#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcj s ALA 302 N 0.00 2.64 0.07 3.55 0.00 -1.26 -5.05 121.76 121.71 3pcj s ALA 302 Ca 0.00 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3pcj s ALA 302 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3pcj s ALA 302 CO 0.00 -0.95 -0.12 -0.65 0.00 0.00 0.00 175.76 174.04 3pcj s GLN 303 N -3.97 0.75 -1.10 0.00 -0.21 -1.26 -5.08 119.66 108.79 3pcj s GLN 303 Ca 0.66 -0.93 -0.22 0.00 0.02 0.00 0.00 55.36 54.89 3pcj s GLN 303 Cb -0.18 -0.67 0.04 0.00 1.00 0.00 0.00 33.01 33.19 3pcj s GLN 303 CO 0.37 0.14 1.63 0.34 -2.12 0.00 0.00 175.29 175.65 3pcj s ASP 304 N -1.79 6.35 0.00 5.90 2.15 -1.26 -4.62 116.67 123.40 3pcj s ASP 304 Ca -0.03 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.27 3pcj s ASP 304 Cb -0.09 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3pcj s ASP 304 CO 0.02 -1.65 0.44 -0.46 -0.17 0.00 0.00 175.17 173.34 3pcj n ASN 305 N 9.69 0.87 -4.31 -0.34 0.23 -1.26 -5.03 115.26 115.12 3pcj n ASN 305 Ca 0.39 -0.96 -0.19 0.00 -0.53 0.00 0.00 54.58 53.30 3pcj n ASN 305 Cb 0.49 0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 38.16 3pcj n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pcj s SER 306 N -0.08 2.36 0.03 0.53 0.01 -1.26 -3.48 113.70 111.81 3pcj s SER 306 Ca 0.00 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 56.38 3pcj s SER 306 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3pcj s SER 306 CO 0.00 -0.15 -0.17 -0.13 0.41 0.00 0.00 173.24 173.20 3pcj s ARG 307 N -3.24 1.17 -0.07 12.44 1.81 -0.45 -4.86 118.95 125.76 3pcj s ARG 307 Ca 0.17 -0.77 0.03 0.00 -1.72 0.00 0.00 55.73 53.44 3pcj s ARG 307 Cb -0.02 -1.21 -0.02 0.00 -0.45 0.00 0.00 34.95 33.25 3pcj s ARG 307 CO 0.05 0.31 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.77 3pcj s PHE 308 N -0.71 2.68 0.20 -0.53 0.40 -1.26 -1.37 117.98 117.39 3pcj s PHE 308 Ca 0.05 -0.35 -0.33 0.00 -0.60 0.00 0.00 56.93 55.71 3pcj s PHE 308 Cb -0.08 -1.67 -0.14 0.00 0.51 0.00 0.00 43.02 41.64 3pcj s PHE 308 CO 0.01 0.04 1.44 0.28 0.70 0.00 0.00 175.22 177.69 3pcj n VAL 309 N 2.67 0.57 -1.78 -0.44 0.31 0.07 -4.87 118.33 114.86 3pcj n VAL 309 Ca -0.17 -0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 3pcj n VAL 309 Cb 0.52 -1.41 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 3pcj n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pcj s ILE 310 N 0.28 2.05 0.45 2.52 -1.09 -1.26 -4.66 121.20 119.50 3pcj s ILE 310 Ca 0.73 0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.95 3pcj s ILE 310 Cb -0.69 -3.03 -0.08 0.00 -1.58 0.00 0.00 42.46 37.08 3pcj s ILE 310 CO 0.46 0.01 1.33 -0.13 -1.23 0.00 0.00 174.94 175.38 3pcj s ARG 311 N -0.96 3.69 -0.65 2.79 0.52 -1.26 -4.97 118.95 118.11 3pcj s ARG 311 Ca 0.60 2.19 -0.17 0.00 -0.52 0.00 0.00 55.73 57.83 3pcj s ARG 311 Cb -0.48 -2.58 0.13 0.00 0.52 0.00 0.00 34.95 32.55 3pcj s ARG 311 CO 0.52 -0.74 0.70 0.34 0.02 0.00 0.00 175.30 176.14 3pcj s ASP 312 N -0.80 6.32 0.00 0.23 -1.08 -1.26 -4.91 116.67 115.17 3pcj s ASP 312 Ca 0.62 -1.80 0.21 0.00 -0.52 0.00 0.00 52.55 51.07 3pcj s ASP 312 Cb -0.39 -2.27 1.27 0.00 -1.46 0.00 0.00 42.92 40.08 3pcj s ASP 312 CO 0.49 -0.95 1.66 0.54 0.52 0.00 0.00 175.17 177.43 3pcj n ARG 313 N 5.66 0.70 -0.00 4.34 1.74 -1.26 -1.92 116.66 125.92 3pcj n ARG 313 Ca -0.04 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.13 3pcj n ARG 313 Cb 0.43 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.28 3pcj n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pcj n ASN 314 N -0.98 0.84 -0.07 0.55 3.02 -1.26 -4.28 115.26 113.08 3pcj n ASN 314 Ca 0.16 -0.81 -0.22 0.00 -0.03 0.00 0.00 54.58 53.67 3pcj n ASN 314 Cb 0.07 1.14 -0.12 0.00 -0.61 0.00 0.00 39.78 40.26 3pcj n ASN 314 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3pcj n TRP 315 N -1.57 0.78 -1.35 3.10 -0.00 -0.81 -4.71 117.44 112.89 3pcj n TRP 315 Ca 0.03 0.23 -0.31 0.00 -0.00 0.00 0.00 57.50 57.45 3pcj n TRP 315 Cb 0.33 -1.09 0.09 0.00 -0.00 0.00 0.00 31.31 30.64 3pcj n TRP 315 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 3pcj s HIS 316 N -2.49 2.70 0.64 5.87 3.76 -1.06 -4.72 115.29 120.00 3pcj s HIS 316 Ca -0.29 1.46 -0.17 0.00 -0.15 0.00 0.00 55.06 55.91 3pcj s HIS 316 Cb 0.08 -3.02 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 3pcj s HIS 316 CO 0.65 -1.71 1.19 -1.25 -0.85 0.00 0.00 174.74 172.76 3pcj s PRO 317 N -4.96 2.70 0.63 8.40 0.04 -1.26 -4.79 135.00 135.75 3pcj s PRO 317 Ca 0.61 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 3pcj s PRO 317 Cb -0.16 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3pcj s PRO 317 CO 0.56 -1.40 0.97 0.15 0.04 0.00 0.00 177.00 177.32 3pcj s LYS 318 N -3.62 2.97 0.07 4.56 -0.14 -1.24 -4.97 119.74 117.37 3pcj s LYS 318 Ca 0.75 0.21 -0.22 0.00 -1.36 0.00 0.00 55.97 55.35 3pcj s LYS 318 Cb -0.29 -2.18 -0.13 0.00 -1.68 0.00 0.00 37.83 33.55 3pcj s LYS 318 CO 0.38 -0.78 1.58 0.00 -0.76 0.00 0.00 175.35 175.77 3pcj h ALA 319 N -0.33 0.12 -2.34 5.17 0.00 -1.95 -3.40 119.26 116.53 3pcj h ALA 319 Ca -0.45 -0.11 -0.71 0.00 0.00 0.00 0.00 54.91 53.64 3pcj h ALA 319 Cb 1.25 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 3pcj h ALA 319 CO 0.62 -0.28 -0.24 -1.17 0.00 0.00 0.00 179.25 178.18 3pcj s LEU 320 N -9.79 5.10 -0.40 0.00 2.96 -1.26 -4.75 118.68 110.53 3pcj s LEU 320 Ca -0.14 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 52.89 3pcj s LEU 320 Cb 0.06 -2.30 0.15 0.00 0.50 0.00 0.00 46.19 44.59 3pcj s LEU 320 CO 0.69 -0.62 0.28 0.42 -1.32 0.00 0.00 176.35 175.80 3pcj s THR 321 N 2.01 0.53 0.53 3.68 -4.23 -1.26 -5.04 115.64 111.85 3pcj s THR 321 Ca 0.09 -2.33 0.39 0.00 -1.18 0.00 0.00 61.69 58.67 3pcj s THR 321 Cb -0.19 -1.38 0.60 0.00 1.34 0.00 0.00 72.50 72.87 3pcj s THR 321 CO 0.11 -1.08 1.71 -0.65 -0.54 0.00 0.00 174.62 174.17 3pcj h PRO 322 N 6.35 0.04 0.00 3.99 0.11 -1.93 -0.89 132.00 139.66 3pcj h PRO 322 Ca 0.14 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 3pcj h PRO 322 Cb 0.93 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3pcj h PRO 322 CO 0.36 0.02 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.59 3pcj h ASP 323 N 0.04 0.00 -3.54 -2.05 3.32 -1.96 -3.25 116.42 108.98 3pcj h ASP 323 Ca 0.71 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.99 3pcj h ASP 323 Cb 2.73 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 42.04 3pcj h ASP 323 CO -0.07 0.14 0.06 -0.47 -1.72 0.00 0.00 179.24 177.18 3pcj s TYR 324 N -4.08 3.58 0.20 4.55 5.04 -0.34 -4.84 117.35 121.46 3pcj s TYR 324 Ca -0.02 -1.75 -0.21 0.00 -2.44 0.00 0.00 57.07 52.65 3pcj s TYR 324 Cb 0.13 -3.85 0.14 0.00 0.35 0.00 0.00 41.96 38.73 3pcj s TYR 324 CO 0.59 -1.04 1.57 0.87 -1.34 0.00 0.00 175.55 176.21 3pcj h LYS 325 N 8.16 -0.12 -0.89 4.97 1.57 -1.78 -2.31 116.57 126.18 3pcj h LYS 325 Ca -0.00 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 3pcj h LYS 325 Cb 1.06 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 3pcj h LYS 325 CO 0.85 -0.08 0.58 1.15 -0.57 0.00 0.00 179.45 181.39 3pcj h THR 326 N -0.12 0.74 0.00 -0.16 2.02 -1.92 -1.23 112.91 112.23 3pcj h THR 326 Ca 0.26 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3pcj h THR 326 Cb 0.56 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3pcj h THR 326 CO -0.78 0.09 -0.00 0.77 0.37 0.00 0.00 175.52 175.98 3pcj h SER 327 N 0.51 0.00 0.43 4.18 4.64 -1.71 -3.04 113.55 118.56 3pcj h SER 327 Ca 0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 3pcj h SER 327 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3pcj h SER 327 CO -0.19 0.00 -0.30 0.40 -0.87 0.00 0.00 176.83 175.87 3pcj h ILE 328 N 0.00 0.38 -0.00 0.95 2.04 -1.37 -3.10 117.51 116.41 3pcj h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 328 Cb 0.11 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3pcj h ILE 328 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.87 3pcj n ALA 329 N -2.53 3.08 -1.44 1.87 0.00 -1.21 -4.26 120.51 116.02 3pcj n ALA 329 Ca -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 3pcj n ALA 329 Cb 0.33 -1.22 0.20 0.00 0.00 0.00 0.00 19.45 18.75 3pcj n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pcj n ARG 330 N -1.16 1.88 -4.68 0.00 1.74 -1.15 -4.97 116.66 108.32 3pcj n ARG 330 Ca 0.09 -3.18 -0.25 0.00 -0.77 0.00 0.00 57.85 53.75 3pcj n ARG 330 Cb 0.33 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 29.78 3pcj n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pcj s SER 331 N -2.50 1.90 0.63 0.55 1.04 -1.18 -4.94 113.70 109.21 3pcj s SER 331 Ca 0.45 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 3pcj s SER 331 Cb 0.41 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 3pcj s SER 331 CO 0.00 0.08 1.19 -2.84 0.98 0.00 0.00 173.24 172.65 3pcj s PRO 332 N 0.37 2.78 -0.03 4.02 0.02 -1.26 -4.95 135.00 135.95 3pcj s PRO 332 Ca -0.10 1.73 0.16 0.00 0.02 0.00 0.00 61.00 62.81 3pcj s PRO 332 Cb -0.14 -1.92 -0.24 0.00 0.02 0.00 0.00 34.50 32.23 3pcj s PRO 332 CO 0.03 -1.33 0.34 0.54 -0.33 0.00 0.00 177.00 176.25 3pcj n ARG 333 N -1.96 0.51 -3.13 5.54 5.12 -1.26 -4.94 116.66 116.54 3pcj n ARG 333 Ca 0.13 -0.14 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 3pcj n ARG 333 Cb 0.50 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.38 3pcj n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pcj s GLN 334 N -3.08 3.79 0.50 5.56 -1.52 -1.26 -5.05 119.66 118.61 3pcj s GLN 334 Ca -0.06 0.36 -0.22 0.00 -1.95 0.00 0.00 55.36 53.49 3pcj s GLN 334 Cb 0.10 -2.51 -0.06 0.00 -0.22 0.00 0.00 33.01 30.32 3pcj s GLN 334 CO 0.66 0.13 1.21 0.00 -0.25 0.00 0.00 175.29 177.03 3pcj s ALA 335 N -2.12 2.86 0.47 6.09 0.00 -1.26 -4.99 121.76 122.81 3pcj s ALA 335 Ca 0.49 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 3pcj s ALA 335 Cb -0.11 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3pcj s ALA 335 CO 0.26 -0.89 1.22 -0.51 0.00 0.00 0.00 175.76 175.85 3pcj s LEU 336 N -3.35 4.00 -0.27 0.00 1.43 -1.26 -4.98 118.68 114.25 3pcj s LEU 336 Ca 0.68 2.45 -0.14 0.00 -1.03 0.00 0.00 54.13 56.09 3pcj s LEU 336 Cb -0.31 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 3pcj s LEU 336 CO 0.36 -1.06 0.34 -0.69 0.23 0.00 0.00 176.35 175.53 3pcj s VAL 337 N -1.45 5.20 0.16 -1.59 1.01 -1.26 -5.05 120.40 117.42 3pcj s VAL 337 Ca 0.65 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 3pcj s VAL 337 Cb -0.32 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3pcj s VAL 337 CO 0.39 0.18 1.13 -0.44 0.00 0.00 0.00 175.10 176.37 3pcj s SER 338 N 1.64 7.20 0.06 3.32 0.01 -1.26 -5.04 113.70 119.64 3pcj s SER 338 Ca 0.13 2.11 0.03 0.00 1.31 0.00 0.00 55.95 59.53 3pcj s SER 338 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 3pcj s SER 338 CO 0.10 -0.29 -0.09 0.27 0.41 0.00 0.00 173.24 173.64 3pcj s ILE 339 N -0.03 0.71 0.53 1.44 -4.36 -1.26 -5.14 121.20 113.08 3pcj s ILE 339 Ca 0.51 -1.32 -0.19 0.00 -0.26 0.00 0.00 60.65 59.39 3pcj s ILE 339 Cb -0.30 -0.95 -0.06 0.00 1.25 0.00 0.00 42.46 42.40 3pcj s ILE 339 CO 0.35 -0.46 1.06 -2.16 0.24 0.00 0.00 174.94 173.96 3pcj s PRO 340 N -2.12 3.57 0.32 0.37 0.04 -1.26 -5.00 135.00 130.93 3pcj s PRO 340 Ca -0.03 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 3pcj s PRO 340 Cb -0.07 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3pcj s PRO 340 CO -0.00 -0.62 1.13 -0.65 0.04 0.00 0.00 177.00 176.90 3pcj s GLN 341 N -3.54 4.43 0.35 4.56 -0.21 -1.26 -5.02 119.66 118.97 3pcj s GLN 341 Ca 0.67 1.81 0.08 0.00 0.02 0.00 0.00 55.36 57.93 3pcj s GLN 341 Cb -0.17 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 3pcj s GLN 341 CO 0.27 0.02 0.28 -1.13 -2.12 0.00 0.00 175.29 172.61 3pcj n SER 342 N 0.76 -0.54 0.04 5.90 3.41 -1.26 -5.03 113.62 116.89 3pcj n SER 342 Ca 0.01 -3.24 0.13 0.00 -0.26 0.00 0.00 58.87 55.51 3pcj n SER 342 Cb 0.45 1.65 0.59 0.00 -0.26 0.00 0.00 64.21 66.65 3pcj n SER 342 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3pcj h ILE 343 N 2.06 0.88 -0.84 -1.33 2.10 -1.96 -0.92 117.51 117.50 3pcj h ILE 343 Ca -0.25 -0.06 0.03 0.00 1.08 0.00 0.00 64.86 65.66 3pcj h ILE 343 Cb 1.23 0.69 -0.05 0.00 -1.09 0.00 0.00 36.82 37.59 3pcj h ILE 343 CO 0.36 0.03 0.55 0.28 -1.08 0.00 0.00 178.15 178.29 3pcj h SER 344 N 0.18 0.92 0.40 2.19 0.02 -1.96 -3.03 113.55 112.27 3pcj h SER 344 Ca 0.19 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 3pcj h SER 344 Cb 0.53 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3pcj h SER 344 CO -0.03 0.64 -1.73 -0.62 -1.14 0.00 0.00 176.83 173.96 3pcj n GLU 345 N -4.54 0.64 0.00 3.45 4.71 -0.53 -4.44 120.64 119.93 3pcj n GLU 345 Ca 0.10 0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.44 3pcj n GLU 345 Cb 0.06 -1.67 0.47 0.00 -1.01 0.00 0.00 31.44 29.29 3pcj n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pcj n THR 346 N -2.67 0.00 -4.05 2.62 -2.24 -0.46 -2.84 114.28 104.63 3pcj n THR 346 Ca -0.12 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 3pcj n THR 346 Cb 0.81 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 3pcj n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pcj s THR 347 N -2.41 2.78 0.01 4.28 -4.23 -1.15 -4.62 115.64 110.31 3pcj s THR 347 Ca 0.28 -1.66 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 3pcj s THR 347 Cb 0.20 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 71.16 3pcj s THR 347 CO 0.48 -0.11 1.18 -0.83 -0.54 0.00 0.00 174.62 174.79 3pcj s GLY 348 N -3.89 -0.36 0.48 3.99 0.00 -1.22 -0.89 107.32 105.43 3pcj s GLY 348 Ca 0.40 0.65 -0.22 0.00 0.00 0.00 0.00 44.72 45.55 3pcj s GLY 348 CO 0.23 0.14 1.16 2.56 0.00 0.00 0.00 173.10 177.19 3pcj s PRO 349 N -2.68 3.64 -0.20 2.90 0.04 -1.26 -4.85 135.00 132.59 3pcj s PRO 349 Ca 0.13 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 3pcj s PRO 349 Cb 0.02 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3pcj s PRO 349 CO -0.03 -0.64 -0.01 1.21 0.04 0.00 0.00 177.00 177.58 3pcj s ASN 350 N -1.46 4.76 -0.12 6.66 3.84 -1.26 -4.91 114.94 122.45 3pcj s ASN 350 Ca 0.66 -0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.68 3pcj s ASN 350 Cb -0.28 -1.81 0.72 0.00 -0.55 0.00 0.00 41.25 39.33 3pcj s ASN 350 CO 0.33 0.06 1.62 0.49 -2.79 0.00 0.00 177.10 176.81 3pcj n PHE 351 N 4.30 1.51 -0.28 0.43 3.72 -1.26 -4.59 117.46 121.29 3pcj n PHE 351 Ca -0.17 -0.60 0.13 0.00 -0.05 0.00 0.00 57.45 56.76 3pcj n PHE 351 Cb 0.52 -0.26 0.39 0.00 -0.94 0.00 0.00 39.48 39.18 3pcj n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pcj h SER 352 N 4.04 0.64 -0.24 4.37 0.02 -1.96 -1.93 113.55 118.50 3pcj h SER 352 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3pcj h SER 352 Cb 1.47 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3pcj h SER 352 CO 0.25 0.31 0.00 1.41 -1.14 0.00 0.00 176.83 177.65 3pcj n HIS 353 N -4.58 0.30 -2.01 3.45 8.25 -1.26 -4.94 115.22 114.43 3pcj n HIS 353 Ca 0.18 -0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 3pcj n HIS 353 Cb 0.51 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.64 3pcj n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pcj s LEU 354 N -1.62 3.94 -0.70 2.41 2.96 -0.73 -4.91 118.68 120.02 3pcj s LEU 354 Ca 0.35 2.55 -0.22 0.00 -0.22 0.00 0.00 54.13 56.59 3pcj s LEU 354 Cb 0.20 -4.25 0.08 0.00 0.50 0.00 0.00 46.19 42.72 3pcj s LEU 354 CO 0.30 -1.25 1.00 -0.83 -1.32 0.00 0.00 176.35 174.25 3pcj s GLY 355 N -1.13 1.43 0.09 7.98 0.00 -1.26 -5.01 107.32 109.42 3pcj s GLY 355 Ca 0.67 -1.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.18 3pcj s GLY 355 CO 0.42 2.08 0.77 -1.36 0.00 0.00 0.00 173.10 175.01 3pcj s PHE 356 N 3.93 3.80 0.66 1.90 0.40 -1.26 -5.06 117.98 122.35 3pcj s PHE 356 Ca 0.24 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 58.00 3pcj s PHE 356 Cb -0.15 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 3pcj s PHE 356 CO 0.07 0.36 1.05 0.20 0.70 0.00 0.00 175.22 177.60 3pcj s GLY 357 N -0.45 1.66 0.40 4.36 0.00 -1.26 -4.97 107.32 107.06 3pcj s GLY 357 Ca 0.38 -0.03 0.09 0.00 0.00 0.00 0.00 44.72 45.15 3pcj s GLY 357 CO 0.24 0.26 2.00 0.00 0.00 0.00 0.00 173.10 175.61 3pcj h ALA 358 N -0.52 1.79 -0.28 3.20 0.00 -2.03 -2.83 119.26 118.60 3pcj h ALA 358 Ca -0.44 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 3pcj h ALA 358 Cb 1.20 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3pcj h ALA 358 CO 0.60 0.12 -0.32 0.72 0.00 0.00 0.00 179.25 180.37 3pcj n HIS 359 N -4.47 0.92 0.23 0.00 8.25 -1.26 -4.72 115.22 114.17 3pcj n HIS 359 Ca 0.07 -1.69 0.07 0.00 -0.26 0.00 0.00 57.72 55.91 3pcj n HIS 359 Cb 0.20 -0.41 0.55 0.00 1.12 0.00 0.00 29.99 31.46 3pcj n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pcj h ASP 360 N 1.18 0.00 -0.09 0.41 5.19 -1.80 -2.62 116.42 118.69 3pcj h ASP 360 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3pcj h ASP 360 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3pcj h ASP 360 CO 0.31 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.60 3pcj n HIS 361 N -4.17 0.09 -3.73 4.55 1.44 -1.24 -1.90 115.22 110.26 3pcj n HIS 361 Ca -0.02 -0.06 -0.36 0.00 -2.01 0.00 0.00 57.72 55.27 3pcj n HIS 361 Cb 0.24 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.25 3pcj n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pcj s ASP 362 N -1.46 5.22 0.28 4.39 -1.08 -0.99 -1.69 116.67 121.36 3pcj s ASP 362 Ca 0.23 -2.82 0.22 0.00 -0.52 0.00 0.00 52.55 49.67 3pcj s ASP 362 Cb 0.16 -1.85 1.06 0.00 -1.46 0.00 0.00 42.92 40.83 3pcj s ASP 362 CO 0.23 -0.37 1.67 0.18 0.52 0.00 0.00 175.17 177.40 3pcj n LEU 363 N 3.53 0.60 0.13 -1.34 4.32 0.87 -0.43 117.00 124.68 3pcj n LEU 363 Ca 0.07 0.71 -0.01 0.00 -0.02 0.00 0.00 56.01 56.76 3pcj n LEU 363 Cb 0.38 -0.70 0.12 0.00 -1.62 0.00 0.00 43.42 41.59 3pcj n LEU 363 CO 0.34 -0.75 0.44 -0.07 -1.22 0.00 0.00 177.39 176.12 3pcj h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.92 -3.38 115.31 116.31 3pcj h LEU 364 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3pcj h LEU 364 Cb 0.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 3pcj h LEU 364 CO 0.00 0.67 -1.17 0.18 -1.08 0.00 0.00 178.44 177.04 3pcj n LEU 365 N -3.62 0.00 0.00 1.67 4.77 -0.53 -4.58 117.00 114.72 3pcj n LEU 365 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3pcj n LEU 365 Cb 0.68 0.01 0.36 0.00 -2.33 0.00 0.00 43.42 42.14 3pcj n LEU 365 CO 0.42 0.01 0.72 -0.46 -1.33 0.00 0.00 177.39 176.75 3pcj n ASN 366 N -1.67 0.00 -0.01 -1.43 0.23 0.43 -5.05 115.26 107.76 3pcj n ASN 366 Ca -0.01 0.20 -0.02 0.00 -0.53 0.00 0.00 54.58 54.23 3pcj n ASN 366 Cb 0.14 -0.35 -0.01 0.00 -2.08 0.00 0.00 39.78 37.48 3pcj n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pcj n PHE 367 N -1.35 0.00 -0.03 -2.53 7.35 -1.26 -4.97 117.46 114.66 3pcj n PHE 367 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3pcj n PHE 367 Cb 0.14 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 39.87 3pcj n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pcj n GLY 371 N 2.53 0.00 3.71 7.13 0.00 -1.26 -4.56 105.19 112.74 3pcj n GLY 371 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3pcj n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pcj s LEU 372 N -0.37 3.60 0.58 0.99 2.96 -1.26 -4.88 118.68 120.30 3pcj s LEU 372 Ca 0.00 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 3pcj s LEU 372 Cb 0.00 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3pcj s LEU 372 CO 0.00 0.26 1.07 -2.16 -1.32 0.00 0.00 176.35 174.20 3pcj s PRO 373 N -1.73 3.31 -0.06 0.98 0.04 -1.26 -4.77 135.00 131.51 3pcj s PRO 373 Ca 0.21 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 3pcj s PRO 373 Cb -0.12 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3pcj s PRO 373 CO 0.13 -0.83 0.44 0.42 0.04 0.00 0.00 177.00 177.19 3pcj s ILE 374 N -2.31 5.10 0.00 0.56 1.01 -1.26 -4.99 121.20 119.31 3pcj s ILE 374 Ca 0.65 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3pcj s ILE 374 Cb -0.17 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3pcj s ILE 374 CO 0.34 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.35 3pcj n GLY 375 N 2.54 1.67 3.61 6.18 0.00 -1.26 -4.43 105.19 113.51 3pcj n GLY 375 Ca -0.11 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3pcj n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcj s GLU 376 N -1.53 3.64 0.02 1.61 2.02 -1.26 -4.91 118.70 118.28 3pcj s GLU 376 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 54.97 55.84 3pcj s GLU 376 Cb 0.00 -4.02 -0.06 0.00 0.10 0.00 0.00 34.13 30.15 3pcj s GLU 376 CO 0.00 -1.48 1.39 1.03 0.02 0.00 0.00 175.26 176.22 3pcj s ARG 377 N 4.85 4.29 0.09 1.61 0.52 -1.26 -1.30 118.95 127.74 3pcj s ARG 377 Ca 0.64 1.97 -0.05 0.00 -0.52 0.00 0.00 55.73 57.78 3pcj s ARG 377 Cb -0.17 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 3pcj s ARG 377 CO 0.30 -0.55 0.10 0.96 0.02 0.00 0.00 175.30 176.14 3pcj s ILE 378 N 2.18 0.16 -0.12 1.52 -4.36 0.09 -2.17 121.20 118.50 3pcj s ILE 378 Ca 0.64 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 3pcj s ILE 378 Cb -0.32 -1.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.83 3pcj s ILE 378 CO 0.27 -0.72 -0.18 -0.63 0.24 0.00 0.00 174.94 173.92 3pcj s ILE 379 N -3.92 2.55 -0.22 8.37 1.01 -0.55 -0.73 121.20 127.71 3pcj s ILE 379 Ca 0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3pcj s ILE 379 Cb 0.06 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3pcj s ILE 379 CO -0.08 0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 174.63 3pcj s VAL 380 N 0.43 2.98 0.09 2.92 1.01 -0.04 -0.69 120.40 127.11 3pcj s VAL 380 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3pcj s VAL 380 Cb -0.17 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3pcj s VAL 380 CO 0.06 0.40 -0.02 0.00 0.00 0.00 0.00 175.10 175.53 3pcj s ALA 381 N 1.41 0.83 0.00 5.51 0.00 -0.88 -0.33 121.76 128.30 3pcj s ALA 381 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3pcj s ALA 381 Cb -0.14 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3pcj s ALA 381 CO -0.06 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3pcj n GLY 382 N -0.02 -1.49 3.27 0.00 0.00 -0.81 -1.00 105.19 105.14 3pcj n GLY 382 Ca -0.11 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 3pcj n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 383 N -1.31 1.18 -0.29 1.61 3.52 -1.25 -1.57 118.95 120.83 3pcj s ARG 383 Ca 0.00 -1.09 -0.07 0.00 -0.13 0.00 0.00 55.73 54.44 3pcj s ARG 383 Cb 0.00 -1.40 0.01 0.00 -1.56 0.00 0.00 34.95 32.00 3pcj s ARG 383 CO 0.00 0.33 0.08 0.08 -0.81 0.00 0.00 175.30 174.98 3pcj s VAL 384 N -1.06 3.99 0.35 7.11 1.01 0.10 -1.16 120.40 130.73 3pcj s VAL 384 Ca 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3pcj s VAL 384 Cb -0.10 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 3pcj s VAL 384 CO 0.03 0.10 0.05 0.68 0.00 0.00 0.00 175.10 175.96 3pcj s VAL 385 N 1.51 1.39 0.51 2.92 -7.23 -0.62 -0.45 120.40 118.42 3pcj s VAL 385 Ca 0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 3pcj s VAL 385 Cb -0.17 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.96 3pcj s VAL 385 CO 0.02 0.00 0.48 1.51 -0.31 0.00 0.00 175.10 176.81 3pcj s ASP 386 N -3.54 4.88 0.58 4.85 1.47 0.15 -1.13 116.67 123.93 3pcj s ASP 386 Ca 0.36 -0.99 0.28 0.00 1.18 0.00 0.00 52.55 53.39 3pcj s ASP 386 Cb 0.09 0.05 1.54 0.00 -0.34 0.00 0.00 42.92 44.26 3pcj s ASP 386 CO 0.16 -1.00 1.99 1.56 0.68 0.00 0.00 175.17 178.56 3pcj h GLN 387 N 0.72 0.00 -0.00 2.11 4.20 -1.27 0.22 115.11 121.08 3pcj h GLN 387 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3pcj h GLN 387 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3pcj h GLN 387 CO 0.54 0.00 -0.09 0.66 -0.67 0.00 0.00 178.83 179.27 3pcj n TYR 388 N -3.84 0.00 -0.49 2.96 4.01 -1.26 -4.91 117.16 113.64 3pcj n TYR 388 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3pcj n TYR 388 Cb 0.52 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3pcj n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pcj n GLY 389 N 1.23 0.75 3.69 2.72 0.00 0.76 -5.05 105.19 109.29 3pcj n GLY 389 Ca 0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3pcj n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcj s LYS 390 N -0.55 4.36 0.63 1.61 2.20 -1.25 -4.72 119.74 122.03 3pcj s LYS 390 Ca 0.00 0.91 -0.18 0.00 -0.36 0.00 0.00 55.97 56.34 3pcj s LYS 390 Cb 0.00 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3pcj s LYS 390 CO 0.00 -0.12 1.18 -2.30 -0.36 0.00 0.00 175.35 173.75 3pcj n PRO 391 N 4.45 1.04 -3.90 4.03 -0.02 -1.26 -0.67 135.00 138.67 3pcj n PRO 391 Ca 0.01 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 3pcj n PRO 391 Cb 0.50 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 3pcj n PRO 391 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3pcj s VAL 392 N -1.43 2.82 0.50 -1.45 1.01 0.40 -4.83 120.40 117.43 3pcj s VAL 392 Ca 0.80 -2.76 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 3pcj s VAL 392 Cb -0.39 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 3pcj s VAL 392 CO 0.43 -0.74 0.91 -2.16 0.00 0.00 0.00 175.10 173.54 3pcj s PRO 393 N 0.33 3.80 -1.49 2.72 0.04 -1.26 -4.26 135.00 134.88 3pcj s PRO 393 Ca 0.14 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 3pcj s PRO 393 Cb -0.22 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.12 3pcj s PRO 393 CO -0.04 -0.25 0.38 0.09 0.04 0.00 0.00 177.00 177.22 3pcj n ASN 394 N -1.78 -0.47 -4.68 6.66 4.13 -0.88 -4.94 115.26 113.29 3pcj n ASN 394 Ca 0.05 -1.07 -0.30 0.00 1.68 0.00 0.00 54.58 54.93 3pcj n ASN 394 Cb 0.54 -2.68 -0.08 0.00 -1.54 0.00 0.00 39.78 36.02 3pcj n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pcj s THR 395 N -3.95 4.01 -0.23 3.41 -1.32 -1.26 -4.55 115.64 111.76 3pcj s THR 395 Ca 0.12 -0.95 -0.22 0.00 -1.21 0.00 0.00 61.69 59.42 3pcj s THR 395 Cb -0.06 -2.90 -0.02 0.00 -1.51 0.00 0.00 72.50 68.01 3pcj s THR 395 CO 0.92 0.15 0.71 -0.22 -2.21 0.00 0.00 174.62 173.97 3pcj s LEU 396 N -2.22 4.10 -0.21 9.08 2.96 -1.26 -0.38 118.68 130.75 3pcj s LEU 396 Ca 0.25 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3pcj s LEU 396 Cb -0.12 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.57 3pcj s LEU 396 CO 0.17 -0.39 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.02 3pcj s VAL 397 N 2.42 2.91 0.07 1.68 1.01 -0.08 -1.65 120.40 126.76 3pcj s VAL 397 Ca 0.31 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3pcj s VAL 397 Cb -0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3pcj s VAL 397 CO 0.09 0.44 -0.25 -1.61 0.00 0.00 0.00 175.10 173.76 3pcj s GLU 398 N 1.41 1.57 0.05 2.72 2.02 0.24 0.11 118.70 126.82 3pcj s GLU 398 Ca 0.05 -1.16 -0.04 0.00 0.02 0.00 0.00 54.97 53.84 3pcj s GLU 398 Cb -0.14 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3pcj s GLU 398 CO -0.06 0.46 0.05 0.00 0.02 0.00 0.00 175.26 175.73 3pcj s MET 399 N -1.52 0.60 -0.12 1.61 0.23 0.80 -0.31 119.30 120.60 3pcj s MET 399 Ca 0.11 -0.91 -0.21 0.00 -1.03 0.00 0.00 55.69 53.65 3pcj s MET 399 Cb -0.10 0.22 0.05 0.00 -1.53 0.00 0.00 34.83 33.48 3pcj s MET 399 CO 0.03 -0.14 0.53 1.67 -2.03 0.00 0.00 175.02 175.08 3pcj s TRP 400 N -3.04 -0.52 0.34 3.16 -2.14 -0.84 -1.25 118.94 114.65 3pcj s TRP 400 Ca -0.01 1.09 -0.17 0.00 2.66 0.00 0.00 56.10 59.67 3pcj s TRP 400 Cb 0.01 0.24 0.04 0.00 -3.10 0.00 0.00 33.47 30.66 3pcj s TRP 400 CO -0.07 -0.41 0.73 1.14 -2.66 0.00 0.00 176.95 175.69 3pcj s GLN 401 N -0.51 2.02 0.90 3.25 -2.07 -0.59 -0.74 119.66 121.91 3pcj s GLN 401 Ca -0.06 -1.28 -0.11 0.00 -1.82 0.00 0.00 55.36 52.09 3pcj s GLN 401 Cb -0.03 0.60 0.19 0.00 -1.09 0.00 0.00 33.01 32.68 3pcj s GLN 401 CO 0.04 -0.93 1.23 0.00 -1.32 0.00 0.00 175.29 174.31 3pcj s ALA 402 N -3.04 2.72 0.72 2.60 0.00 -1.26 -4.60 121.76 118.90 3pcj s ALA 402 Ca 0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 3pcj s ALA 402 Cb -0.05 -2.48 0.09 0.00 0.00 0.00 0.00 23.12 20.68 3pcj s ALA 402 CO 0.10 -2.18 0.60 0.27 0.00 0.00 0.00 175.76 174.55 3pcj n ASN 403 N -3.49 0.50 0.21 0.00 0.23 -0.16 -4.51 115.26 108.03 3pcj n ASN 403 Ca 0.16 -1.49 0.17 0.00 -0.53 0.00 0.00 54.58 52.88 3pcj n ASN 403 Cb 0.60 -0.42 0.82 0.00 -2.08 0.00 0.00 39.78 38.70 3pcj n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcj h ALA 404 N -1.01 1.81 -0.02 -2.53 0.00 -1.77 -1.00 119.26 114.74 3pcj h ALA 404 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3pcj h ALA 404 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3pcj h ALA 404 CO 0.18 -0.27 -0.27 0.41 0.00 0.00 0.00 179.25 179.31 3pcj n GLY 405 N -1.41 0.28 1.06 0.00 0.00 -1.26 -3.06 105.19 100.80 3pcj n GLY 405 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3pcj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 406 N 1.37 0.68 3.75 -0.02 0.00 -0.45 -4.78 105.19 105.74 3pcj n GLY 406 Ca 0.12 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3pcj n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 407 N -1.00 4.14 0.12 1.61 6.06 -1.26 -4.76 118.95 123.86 3pcj s ARG 407 Ca 0.00 -0.03 -0.04 0.00 -2.50 0.00 0.00 55.73 53.16 3pcj s ARG 407 Cb 0.00 -3.39 -0.05 0.00 0.06 0.00 0.00 34.95 31.57 3pcj s ARG 407 CO 0.00 0.33 0.34 0.71 -2.50 0.00 0.00 175.30 174.18 3pcj s TYR 408 N 0.22 3.49 -1.20 5.12 2.02 -1.26 -0.99 117.35 124.75 3pcj s TYR 408 Ca 0.14 0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 57.24 3pcj s TYR 408 Cb -0.12 -1.96 0.22 0.00 -0.40 0.00 0.00 41.96 39.70 3pcj s TYR 408 CO 0.02 0.47 1.59 -2.13 -1.57 0.00 0.00 175.55 173.93 3pcj n ARG 409 N 0.16 3.77 -3.73 -0.62 0.63 -1.26 -4.76 116.66 110.84 3pcj n ARG 409 Ca -0.03 -3.96 -0.12 0.00 -0.92 0.00 0.00 57.85 52.81 3pcj n ARG 409 Cb 0.52 -2.80 -0.12 0.00 0.45 0.00 0.00 32.46 30.50 3pcj n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pcj s HIS 410 N -0.34 -0.40 0.15 -0.14 2.46 -1.26 -5.06 115.29 110.69 3pcj s HIS 410 Ca 0.37 0.93 -0.17 0.00 0.47 0.00 0.00 55.06 56.66 3pcj s HIS 410 Cb 0.03 0.12 0.09 0.00 -0.13 0.00 0.00 32.58 32.69 3pcj s HIS 410 CO 0.02 -0.24 1.14 1.63 -2.47 0.00 0.00 174.74 174.81 3pcj n LYS 411 N 3.90 -0.23 0.00 2.88 5.02 -1.26 0.27 118.16 128.74 3pcj n LYS 411 Ca -0.22 1.12 0.05 0.00 -2.02 0.00 0.00 58.31 57.25 3pcj n LYS 411 Cb 0.55 -1.66 0.24 0.00 -0.02 0.00 0.00 35.03 34.14 3pcj n LYS 411 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3pcj n ASN 412 N -5.02 0.00 -4.58 4.39 5.03 -1.26 -4.67 115.26 109.15 3pcj n ASN 412 Ca 0.05 0.34 -0.42 0.00 0.87 0.00 0.00 54.58 55.42 3pcj n ASN 412 Cb 0.25 -0.41 -0.05 0.00 -1.02 0.00 0.00 39.78 38.55 3pcj n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pcj s ASP 413 N -2.82 6.51 0.00 6.41 2.15 0.14 -4.88 116.67 124.19 3pcj s ASP 413 Ca 0.07 0.27 0.19 0.00 0.43 0.00 0.00 52.55 53.51 3pcj s ASP 413 Cb 0.07 -2.38 0.23 0.00 -0.30 0.00 0.00 42.92 40.54 3pcj s ASP 413 CO 0.17 -0.72 1.17 0.54 -0.17 0.00 0.00 175.17 176.17 3pcj n ARG 414 N 6.37 1.89 -1.65 4.34 5.12 -1.26 -4.91 116.66 126.55 3pcj n ARG 414 Ca 0.02 -1.81 -0.45 0.00 -1.93 0.00 0.00 57.85 53.68 3pcj n ARG 414 Cb 0.48 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 3pcj n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pcj n TYR 415 N 1.11 2.00 0.25 -1.55 9.36 -1.26 -4.84 117.16 122.22 3pcj n TYR 415 Ca 0.13 0.49 0.06 0.00 3.32 0.00 0.00 57.90 61.90 3pcj n TYR 415 Cb 0.49 -2.42 0.26 0.00 -0.63 0.00 0.00 39.34 37.05 3pcj n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3pcj n LEU 416 N 1.97 0.18 -4.78 2.98 -0.00 -1.26 -4.72 117.00 111.38 3pcj n LEU 416 Ca 0.11 0.56 -0.37 0.00 -0.00 0.00 0.00 56.01 56.31 3pcj n LEU 416 Cb 0.31 -0.56 -0.04 0.00 -0.00 0.00 0.00 43.42 43.13 3pcj n LEU 416 CO 0.62 -0.50 0.76 0.00 -0.00 0.00 0.00 177.39 178.28 3pcj s ALA 417 N -3.13 3.15 0.60 1.47 0.00 -1.26 -4.99 121.76 117.59 3pcj s ALA 417 Ca 0.03 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 3pcj s ALA 417 Cb 0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3pcj s ALA 417 CO 0.17 -0.26 1.02 -1.25 0.00 0.00 0.00 175.76 175.45 3pcj s PRO 418 N -2.29 3.60 0.56 0.00 0.04 -1.26 -4.77 135.00 130.88 3pcj s PRO 418 Ca 0.56 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 3pcj s PRO 418 Cb -0.25 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 3pcj s PRO 418 CO 0.32 -0.57 1.03 -0.51 0.04 0.00 0.00 177.00 177.30 3pcj s LEU 419 N -4.89 3.53 -0.29 -3.56 1.43 -1.26 -4.74 118.68 108.90 3pcj s LEU 419 Ca 0.57 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 55.27 3pcj s LEU 419 Cb -0.11 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 3pcj s LEU 419 CO 0.47 -0.91 0.11 -0.62 0.23 0.00 0.00 176.35 175.63 3pcj s ASP 420 N -3.01 5.34 0.58 2.29 -1.08 -1.26 -4.99 116.67 114.53 3pcj s ASP 420 Ca 0.61 -0.45 0.29 0.00 -0.52 0.00 0.00 52.55 52.48 3pcj s ASP 420 Cb -0.13 -1.95 1.47 0.00 -1.46 0.00 0.00 42.92 40.84 3pcj s ASP 420 CO 0.36 -0.14 1.89 1.55 0.52 0.00 0.00 175.17 179.35 3pcj h PRO 421 N 8.29 0.00 -0.51 4.34 0.13 -1.96 -1.15 132.00 141.14 3pcj h PRO 421 Ca -0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 3pcj h PRO 421 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 3pcj h PRO 421 CO 0.60 0.00 0.11 0.09 -0.23 0.00 0.00 178.00 178.57 3pcj n ASN 422 N -3.82 4.26 -3.81 1.44 4.13 -1.26 -4.96 115.26 111.24 3pcj n ASN 422 Ca 0.10 -3.22 -0.18 0.00 1.68 0.00 0.00 54.58 52.96 3pcj n ASN 422 Cb 0.72 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 38.14 3pcj n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pcj s PHE 423 N -2.97 0.41 -0.23 3.10 5.36 -0.44 -4.10 117.98 119.12 3pcj s PHE 423 Ca 0.49 -0.04 -0.16 0.00 -0.96 0.00 0.00 56.93 56.27 3pcj s PHE 423 Cb 0.40 -0.50 -0.10 0.00 -0.34 0.00 0.00 43.02 42.48 3pcj s PHE 423 CO 0.10 -0.17 -0.30 0.41 -1.46 0.00 0.00 175.22 173.80 3pcj n GLY 424 N 4.33 -0.55 0.00 13.12 0.00 -1.26 -4.72 105.19 116.11 3pcj n GLY 424 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3pcj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 425 N 1.37 1.00 3.40 -0.02 0.00 -1.26 -4.49 105.19 105.19 3pcj n GLY 425 Ca -0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3pcj n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcj s VAL 426 N -2.00 2.59 0.02 1.61 1.01 -1.26 -1.54 120.40 120.83 3pcj s VAL 426 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3pcj s VAL 426 Cb 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3pcj s VAL 426 CO 0.00 0.58 0.22 -0.83 0.00 0.00 0.00 175.10 175.07 3pcj s GLY 427 N -0.69 -0.02 -0.06 4.51 0.00 -0.38 -4.77 107.32 105.91 3pcj s GLY 427 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 3pcj s GLY 427 CO -0.00 -0.28 0.18 1.09 0.00 0.00 0.00 173.10 174.09 3pcj s ARG 428 N -2.07 0.26 -0.09 2.90 1.70 -0.80 -0.14 118.95 120.72 3pcj s ARG 428 Ca -0.09 0.15 -0.10 0.00 -0.47 0.00 0.00 55.73 55.22 3pcj s ARG 428 Cb -0.03 0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.50 3pcj s ARG 428 CO -0.01 -0.04 0.28 0.00 -1.08 0.00 0.00 175.30 174.45 3pcj s LEU 430 N -0.08 4.27 0.78 0.00 2.96 -1.26 -0.91 118.68 124.45 3pcj s LEU 430 Ca -0.02 0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 3pcj s LEU 430 Cb -0.03 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.20 3pcj s LEU 430 CO 0.01 0.06 1.13 0.42 -1.32 0.00 0.00 176.35 176.65 3pcj s THR 431 N 0.48 2.80 0.00 3.68 -4.23 0.48 -4.84 115.64 114.02 3pcj s THR 431 Ca 0.21 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3pcj s THR 431 Cb -0.14 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3pcj s THR 431 CO 0.07 -0.30 0.00 -0.90 -0.54 0.00 0.00 174.62 172.95 3pcj n ASP 432 N -3.38 0.00 0.26 3.99 5.68 -0.30 -2.08 116.55 120.71 3pcj n ASP 432 Ca 0.11 -0.69 0.09 0.00 -0.50 0.00 0.00 54.79 53.80 3pcj n ASP 432 Cb 0.52 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.18 3pcj n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pcj h SER 433 N 0.00 0.00 -0.17 -1.12 0.02 -1.94 -0.60 113.55 109.74 3pcj h SER 433 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3pcj h SER 433 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3pcj h SER 433 CO 0.00 0.04 0.00 0.47 -1.14 0.00 0.00 176.83 176.20 3pcj n ASP 434 N -4.30 2.53 0.00 3.07 8.00 -1.26 -4.59 116.55 120.00 3pcj n ASP 434 Ca -0.03 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.64 3pcj n ASP 434 Cb 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3pcj n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcj n GLY 435 N 1.31 0.58 3.82 0.44 0.00 -0.23 -4.67 105.19 106.43 3pcj n GLY 435 Ca 0.17 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3pcj n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pcj s TYR 436 N -2.00 3.74 0.08 1.61 2.02 -1.26 0.00 117.35 121.55 3pcj s TYR 436 Ca 0.00 1.27 -0.00 0.00 -0.37 0.00 0.00 57.07 57.97 3pcj s TYR 436 Cb 0.00 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3pcj s TYR 436 CO 0.00 0.51 -0.02 1.52 -1.57 0.00 0.00 175.55 175.99 3pcj s TYR 437 N -1.26 0.70 -0.09 2.71 1.13 -0.61 -1.15 117.35 118.78 3pcj s TYR 437 Ca 0.34 -1.08 -0.30 0.00 -1.41 0.00 0.00 57.07 54.62 3pcj s TYR 437 Cb -0.18 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.31 3pcj s TYR 437 CO 0.20 -0.36 0.75 -1.54 -2.51 0.00 0.00 175.55 172.09 3pcj s SER 438 N -2.98 -0.61 0.05 -0.18 1.04 -1.26 -1.92 113.70 107.84 3pcj s SER 438 Ca 0.13 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 3pcj s SER 438 Cb 0.07 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3pcj s SER 438 CO -0.06 -0.52 -0.00 -0.36 0.98 0.00 0.00 173.24 173.28 3pcj s PHE 439 N -1.01 0.44 -0.05 5.02 0.08 0.55 -4.92 117.98 118.09 3pcj s PHE 439 Ca -0.08 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.05 3pcj s PHE 439 Cb -0.01 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 3pcj s PHE 439 CO 0.07 -0.38 -0.10 0.50 -0.10 0.00 0.00 175.22 175.21 3pcj s ARG 440 N -3.60 1.42 0.00 0.44 3.52 -0.68 -0.86 118.95 119.18 3pcj s ARG 440 Ca 0.04 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3pcj s ARG 440 Cb 0.05 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 3pcj s ARG 440 CO -0.09 0.03 0.00 -2.37 -0.81 0.00 0.00 175.30 172.06 3pcj n THR 441 N 3.76 0.00 -4.42 4.11 5.66 0.09 -0.09 114.28 123.38 3pcj n THR 441 Ca -0.23 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.48 3pcj n THR 441 Cb 0.52 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 3pcj n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pcj s ILE 442 N -2.98 2.55 0.00 1.09 -4.36 -1.26 -0.73 121.20 115.51 3pcj s ILE 442 Ca 0.00 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 3pcj s ILE 442 Cb 0.00 -2.13 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 3pcj s ILE 442 CO 0.00 0.14 1.41 -0.75 0.24 0.00 0.00 174.94 175.98 3pcj s LYS 443 N -1.96 4.28 0.71 0.37 2.20 -0.42 -4.92 119.74 120.00 3pcj s LYS 443 Ca 0.16 1.98 -0.12 0.00 -0.36 0.00 0.00 55.97 57.63 3pcj s LYS 443 Cb -0.10 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 3pcj s LYS 443 CO 0.07 -0.58 1.08 -1.25 -0.36 0.00 0.00 175.35 174.31 3pcj s PRO 444 N 2.42 2.65 0.30 4.03 0.04 -1.26 -4.27 135.00 138.90 3pcj s PRO 444 Ca 0.64 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.87 3pcj s PRO 444 Cb -0.32 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3pcj s PRO 444 CO 0.27 -1.34 0.44 0.20 0.04 0.00 0.00 177.00 176.61 3pcj s GLY 445 N -3.31 1.34 0.86 0.56 0.00 -0.77 -4.68 107.32 101.32 3pcj s GLY 445 Ca 0.61 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 3pcj s GLY 445 CO 0.51 -1.17 0.83 -1.05 0.00 0.00 0.00 173.10 172.22 3pcj n PRO 446 N -1.58 -0.07 -3.72 2.90 -0.02 -1.26 -4.10 135.00 127.15 3pcj n PRO 446 Ca -0.06 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.30 3pcj n PRO 446 Cb 0.57 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3pcj n PRO 446 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3pcj s TYR 447 N -2.27 -0.03 0.30 6.00 6.14 -0.95 -4.26 117.35 122.28 3pcj s TYR 447 Ca 0.66 0.31 -0.27 0.00 0.64 0.00 0.00 57.07 58.40 3pcj s TYR 447 Cb -0.26 -0.29 -0.10 0.00 0.42 0.00 0.00 41.96 41.73 3pcj s TYR 447 CO 0.59 -0.16 0.95 -1.25 0.64 0.00 0.00 175.55 176.31 3pcj s PRO 448 N 1.61 4.64 0.04 4.97 0.04 -1.26 0.50 135.00 145.54 3pcj s PRO 448 Ca -0.03 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 62.33 3pcj s PRO 448 Cb -0.12 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 3pcj s PRO 448 CO -0.04 0.33 0.12 1.67 0.04 0.00 0.00 177.00 179.12 3pcj s TRP 449 N -1.50 0.15 -1.28 0.56 1.48 -0.90 -4.91 118.94 112.54 3pcj s TRP 449 Ca 0.48 -0.42 -0.19 0.00 -1.06 0.00 0.00 56.10 54.91 3pcj s TRP 449 Cb -0.21 -0.11 0.04 0.00 -1.16 0.00 0.00 33.47 32.03 3pcj s TRP 449 CO 0.26 -0.37 1.79 0.54 -4.06 0.00 0.00 176.95 175.11 3pcj n ARG 450 N 0.81 2.85 0.00 3.25 1.74 -1.26 -4.34 116.66 119.72 3pcj n ARG 450 Ca -0.19 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.79 3pcj n ARG 450 Cb 0.58 -3.54 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 3pcj n ARG 450 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3pcj n ASN 451 N 9.60 0.00 -4.33 0.55 5.15 -1.26 -5.05 115.26 119.92 3pcj n ASN 451 Ca 0.48 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.19 3pcj n ASN 451 Cb 0.46 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.87 3pcj n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pcj s GLY 452 N -0.55 1.77 0.50 8.20 0.00 -1.26 -4.97 107.32 111.02 3pcj s GLY 452 Ca 0.00 -1.41 0.26 0.00 0.00 0.00 0.00 44.72 43.56 3pcj s GLY 452 CO 0.00 -0.71 2.02 -2.55 0.00 0.00 0.00 173.10 171.86 3pcj h PRO 453 N -1.24 0.00 -2.00 2.90 0.11 -1.97 -3.33 132.00 126.47 3pcj h PRO 453 Ca -0.41 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.17 3pcj h PRO 453 Cb 1.25 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.96 3pcj h PRO 453 CO 0.38 0.15 -1.14 -1.71 -0.21 0.00 0.00 178.00 175.47 3pcj n ASN 454 N -3.67 0.47 -4.64 -2.05 5.15 -1.26 -5.08 115.26 104.18 3pcj n ASN 454 Ca -0.02 -2.82 -0.35 0.00 -0.60 0.00 0.00 54.58 50.79 3pcj n ASN 454 Cb 0.27 -0.63 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 3pcj n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pcj s ASP 455 N -1.69 5.40 -0.05 1.20 1.01 -1.25 -5.08 116.67 116.21 3pcj s ASP 455 Ca 0.37 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.72 3pcj s ASP 455 Cb 0.24 -1.79 0.02 0.00 1.01 0.00 0.00 42.92 42.41 3pcj s ASP 455 CO -0.10 0.25 -0.03 0.26 0.21 0.00 0.00 175.17 175.77 3pcj s TRP 456 N -0.11 0.69 0.27 4.23 0.52 -1.26 -2.12 118.94 121.15 3pcj s TRP 456 Ca 0.05 -0.18 -0.29 0.00 0.02 0.00 0.00 56.10 55.70 3pcj s TRP 456 Cb -0.12 -0.68 -0.09 0.00 -1.15 0.00 0.00 33.47 31.42 3pcj s TRP 456 CO 0.02 -0.22 1.11 1.03 0.02 0.00 0.00 176.95 178.90 3pcj s ARG 457 N 1.22 4.63 0.85 4.98 1.81 0.18 -4.75 118.95 127.86 3pcj s ARG 457 Ca -0.06 1.81 -0.11 0.00 -1.72 0.00 0.00 55.73 55.65 3pcj s ARG 457 Cb -0.14 -3.19 0.10 0.00 -0.45 0.00 0.00 34.95 31.27 3pcj s ARG 457 CO -0.02 0.18 1.13 -2.14 -0.68 0.00 0.00 175.30 173.78 3pcj s PRO 458 N -1.34 1.57 0.36 3.54 0.02 -1.26 -2.25 135.00 135.64 3pcj s PRO 458 Ca 0.45 1.42 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 3pcj s PRO 458 Cb -0.32 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.29 3pcj s PRO 458 CO 0.41 -2.20 1.44 0.00 -0.33 0.00 0.00 177.00 176.32 3pcj s ALA 459 N -2.70 3.56 0.07 -1.55 0.00 -1.26 -4.70 121.76 115.18 3pcj s ALA 459 Ca 0.65 1.49 -0.26 0.00 0.00 0.00 0.00 51.96 53.84 3pcj s ALA 459 Cb -0.21 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.42 3pcj s ALA 459 CO 0.56 -0.94 0.72 -3.38 0.00 0.00 0.00 175.76 172.72 3pcj s HIS 460 N -1.08 -0.47 -0.12 0.00 -3.43 -1.26 -4.12 115.29 104.80 3pcj s HIS 460 Ca 0.52 0.36 0.02 0.00 -0.80 0.00 0.00 55.06 55.16 3pcj s HIS 460 Cb -0.45 0.54 0.01 0.00 -1.43 0.00 0.00 32.58 31.25 3pcj s HIS 460 CO 0.60 -0.71 -0.18 0.42 -2.00 0.00 0.00 174.74 172.87 3pcj s ILE 461 N -3.24 1.75 0.15 -5.38 1.01 -0.94 -4.60 121.20 109.95 3pcj s ILE 461 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3pcj s ILE 461 Cb -0.01 -1.57 -0.07 0.00 0.01 0.00 0.00 42.46 40.82 3pcj s ILE 461 CO -0.09 0.49 1.02 -1.00 0.00 0.00 0.00 174.94 175.36 3pcj s HIS 462 N 0.92 3.73 0.02 3.97 3.76 0.08 -0.69 115.29 127.07 3pcj s HIS 462 Ca -0.06 1.72 0.06 0.00 -0.15 0.00 0.00 55.06 56.63 3pcj s HIS 462 Cb -0.15 -3.15 -0.02 0.00 1.11 0.00 0.00 32.58 30.37 3pcj s HIS 462 CO -0.02 -0.14 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.48 3pcj s PHE 463 N -0.18 1.69 -0.05 1.40 0.40 0.25 -1.98 117.98 119.51 3pcj s PHE 463 Ca 0.48 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 3pcj s PHE 463 Cb -0.26 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.25 3pcj s PHE 463 CO 0.32 0.03 -0.05 0.20 0.70 0.00 0.00 175.22 176.42 3pcj s GLY 464 N -0.84 0.50 -0.07 4.36 0.00 0.58 0.20 107.32 112.06 3pcj s GLY 464 Ca 0.07 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.70 3pcj s GLY 464 CO 0.01 0.44 -0.15 -0.42 0.00 0.00 0.00 173.10 172.98 3pcj s ILE 465 N 0.96 1.31 -0.08 0.90 1.09 0.71 -0.59 121.20 125.50 3pcj s ILE 465 Ca -0.10 -0.59 -0.12 0.00 -1.10 0.00 0.00 60.65 58.74 3pcj s ILE 465 Cb -0.14 -1.18 -0.09 0.00 -1.06 0.00 0.00 42.46 39.99 3pcj s ILE 465 CO 0.00 0.39 0.44 0.77 -0.10 0.00 0.00 174.94 176.44 3pcj h SER 466 N 6.85 -0.14 -3.59 3.58 4.64 -1.60 0.89 113.55 124.18 3pcj h SER 466 Ca -0.29 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3pcj h SER 466 Cb 1.20 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3pcj h SER 466 CO 0.47 0.42 -0.03 0.61 -0.87 0.00 0.00 176.83 177.44 3pcj n GLY 467 N 1.19 -1.99 0.20 -0.77 0.00 -1.26 -2.59 105.19 99.96 3pcj n GLY 467 Ca -0.05 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.72 3pcj n GLY 467 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcj h PRO 468 N 0.00 0.00 -4.06 1.61 0.13 -1.94 -3.47 132.00 124.28 3pcj h PRO 468 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 3pcj h PRO 468 Cb 0.07 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.10 3pcj h PRO 468 CO 0.00 0.00 -0.23 -1.54 -0.23 0.00 0.00 178.00 176.00 3pcj s SER 469 N -5.56 0.54 0.38 1.44 1.04 -1.26 -3.46 113.70 106.82 3pcj s SER 469 Ca 0.06 -1.32 0.28 0.00 0.48 0.00 0.00 55.95 55.45 3pcj s SER 469 Cb 0.08 0.61 1.23 0.00 0.10 0.00 0.00 66.02 68.04 3pcj s SER 469 CO 0.60 -1.19 1.83 0.16 0.98 0.00 0.00 173.24 175.61 3pcj h ILE 470 N 2.22 0.00 -0.06 -1.02 3.07 -1.10 -1.83 117.51 118.78 3pcj h ILE 470 Ca -0.29 -0.25 -0.13 0.00 1.55 0.00 0.00 64.86 65.75 3pcj h ILE 470 Cb 1.24 1.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 3pcj h ILE 470 CO 0.40 0.00 -0.53 0.00 -1.05 0.00 0.00 178.15 176.96 3pcj h ALA 471 N 2.13 0.99 0.00 0.16 0.00 -1.77 -3.25 119.26 117.53 3pcj h ALA 471 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3pcj h ALA 471 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3pcj h ALA 471 CO 0.00 0.68 -1.20 0.25 0.00 0.00 0.00 179.25 178.98 3pcj n THR 472 N -3.92 0.49 -1.57 0.00 -2.24 -0.70 -4.92 114.28 101.42 3pcj n THR 472 Ca -0.02 -0.53 -0.55 0.00 -2.27 0.00 0.00 64.05 60.68 3pcj n THR 472 Cb 0.56 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 3pcj n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pcj n LYS 473 N -2.58 0.69 -3.89 -0.78 3.00 -1.07 -4.72 118.16 108.80 3pcj n LYS 473 Ca -0.01 0.25 -0.11 0.00 -0.00 0.00 0.00 58.31 58.44 3pcj n LYS 473 Cb 0.55 -1.84 -0.12 0.00 0.00 0.00 0.00 35.03 33.63 3pcj n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pcj s LEU 474 N 0.51 1.85 -0.12 3.14 2.96 0.30 -5.01 118.68 122.32 3pcj s LEU 474 Ca 0.88 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 3pcj s LEU 474 Cb -1.09 0.29 0.01 0.00 0.50 0.00 0.00 46.19 45.90 3pcj s LEU 474 CO 0.52 -0.19 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.52 3pcj s ILE 475 N -0.76 1.95 0.14 6.68 1.01 -1.26 -0.21 121.20 128.75 3pcj s ILE 475 Ca -0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3pcj s ILE 475 Cb -0.05 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3pcj s ILE 475 CO 0.00 0.53 0.18 1.07 0.00 0.00 0.00 174.94 176.72 3pcj n THR 476 N 3.85 0.00 -4.01 2.92 5.66 0.13 -5.01 114.28 117.82 3pcj n THR 476 Ca -0.20 -0.76 -0.14 0.00 -3.05 0.00 0.00 64.05 59.90 3pcj n THR 476 Cb 0.52 0.45 -0.14 0.00 -1.55 0.00 0.00 70.33 69.60 3pcj n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pcj s GLN 477 N -2.36 0.24 -0.09 1.09 -0.21 -1.26 -0.58 119.66 116.49 3pcj s GLN 477 Ca 0.12 -0.08 -0.10 0.00 0.02 0.00 0.00 55.36 55.32 3pcj s GLN 477 Cb -0.00 -0.25 -0.05 0.00 1.00 0.00 0.00 33.01 33.71 3pcj s GLN 477 CO 0.09 0.04 0.24 -1.17 -2.12 0.00 0.00 175.29 172.36 3pcj s LEU 478 N 0.07 4.40 0.26 2.90 0.20 0.13 -4.84 118.68 121.80 3pcj s LEU 478 Ca -0.00 0.62 0.11 0.00 0.69 0.00 0.00 54.13 55.55 3pcj s LEU 478 Cb -0.03 -2.26 -0.05 0.00 -0.43 0.00 0.00 46.19 43.43 3pcj s LEU 478 CO -0.00 0.35 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.94 3pcj s TYR 479 N -0.89 2.38 -0.15 5.38 2.02 0.01 -2.21 117.35 123.89 3pcj s TYR 479 Ca 0.18 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 3pcj s TYR 479 Cb -0.14 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 3pcj s TYR 479 CO 0.07 0.66 0.23 -0.06 -1.57 0.00 0.00 175.55 174.88 3pcj s PHE 480 N -2.32 3.49 -0.08 2.71 0.40 -1.26 0.12 117.98 121.04 3pcj s PHE 480 Ca 0.29 0.54 -0.40 0.00 -0.60 0.00 0.00 56.93 56.76 3pcj s PHE 480 Cb -0.06 -2.21 -0.18 0.00 0.51 0.00 0.00 43.02 41.08 3pcj s PHE 480 CO 0.15 0.37 1.36 -1.91 0.70 0.00 0.00 175.22 175.90 3pcj n GLU 481 N 3.13 0.63 0.00 0.44 2.13 -0.61 -2.23 120.64 124.14 3pcj n GLU 481 Ca -0.15 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3pcj n GLU 481 Cb 0.52 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.42 3pcj n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcj n GLY 482 N 2.68 2.73 3.59 8.31 0.00 -1.26 -4.99 105.19 116.25 3pcj n GLY 482 Ca 0.22 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.73 3pcj n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pcj n ASP 483 N 0.00 2.67 0.13 1.61 -0.08 -0.95 -4.86 116.55 115.08 3pcj n ASP 483 Ca 0.00 0.74 0.12 0.00 -1.51 0.00 0.00 54.79 54.14 3pcj n ASP 483 Cb 0.00 -1.28 0.50 0.00 2.34 0.00 0.00 41.12 42.68 3pcj n ASP 483 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3pcj n PRO 484 N 7.06 0.19 0.19 -0.67 -0.04 -1.26 -2.51 135.00 137.96 3pcj n PRO 484 Ca 0.31 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 64.29 3pcj n PRO 484 Cb 0.24 -1.88 0.29 0.00 -0.04 0.00 0.00 33.50 32.11 3pcj n PRO 484 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3pcj h LEU 485 N 0.00 0.00 -0.44 1.53 3.38 -1.95 -3.37 115.31 114.46 3pcj h LEU 485 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3pcj h LEU 485 Cb 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3pcj h LEU 485 CO 0.00 0.32 -0.55 0.40 0.09 0.00 0.00 178.44 178.70 3pcj h ILE 486 N 0.00 0.00 0.00 1.22 2.04 -1.87 -1.71 117.51 117.19 3pcj h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 486 Cb 0.98 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3pcj h ILE 486 CO 0.04 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.38 3pcj n PRO 487 N -5.33 0.01 0.00 2.37 -0.05 -1.26 -2.46 135.00 128.29 3pcj n PRO 487 Ca -0.03 0.35 0.11 0.00 -0.05 0.00 0.00 63.50 63.88 3pcj n PRO 487 Cb 0.33 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.14 3pcj n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 3pcj n MET 488 N -1.47 0.57 -2.29 0.54 2.81 -0.67 -4.96 117.12 111.64 3pcj n MET 488 Ca 0.02 -0.14 -0.42 0.00 -1.81 0.00 0.00 57.70 55.35 3pcj n MET 488 Cb 0.09 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 3pcj n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pcj h PRO 490 N 7.68 0.56 -0.18 0.00 0.11 -1.90 0.13 132.00 138.40 3pcj h PRO 490 Ca -0.37 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3pcj h PRO 490 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3pcj h PRO 490 CO 0.89 0.68 0.06 0.82 -0.21 0.00 0.00 178.00 180.24 3pcj h ILE 491 N 0.51 1.18 -0.37 4.15 2.04 -1.91 -2.06 117.51 121.05 3pcj h ILE 491 Ca 0.09 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3pcj h ILE 491 Cb 0.53 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3pcj h ILE 491 CO 0.03 0.18 0.18 0.58 0.00 0.00 0.00 178.15 179.12 3pcj h VAL 492 N 0.11 0.98 0.00 1.67 2.07 -1.78 -1.93 116.25 117.37 3pcj h VAL 492 Ca 0.06 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3pcj h VAL 492 Cb 0.22 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3pcj h VAL 492 CO -0.00 0.07 0.00 0.29 0.02 0.00 0.00 177.57 177.95 3pcj n LYS 493 N -4.94 0.23 0.23 1.57 5.02 0.44 -1.69 118.16 119.02 3pcj n LYS 493 Ca 0.01 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 3pcj n LYS 493 Cb 0.09 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.17 3pcj n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pcj h SER 494 N 0.00 0.00 -3.26 4.39 4.64 -0.62 -3.38 113.55 115.32 3pcj h SER 494 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3pcj h SER 494 Cb 0.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.08 3pcj h SER 494 CO 0.00 0.20 0.54 -0.63 -0.87 0.00 0.00 176.83 176.07 3pcj s ILE 495 N -4.28 4.80 0.11 0.95 1.01 -0.68 -3.67 121.20 119.42 3pcj s ILE 495 Ca -0.03 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 3pcj s ILE 495 Cb 0.14 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 38.22 3pcj s ILE 495 CO 0.65 -0.12 1.23 0.00 0.00 0.00 0.00 174.94 176.71 3pcj h ALA 496 N 7.68 0.25 -2.52 9.38 0.00 -1.85 -3.45 119.26 128.75 3pcj h ALA 496 Ca -0.22 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.30 3pcj h ALA 496 Cb 1.09 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 3pcj h ALA 496 CO 0.90 0.88 0.15 1.21 0.00 0.00 0.00 179.25 182.39 3pcj s ASN 497 N -7.12 6.65 0.41 0.00 3.04 -1.26 -4.92 114.94 111.74 3pcj s ASN 497 Ca -0.05 0.79 0.11 0.00 0.04 0.00 0.00 52.86 53.75 3pcj s ASN 497 Cb 0.08 -2.35 0.93 0.00 -1.54 0.00 0.00 41.25 38.37 3pcj s ASN 497 CO 0.87 -0.32 1.97 -0.65 -3.04 0.00 0.00 177.10 175.93 3pcj h PRO 498 N 7.66 0.51 -0.78 0.43 0.11 -2.00 -0.21 132.00 137.72 3pcj h PRO 498 Ca -0.29 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.83 3pcj h PRO 498 Cb 1.13 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3pcj h PRO 498 CO 0.78 0.34 0.51 0.93 -0.21 0.00 0.00 178.00 180.35 3pcj h GLU 499 N 0.53 0.88 -0.18 1.05 5.08 -1.99 -2.26 114.58 117.70 3pcj h GLU 499 Ca 0.30 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 3pcj h GLU 499 Cb 0.47 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3pcj h GLU 499 CO -0.09 0.58 -0.54 0.00 -1.00 0.00 0.00 179.01 177.96 3pcj h ALA 500 N 1.56 0.72 -0.69 3.43 0.00 -1.40 -3.15 119.26 119.73 3pcj h ALA 500 Ca 0.32 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3pcj h ALA 500 Cb 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3pcj h ALA 500 CO -0.10 0.69 0.45 0.28 0.00 0.00 0.00 179.25 180.57 3pcj h VAL 501 N 0.41 1.15 -0.58 0.00 2.07 -1.17 -2.36 116.25 115.76 3pcj h VAL 501 Ca 0.01 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.35 3pcj h VAL 501 Cb 1.08 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3pcj h VAL 501 CO 0.10 0.16 0.40 1.56 0.02 0.00 0.00 177.57 179.82 3pcj h GLN 502 N 0.90 0.22 0.00 1.57 1.08 -1.46 -1.29 115.11 116.14 3pcj h GLN 502 Ca 0.26 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3pcj h GLN 502 Cb -0.06 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3pcj h GLN 502 CO -0.07 0.15 -0.01 1.96 -0.95 0.00 0.00 178.83 179.90 3pcj h GLN 503 N 0.23 0.00 -0.01 1.46 4.20 -1.49 -2.56 115.11 116.95 3pcj h GLN 503 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3pcj h GLN 503 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3pcj h GLN 503 CO -0.05 0.01 -0.25 1.28 -0.67 0.00 0.00 178.83 179.15 3pcj n LEU 504 N -3.13 1.02 -4.51 1.46 4.77 -0.49 -4.84 117.00 111.29 3pcj n LEU 504 Ca -0.01 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 3pcj n LEU 504 Cb 0.20 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3pcj n LEU 504 CO 0.24 0.19 0.25 -0.63 -1.33 0.00 0.00 177.39 176.12 3pcj s ILE 505 N -2.49 4.95 0.23 -0.08 1.01 -0.97 -0.81 121.20 123.06 3pcj s ILE 505 Ca 0.25 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3pcj s ILE 505 Cb 0.19 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3pcj s ILE 505 CO 0.51 -0.50 1.38 0.00 0.00 0.00 0.00 174.94 176.34 3pcj s ALA 506 N 2.49 3.58 -0.10 9.38 0.00 0.12 -4.82 121.76 132.41 3pcj s ALA 506 Ca 0.18 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 3pcj s ALA 506 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3pcj s ALA 506 CO 0.16 -0.66 0.16 0.15 0.00 0.00 0.00 175.76 175.58 3pcj s LYS 507 N -0.34 3.47 0.22 0.00 1.02 -0.44 -1.57 119.74 122.10 3pcj s LYS 507 Ca 0.58 -0.13 -0.32 0.00 0.02 0.00 0.00 55.97 56.12 3pcj s LYS 507 Cb -0.40 -3.18 -0.13 0.00 -0.52 0.00 0.00 37.83 33.60 3pcj s LYS 507 CO 0.42 0.76 1.46 -0.11 -0.92 0.00 0.00 175.35 176.96 3pcj n LEU 508 N 1.81 3.13 -3.73 3.17 7.94 -1.26 0.32 117.00 128.38 3pcj n LEU 508 Ca -0.18 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.56 3pcj n LEU 508 Cb 0.54 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 42.94 3pcj n LEU 508 CO 0.33 -0.41 -0.18 -0.62 -1.11 0.00 0.00 177.39 175.40 3pcj s ASP 509 N 0.48 3.62 0.45 1.96 2.15 0.16 -4.78 116.67 120.72 3pcj s ASP 509 Ca 0.71 -3.21 0.12 0.00 0.43 0.00 0.00 52.55 50.60 3pcj s ASP 509 Cb -0.66 -1.16 1.04 0.00 -0.30 0.00 0.00 42.92 41.84 3pcj s ASP 509 CO 0.46 -0.18 2.07 0.24 -0.17 0.00 0.00 175.17 177.60 3pcj h MET 510 N 5.97 0.33 0.00 4.34 2.86 -1.93 -2.08 114.93 124.43 3pcj h MET 510 Ca 0.11 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3pcj h MET 510 Cb 0.86 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3pcj h MET 510 CO 0.56 0.22 -0.18 -0.91 1.06 0.00 0.00 176.91 177.65 3pcj h ASN 511 N 0.33 0.00 0.19 1.22 2.35 -1.95 -2.81 115.58 114.92 3pcj h ASN 511 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3pcj h ASN 511 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3pcj h ASN 511 CO -0.03 0.18 -0.86 -3.20 -1.65 0.00 0.00 177.43 171.87 3pcj n ASN 512 N -3.92 0.79 -4.76 5.81 5.15 -0.79 -4.97 115.26 112.57 3pcj n ASN 512 Ca -0.02 -0.68 -0.35 0.00 -0.60 0.00 0.00 54.58 52.94 3pcj n ASN 512 Cb 0.27 0.76 0.03 0.00 -0.53 0.00 0.00 39.78 40.31 3pcj n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pcj s ALA 513 N -3.03 2.54 -0.44 5.20 0.00 -1.06 -4.76 121.76 120.21 3pcj s ALA 513 Ca 0.08 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 3pcj s ALA 513 Cb 0.16 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.96 3pcj s ALA 513 CO 0.81 -1.11 0.35 -0.80 0.00 0.00 0.00 175.76 175.01 3pcj s ASN 514 N -2.00 6.11 0.27 0.00 0.01 0.07 -5.01 114.94 114.39 3pcj s ASN 514 Ca 0.72 -1.17 -0.27 0.00 -0.71 0.00 0.00 52.86 51.43 3pcj s ASN 514 Cb -0.25 -2.16 -0.15 0.00 0.41 0.00 0.00 41.25 39.10 3pcj s ASN 514 CO 0.34 -0.56 0.72 -2.65 -1.51 0.00 0.00 177.10 173.44 3pcj n PRO 515 N 5.17 0.64 -1.77 -0.60 -0.02 -1.26 -0.14 135.00 137.02 3pcj n PRO 515 Ca -0.12 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 3pcj n PRO 515 Cb 0.45 -1.42 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 3pcj n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcj n MET 516 N 0.84 -1.62 0.04 -0.52 2.81 -1.26 -4.66 117.12 112.75 3pcj n MET 516 Ca 0.14 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.73 3pcj n MET 516 Cb 0.30 -5.08 0.00 0.00 -0.71 0.00 0.00 33.22 27.73 3pcj n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pcj n ASP 517 N -0.97 -0.02 -3.70 7.83 2.03 0.80 -5.15 116.55 117.38 3pcj n ASP 517 Ca -0.14 0.13 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 3pcj n ASP 517 Cb 0.49 0.10 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 3pcj n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pcj s LEU 519 N -1.84 2.87 -0.01 0.00 1.43 -0.92 -0.75 118.68 119.46 3pcj s LEU 519 Ca -0.07 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3pcj s LEU 519 Cb -0.02 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 3pcj s LEU 519 CO -0.01 -2.12 0.07 0.00 0.23 0.00 0.00 176.35 174.53 3pcj s ALA 520 N -3.41 -0.17 -0.01 4.21 0.00 -1.26 -1.48 121.76 119.64 3pcj s ALA 520 Ca 0.68 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.59 3pcj s ALA 520 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3pcj s ALA 520 CO 0.47 -0.14 -0.25 0.71 0.00 0.00 0.00 175.76 176.55 3pcj s TYR 521 N -0.93 2.24 -0.18 0.00 1.51 0.14 0.37 117.35 120.50 3pcj s TYR 521 Ca -0.10 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 3pcj s TYR 521 Cb -0.06 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3pcj s TYR 521 CO 0.00 -0.01 0.04 0.50 -1.11 0.00 0.00 175.55 174.97 3pcj s ARG 522 N -0.68 3.88 -0.25 -0.62 6.06 0.15 -2.07 118.95 125.41 3pcj s ARG 522 Ca 0.10 -0.39 -0.03 0.00 -2.50 0.00 0.00 55.73 52.90 3pcj s ARG 522 Cb -0.10 -3.17 0.10 0.00 0.06 0.00 0.00 34.95 31.84 3pcj s ARG 522 CO -0.01 0.22 0.18 0.12 -2.50 0.00 0.00 175.30 173.31 3pcj s PHE 523 N 0.50 0.00 0.08 5.12 5.36 -0.17 -1.32 117.98 127.55 3pcj s PHE 523 Ca 0.02 -0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 55.53 3pcj s PHE 523 Cb -0.13 -0.65 -0.05 0.00 -0.34 0.00 0.00 43.02 41.84 3pcj s PHE 523 CO 0.01 -0.74 0.34 -0.51 -1.46 0.00 0.00 175.22 172.86 3pcj s ASP 524 N 2.21 6.54 -0.06 6.13 1.01 -1.26 -3.97 116.67 127.27 3pcj s ASP 524 Ca 0.07 0.63 0.04 0.00 0.71 0.00 0.00 52.55 54.01 3pcj s ASP 524 Cb -0.15 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 41.66 3pcj s ASP 524 CO -0.26 0.16 -0.20 -0.63 0.21 0.00 0.00 175.17 174.46 3pcj s ILE 525 N -1.45 1.66 -0.20 0.77 1.01 -0.31 -4.94 121.20 117.74 3pcj s ILE 525 Ca 0.34 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3pcj s ILE 525 Cb -0.13 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3pcj s ILE 525 CO 0.20 0.47 -0.05 -0.69 0.00 0.00 0.00 174.94 174.87 3pcj s VAL 526 N 0.13 3.42 0.25 2.92 1.01 -1.26 -1.59 120.40 125.29 3pcj s VAL 526 Ca -0.08 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3pcj s VAL 526 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3pcj s VAL 526 CO 0.04 0.44 0.32 -0.76 0.00 0.00 0.00 175.10 175.14 3pcj s LEU 527 N 1.19 4.11 0.32 3.92 1.43 -0.29 -4.92 118.68 124.45 3pcj s LEU 527 Ca 0.02 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 3pcj s LEU 527 Cb -0.14 -2.67 -0.14 0.00 0.03 0.00 0.00 46.19 43.27 3pcj s LEU 527 CO -0.01 -0.10 0.89 0.54 0.23 0.00 0.00 176.35 177.90 3pcj n ARG 528 N -1.35 1.09 -2.21 1.70 1.74 -1.26 -1.04 116.66 115.33 3pcj n ARG 528 Ca -0.08 0.39 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 3pcj n ARG 528 Cb 0.57 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3pcj n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pcj s GLY 529 N -0.69 2.67 -0.23 -0.13 0.00 -1.26 -4.26 107.32 103.41 3pcj s GLY 529 Ca 0.60 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 46.39 3pcj s GLY 529 CO 0.59 1.97 0.05 1.62 0.00 0.00 0.00 173.10 177.33 3pcj s GLN 530 N -0.74 3.66 0.25 2.90 0.74 -1.26 -0.75 119.66 124.45 3pcj s GLN 530 Ca 0.53 -0.48 0.07 0.00 0.05 0.00 0.00 55.36 55.53 3pcj s GLN 530 Cb -0.37 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 3pcj s GLN 530 CO 0.43 -0.12 -0.09 -0.98 -0.55 0.00 0.00 175.29 173.98 3pcj s ARG 531 N 1.40 1.44 0.43 1.67 1.70 -0.47 -4.98 118.95 120.15 3pcj s ARG 531 Ca 0.05 -1.70 -0.15 0.00 -0.47 0.00 0.00 55.73 53.46 3pcj s ARG 531 Cb -0.15 -1.10 -0.08 0.00 -0.57 0.00 0.00 34.95 33.05 3pcj s ARG 531 CO 0.03 0.09 0.87 -1.59 -1.08 0.00 0.00 175.30 173.62 3pcj s LYS 532 N -3.70 3.96 0.52 3.89 -2.85 -1.26 -1.34 119.74 118.96 3pcj s LYS 532 Ca 0.27 0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 55.84 3pcj s LYS 532 Cb 0.02 -2.27 -0.07 0.00 -2.06 0.00 0.00 37.83 33.45 3pcj s LYS 532 CO 0.10 -0.08 1.04 0.95 0.10 0.00 0.00 175.35 177.46 3pcj s THR 533 N -2.35 3.80 -0.03 3.79 -4.23 -1.23 -4.77 115.64 110.62 3pcj s THR 533 Ca 0.56 1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 62.00 3pcj s THR 533 Cb -0.10 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.32 3pcj s THR 533 CO 0.25 -0.33 0.23 -1.38 -0.54 0.00 0.00 174.62 172.86 3pcj s HIS 534 N -2.13 -0.12 -0.77 3.99 -3.43 -1.26 -4.93 115.29 106.64 3pcj s HIS 534 Ca 0.66 0.22 -0.08 0.00 -0.80 0.00 0.00 55.06 55.06 3pcj s HIS 534 Cb -0.16 0.04 0.08 0.00 -1.43 0.00 0.00 32.58 31.11 3pcj s HIS 534 CO 0.25 -0.29 0.24 1.19 -2.00 0.00 0.00 174.74 174.13 3pcj n PHE 535 N 1.75 -1.70 1.71 0.38 3.72 -1.26 -5.24 117.46 116.82 3pcj n PHE 535 Ca -0.20 0.26 0.15 0.00 -0.05 0.00 0.00 57.45 57.61 3pcj n PHE 535 Cb 0.56 -1.58 0.70 0.00 -0.94 0.00 0.00 39.48 38.22 3pcj n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10