48 3pcb s ARG 450 N -1.16 3.43 0.00 3.25 0.52 -1.26 -4.40 118.95 119.33 3pcb s ARG 450 Ca -0.12 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 3pcb s ARG 450 Cb -0.03 -5.35 0.00 0.00 0.52 0.00 0.00 34.95 30.09 3pcb s ARG 450 CO 0.06 -2.57 0.00 -1.71 0.02 0.00 0.00 175.30 171.09 3pcb n ASN 451 N 10.08 0.00 -4.46 0.23 5.15 -1.26 -5.05 115.26 119.95 3pcb n ASN 451 Ca 0.39 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.10 3pcb n ASN 451 Cb 0.49 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.88 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 -0.41 1.75 0.57 8.20 0.00 -1.26 -4.96 107.32 111.20 3pcb s GLY 452 Ca 0.00 -1.31 0.33 0.00 0.00 0.00 0.00 44.72 43.74 3pcb s GLY 452 CO 0.00 -0.67 2.15 -2.55 0.00 0.00 0.00 173.10 172.03 3pcb h PRO 453 N -1.10 0.00 -1.13 2.90 0.11 -1.98 -3.30 132.00 127.50 3pcb h PRO 453 Ca -0.42 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 3pcb h PRO 453 Cb 1.26 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.04 3pcb h PRO 453 CO 0.43 0.06 -0.99 -1.71 -0.21 0.00 0.00 178.00 175.58 3pcb n ASN 454 N -3.44 0.26 -4.82 -2.05 5.15 -1.26 -5.09 115.26 104.01 3pcb n ASN 454 Ca -0.02 -2.93 -0.38 0.00 -0.60 0.00 0.00 54.58 50.65 3pcb n ASN 454 Cb 0.19 -0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.35 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 -2.36 6.74 -0.06 1.20 1.01 -1.25 -5.08 116.67 116.89 3pcb s ASP 455 Ca 0.31 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.45 3pcb s ASP 455 Cb 0.39 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 42.10 3pcb s ASP 455 CO -0.04 0.28 -0.03 0.26 0.21 0.00 0.00 175.17 175.86 3pcb s TRP 456 N -0.76 0.71 0.18 4.23 0.52 -1.26 -2.14 118.94 120.42 3pcb s TRP 456 Ca 0.23 -0.20 -0.30 0.00 0.02 0.00 0.00 56.10 55.85 3pcb s TRP 456 Cb -0.16 -0.72 -0.08 0.00 -1.15 0.00 0.00 33.47 31.37 3pcb s TRP 456 CO 0.12 -0.25 1.13 1.03 0.02 0.00 0.00 176.95 179.00 3pcb s ARG 457 N 1.34 4.56 0.90 4.98 1.81 0.16 -4.73 118.95 127.96 3pcb s ARG 457 Ca -0.05 1.78 -0.10 0.00 -1.72 0.00 0.00 55.73 55.64 3pcb s ARG 457 Cb -0.13 -3.26 0.14 0.00 -0.45 0.00 0.00 34.95 31.24 3pcb s ARG 457 CO -0.02 0.02 1.12 -2.14 -0.68 0.00 0.00 175.30 173.59 3pcb s PRO 458 N -0.33 1.15 0.31 3.54 0.02 -1.26 -2.87 135.00 135.56 3pcb s PRO 458 Ca 0.51 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.59 3pcb s PRO 458 Cb -0.31 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3pcb s PRO 458 CO 0.36 -2.48 1.52 0.00 -0.33 0.00 0.00 177.00 176.07 3pcb s ALA 459 N -2.71 3.66 0.12 -1.55 0.00 -1.26 -4.70 121.76 115.33 3pcb s ALA 459 Ca 0.65 1.51 -0.20 0.00 0.00 0.00 0.00 51.96 53.93 3pcb s ALA 459 Cb -0.21 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.35 3pcb s ALA 459 CO 0.58 -0.94 0.50 -3.38 0.00 0.00 0.00 175.76 172.52 3pcb s HIS 460 N -0.38 -0.38 -0.11 0.00 -3.43 -1.26 -4.08 115.29 105.65 3pcb s HIS 460 Ca 0.59 0.19 0.03 0.00 -0.80 0.00 0.00 55.06 55.06 3pcb s HIS 460 Cb -0.46 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.08 3pcb s HIS 460 CO 0.52 -0.75 -0.19 0.42 -2.00 0.00 0.00 174.74 172.73 3pcb s ILE 461 N -3.49 2.48 0.09 -5.38 1.01 -0.64 -4.62 121.20 110.64 3pcb s ILE 461 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 3pcb s ILE 461 Cb 0.00 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.43 3pcb s ILE 461 CO -0.10 0.55 0.84 -1.00 0.00 0.00 0.00 174.94 175.23 3pcb s HIS 462 N 0.27 3.80 0.11 3.97 3.76 -0.12 -0.54 115.29 126.54 3pcb s HIS 462 Ca -0.14 1.63 0.08 0.00 -0.15 0.00 0.00 55.06 56.48 3pcb s HIS 462 Cb -0.17 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 3pcb s HIS 462 CO 0.07 0.29 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.99 3pcb s PHE 463 N -0.24 1.77 -0.05 1.40 0.40 -0.24 -2.08 117.98 118.94 3pcb s PHE 463 Ca 0.41 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 3pcb s PHE 463 Cb -0.22 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.37 3pcb s PHE 463 CO 0.26 0.21 -0.04 0.20 0.70 0.00 0.00 175.22 176.56 3pcb s GLY 464 N -1.99 0.46 -0.05 4.36 0.00 0.51 -0.84 107.32 109.78 3pcb s GLY 464 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3pcb s GLY 464 CO 0.04 0.57 -0.06 -0.42 0.00 0.00 0.00 173.10 173.24 3pcb s ILE 465 N 1.12 0.67 -0.12 0.90 1.09 0.48 -0.88 121.20 124.46 3pcb s ILE 465 Ca -0.08 -0.19 -0.14 0.00 -1.10 0.00 0.00 60.65 59.14 3pcb s ILE 465 Cb -0.14 -0.68 -0.12 0.00 -1.06 0.00 0.00 42.46 40.46 3pcb s ILE 465 CO -0.01 0.26 0.35 0.77 -0.10 0.00 0.00 174.94 176.21 3pcb h SER 466 N 7.22 0.00 -3.70 3.58 4.64 -1.47 -0.51 113.55 123.32 3pcb h SER 466 Ca -0.35 -0.47 0.08 0.00 -0.47 0.00 0.00 61.79 60.59 3pcb h SER 466 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3pcb h SER 466 CO 0.46 0.76 -0.11 0.61 -0.87 0.00 0.00 176.83 177.68 3pcb n GLY 467 N 1.69 -2.10 0.26 -0.77 0.00 -1.26 -2.79 105.19 100.21 3pcb n GLY 467 Ca -0.06 -1.42 0.18 0.00 0.00 0.00 0.00 46.02 44.72 3pcb n GLY 467 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcb h PRO 468 N 0.00 0.00 -3.32 1.61 0.13 -1.94 -3.46 132.00 125.02 3pcb h PRO 468 Ca 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3pcb h PRO 468 Cb 0.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.37 3pcb h PRO 468 CO 0.00 0.00 0.10 -1.54 -0.23 0.00 0.00 178.00 176.33 3pcb s SER 469 N -5.14 0.04 0.16 1.44 1.04 -1.26 -3.62 113.70 106.36 3pcb s SER 469 Ca -0.01 -0.99 0.22 0.00 0.48 0.00 0.00 55.95 55.65 3pcb s SER 469 Cb 0.10 0.73 0.88 0.00 0.10 0.00 0.00 66.02 67.82 3pcb s SER 469 CO 0.45 -1.40 1.67 2.30 0.98 0.00 0.00 173.24 177.23 3pcb n ILE 470 N -0.48 0.79 0.16 -1.02 -5.35 -0.29 -2.08 119.36 111.09 3pcb n ILE 470 Ca -0.04 0.16 0.04 0.00 -0.27 0.00 0.00 62.75 62.63 3pcb n ILE 470 Cb 0.60 -1.00 0.15 0.00 -1.74 0.00 0.00 39.64 37.65 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 2.41 0.79 0.00 -1.28 0.00 -1.77 -3.28 119.26 116.12 3pcb h ALA 471 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3pcb h ALA 471 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3pcb h ALA 471 CO 0.00 0.56 -1.41 0.25 0.00 0.00 0.00 179.25 178.65 3pcb n THR 472 N -3.32 0.35 -1.63 0.00 -2.24 -0.88 -4.93 114.28 101.62 3pcb n THR 472 Ca 0.01 -0.51 -0.48 0.00 -2.27 0.00 0.00 64.05 60.80 3pcb n THR 472 Cb 0.65 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.47 1.69 -3.90 -0.78 3.00 -1.06 -4.75 118.16 109.89 3pcb n LYS 473 Ca -0.02 0.61 -0.11 0.00 -0.00 0.00 0.00 58.31 58.79 3pcb n LYS 473 Cb 0.55 -2.26 -0.11 0.00 0.00 0.00 0.00 35.03 33.21 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 0.53 1.84 -0.09 3.14 2.96 -0.20 -5.01 118.68 121.86 3pcb s LEU 474 Ca 0.76 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3pcb s LEU 474 Cb -0.77 0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.29 3pcb s LEU 474 CO 0.46 -0.26 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.39 3pcb s ILE 475 N -1.04 1.83 0.00 6.68 1.01 -1.26 -0.39 121.20 128.03 3pcb s ILE 475 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3pcb s ILE 475 Cb -0.07 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.82 3pcb s ILE 475 CO 0.00 0.51 0.00 1.07 0.00 0.00 0.00 174.94 176.52 3pcb n THR 476 N 3.52 0.00 -3.77 2.92 5.66 -0.02 -5.01 114.28 117.59 3pcb n THR 476 Ca -0.20 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 3pcb n THR 476 Cb 0.53 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.17 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 -1.38 0.13 -0.06 1.09 -0.21 -1.26 -1.08 119.66 116.90 3pcb s GLN 477 Ca 0.00 0.34 -0.14 0.00 0.02 0.00 0.00 55.36 55.59 3pcb s GLN 477 Cb 0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.87 3pcb s GLN 477 CO 0.00 -0.12 0.35 -1.17 -2.12 0.00 0.00 175.29 172.23 3pcb s LEU 478 N 0.85 4.41 0.30 2.90 0.20 0.30 -4.83 118.68 122.82 3pcb s LEU 478 Ca -0.06 0.79 0.10 0.00 0.69 0.00 0.00 54.13 55.65 3pcb s LEU 478 Cb -0.08 -2.47 -0.05 0.00 -0.43 0.00 0.00 46.19 43.15 3pcb s LEU 478 CO -0.04 0.27 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.89 3pcb s TYR 479 N -0.67 2.46 -0.12 5.38 2.02 0.10 -1.63 117.35 124.89 3pcb s TYR 479 Ca 0.21 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3pcb s TYR 479 Cb -0.15 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3pcb s TYR 479 CO 0.10 0.62 0.01 -0.06 -1.57 0.00 0.00 175.55 174.65 3pcb s PHE 480 N -2.48 3.17 -0.03 2.71 0.40 -1.26 -0.07 117.98 120.41 3pcb s PHE 480 Ca 0.32 0.08 -0.38 0.00 -0.60 0.00 0.00 56.93 56.35 3pcb s PHE 480 Cb -0.03 -1.89 -0.17 0.00 0.51 0.00 0.00 43.02 41.44 3pcb s PHE 480 CO 0.17 0.31 1.44 -1.91 0.70 0.00 0.00 175.22 175.93 3pcb n GLU 481 N 2.72 1.05 -0.11 0.44 2.13 -0.72 -2.24 120.64 123.91 3pcb n GLU 481 Ca -0.18 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3pcb n GLU 481 Cb 0.53 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 2.93 2.18 3.58 8.31 0.00 -1.26 -5.00 105.19 115.93 3pcb n GLY 482 Ca 0.21 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.73 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 2.79 0.28 1.61 -0.08 -0.95 -4.86 116.55 115.34 3pcb n ASP 483 Ca 0.00 0.64 0.18 0.00 -1.51 0.00 0.00 54.79 54.10 3pcb n ASP 483 Cb 0.00 -1.33 0.78 0.00 2.34 0.00 0.00 41.12 42.91 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 11.20 0.00 0.00 -0.67 0.13 -1.94 -2.47 132.00 138.25 3pcb h PRO 484 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3pcb h PRO 484 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3pcb h PRO 484 CO 0.98 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.54 3pcb h LEU 485 N 0.00 0.00 -0.36 1.56 3.38 -1.95 -3.37 115.31 114.57 3pcb h LEU 485 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3pcb h LEU 485 Cb 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3pcb h LEU 485 CO 0.00 0.14 -0.51 0.40 0.09 0.00 0.00 178.44 178.56 3pcb h ILE 486 N 0.00 0.00 0.00 1.22 2.04 -1.82 -1.31 117.51 117.64 3pcb h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcb h ILE 486 Cb 0.76 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3pcb h ILE 486 CO 0.02 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.36 3pcb n PRO 487 N -5.12 0.06 0.00 2.37 -0.04 -1.26 -2.54 135.00 128.47 3pcb n PRO 487 Ca -0.03 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 3pcb n PRO 487 Cb 0.31 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.41 0.51 -2.59 0.54 2.81 -0.51 -4.96 117.12 111.51 3pcb n MET 488 Ca 0.03 -0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3pcb n MET 488 Cb 0.09 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 7.48 0.33 -0.23 0.00 0.11 -1.91 0.42 132.00 138.21 3pcb h PRO 490 Ca -0.27 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3pcb h PRO 490 Cb 1.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3pcb h PRO 490 CO 0.92 0.43 -0.10 0.82 -0.21 0.00 0.00 178.00 179.87 3pcb h ILE 491 N 0.32 1.30 0.08 4.15 2.04 -1.92 -1.87 117.51 121.61 3pcb h ILE 491 Ca 0.07 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3pcb h ILE 491 Cb 0.36 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3pcb h ILE 491 CO 0.02 0.36 -0.06 0.58 0.00 0.00 0.00 178.15 179.05 3pcb h VAL 492 N 0.19 0.87 0.00 1.67 2.07 -1.76 -1.29 116.25 117.99 3pcb h VAL 492 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3pcb h VAL 492 Cb 0.60 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3pcb h VAL 492 CO 0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.91 3pcb n LYS 493 N -5.17 0.11 0.29 1.57 5.02 0.09 -1.16 118.16 118.93 3pcb n LYS 493 Ca -0.07 0.17 0.18 0.00 -2.02 0.00 0.00 58.31 56.56 3pcb n LYS 493 Cb 0.10 -1.50 0.87 0.00 -0.02 0.00 0.00 35.03 34.48 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 -3.53 4.39 4.64 -0.36 -3.38 113.55 115.31 3pcb h SER 494 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3pcb h SER 494 Cb 0.04 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.01 3pcb h SER 494 CO 0.00 0.03 0.29 -0.63 -0.87 0.00 0.00 176.83 175.66 3pcb s ILE 495 N -3.95 4.80 0.27 0.95 1.01 -0.31 -3.99 121.20 119.97 3pcb s ILE 495 Ca -0.02 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.46 3pcb s ILE 495 Cb 0.11 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.46 3pcb s ILE 495 CO 0.51 -0.37 1.67 0.00 0.00 0.00 0.00 174.94 176.75 3pcb h ALA 496 N 8.44 1.03 -2.77 9.38 0.00 -1.85 -3.43 119.26 130.05 3pcb h ALA 496 Ca -0.25 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 3pcb h ALA 496 Cb 1.10 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3pcb h ALA 496 CO 0.88 0.60 -0.19 1.21 0.00 0.00 0.00 179.25 181.75 3pcb s ASN 497 N -6.85 6.37 0.41 0.00 3.04 -1.26 -4.96 114.94 111.70 3pcb s ASN 497 Ca -0.06 0.44 0.09 0.00 0.04 0.00 0.00 52.86 53.36 3pcb s ASN 497 Cb 0.13 -2.23 0.89 0.00 -1.54 0.00 0.00 41.25 38.50 3pcb s ASN 497 CO 0.79 -0.14 2.03 1.55 -3.04 0.00 0.00 177.10 178.29 3pcb h PRO 498 N 7.74 0.52 -0.22 0.43 0.13 -2.00 0.30 132.00 138.90 3pcb h PRO 498 Ca -0.33 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.69 0.35 -0.07 0.93 -0.23 0.00 0.00 178.00 179.67 3pcb h GLU 499 N 0.54 0.34 -0.31 0.86 5.08 -1.97 -1.66 114.58 117.45 3pcb h GLU 499 Ca 0.19 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3pcb h GLU 499 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3pcb h GLU 499 CO -0.05 0.43 -0.43 0.00 -1.00 0.00 0.00 179.01 177.96 3pcb h ALA 500 N 1.61 0.64 -0.86 3.43 0.00 -1.30 -2.98 119.26 119.79 3pcb h ALA 500 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3pcb h ALA 500 Cb 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3pcb h ALA 500 CO 0.02 0.67 0.55 0.28 0.00 0.00 0.00 179.25 180.77 3pcb h VAL 501 N 0.64 1.11 -0.55 0.00 2.07 -0.94 -2.28 116.25 116.30 3pcb h VAL 501 Ca 0.04 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3pcb h VAL 501 Cb 1.00 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3pcb h VAL 501 CO 0.10 0.19 0.37 1.56 0.02 0.00 0.00 177.57 179.81 3pcb h GLN 502 N 1.05 0.40 0.00 1.57 1.08 -1.17 -1.05 115.11 117.00 3pcb h GLN 502 Ca 0.36 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3pcb h GLN 502 Cb 0.06 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3pcb h GLN 502 CO -0.14 0.27 -0.07 1.96 -0.95 0.00 0.00 178.83 179.90 3pcb h GLN 503 N 0.42 0.00 -0.02 1.46 4.20 -1.42 -2.68 115.11 117.07 3pcb h GLN 503 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3pcb h GLN 503 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3pcb h GLN 503 CO -0.07 0.07 -0.07 1.28 -0.67 0.00 0.00 178.83 179.38 3pcb n LEU 504 N -3.58 1.58 -4.56 1.46 4.77 -0.40 -4.87 117.00 111.40 3pcb n LEU 504 Ca -0.02 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 3pcb n LEU 504 Cb 0.19 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3pcb n LEU 504 CO 0.28 0.27 0.14 -0.63 -1.33 0.00 0.00 177.39 176.12 3pcb s ILE 505 N -2.12 5.09 0.23 -0.08 1.01 -1.01 -0.72 121.20 123.61 3pcb s ILE 505 Ca 0.34 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3pcb s ILE 505 Cb 0.20 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3pcb s ILE 505 CO 0.38 -0.11 1.14 0.00 0.00 0.00 0.00 174.94 176.35 3pcb s ALA 506 N 2.22 3.42 -0.07 9.38 0.00 0.89 -4.84 121.76 132.76 3pcb s ALA 506 Ca 0.16 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 52.99 3pcb s ALA 506 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3pcb s ALA 506 CO 0.12 -0.27 0.15 0.15 0.00 0.00 0.00 175.76 175.91 3pcb s LYS 507 N -0.88 3.40 0.24 0.00 -0.14 -0.92 -1.76 119.74 119.68 3pcb s LYS 507 Ca 0.48 -0.24 -0.31 0.00 -1.36 0.00 0.00 55.97 54.55 3pcb s LYS 507 Cb -0.32 -3.12 -0.11 0.00 -1.68 0.00 0.00 37.83 32.60 3pcb s LYS 507 CO 0.39 0.73 1.61 -1.17 -0.76 0.00 0.00 175.35 176.15 3pcb s LEU 508 N -1.43 4.36 -0.50 3.17 2.96 -1.26 -0.46 118.68 125.52 3pcb s LEU 508 Ca 0.20 2.84 0.03 0.00 -0.22 0.00 0.00 54.13 56.98 3pcb s LEU 508 Cb -0.12 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.10 3pcb s LEU 508 CO 0.10 -0.89 0.31 -0.62 -1.32 0.00 0.00 176.35 173.93 3pcb s ASP 509 N 0.78 3.71 0.45 3.68 2.15 0.18 -4.84 116.67 122.79 3pcb s ASP 509 Ca 0.67 -3.00 0.11 0.00 0.43 0.00 0.00 52.55 50.76 3pcb s ASP 509 Cb -0.47 -1.17 1.02 0.00 -0.30 0.00 0.00 42.92 41.99 3pcb s ASP 509 CO 0.40 -0.21 2.08 0.24 -0.17 0.00 0.00 175.17 177.51 3pcb h MET 510 N 6.27 0.30 -0.07 4.34 2.86 -1.93 -2.54 114.93 124.16 3pcb h MET 510 Ca 0.05 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3pcb h MET 510 Cb 0.88 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3pcb h MET 510 CO 0.55 0.22 -0.20 -0.91 1.06 0.00 0.00 176.91 177.62 3pcb h ASN 511 N 0.31 0.11 0.08 1.22 2.35 -1.94 -2.80 115.58 114.90 3pcb h ASN 511 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3pcb h ASN 511 Cb -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3pcb h ASN 511 CO -0.01 0.32 -0.47 -3.20 -1.65 0.00 0.00 177.43 172.41 3pcb n ASN 512 N -4.25 1.59 -4.79 5.81 5.15 -0.97 -4.97 115.26 112.83 3pcb n ASN 512 Ca -0.02 -1.24 -0.33 0.00 -0.60 0.00 0.00 54.58 52.39 3pcb n ASN 512 Cb 0.29 0.43 0.03 0.00 -0.53 0.00 0.00 39.78 40.00 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 -2.56 2.62 -0.41 5.20 0.00 -1.06 -4.78 121.76 120.77 3pcb s ALA 513 Ca 0.19 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3pcb s ALA 513 Cb 0.18 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 20.08 3pcb s ALA 513 CO 0.59 -1.02 0.27 -0.80 0.00 0.00 0.00 175.76 174.81 3pcb s ASN 514 N -2.64 5.82 0.28 0.00 0.01 -0.01 -5.01 114.94 113.39 3pcb s ASN 514 Ca 0.66 -1.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.29 3pcb s ASN 514 Cb -0.18 -2.05 -0.14 0.00 0.41 0.00 0.00 41.25 39.28 3pcb s ASN 514 CO 0.38 -0.49 1.15 -2.65 -1.51 0.00 0.00 177.10 173.98 3pcb n PRO 515 N 5.03 1.62 -1.60 -0.60 -0.02 -1.26 -0.83 135.00 137.33 3pcb n PRO 515 Ca -0.11 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 3pcb n PRO 515 Cb 0.45 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.96 -1.34 0.00 -0.52 2.81 -1.26 -4.73 117.12 113.04 3pcb n MET 516 Ca 0.09 1.16 0.00 0.00 -1.81 0.00 0.00 57.70 57.14 3pcb n MET 516 Cb 0.32 -5.48 0.00 0.00 -0.71 0.00 0.00 33.22 27.35 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 -1.11 0.00 -3.80 7.83 -0.08 -0.01 -5.16 116.55 114.23 3pcb n ASP 517 Ca -0.19 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.98 3pcb n ASP 517 Cb 0.63 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.01 3pcb n ASP 517 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3pcb s LEU 519 N -2.20 2.91 -0.03 0.00 1.43 -1.05 -0.83 118.68 118.90 3pcb s LEU 519 Ca -0.03 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3pcb s LEU 519 Cb -0.00 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3pcb s LEU 519 CO -0.05 -2.11 0.28 0.00 0.23 0.00 0.00 176.35 174.70 3pcb s ALA 520 N -3.30 -0.69 0.01 4.21 0.00 -1.26 -0.76 121.76 119.97 3pcb s ALA 520 Ca 0.69 0.33 0.07 0.00 0.00 0.00 0.00 51.96 53.05 3pcb s ALA 520 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3pcb s ALA 520 CO 0.46 -0.23 -0.21 0.71 0.00 0.00 0.00 175.76 176.50 3pcb s TYR 521 N -1.08 1.83 -0.20 0.00 1.51 0.49 0.52 117.35 120.43 3pcb s TYR 521 Ca -0.11 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3pcb s TYR 521 Cb -0.05 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3pcb s TYR 521 CO 0.03 0.03 -0.03 0.50 -1.11 0.00 0.00 175.55 174.98 3pcb s ARG 522 N -0.83 3.53 -0.28 -0.62 6.06 0.39 -1.74 118.95 125.46 3pcb s ARG 522 Ca 0.08 -0.57 -0.02 0.00 -2.50 0.00 0.00 55.73 52.72 3pcb s ARG 522 Cb -0.08 -3.01 0.09 0.00 0.06 0.00 0.00 34.95 32.01 3pcb s ARG 522 CO 0.01 -0.02 0.09 0.12 -2.50 0.00 0.00 175.30 173.00 3pcb s PHE 523 N 1.05 1.11 0.05 5.12 5.36 0.92 -2.16 117.98 129.43 3pcb s PHE 523 Ca 0.01 -1.26 -0.11 0.00 -0.96 0.00 0.00 56.93 54.61 3pcb s PHE 523 Cb -0.15 -1.30 -0.06 0.00 -0.34 0.00 0.00 43.02 41.17 3pcb s PHE 523 CO 0.01 -0.80 0.39 -0.51 -1.46 0.00 0.00 175.22 172.85 3pcb s ASP 524 N 1.83 6.68 -0.07 6.13 1.01 -1.26 -3.90 116.67 127.09 3pcb s ASP 524 Ca 0.07 0.83 0.05 0.00 0.71 0.00 0.00 52.55 54.21 3pcb s ASP 524 Cb -0.17 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 3pcb s ASP 524 CO -0.25 0.23 -0.23 -0.63 0.21 0.00 0.00 175.17 174.50 3pcb s ILE 525 N -1.29 1.93 -0.24 0.77 1.01 0.44 -4.94 121.20 118.88 3pcb s ILE 525 Ca 0.29 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3pcb s ILE 525 Cb -0.15 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3pcb s ILE 525 CO 0.16 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.90 3pcb s VAL 526 N 0.03 3.11 0.24 2.92 1.01 -1.25 -1.07 120.40 125.39 3pcb s VAL 526 Ca -0.08 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3pcb s VAL 526 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3pcb s VAL 526 CO 0.05 0.27 0.37 -0.76 0.00 0.00 0.00 175.10 175.03 3pcb s LEU 527 N 1.39 4.30 0.31 3.92 1.43 0.70 -4.93 118.68 125.80 3pcb s LEU 527 Ca 0.02 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 3pcb s LEU 527 Cb -0.16 -2.91 -0.14 0.00 0.03 0.00 0.00 46.19 43.02 3pcb s LEU 527 CO -0.04 -0.07 1.03 0.54 0.23 0.00 0.00 176.35 178.04 3pcb n ARG 528 N -1.32 1.43 -1.94 1.70 1.74 -1.26 -1.00 116.66 116.00 3pcb n ARG 528 Ca -0.08 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.08 3pcb n ARG 528 Cb 0.57 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -0.55 2.27 -0.21 -0.13 0.00 -1.26 -4.26 107.32 103.19 3pcb s GLY 529 Ca 0.59 1.40 -0.06 0.00 0.00 0.00 0.00 44.72 46.65 3pcb s GLY 529 CO 0.60 2.36 0.02 1.62 0.00 0.00 0.00 173.10 177.70 3pcb s GLN 530 N -0.44 3.65 0.25 2.90 0.74 -1.26 -0.55 119.66 124.94 3pcb s GLN 530 Ca 0.60 -0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.55 3pcb s GLN 530 Cb -0.44 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3pcb s GLN 530 CO 0.45 -0.00 -0.01 -0.98 -0.55 0.00 0.00 175.29 174.20 3pcb s ARG 531 N 1.06 1.41 0.38 1.67 1.70 -0.34 -4.98 118.95 119.85 3pcb s ARG 531 Ca 0.02 -1.72 -0.19 0.00 -0.47 0.00 0.00 55.73 53.37 3pcb s ARG 531 Cb -0.14 -0.75 -0.10 0.00 -0.57 0.00 0.00 34.95 33.39 3pcb s ARG 531 CO 0.02 -0.08 0.87 -1.59 -1.08 0.00 0.00 175.30 173.45 3pcb s LYS 532 N -3.84 4.19 0.52 3.89 -2.85 -1.26 -0.23 119.74 120.16 3pcb s LYS 532 Ca 0.29 0.99 -0.20 0.00 -1.00 0.00 0.00 55.97 56.05 3pcb s LYS 532 Cb 0.05 -2.33 -0.07 0.00 -2.06 0.00 0.00 37.83 33.42 3pcb s LYS 532 CO 0.10 0.07 1.09 0.95 0.10 0.00 0.00 175.35 177.66 3pcb s THR 533 N -2.05 3.45 -0.09 3.79 -4.23 -1.18 -4.73 115.64 110.61 3pcb s THR 533 Ca 0.58 0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 61.86 3pcb s THR 533 Cb -0.10 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.41 3pcb s THR 533 CO 0.15 -0.21 0.31 -1.38 -0.54 0.00 0.00 174.62 172.95 3pcb s HIS 534 N -1.90 -0.30 -0.73 3.99 -3.43 -1.26 -4.90 115.29 106.77 3pcb s HIS 534 Ca 0.70 0.69 0.00 0.00 -0.80 0.00 0.00 55.06 55.65 3pcb s HIS 534 Cb -0.20 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 3pcb s HIS 534 CO 0.25 -0.22 0.00 1.19 -2.00 0.00 0.00 174.74 173.96 3pcb n PHE 535 N 2.52 -1.58 0.36 0.38 3.72 -1.26 -5.25 117.46 116.36 3pcb n PHE 535 Ca -0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.28 3pcb n PHE 535 Cb 0.57 -2.20 0.17 0.00 -0.94 0.00 0.00 39.48 37.09 3pcb n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10