#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcg s ALA 302 N 0.00 2.33 0.04 0.55 0.00 -1.26 -5.07 121.76 118.34 3pcg s ALA 302 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3pcg s ALA 302 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 3pcg s ALA 302 CO 0.00 -1.59 -0.08 -0.65 0.00 0.00 0.00 175.76 173.44 3pcg s GLN 303 N -4.57 0.54 -1.05 0.00 -0.21 -1.26 -5.09 119.66 108.02 3pcg s GLN 303 Ca 0.64 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 55.10 3pcg s GLN 303 Cb -0.19 -0.35 0.04 0.00 1.00 0.00 0.00 33.01 33.51 3pcg s GLN 303 CO 0.50 0.07 1.53 0.34 -2.12 0.00 0.00 175.29 175.61 3pcg s ASP 304 N -1.39 6.44 -0.00 5.90 2.15 -1.26 -4.70 116.67 123.80 3pcg s ASP 304 Ca -0.08 -1.53 0.02 0.00 0.43 0.00 0.00 52.55 51.39 3pcg s ASP 304 Cb -0.09 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3pcg s ASP 304 CO 0.00 -1.57 0.07 -0.46 -0.17 0.00 0.00 175.17 173.04 3pcg n ASN 305 N 9.24 0.08 -4.29 -0.34 0.23 -1.26 -5.02 115.26 113.90 3pcg n ASN 305 Ca 0.36 -0.54 -0.15 0.00 -0.53 0.00 0.00 54.58 53.72 3pcg n ASN 305 Cb 0.50 1.00 -0.10 0.00 -2.08 0.00 0.00 39.78 39.10 3pcg n ASN 305 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3pcg s SER 306 N -1.15 1.19 0.07 0.53 1.04 -1.26 -3.35 113.70 110.78 3pcg s SER 306 Ca 0.01 -1.30 0.07 0.00 0.48 0.00 0.00 55.95 55.21 3pcg s SER 306 Cb 0.01 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 3pcg s SER 306 CO 0.06 -0.67 -0.19 -0.13 0.98 0.00 0.00 173.24 173.29 3pcg s ARG 307 N -3.99 1.15 -0.03 4.02 1.81 0.46 -4.82 118.95 117.55 3pcg s ARG 307 Ca 0.32 -1.03 0.04 0.00 -1.72 0.00 0.00 55.73 53.34 3pcg s ARG 307 Cb 0.07 -1.32 -0.03 0.00 -0.45 0.00 0.00 34.95 33.22 3pcg s ARG 307 CO 0.10 0.32 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.84 3pcg s PHE 308 N -1.03 2.72 0.27 -0.53 0.40 -1.26 -1.13 117.98 117.41 3pcg s PHE 308 Ca 0.05 -0.15 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3pcg s PHE 308 Cb -0.09 -1.61 -0.12 0.00 0.51 0.00 0.00 43.02 41.71 3pcg s PHE 308 CO 0.03 0.23 1.50 0.28 0.70 0.00 0.00 175.22 177.96 3pcg n VAL 309 N 2.09 1.01 -1.71 -0.44 0.31 -0.46 -4.89 118.33 114.24 3pcg n VAL 309 Ca -0.17 -0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 3pcg n VAL 309 Cb 0.52 -1.72 0.01 0.00 -0.91 0.00 0.00 33.84 31.74 3pcg n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3pcg n ILE 310 N 1.98 2.36 -2.24 2.52 2.08 -1.26 -4.70 119.36 120.09 3pcg n ILE 310 Ca 0.10 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.56 3pcg n ILE 310 Cb 0.34 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 3pcg n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pcg s ARG 311 N -2.12 3.33 -0.54 0.38 0.52 -1.26 -4.99 118.95 114.26 3pcg s ARG 311 Ca 0.59 1.63 -0.14 0.00 -0.52 0.00 0.00 55.73 57.29 3pcg s ARG 311 Cb -0.52 -2.00 0.13 0.00 0.52 0.00 0.00 34.95 33.09 3pcg s ARG 311 CO 0.60 -0.88 0.48 0.34 0.02 0.00 0.00 175.30 175.86 3pcg s ASP 312 N -1.75 6.10 0.00 0.23 -1.08 -1.26 -4.92 116.67 113.99 3pcg s ASP 312 Ca 0.73 -1.88 0.22 0.00 -0.52 0.00 0.00 52.55 51.10 3pcg s ASP 312 Cb -0.24 -2.16 1.32 0.00 -1.46 0.00 0.00 42.92 40.38 3pcg s ASP 312 CO 0.27 -0.80 1.74 0.54 0.52 0.00 0.00 175.17 177.44 3pcg n ARG 313 N 5.08 0.80 -0.00 4.34 1.74 -1.26 -1.71 116.66 125.65 3pcg n ARG 313 Ca -0.11 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.07 3pcg n ARG 313 Cb 0.41 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 3pcg n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pcg n ASN 314 N -0.93 0.80 -0.04 0.55 3.02 -1.26 -4.35 115.26 113.05 3pcg n ASN 314 Ca 0.17 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.76 3pcg n ASN 314 Cb 0.08 1.21 -0.13 0.00 -0.61 0.00 0.00 39.78 40.33 3pcg n ASN 314 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3pcg n TRP 315 N -1.63 1.10 -1.58 3.10 -0.00 -0.70 -4.69 117.44 113.04 3pcg n TRP 315 Ca 0.02 0.32 -0.31 0.00 -0.00 0.00 0.00 57.50 57.53 3pcg n TRP 315 Cb 0.35 -1.13 0.05 0.00 -0.00 0.00 0.00 31.31 30.59 3pcg n TRP 315 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 3pcg s HIS 316 N -2.48 3.09 0.40 5.87 3.76 -1.01 -4.73 115.29 120.19 3pcg s HIS 316 Ca -0.26 1.37 -0.26 0.00 -0.15 0.00 0.00 55.06 55.77 3pcg s HIS 316 Cb 0.07 -2.91 -0.08 0.00 1.11 0.00 0.00 32.58 30.76 3pcg s HIS 316 CO 0.69 -1.29 1.21 -1.25 -0.85 0.00 0.00 174.74 173.24 3pcg s PRO 317 N -5.07 4.04 0.87 8.40 0.04 -1.26 -4.76 135.00 137.26 3pcg s PRO 317 Ca 0.58 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.44 3pcg s PRO 317 Cb -0.14 -2.71 0.11 0.00 0.04 0.00 0.00 34.50 31.80 3pcg s PRO 317 CO 0.55 -0.36 1.11 0.15 0.04 0.00 0.00 177.00 178.49 3pcg s LYS 318 N -2.26 1.47 0.02 4.56 -0.14 -1.23 -4.99 119.74 117.17 3pcg s LYS 318 Ca 0.57 0.51 -0.23 0.00 -1.36 0.00 0.00 55.97 55.46 3pcg s LYS 318 Cb -0.33 -1.86 -0.16 0.00 -1.68 0.00 0.00 37.83 33.80 3pcg s LYS 318 CO 0.42 -2.02 1.38 0.00 -0.76 0.00 0.00 175.35 174.37 3pcg h ALA 319 N -1.37 0.12 -2.23 5.17 0.00 -1.95 -3.40 119.26 115.59 3pcg h ALA 319 Ca -0.49 -0.23 -0.68 0.00 0.00 0.00 0.00 54.91 53.50 3pcg h ALA 319 Cb 1.30 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.88 3pcg h ALA 319 CO 0.60 -0.13 -0.04 -1.17 0.00 0.00 0.00 179.25 178.50 3pcg s LEU 320 N -9.34 4.84 -0.41 0.00 2.96 -1.26 -4.73 118.68 110.73 3pcg s LEU 320 Ca -0.15 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 3pcg s LEU 320 Cb 0.04 -2.48 0.15 0.00 0.50 0.00 0.00 46.19 44.40 3pcg s LEU 320 CO 0.71 -0.74 0.27 0.42 -1.32 0.00 0.00 176.35 175.69 3pcg s THR 321 N 2.45 0.66 0.43 3.68 -4.23 -1.26 -5.03 115.64 112.35 3pcg s THR 321 Ca 0.15 -2.35 0.26 0.00 -1.18 0.00 0.00 61.69 58.57 3pcg s THR 321 Cb -0.17 -1.47 0.46 0.00 1.34 0.00 0.00 72.50 72.66 3pcg s THR 321 CO 0.14 -1.05 1.70 -0.65 -0.54 0.00 0.00 174.62 174.23 3pcg h PRO 322 N 6.43 0.20 0.00 3.99 0.11 -1.94 0.28 132.00 141.07 3pcg h PRO 322 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3pcg h PRO 322 Cb 0.93 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3pcg h PRO 322 CO 0.37 0.13 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.80 3pcg h ASP 323 N 0.21 0.00 -2.89 -2.05 3.32 -1.96 -3.12 116.42 109.94 3pcg h ASP 323 Ca 0.70 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 57.02 3pcg h ASP 323 Cb 2.11 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 41.46 3pcg h ASP 323 CO -0.31 0.06 0.60 -0.47 -1.72 0.00 0.00 179.24 177.40 3pcg s TYR 324 N -4.60 3.37 0.18 4.55 5.04 0.97 -4.86 117.35 122.01 3pcg s TYR 324 Ca -0.04 -1.64 -0.26 0.00 -2.44 0.00 0.00 57.07 52.68 3pcg s TYR 324 Cb 0.15 -4.12 0.02 0.00 0.35 0.00 0.00 41.96 38.36 3pcg s TYR 324 CO 0.60 -1.31 1.52 1.63 -1.34 0.00 0.00 175.55 176.64 3pcg n LYS 325 N 5.59 -0.37 0.22 4.97 5.02 -1.18 -1.20 118.16 131.21 3pcg n LYS 325 Ca 0.21 1.49 0.18 0.00 -2.02 0.00 0.00 58.31 58.17 3pcg n LYS 325 Cb 0.48 -2.20 0.85 0.00 -0.02 0.00 0.00 35.03 34.14 3pcg n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pcg h THR 326 N 0.00 0.33 0.00 -0.18 2.02 -1.92 0.11 112.91 113.28 3pcg h THR 326 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3pcg h THR 326 Cb 0.46 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3pcg h THR 326 CO -0.94 0.00 0.00 0.77 0.37 0.00 0.00 175.52 175.72 3pcg h SER 327 N 0.00 0.00 0.19 4.18 4.64 -1.46 -3.11 113.55 118.00 3pcg h SER 327 Ca 0.09 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3pcg h SER 327 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3pcg h SER 327 CO -0.00 0.00 -0.22 0.40 -0.87 0.00 0.00 176.83 176.14 3pcg h ILE 328 N 0.00 0.53 -0.00 0.95 2.04 -0.90 -2.82 117.51 117.31 3pcg h ILE 328 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcg h ILE 328 Cb 0.39 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3pcg h ILE 328 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 3pcg n ALA 329 N -2.48 2.79 -1.12 1.87 0.00 -1.23 -3.93 120.51 116.40 3pcg n ALA 329 Ca -0.08 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.19 3pcg n ALA 329 Cb 0.25 -1.33 0.21 0.00 0.00 0.00 0.00 19.45 18.58 3pcg n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pcg n ARG 330 N -1.22 2.22 -5.06 0.00 1.74 -1.11 -4.96 116.66 108.27 3pcg n ARG 330 Ca 0.11 -2.85 -0.32 0.00 -0.77 0.00 0.00 57.85 54.01 3pcg n ARG 330 Cb 0.30 -1.74 -0.16 0.00 -1.02 0.00 0.00 32.46 29.85 3pcg n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pcg s SER 331 N -2.36 3.47 0.54 0.55 1.04 -1.08 -4.98 113.70 110.87 3pcg s SER 331 Ca 0.40 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 3pcg s SER 331 Cb 0.34 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.12 3pcg s SER 331 CO 0.05 0.20 1.27 -2.16 0.98 0.00 0.00 173.24 173.58 3pcg s PRO 332 N 0.13 3.25 -0.02 4.02 0.04 -1.26 -4.96 135.00 136.20 3pcg s PRO 332 Ca -0.10 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.14 3pcg s PRO 332 Cb -0.16 -2.21 -0.28 0.00 0.04 0.00 0.00 34.50 31.89 3pcg s PRO 332 CO 0.06 -1.03 0.47 0.54 0.04 0.00 0.00 177.00 177.08 3pcg n ARG 333 N -1.03 0.62 -2.99 4.56 5.12 -1.26 -4.93 116.66 116.75 3pcg n ARG 333 Ca 0.10 -0.15 -0.27 0.00 -1.93 0.00 0.00 57.85 55.61 3pcg n ARG 333 Cb 0.47 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.31 3pcg n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pcg s GLN 334 N -3.25 3.56 0.49 5.56 -1.52 -1.26 -5.06 119.66 118.18 3pcg s GLN 334 Ca -0.05 0.04 -0.20 0.00 -1.95 0.00 0.00 55.36 53.20 3pcg s GLN 334 Cb 0.13 -2.50 -0.08 0.00 -0.22 0.00 0.00 33.01 30.33 3pcg s GLN 334 CO 0.79 -0.02 1.03 0.00 -0.25 0.00 0.00 175.29 176.85 3pcg s ALA 335 N -2.47 2.88 0.72 6.09 0.00 -1.26 -5.00 121.76 122.72 3pcg s ALA 335 Ca 0.45 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 3pcg s ALA 335 Cb -0.10 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3pcg s ALA 335 CO 0.39 -0.30 1.18 -0.51 0.00 0.00 0.00 175.76 176.52 3pcg s LEU 336 N -3.52 3.31 -0.30 0.00 1.43 -1.26 -4.99 118.68 113.35 3pcg s LEU 336 Ca 0.67 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 3pcg s LEU 336 Cb -0.16 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 3pcg s LEU 336 CO 0.20 -2.16 0.21 -0.69 0.23 0.00 0.00 176.35 174.14 3pcg s VAL 337 N -2.09 5.30 0.23 -1.59 1.01 -1.26 -5.07 120.40 116.93 3pcg s VAL 337 Ca 0.72 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 3pcg s VAL 337 Cb -0.27 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3pcg s VAL 337 CO 0.45 0.14 1.06 -0.44 0.00 0.00 0.00 175.10 176.32 3pcg s SER 338 N 1.74 7.35 0.02 3.32 0.01 -1.26 -5.04 113.70 119.85 3pcg s SER 338 Ca 0.07 2.13 0.03 0.00 1.31 0.00 0.00 55.95 59.49 3pcg s SER 338 Cb -0.17 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3pcg s SER 338 CO 0.11 -0.10 -0.11 0.27 0.41 0.00 0.00 173.24 173.82 3pcg s ILE 339 N -0.84 0.83 0.58 1.44 -4.36 -1.26 -5.14 121.20 112.46 3pcg s ILE 339 Ca 0.45 -0.75 -0.19 0.00 -0.26 0.00 0.00 60.65 59.90 3pcg s ILE 339 Cb -0.30 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 3pcg s ILE 339 CO 0.37 0.01 1.18 -2.16 0.24 0.00 0.00 174.94 174.58 3pcg s PRO 340 N -0.83 3.08 0.30 0.37 0.04 -1.26 -4.97 135.00 131.73 3pcg s PRO 340 Ca 0.00 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 3pcg s PRO 340 Cb -0.06 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3pcg s PRO 340 CO 0.00 -1.10 1.14 -0.65 0.04 0.00 0.00 177.00 176.44 3pcg s GLN 341 N -3.34 4.56 0.32 4.56 -0.21 -1.26 -5.02 119.66 119.27 3pcg s GLN 341 Ca 0.76 1.89 0.04 0.00 0.02 0.00 0.00 55.36 58.07 3pcg s GLN 341 Cb -0.28 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 3pcg s GLN 341 CO 0.31 0.11 0.18 -1.54 -2.12 0.00 0.00 175.29 172.23 3pcg s SER 342 N -0.81 1.67 0.57 5.90 1.04 -1.26 -5.01 113.70 115.80 3pcg s SER 342 Ca 0.46 -1.61 0.29 0.00 0.48 0.00 0.00 55.95 55.57 3pcg s SER 342 Cb -0.33 0.44 1.47 0.00 0.10 0.00 0.00 66.02 67.69 3pcg s SER 342 CO 0.43 -0.93 1.90 -0.29 0.98 0.00 0.00 173.24 175.34 3pcg h ILE 343 N 2.16 0.46 -0.44 -1.02 2.10 -1.95 0.76 117.51 119.58 3pcg h ILE 343 Ca -0.32 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.53 3pcg h ILE 343 Cb 1.25 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.57 3pcg h ILE 343 CO 0.49 0.00 -0.10 0.28 -1.08 0.00 0.00 178.15 177.75 3pcg h SER 344 N 0.00 0.77 0.32 2.19 0.02 -1.95 -3.14 113.55 111.76 3pcg h SER 344 Ca 0.28 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3pcg h SER 344 Cb 1.31 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3pcg h SER 344 CO -0.00 0.90 -1.79 -0.62 -1.14 0.00 0.00 176.83 174.17 3pcg n GLU 345 N -4.17 0.65 -0.22 3.45 4.71 0.11 -4.42 120.64 120.75 3pcg n GLU 345 Ca 0.01 -0.01 0.10 0.00 -0.01 0.00 0.00 57.16 57.26 3pcg n GLU 345 Cb 0.36 -1.64 0.26 0.00 -1.01 0.00 0.00 31.44 29.41 3pcg n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pcg n THR 346 N -2.58 0.59 -4.45 2.62 -2.24 -0.35 -2.93 114.28 104.93 3pcg n THR 346 Ca -0.11 -0.67 -0.22 0.00 -2.27 0.00 0.00 64.05 60.79 3pcg n THR 346 Cb 0.76 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 3pcg n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pcg s THR 347 N -1.41 1.30 0.01 4.28 -4.23 -1.19 -4.76 115.64 109.63 3pcg s THR 347 Ca 0.36 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 3pcg s THR 347 Cb 0.20 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 71.40 3pcg s THR 347 CO 0.27 -0.05 1.22 -0.83 -0.54 0.00 0.00 174.62 174.69 3pcg s GLY 348 N -3.49 -0.38 0.60 3.99 0.00 -1.23 -1.39 107.32 105.42 3pcg s GLY 348 Ca 0.35 0.64 -0.18 0.00 0.00 0.00 0.00 44.72 45.53 3pcg s GLY 348 CO 0.15 0.12 1.20 2.56 0.00 0.00 0.00 173.10 177.13 3pcg s PRO 349 N -2.58 2.93 -0.15 2.90 0.04 -1.26 -4.83 135.00 132.05 3pcg s PRO 349 Ca 0.14 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3pcg s PRO 349 Cb 0.03 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.65 3pcg s PRO 349 CO -0.03 -1.23 -0.19 1.21 0.04 0.00 0.00 177.00 176.81 3pcg s ASN 350 N -1.68 3.37 -0.16 6.66 3.84 -1.26 -4.86 114.94 120.85 3pcg s ASN 350 Ca 0.77 -0.55 0.17 0.00 0.21 0.00 0.00 52.86 53.46 3pcg s ASN 350 Cb -0.29 -1.50 0.77 0.00 -0.55 0.00 0.00 41.25 39.67 3pcg s ASN 350 CO 0.34 0.07 1.69 0.49 -2.79 0.00 0.00 177.10 176.90 3pcg n PHE 351 N 4.13 1.73 -0.33 0.43 3.72 -1.26 -4.59 117.46 121.29 3pcg n PHE 351 Ca -0.20 -0.65 0.17 0.00 -0.05 0.00 0.00 57.45 56.72 3pcg n PHE 351 Cb 0.51 -0.34 0.39 0.00 -0.94 0.00 0.00 39.48 39.11 3pcg n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pcg h SER 352 N 4.14 0.66 -0.17 4.37 0.02 -1.96 -1.28 113.55 119.32 3pcg h SER 352 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3pcg h SER 352 Cb 1.66 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3pcg h SER 352 CO 0.33 0.19 0.00 1.41 -1.14 0.00 0.00 176.83 177.62 3pcg n HIS 353 N -4.73 0.22 -2.33 3.45 8.25 -1.26 -4.93 115.22 113.88 3pcg n HIS 353 Ca 0.24 -0.11 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 3pcg n HIS 353 Cb 0.68 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 3pcg n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pcg s LEU 354 N -1.60 4.31 -0.77 2.41 2.96 -0.49 -4.96 118.68 120.54 3pcg s LEU 354 Ca 0.33 2.36 -0.19 0.00 -0.22 0.00 0.00 54.13 56.40 3pcg s LEU 354 Cb 0.18 -3.88 0.12 0.00 0.50 0.00 0.00 46.19 43.11 3pcg s LEU 354 CO 0.27 -0.51 0.95 -0.83 -1.32 0.00 0.00 176.35 174.92 3pcg s GLY 355 N -1.01 1.84 0.23 7.98 0.00 -1.26 -5.03 107.32 110.07 3pcg s GLY 355 Ca 0.53 -2.48 -0.23 0.00 0.00 0.00 0.00 44.72 42.54 3pcg s GLY 355 CO 0.40 1.84 0.79 -1.36 0.00 0.00 0.00 173.10 174.78 3pcg s PHE 356 N 2.75 3.75 0.91 1.90 0.08 -1.26 -5.07 117.98 121.03 3pcg s PHE 356 Ca 0.24 1.56 -0.12 0.00 0.12 0.00 0.00 56.93 58.72 3pcg s PHE 356 Cb -0.13 -2.74 0.14 0.00 -0.57 0.00 0.00 43.02 39.72 3pcg s PHE 356 CO -0.01 0.37 1.13 0.20 -0.10 0.00 0.00 175.22 176.81 3pcg s GLY 357 N -1.48 1.58 0.47 4.36 0.00 -1.26 -4.96 107.32 106.03 3pcg s GLY 357 Ca 0.42 -0.50 0.26 0.00 0.00 0.00 0.00 44.72 44.90 3pcg s GLY 357 CO 0.23 0.06 1.89 0.00 0.00 0.00 0.00 173.10 175.28 3pcg h ALA 358 N -1.50 1.06 -0.02 3.20 0.00 -2.02 -3.06 119.26 116.93 3pcg h ALA 358 Ca -0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3pcg h ALA 358 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3pcg h ALA 358 CO 0.62 0.23 -0.39 0.72 0.00 0.00 0.00 179.25 180.43 3pcg n HIS 359 N -3.41 0.06 -0.27 0.00 8.25 -1.26 -4.77 115.22 113.82 3pcg n HIS 359 Ca -0.00 -1.41 -0.03 0.00 -0.26 0.00 0.00 57.72 56.02 3pcg n HIS 359 Cb 0.38 -0.24 0.14 0.00 1.12 0.00 0.00 29.99 31.39 3pcg n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pcg h ASP 360 N 0.83 1.01 -0.13 0.41 5.19 -1.81 -1.74 116.42 120.18 3pcg h ASP 360 Ca 0.01 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3pcg h ASP 360 Cb 1.03 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3pcg h ASP 360 CO 0.02 0.82 0.00 0.00 -3.12 0.00 0.00 179.24 176.96 3pcg n HIS 361 N -4.34 0.16 -3.89 4.55 1.44 -1.01 -1.88 115.22 110.25 3pcg n HIS 361 Ca 0.08 -0.08 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 3pcg n HIS 361 Cb 0.11 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.09 3pcg n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pcg s ASP 362 N -1.74 4.99 0.00 4.39 -1.08 -0.65 -2.33 116.67 120.24 3pcg s ASP 362 Ca 0.34 -1.87 0.25 0.00 -0.52 0.00 0.00 52.55 50.75 3pcg s ASP 362 Cb 0.19 -1.73 1.21 0.00 -1.46 0.00 0.00 42.92 41.13 3pcg s ASP 362 CO 0.30 -0.41 1.81 0.18 0.52 0.00 0.00 175.17 177.57 3pcg n LEU 363 N 4.49 0.00 0.14 -1.34 4.32 0.16 -0.69 117.00 124.08 3pcg n LEU 363 Ca -0.03 0.32 0.10 0.00 -0.02 0.00 0.00 56.01 56.38 3pcg n LEU 363 Cb 0.42 -0.32 0.06 0.00 -1.62 0.00 0.00 43.42 41.95 3pcg n LEU 363 CO 0.28 -0.06 0.34 -0.07 -1.22 0.00 0.00 177.39 176.65 3pcg h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.92 -3.40 115.31 116.29 3pcg h LEU 364 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pcg h LEU 364 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3pcg h LEU 364 CO 0.00 0.11 -0.48 0.18 -1.08 0.00 0.00 178.44 177.17 3pcg n LEU 365 N -2.92 0.00 0.00 1.67 4.77 -0.96 -4.61 117.00 114.95 3pcg n LEU 365 Ca 0.01 -0.14 0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3pcg n LEU 365 Cb 0.59 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.29 3pcg n LEU 365 CO 0.38 0.00 0.80 -0.46 -1.33 0.00 0.00 177.39 176.78 3pcg n ASN 366 N -1.01 0.00 0.02 -1.43 0.23 0.14 -5.04 115.26 108.17 3pcg n ASN 366 Ca 0.00 -0.66 -0.00 0.00 -0.53 0.00 0.00 54.58 53.39 3pcg n ASN 366 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3pcg n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pcg n PHE 367 N -0.99 0.00 -0.14 -2.53 7.35 -1.26 -4.97 117.46 114.91 3pcg n PHE 367 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 3pcg n PHE 367 Cb 0.07 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.88 3pcg n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pcg n GLY 371 N 3.36 0.00 3.88 7.13 0.00 -1.26 -4.66 105.19 113.64 3pcg n GLY 371 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3pcg n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pcg s LEU 372 N -0.94 4.35 0.85 0.99 2.96 -1.26 -4.81 118.68 120.81 3pcg s LEU 372 Ca 0.00 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 3pcg s LEU 372 Cb 0.00 -2.90 0.10 0.00 0.50 0.00 0.00 46.19 43.89 3pcg s LEU 372 CO 0.00 0.19 1.10 -2.84 -1.32 0.00 0.00 176.35 173.48 3pcg s PRO 373 N -1.91 1.64 -0.09 0.98 0.02 -1.26 -4.80 135.00 129.58 3pcg s PRO 373 Ca 0.32 1.16 -0.13 0.00 0.02 0.00 0.00 61.00 62.37 3pcg s PRO 373 Cb -0.14 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3pcg s PRO 373 CO 0.18 -2.07 0.30 0.42 -0.33 0.00 0.00 177.00 175.50 3pcg s ILE 374 N -2.84 5.24 0.00 2.83 1.01 -1.26 -5.00 121.20 121.18 3pcg s ILE 374 Ca 0.63 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.87 3pcg s ILE 374 Cb -0.19 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3pcg s ILE 374 CO 0.57 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.64 3pcg n GLY 375 N 2.41 2.48 3.61 6.18 0.00 -1.26 -4.44 105.19 114.16 3pcg n GLY 375 Ca -0.15 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3pcg n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 376 N -1.66 3.64 0.05 1.61 2.02 -1.26 -4.90 118.70 118.19 3pcg s GLU 376 Ca 0.00 1.22 -0.31 0.00 0.02 0.00 0.00 54.97 55.91 3pcg s GLU 376 Cb 0.00 -4.03 -0.07 0.00 0.10 0.00 0.00 34.13 30.13 3pcg s GLU 376 CO 0.00 -1.48 1.43 1.03 0.02 0.00 0.00 175.26 176.26 3pcg s ARG 377 N 4.87 4.28 0.03 1.61 0.52 -1.26 -1.12 118.95 127.89 3pcg s ARG 377 Ca 0.66 2.05 -0.09 0.00 -0.52 0.00 0.00 55.73 57.83 3pcg s ARG 377 Cb -0.18 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3pcg s ARG 377 CO 0.30 -0.55 0.19 0.96 0.02 0.00 0.00 175.30 176.22 3pcg s ILE 378 N 1.99 0.11 -0.09 1.52 -4.36 0.73 -1.88 121.20 119.21 3pcg s ILE 378 Ca 0.65 -0.88 -0.02 0.00 -0.26 0.00 0.00 60.65 60.15 3pcg s ILE 378 Cb -0.34 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.47 3pcg s ILE 378 CO 0.29 -0.48 -0.01 -0.63 0.24 0.00 0.00 174.94 174.34 3pcg s ILE 379 N -2.44 4.20 -0.22 8.37 1.01 -0.24 -0.43 121.20 131.47 3pcg s ILE 379 Ca -0.06 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3pcg s ILE 379 Cb -0.02 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.73 3pcg s ILE 379 CO -0.03 0.60 -0.13 -0.69 0.00 0.00 0.00 174.94 174.69 3pcg s VAL 380 N -0.79 1.93 0.07 2.92 1.01 0.05 -0.44 120.40 125.15 3pcg s VAL 380 Ca 0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3pcg s VAL 380 Cb -0.11 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3pcg s VAL 380 CO 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 175.10 175.29 3pcg s ALA 381 N 1.26 0.63 0.00 5.51 0.00 -0.78 -0.20 121.76 128.18 3pcg s ALA 381 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3pcg s ALA 381 Cb -0.17 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3pcg s ALA 381 CO -0.08 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3pcg n GLY 382 N 0.05 -1.28 3.36 0.00 0.00 -0.92 -0.10 105.19 106.30 3pcg n GLY 382 Ca -0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 3pcg n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcg s ARG 383 N -0.64 1.32 -0.27 1.61 3.52 -1.26 -1.33 118.95 121.91 3pcg s ARG 383 Ca 0.00 -1.30 -0.04 0.00 -0.13 0.00 0.00 55.73 54.26 3pcg s ARG 383 Cb 0.00 -1.74 0.02 0.00 -1.56 0.00 0.00 34.95 31.67 3pcg s ARG 383 CO 0.00 0.41 -0.00 0.08 -0.81 0.00 0.00 175.30 174.98 3pcg s VAL 384 N -1.12 3.30 0.36 7.11 1.01 0.60 -0.88 120.40 130.79 3pcg s VAL 384 Ca 0.12 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3pcg s VAL 384 Cb -0.10 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3pcg s VAL 384 CO 0.06 0.14 0.08 0.68 0.00 0.00 0.00 175.10 176.05 3pcg s VAL 385 N 1.39 1.01 0.58 2.92 -7.23 -0.21 -1.30 120.40 117.56 3pcg s VAL 385 Ca 0.01 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 3pcg s VAL 385 Cb -0.17 -2.63 0.08 0.00 0.56 0.00 0.00 36.38 34.22 3pcg s VAL 385 CO -0.02 0.00 0.68 -0.90 -0.31 0.00 0.00 175.10 174.56 3pcg n ASP 386 N -0.89 2.39 0.32 4.85 5.75 0.73 -1.26 116.55 128.43 3pcg n ASP 386 Ca -0.04 -2.70 0.21 0.00 -0.01 0.00 0.00 54.79 52.25 3pcg n ASP 386 Cb 0.66 -0.30 1.08 0.00 -1.03 0.00 0.00 41.12 41.53 3pcg n ASP 386 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3pcg h GLN 387 N 0.00 0.00 -0.05 0.11 4.20 -1.49 0.88 115.11 118.76 3pcg h GLN 387 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3pcg h GLN 387 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3pcg h GLN 387 CO 0.45 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.27 3pcg n TYR 388 N -3.03 0.06 -0.75 2.96 4.01 -1.26 -4.91 117.16 114.23 3pcg n TYR 388 Ca -0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3pcg n TYR 388 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3pcg n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pcg n GLY 389 N 1.12 0.73 3.74 2.72 0.00 0.30 -5.04 105.19 108.76 3pcg n GLY 389 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3pcg n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcg s LYS 390 N -0.25 4.63 0.54 1.61 2.20 -1.25 -4.71 119.74 122.51 3pcg s LYS 390 Ca 0.00 1.31 -0.21 0.00 -0.36 0.00 0.00 55.97 56.72 3pcg s LYS 390 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 3pcg s LYS 390 CO 0.00 0.26 1.24 -2.14 -0.36 0.00 0.00 175.35 174.35 3pcg s PRO 391 N -0.10 3.25 -0.62 4.03 0.02 -1.26 -0.19 135.00 140.12 3pcg s PRO 391 Ca 0.44 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 3pcg s PRO 391 Cb -0.22 -2.16 0.16 0.00 0.02 0.00 0.00 34.50 32.29 3pcg s PRO 391 CO 0.27 -1.01 0.42 0.08 -0.33 0.00 0.00 177.00 176.44 3pcg s VAL 392 N -1.49 3.48 0.63 3.83 1.01 -0.42 -4.82 120.40 122.61 3pcg s VAL 392 Ca 0.72 -3.14 -0.12 0.00 0.00 0.00 0.00 61.98 59.44 3pcg s VAL 392 Cb -0.33 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3pcg s VAL 392 CO 0.38 -0.88 1.03 -2.16 0.00 0.00 0.00 175.10 173.47 3pcg s PRO 393 N -0.24 3.43 -1.59 2.72 0.04 -1.26 -4.08 135.00 134.02 3pcg s PRO 393 Ca 0.18 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 3pcg s PRO 393 Cb -0.20 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.38 3pcg s PRO 393 CO -0.03 -0.70 0.75 0.09 0.04 0.00 0.00 177.00 177.14 3pcg n ASN 394 N -2.66 -2.94 -4.66 6.66 4.13 -0.10 -4.93 115.26 110.77 3pcg n ASN 394 Ca 0.07 -0.95 -0.31 0.00 1.68 0.00 0.00 54.58 55.06 3pcg n ASN 394 Cb 0.54 -3.10 -0.09 0.00 -1.54 0.00 0.00 39.78 35.58 3pcg n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pcg s THR 395 N -3.45 3.91 -0.16 3.41 -1.32 -1.25 -4.53 115.64 112.25 3pcg s THR 395 Ca 0.55 -0.87 -0.27 0.00 -1.21 0.00 0.00 61.69 59.88 3pcg s THR 395 Cb -0.29 -2.79 -0.01 0.00 -1.51 0.00 0.00 72.50 67.89 3pcg s THR 395 CO 0.90 0.24 0.91 -0.22 -2.21 0.00 0.00 174.62 174.24 3pcg s LEU 396 N -1.91 4.19 -0.23 9.08 2.96 -1.26 -0.64 118.68 130.87 3pcg s LEU 396 Ca 0.22 1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 55.44 3pcg s LEU 396 Cb -0.11 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.22 3pcg s LEU 396 CO 0.13 -0.45 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.92 3pcg s VAL 397 N 2.23 2.62 0.03 1.68 1.01 -0.48 -1.36 120.40 126.13 3pcg s VAL 397 Ca 0.42 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3pcg s VAL 397 Cb -0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3pcg s VAL 397 CO 0.13 0.29 -0.16 -1.61 0.00 0.00 0.00 175.10 173.75 3pcg s GLU 398 N 1.31 2.18 0.08 2.72 2.02 -0.58 -1.01 118.70 125.42 3pcg s GLU 398 Ca 0.01 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 3pcg s GLU 398 Cb -0.16 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 3pcg s GLU 398 CO -0.07 0.56 0.04 0.00 0.02 0.00 0.00 175.26 175.81 3pcg s MET 399 N -1.36 0.76 -0.04 1.61 0.23 0.15 -1.82 119.30 118.83 3pcg s MET 399 Ca 0.15 -1.24 -0.29 0.00 -1.03 0.00 0.00 55.69 53.28 3pcg s MET 399 Cb -0.11 0.25 0.06 0.00 -1.53 0.00 0.00 34.83 33.51 3pcg s MET 399 CO 0.05 -0.19 0.62 1.67 -2.03 0.00 0.00 175.02 175.14 3pcg s TRP 400 N -3.95 -0.59 0.21 3.16 -2.14 -0.96 -1.69 118.94 112.97 3pcg s TRP 400 Ca 0.12 0.99 -0.23 0.00 2.66 0.00 0.00 56.10 59.65 3pcg s TRP 400 Cb 0.07 0.37 0.06 0.00 -3.10 0.00 0.00 33.47 30.86 3pcg s TRP 400 CO -0.06 -0.58 0.92 1.14 -2.66 0.00 0.00 176.95 175.70 3pcg s GLN 401 N -1.24 1.43 0.52 3.25 -2.07 -0.86 0.02 119.66 120.70 3pcg s GLN 401 Ca -0.11 -0.83 -0.05 0.00 -1.82 0.00 0.00 55.36 52.55 3pcg s GLN 401 Cb -0.01 0.46 0.11 0.00 -1.09 0.00 0.00 33.01 32.48 3pcg s GLN 401 CO 0.09 -0.66 0.70 0.00 -1.32 0.00 0.00 175.29 174.10 3pcg n ALA 402 N -0.52 -0.37 -2.00 2.60 0.00 -1.26 -4.67 120.51 114.30 3pcg n ALA 402 Ca -0.05 -1.13 -0.05 0.00 0.00 0.00 0.00 53.44 52.20 3pcg n ALA 402 Cb 0.60 0.08 0.03 0.00 0.00 0.00 0.00 19.45 20.17 3pcg n ALA 402 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3pcg n ASN 403 N -3.21 0.22 0.31 0.00 0.23 -0.11 -4.61 115.26 108.09 3pcg n ASN 403 Ca 0.10 -1.21 0.20 0.00 -0.53 0.00 0.00 54.58 53.14 3pcg n ASN 403 Cb 0.36 -0.17 0.98 0.00 -2.08 0.00 0.00 39.78 38.87 3pcg n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcg h ALA 404 N -0.92 1.00 -0.01 -2.53 0.00 -1.78 -1.28 119.26 113.75 3pcg h ALA 404 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3pcg h ALA 404 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3pcg h ALA 404 CO 0.08 0.00 -0.49 0.41 0.00 0.00 0.00 179.25 179.25 3pcg n GLY 405 N -0.61 -0.58 0.90 0.00 0.00 -1.26 -3.48 105.19 100.16 3pcg n GLY 405 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3pcg n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcg n GLY 406 N 1.42 0.74 3.72 -0.02 0.00 -0.56 -4.78 105.19 105.70 3pcg n GLY 406 Ca 0.09 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3pcg n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcg s ARG 407 N -0.81 4.21 0.18 1.61 6.06 -1.26 -4.75 118.95 124.19 3pcg s ARG 407 Ca 0.00 -0.10 -0.06 0.00 -2.50 0.00 0.00 55.73 53.07 3pcg s ARG 407 Cb 0.00 -3.43 -0.06 0.00 0.06 0.00 0.00 34.95 31.52 3pcg s ARG 407 CO 0.00 0.26 0.43 0.71 -2.50 0.00 0.00 175.30 174.20 3pcg s TYR 408 N 0.45 3.46 -1.27 5.12 1.51 -1.26 -0.93 117.35 124.43 3pcg s TYR 408 Ca 0.11 0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 56.69 3pcg s TYR 408 Cb -0.12 -2.07 0.15 0.00 -0.11 0.00 0.00 41.96 39.81 3pcg s TYR 408 CO 0.01 0.37 1.71 -2.13 -1.11 0.00 0.00 175.55 174.40 3pcg n ARG 409 N -0.05 3.43 -3.78 -0.62 0.63 -1.26 -4.76 116.66 110.26 3pcg n ARG 409 Ca -0.02 -3.58 -0.13 0.00 -0.92 0.00 0.00 57.85 53.20 3pcg n ARG 409 Cb 0.52 -3.04 -0.11 0.00 0.45 0.00 0.00 32.46 30.28 3pcg n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pcg s HIS 410 N 1.35 -0.30 0.23 -0.14 2.46 -1.26 -5.06 115.29 112.56 3pcg s HIS 410 Ca 0.43 0.74 -0.15 0.00 0.47 0.00 0.00 55.06 56.54 3pcg s HIS 410 Cb 0.04 0.10 0.27 0.00 -0.13 0.00 0.00 32.58 32.86 3pcg s HIS 410 CO 0.00 -0.15 1.58 0.87 -2.47 0.00 0.00 174.74 174.57 3pcg h LYS 411 N 5.77 -0.04 0.00 2.88 1.57 -2.07 0.32 116.57 125.00 3pcg h LYS 411 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3pcg h LYS 411 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3pcg h LYS 411 CO 0.34 -0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.28 3pcg n ASN 412 N -5.50 0.00 -4.55 0.86 5.03 -1.26 -4.57 115.26 105.28 3pcg n ASN 412 Ca 0.10 0.30 -0.42 0.00 0.87 0.00 0.00 54.58 55.43 3pcg n ASN 412 Cb 0.40 -0.39 -0.06 0.00 -1.02 0.00 0.00 39.78 38.71 3pcg n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pcg s ASP 413 N -2.78 6.39 -0.02 6.41 2.15 0.11 -4.86 116.67 124.07 3pcg s ASP 413 Ca 0.09 -0.06 0.11 0.00 0.43 0.00 0.00 52.55 53.12 3pcg s ASP 413 Cb 0.08 -2.34 0.34 0.00 -0.30 0.00 0.00 42.92 40.70 3pcg s ASP 413 CO 0.20 -0.72 1.28 0.54 -0.17 0.00 0.00 175.17 176.30 3pcg n ARG 414 N 6.25 2.89 -1.70 4.34 5.12 -1.26 -4.88 116.66 127.41 3pcg n ARG 414 Ca -0.01 -2.16 -0.40 0.00 -1.93 0.00 0.00 57.85 53.35 3pcg n ARG 414 Cb 0.48 -1.35 0.02 0.00 -1.16 0.00 0.00 32.46 30.45 3pcg n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pcg n TYR 415 N 0.37 2.03 0.33 -1.55 9.36 -1.26 -4.87 117.16 121.57 3pcg n TYR 415 Ca 0.13 0.48 0.12 0.00 3.32 0.00 0.00 57.90 61.95 3pcg n TYR 415 Cb 0.49 -2.35 0.51 0.00 -0.63 0.00 0.00 39.34 37.37 3pcg n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3pcg n LEU 416 N -0.08 0.64 -4.73 2.98 -0.00 -1.26 -4.73 117.00 109.82 3pcg n LEU 416 Ca 0.08 0.69 -0.42 0.00 -0.00 0.00 0.00 56.01 56.36 3pcg n LEU 416 Cb 0.41 -0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 43.16 3pcg n LEU 416 CO 0.57 -0.66 0.99 0.00 -0.00 0.00 0.00 177.39 178.29 3pcg s ALA 417 N -3.38 3.53 0.93 1.47 0.00 -1.26 -4.97 121.76 118.08 3pcg s ALA 417 Ca 0.02 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 3pcg s ALA 417 Cb 0.08 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.86 3pcg s ALA 417 CO 0.34 -0.54 1.09 -1.25 0.00 0.00 0.00 175.76 175.40 3pcg s PRO 418 N 0.30 0.97 0.30 0.00 0.04 -1.26 -4.72 135.00 130.64 3pcg s PRO 418 Ca 0.59 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 3pcg s PRO 418 Cb -0.36 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3pcg s PRO 418 CO 0.35 -2.51 0.74 -0.51 0.04 0.00 0.00 177.00 175.11 3pcg s LEU 419 N -6.45 4.13 -0.35 -3.56 1.43 -1.26 -4.70 118.68 107.91 3pcg s LEU 419 Ca 0.65 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 3pcg s LEU 419 Cb -0.20 -3.97 -0.00 0.00 0.03 0.00 0.00 46.19 42.04 3pcg s LEU 419 CO 0.58 -0.15 0.48 -0.62 0.23 0.00 0.00 176.35 176.87 3pcg s ASP 420 N -2.12 6.28 0.54 2.29 -1.08 -1.26 -4.95 116.67 116.37 3pcg s ASP 420 Ca 0.52 -0.11 0.36 0.00 -0.52 0.00 0.00 52.55 52.79 3pcg s ASP 420 Cb -0.12 -2.25 1.53 0.00 -1.46 0.00 0.00 42.92 40.62 3pcg s ASP 420 CO 0.18 -0.47 1.82 -0.65 0.52 0.00 0.00 175.17 176.57 3pcg h PRO 421 N 8.48 0.01 -0.45 4.34 0.10 -1.97 -0.39 132.00 142.12 3pcg h PRO 421 Ca -0.28 -0.00 -0.07 0.00 0.10 0.00 0.00 66.00 65.75 3pcg h PRO 421 Cb 1.13 -0.00 -0.04 0.00 0.10 0.00 0.00 31.00 32.18 3pcg h PRO 421 CO 0.76 0.01 0.06 0.09 0.10 0.00 0.00 178.00 179.02 3pcg n ASN 422 N -4.20 4.37 -3.93 -2.05 4.13 -1.26 -4.96 115.26 107.35 3pcg n ASN 422 Ca 0.25 -3.13 -0.23 0.00 1.68 0.00 0.00 54.58 53.14 3pcg n ASN 422 Cb 1.20 -0.63 -0.17 0.00 -1.54 0.00 0.00 39.78 38.64 3pcg n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pcg s PHE 423 N -2.91 1.09 -0.20 3.10 5.36 -0.16 -4.15 117.98 120.11 3pcg s PHE 423 Ca 0.48 -0.39 -0.16 0.00 -0.96 0.00 0.00 56.93 55.90 3pcg s PHE 423 Cb 0.39 -0.90 -0.08 0.00 -0.34 0.00 0.00 43.02 42.10 3pcg s PHE 423 CO 0.11 -0.28 -0.33 0.41 -1.46 0.00 0.00 175.22 173.66 3pcg n GLY 424 N 4.17 -0.48 0.74 13.12 0.00 -1.26 -4.67 105.19 116.81 3pcg n GLY 424 Ca -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3pcg n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcg n GLY 425 N 1.49 1.33 3.13 -0.02 0.00 -1.26 -4.49 105.19 105.36 3pcg n GLY 425 Ca -0.27 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3pcg n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcg s VAL 426 N -2.05 1.42 0.10 1.61 1.01 -1.26 -2.03 120.40 119.20 3pcg s VAL 426 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3pcg s VAL 426 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3pcg s VAL 426 CO 0.00 0.41 0.15 -0.83 0.00 0.00 0.00 175.10 174.83 3pcg s GLY 427 N 0.11 0.34 -0.08 4.51 0.00 -0.68 -4.81 107.32 106.70 3pcg s GLY 427 Ca -0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 43.58 3pcg s GLY 427 CO 0.03 -0.97 0.50 1.09 0.00 0.00 0.00 173.10 173.75 3pcg s ARG 428 N -3.91 0.78 -0.22 2.90 1.70 -0.79 -0.67 118.95 118.74 3pcg s ARG 428 Ca 0.10 0.25 -0.19 0.00 -0.47 0.00 0.00 55.73 55.41 3pcg s ARG 428 Cb 0.05 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 3pcg s ARG 428 CO -0.07 -0.20 0.58 0.00 -1.08 0.00 0.00 175.30 174.53 3pcg s LEU 430 N 0.44 4.21 0.59 0.00 2.96 -1.26 -1.38 118.68 124.24 3pcg s LEU 430 Ca -0.01 0.52 -0.18 0.00 -0.22 0.00 0.00 54.13 54.23 3pcg s LEU 430 Cb -0.04 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 3pcg s LEU 430 CO -0.01 0.04 1.18 0.42 -1.32 0.00 0.00 176.35 176.66 3pcg s THR 431 N 0.75 2.81 0.85 3.68 -4.23 0.19 -4.86 115.64 114.83 3pcg s THR 431 Ca 0.18 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 3pcg s THR 431 Cb -0.14 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.74 3pcg s THR 431 CO 0.06 -0.13 1.14 -0.90 -0.54 0.00 0.00 174.62 174.25 3pcg n ASP 432 N -1.64 0.00 0.19 3.99 5.68 0.00 -0.92 116.55 123.85 3pcg n ASP 432 Ca 0.13 -1.40 0.18 0.00 -0.50 0.00 0.00 54.79 53.20 3pcg n ASP 432 Cb 0.50 -0.87 0.81 0.00 -1.14 0.00 0.00 41.12 40.42 3pcg n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pcg h SER 433 N -1.55 0.00 -0.61 -1.12 0.02 -1.95 0.42 113.55 108.77 3pcg h SER 433 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3pcg h SER 433 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3pcg h SER 433 CO 0.26 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.42 3pcg n ASP 434 N -3.57 3.83 0.00 3.07 8.00 -1.26 -4.62 116.55 122.00 3pcg n ASP 434 Ca 0.03 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.42 3pcg n ASP 434 Cb 0.44 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3pcg n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcg n GLY 435 N 1.20 0.65 3.87 0.44 0.00 0.13 -4.77 105.19 106.72 3pcg n GLY 435 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3pcg n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pcg s TYR 436 N -2.42 3.42 0.10 1.61 2.02 -1.26 -0.29 117.35 120.53 3pcg s TYR 436 Ca 0.00 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.67 3pcg s TYR 436 Cb 0.00 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 3pcg s TYR 436 CO 0.00 0.13 0.02 1.52 -1.57 0.00 0.00 175.55 175.65 3pcg s TYR 437 N -2.02 0.71 -0.12 2.71 1.13 -0.44 -0.82 117.35 118.50 3pcg s TYR 437 Ca 0.50 -1.16 -0.29 0.00 -1.41 0.00 0.00 57.07 54.71 3pcg s TYR 437 Cb -0.11 -0.44 0.08 0.00 -1.10 0.00 0.00 41.96 40.40 3pcg s TYR 437 CO 0.23 -0.46 0.74 -1.54 -2.51 0.00 0.00 175.55 172.01 3pcg s SER 438 N -2.99 -0.63 0.08 -0.18 1.04 -1.26 -2.17 113.70 107.58 3pcg s SER 438 Ca 0.17 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.44 3pcg s SER 438 Cb 0.08 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3pcg s SER 438 CO -0.03 -0.48 -0.06 -0.36 0.98 0.00 0.00 173.24 173.29 3pcg s PHE 439 N -0.81 0.75 -0.08 5.02 0.08 0.72 -4.88 117.98 118.78 3pcg s PHE 439 Ca -0.07 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.11 3pcg s PHE 439 Cb -0.01 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 3pcg s PHE 439 CO 0.06 -0.19 -0.06 0.50 -0.10 0.00 0.00 175.22 175.44 3pcg s ARG 440 N -3.40 1.17 0.00 0.44 3.52 -0.98 -0.77 118.95 118.92 3pcg s ARG 440 Ca 0.06 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 3pcg s ARG 440 Cb 0.03 -1.25 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 3pcg s ARG 440 CO -0.05 -0.20 0.00 -2.37 -0.81 0.00 0.00 175.30 171.87 3pcg n THR 441 N 4.65 0.00 -4.35 4.11 5.66 0.43 0.36 114.28 125.15 3pcg n THR 441 Ca -0.15 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.57 3pcg n THR 441 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 3pcg n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pcg s ILE 442 N -2.51 2.72 0.07 1.09 -4.36 -1.26 -0.19 121.20 116.76 3pcg s ILE 442 Ca 0.00 -1.73 -0.31 0.00 -0.26 0.00 0.00 60.65 58.35 3pcg s ILE 442 Cb 0.00 -2.29 -0.07 0.00 1.25 0.00 0.00 42.46 41.35 3pcg s ILE 442 CO 0.00 -0.02 1.38 -0.75 0.24 0.00 0.00 174.94 175.79 3pcg s LYS 443 N -2.48 4.32 0.56 0.37 2.20 -0.27 -4.91 119.74 119.53 3pcg s LYS 443 Ca 0.20 2.02 -0.17 0.00 -0.36 0.00 0.00 55.97 57.66 3pcg s LYS 443 Cb -0.09 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3pcg s LYS 443 CO 0.11 -0.46 1.05 -1.25 -0.36 0.00 0.00 175.35 174.43 3pcg s PRO 444 N 1.52 3.50 0.18 4.03 0.04 -1.26 -4.30 135.00 138.71 3pcg s PRO 444 Ca 0.64 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 3pcg s PRO 444 Cb -0.35 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 3pcg s PRO 444 CO 0.29 -0.67 0.45 0.20 0.04 0.00 0.00 177.00 177.31 3pcg s GLY 445 N -2.61 2.23 1.02 0.56 0.00 -0.72 -4.70 107.32 103.09 3pcg s GLY 445 Ca 0.64 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 44.79 3pcg s GLY 445 CO 0.32 -0.35 1.08 2.56 0.00 0.00 0.00 173.10 176.71 3pcg s PRO 446 N -2.77 0.21 -0.02 2.90 0.04 -1.26 -4.04 135.00 130.05 3pcg s PRO 446 Ca 0.44 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 3pcg s PRO 446 Cb -0.12 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.78 3pcg s PRO 446 CO 0.24 -3.03 0.31 1.52 0.04 0.00 0.00 177.00 176.07 3pcg s TYR 447 N -2.63 -0.19 0.44 0.56 -0.85 -1.03 -4.25 117.35 109.40 3pcg s TYR 447 Ca 0.67 0.30 -0.14 0.00 -0.52 0.00 0.00 57.07 57.39 3pcg s TYR 447 Cb -0.23 0.10 -0.07 0.00 0.38 0.00 0.00 41.96 42.14 3pcg s TYR 447 CO 0.61 -0.37 0.85 -1.25 -1.52 0.00 0.00 175.55 173.86 3pcg s PRO 448 N -1.22 3.88 0.08 -3.49 0.04 -1.26 0.74 135.00 133.76 3pcg s PRO 448 Ca -0.13 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 3pcg s PRO 448 Cb -0.05 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3pcg s PRO 448 CO 0.04 -0.10 0.22 1.67 0.04 0.00 0.00 177.00 178.87 3pcg s TRP 449 N -2.42 0.07 -0.94 0.56 1.48 -0.99 -4.87 118.94 111.83 3pcg s TRP 449 Ca 0.55 -0.42 -0.19 0.00 -1.06 0.00 0.00 56.10 54.97 3pcg s TRP 449 Cb -0.10 -0.01 0.12 0.00 -1.16 0.00 0.00 33.47 32.32 3pcg s TRP 449 CO 0.29 -0.53 1.16 1.03 -4.06 0.00 0.00 176.95 174.85 3pcg s ARG 450 N -3.47 3.61 0.00 3.25 0.52 -1.26 -4.35 118.95 117.25 3pcg s ARG 450 Ca 0.02 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.52 3pcg s ARG 450 Cb 0.03 -4.97 0.00 0.00 0.52 0.00 0.00 34.95 30.53 3pcg s ARG 450 CO -0.09 -1.82 0.00 -1.71 0.02 0.00 0.00 175.30 171.70 3pcg n ASN 451 N 6.77 0.00 -4.50 0.23 5.15 -1.26 -5.03 115.26 116.63 3pcg n ASN 451 Ca 0.25 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.94 3pcg n ASN 451 Cb 0.49 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.88 3pcg n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pcg s GLY 452 N -0.41 1.71 0.00 8.20 0.00 -1.26 -4.94 107.32 110.62 3pcg s GLY 452 Ca 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 44.72 43.80 3pcg s GLY 452 CO 0.00 -0.41 1.35 -1.05 0.00 0.00 0.00 173.10 172.99 3pcg n PRO 453 N -3.47 0.07 -2.82 2.90 -0.02 -1.26 -3.92 135.00 126.47 3pcg n PRO 453 Ca 0.12 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3pcg n PRO 453 Cb 0.60 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.65 3pcg n PRO 453 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3pcg n ASN 454 N -1.42 -1.64 -4.88 2.55 5.15 -1.26 -5.12 115.26 108.65 3pcg n ASN 454 Ca 0.04 -3.52 -0.35 0.00 -0.60 0.00 0.00 54.58 50.15 3pcg n ASN 454 Cb 0.12 1.35 -0.05 0.00 -0.53 0.00 0.00 39.78 40.67 3pcg n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pcg s ASP 455 N -1.53 6.51 -0.02 1.20 1.01 -1.25 -5.07 116.67 117.52 3pcg s ASP 455 Ca 0.26 0.59 0.00 0.00 0.71 0.00 0.00 52.55 54.11 3pcg s ASP 455 Cb 0.31 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 42.15 3pcg s ASP 455 CO -0.06 0.29 -0.00 0.26 0.21 0.00 0.00 175.17 175.87 3pcg s TRP 456 N -1.22 0.28 0.12 4.23 0.52 -1.26 -2.34 118.94 119.26 3pcg s TRP 456 Ca 0.25 0.00 -0.30 0.00 0.02 0.00 0.00 56.10 56.07 3pcg s TRP 456 Cb -0.13 -0.35 -0.06 0.00 -1.15 0.00 0.00 33.47 31.77 3pcg s TRP 456 CO 0.13 -0.11 1.00 1.03 0.02 0.00 0.00 176.95 179.03 3pcg s ARG 457 N 0.85 4.66 0.54 4.98 1.81 0.23 -4.74 118.95 127.28 3pcg s ARG 457 Ca -0.08 1.52 -0.20 0.00 -1.72 0.00 0.00 55.73 55.25 3pcg s ARG 457 Cb -0.12 -3.36 -0.06 0.00 -0.45 0.00 0.00 34.95 30.97 3pcg s ARG 457 CO -0.02 0.16 1.15 -2.14 -0.68 0.00 0.00 175.30 173.77 3pcg s PRO 458 N -0.00 3.32 0.24 3.54 0.02 -1.26 -2.46 135.00 138.39 3pcg s PRO 458 Ca 0.48 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 3pcg s PRO 458 Cb -0.25 -2.04 -0.15 0.00 0.02 0.00 0.00 34.50 32.09 3pcg s PRO 458 CO 0.31 -0.89 1.13 0.00 -0.33 0.00 0.00 177.00 177.22 3pcg n ALA 459 N -1.26 -0.24 -3.13 -1.55 0.00 -1.26 -4.79 120.51 108.28 3pcg n ALA 459 Ca 0.12 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 3pcg n ALA 459 Cb 0.50 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.85 3pcg n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pcg s HIS 460 N -0.57 -0.18 -0.05 0.00 -3.43 -1.26 -4.14 115.29 105.66 3pcg s HIS 460 Ca 0.66 -0.14 0.06 0.00 -0.80 0.00 0.00 55.06 54.84 3pcg s HIS 460 Cb -0.75 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 30.70 3pcg s HIS 460 CO 0.55 -0.79 -0.24 0.42 -2.00 0.00 0.00 174.74 172.69 3pcg s ILE 461 N -3.83 2.18 0.05 -5.38 1.01 -0.25 -4.65 121.20 110.33 3pcg s ILE 461 Ca 0.05 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 3pcg s ILE 461 Cb 0.01 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 3pcg s ILE 461 CO -0.08 0.57 0.61 -1.00 0.00 0.00 0.00 174.94 175.04 3pcg s HIS 462 N -0.27 3.77 0.04 3.97 3.76 0.10 -0.81 115.29 125.85 3pcg s HIS 462 Ca -0.00 1.29 0.05 0.00 -0.15 0.00 0.00 55.06 56.25 3pcg s HIS 462 Cb -0.13 -2.59 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 3pcg s HIS 462 CO 0.03 0.47 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.19 3pcg s PHE 463 N -0.69 1.19 -0.04 1.40 0.40 -0.44 -2.28 117.98 117.52 3pcg s PHE 463 Ca 0.31 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 3pcg s PHE 463 Cb -0.19 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.65 3pcg s PHE 463 CO 0.19 0.03 -0.07 0.20 0.70 0.00 0.00 175.22 176.28 3pcg s GLY 464 N -1.20 0.50 -0.05 4.36 0.00 -0.76 0.45 107.32 110.63 3pcg s GLY 464 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.56 3pcg s GLY 464 CO 0.01 0.22 -0.05 -0.42 0.00 0.00 0.00 173.10 172.86 3pcg s ILE 465 N 0.62 0.59 -0.07 0.90 1.09 0.10 -1.53 121.20 122.91 3pcg s ILE 465 Ca -0.09 -0.15 -0.07 0.00 -1.10 0.00 0.00 60.65 59.24 3pcg s ILE 465 Cb -0.12 -0.61 -0.04 0.00 -1.06 0.00 0.00 42.46 40.62 3pcg s ILE 465 CO 0.01 0.24 0.28 0.77 -0.10 0.00 0.00 174.94 176.14 3pcg h SER 466 N 7.24 -0.20 -4.09 3.58 4.64 -1.50 -1.49 113.55 121.73 3pcg h SER 466 Ca -0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3pcg h SER 466 Cb 1.15 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3pcg h SER 466 CO 0.46 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3pcg n GLY 467 N 1.19 -2.11 0.02 -0.77 0.00 -1.26 -2.60 105.19 99.65 3pcg n GLY 467 Ca -0.03 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.63 3pcg n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pcg n PRO 468 N -0.09 0.05 -3.97 1.61 -0.04 -1.26 -4.88 135.00 126.40 3pcg n PRO 468 Ca 0.00 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 3pcg n PRO 468 Cb 0.00 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 3pcg n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pcg s SER 469 N -3.27 -0.12 0.23 3.54 1.04 -1.26 -3.54 113.70 110.30 3pcg s SER 469 Ca 0.13 -0.87 0.24 0.00 0.48 0.00 0.00 55.95 55.93 3pcg s SER 469 Cb 0.17 0.61 0.92 0.00 0.10 0.00 0.00 66.02 67.82 3pcg s SER 469 CO 0.51 -1.18 1.73 2.30 0.98 0.00 0.00 173.24 177.58 3pcg n ILE 470 N -0.40 0.75 0.21 -1.02 -5.35 -0.49 -1.85 119.36 111.21 3pcg n ILE 470 Ca -0.02 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.61 3pcg n ILE 470 Cb 0.61 -0.97 0.41 0.00 -1.74 0.00 0.00 39.64 37.95 3pcg n ILE 470 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pcg h ALA 471 N 2.37 1.02 0.00 -1.28 0.00 -1.79 -3.20 119.26 116.38 3pcg h ALA 471 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3pcg h ALA 471 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3pcg h ALA 471 CO 0.00 0.36 -1.29 0.25 0.00 0.00 0.00 179.25 178.58 3pcg n THR 472 N -3.47 0.07 -1.66 0.00 -2.24 -0.77 -4.91 114.28 101.29 3pcg n THR 472 Ca -0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 3pcg n THR 472 Cb 0.46 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3pcg n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pcg n LYS 473 N -1.90 1.87 -3.68 -0.78 3.00 -1.07 -4.75 118.16 110.84 3pcg n LYS 473 Ca 0.01 0.66 -0.15 0.00 -0.00 0.00 0.00 58.31 58.83 3pcg n LYS 473 Cb 0.44 -2.18 -0.08 0.00 0.00 0.00 0.00 35.03 33.21 3pcg n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pcg s LEU 474 N -0.47 0.21 -0.02 3.14 2.96 -0.56 -5.01 118.68 118.94 3pcg s LEU 474 Ca 0.57 0.54 0.06 0.00 -0.22 0.00 0.00 54.13 55.08 3pcg s LEU 474 Cb -0.62 1.75 -0.02 0.00 0.50 0.00 0.00 46.19 47.80 3pcg s LEU 474 CO 0.61 -0.41 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.39 3pcg s ILE 475 N -0.81 1.62 0.00 6.68 1.01 -1.26 0.02 121.20 128.46 3pcg s ILE 475 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3pcg s ILE 475 Cb -0.03 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3pcg s ILE 475 CO 0.05 0.46 0.00 1.07 0.00 0.00 0.00 174.94 176.52 3pcg n THR 476 N 2.58 0.00 -3.83 2.92 5.66 0.17 -4.98 114.28 116.80 3pcg n THR 476 Ca -0.15 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.71 3pcg n THR 476 Cb 0.53 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.16 3pcg n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pcg s GLN 477 N -1.98 0.01 -0.13 1.09 -0.21 -1.26 -1.33 119.66 115.85 3pcg s GLN 477 Ca 0.00 0.10 -0.11 0.00 0.02 0.00 0.00 55.36 55.37 3pcg s GLN 477 Cb 0.00 -0.17 -0.05 0.00 1.00 0.00 0.00 33.01 33.80 3pcg s GLN 477 CO 0.00 -0.09 0.21 -1.17 -2.12 0.00 0.00 175.29 172.12 3pcg s LEU 478 N 0.61 4.32 0.33 2.90 0.20 0.01 -4.83 118.68 122.21 3pcg s LEU 478 Ca -0.05 0.49 0.09 0.00 0.69 0.00 0.00 54.13 55.35 3pcg s LEU 478 Cb -0.07 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.41 3pcg s LEU 478 CO -0.02 0.26 0.03 -0.31 -0.29 0.00 0.00 176.35 176.02 3pcg s TYR 479 N -0.30 2.60 -0.15 5.38 2.02 0.13 -1.09 117.35 125.94 3pcg s TYR 479 Ca 0.15 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.40 3pcg s TYR 479 Cb -0.13 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3pcg s TYR 479 CO 0.04 0.48 0.08 -0.06 -1.57 0.00 0.00 175.55 174.52 3pcg s PHE 480 N -2.46 3.36 0.09 2.71 0.40 -1.26 0.36 117.98 121.17 3pcg s PHE 480 Ca 0.35 0.26 -0.36 0.00 -0.60 0.00 0.00 56.93 56.57 3pcg s PHE 480 Cb -0.02 -2.01 -0.16 0.00 0.51 0.00 0.00 43.02 41.34 3pcg s PHE 480 CO 0.20 0.38 1.38 -1.91 0.70 0.00 0.00 175.22 175.97 3pcg n GLU 481 N 2.91 1.29 -0.62 0.44 2.13 -0.10 -1.38 120.64 125.32 3pcg n GLU 481 Ca -0.18 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.11 3pcg n GLU 481 Cb 0.53 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.11 3pcg n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcg n GLY 482 N 2.67 1.58 3.66 8.31 0.00 -1.26 -4.98 105.19 115.17 3pcg n GLY 482 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3pcg n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pcg s ASP 483 N -3.29 6.42 0.29 1.61 -1.08 -0.48 -4.85 116.67 115.29 3pcg s ASP 483 Ca 0.00 2.66 0.22 0.00 -0.52 0.00 0.00 52.55 54.92 3pcg s ASP 483 Cb 0.00 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 40.01 3pcg s ASP 483 CO 0.00 -1.08 1.68 -0.81 0.52 0.00 0.00 175.17 175.48 3pcg n PRO 484 N 7.58 0.17 0.19 4.34 -0.04 -1.26 -2.71 135.00 143.27 3pcg n PRO 484 Ca 0.20 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 3pcg n PRO 484 Cb 0.41 -1.92 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 3pcg n PRO 484 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3pcg h LEU 485 N 0.00 0.00 -0.06 1.53 3.38 -1.96 -3.38 115.31 114.83 3pcg h LEU 485 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3pcg h LEU 485 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3pcg h LEU 485 CO 0.00 0.00 -0.06 0.40 0.09 0.00 0.00 178.44 178.87 3pcg h ILE 486 N 0.00 0.84 0.00 1.22 2.04 -1.89 -2.52 117.51 117.19 3pcg h ILE 486 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcg h ILE 486 Cb 0.88 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3pcg h ILE 486 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 3pcg n PRO 487 N -5.18 0.13 -0.00 2.37 -0.05 -1.26 -3.02 135.00 127.98 3pcg n PRO 487 Ca -0.05 0.48 0.10 0.00 -0.05 0.00 0.00 63.50 63.98 3pcg n PRO 487 Cb 0.11 -1.80 -0.14 0.00 -0.05 0.00 0.00 33.50 31.62 3pcg n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 3pcg n MET 488 N -2.05 0.25 -2.51 0.54 2.81 -0.96 -4.95 117.12 110.24 3pcg n MET 488 Ca 0.01 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 3pcg n MET 488 Cb 0.13 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 3pcg n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pcg h PRO 490 N 8.27 0.00 -0.02 0.00 0.11 -1.90 0.27 132.00 138.73 3pcg h PRO 490 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 3pcg h PRO 490 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3pcg h PRO 490 CO 1.00 0.02 -0.35 0.82 -0.21 0.00 0.00 178.00 179.28 3pcg h ILE 491 N 0.00 1.48 -0.10 4.15 2.04 -1.92 -2.28 117.51 120.87 3pcg h ILE 491 Ca -0.00 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 63.98 3pcg h ILE 491 Cb 0.04 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3pcg h ILE 491 CO 0.00 0.53 -0.02 0.58 0.00 0.00 0.00 178.15 179.25 3pcg h VAL 492 N -0.31 0.91 0.00 1.67 2.07 -1.56 -0.35 116.25 118.68 3pcg h VAL 492 Ca -0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3pcg h VAL 492 Cb 1.06 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3pcg h VAL 492 CO 0.07 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.95 3pcg n LYS 493 N -5.13 0.03 0.19 1.57 5.02 0.83 -1.26 118.16 119.41 3pcg n LYS 493 Ca -0.05 0.26 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 3pcg n LYS 493 Cb 0.07 -1.50 0.64 0.00 -0.02 0.00 0.00 35.03 34.23 3pcg n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pcg h SER 494 N 0.00 0.00 -3.60 4.39 4.64 -0.44 -3.37 113.55 115.17 3pcg h SER 494 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 3pcg h SER 494 Cb 0.02 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.94 3pcg h SER 494 CO 0.00 0.00 -0.16 -0.63 -0.87 0.00 0.00 176.83 175.17 3pcg s ILE 495 N -3.55 5.07 0.27 0.95 1.01 -0.39 -3.56 121.20 121.01 3pcg s ILE 495 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.71 3pcg s ILE 495 Cb 0.09 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.65 3pcg s ILE 495 CO 0.35 -0.27 1.70 0.00 0.00 0.00 0.00 174.94 176.72 3pcg h ALA 496 N 8.57 1.06 -2.57 9.38 0.00 -1.85 -3.43 119.26 130.42 3pcg h ALA 496 Ca -0.28 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 3pcg h ALA 496 Cb 1.12 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 3pcg h ALA 496 CO 0.76 0.58 0.07 1.21 0.00 0.00 0.00 179.25 181.87 3pcg s ASN 497 N -6.83 6.57 0.50 0.00 3.04 -1.26 -4.94 114.94 112.01 3pcg s ASN 497 Ca -0.06 0.69 0.17 0.00 0.04 0.00 0.00 52.86 53.70 3pcg s ASN 497 Cb 0.13 -2.32 1.22 0.00 -1.54 0.00 0.00 41.25 38.74 3pcg s ASN 497 CO 0.79 -0.29 2.06 1.55 -3.04 0.00 0.00 177.10 178.17 3pcg h PRO 498 N 7.74 0.13 -0.16 0.43 0.13 -2.00 -0.92 132.00 137.36 3pcg h PRO 498 Ca -0.30 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 3pcg h PRO 498 Cb 1.14 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3pcg h PRO 498 CO 0.75 0.09 -0.25 0.93 -0.23 0.00 0.00 178.00 179.29 3pcg h GLU 499 N 0.14 0.29 -0.15 0.86 3.07 -1.97 -2.89 114.58 113.92 3pcg h GLU 499 Ca 0.14 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 3pcg h GLU 499 Cb 0.39 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3pcg h GLU 499 CO -0.02 0.52 -0.55 0.00 -1.40 0.00 0.00 179.01 177.56 3pcg h ALA 500 N 1.49 0.77 -0.74 3.43 0.00 -1.52 -3.07 119.26 119.61 3pcg h ALA 500 Ca 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3pcg h ALA 500 Cb 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3pcg h ALA 500 CO 0.04 0.69 0.34 0.28 0.00 0.00 0.00 179.25 180.60 3pcg h VAL 501 N 0.35 1.24 -0.62 0.00 2.07 -1.34 -2.24 116.25 115.71 3pcg h VAL 501 Ca 0.01 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.95 3pcg h VAL 501 Cb 1.07 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3pcg h VAL 501 CO 0.10 0.29 0.42 1.56 0.02 0.00 0.00 177.57 179.96 3pcg h GLN 502 N 1.04 0.30 0.00 1.57 1.08 -1.42 0.16 115.11 117.84 3pcg h GLN 502 Ca 0.25 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 3pcg h GLN 502 Cb 0.14 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3pcg h GLN 502 CO -0.03 0.20 -0.04 0.37 -0.95 0.00 0.00 178.83 178.38 3pcg h GLN 503 N 0.31 0.00 -0.16 1.46 4.15 -1.43 -2.49 115.11 116.95 3pcg h GLN 503 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3pcg h GLN 503 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3pcg h GLN 503 CO -0.07 0.04 0.00 1.28 -1.93 0.00 0.00 178.83 178.15 3pcg n LEU 504 N -3.26 2.48 -4.57 -2.39 4.77 0.04 -4.89 117.00 109.18 3pcg n LEU 504 Ca -0.01 -0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 54.61 3pcg n LEU 504 Cb 0.21 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3pcg n LEU 504 CO 0.26 0.48 0.08 -0.63 -1.33 0.00 0.00 177.39 176.25 3pcg s ILE 505 N -1.80 5.14 0.14 -0.08 1.01 -0.94 -0.69 121.20 123.98 3pcg s ILE 505 Ca 0.34 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 3pcg s ILE 505 Cb 0.20 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 3pcg s ILE 505 CO 0.30 -0.03 1.16 0.00 0.00 0.00 0.00 174.94 176.36 3pcg s ALA 506 N 2.11 3.39 -0.04 9.38 0.00 0.16 -4.81 121.76 131.95 3pcg s ALA 506 Ca 0.14 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 3pcg s ALA 506 Cb -0.16 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3pcg s ALA 506 CO 0.11 -0.33 0.27 0.15 0.00 0.00 0.00 175.76 175.97 3pcg s LYS 507 N 0.16 3.65 0.22 0.00 -0.14 -0.80 -0.92 119.74 121.90 3pcg s LYS 507 Ca 0.53 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.93 3pcg s LYS 507 Cb -0.30 -3.17 -0.10 0.00 -1.68 0.00 0.00 37.83 32.58 3pcg s LYS 507 CO 0.33 0.71 1.48 -1.17 -0.76 0.00 0.00 175.35 175.94 3pcg s LEU 508 N -1.24 4.38 -0.51 3.17 2.96 -1.26 -0.00 118.68 126.17 3pcg s LEU 508 Ca 0.21 2.65 0.03 0.00 -0.22 0.00 0.00 54.13 56.81 3pcg s LEU 508 Cb -0.14 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.08 3pcg s LEU 508 CO 0.10 -0.74 0.30 -0.62 -1.32 0.00 0.00 176.35 174.07 3pcg s ASP 509 N 0.62 4.00 0.56 3.68 2.15 0.17 -4.83 116.67 123.02 3pcg s ASP 509 Ca 0.63 -3.01 0.30 0.00 0.43 0.00 0.00 52.55 50.89 3pcg s ASP 509 Cb -0.42 -1.35 1.65 0.00 -0.30 0.00 0.00 42.92 42.50 3pcg s ASP 509 CO 0.39 -0.22 2.16 0.24 -0.17 0.00 0.00 175.17 177.58 3pcg h MET 510 N 6.36 0.00 -0.25 4.34 2.86 -1.93 -2.71 114.93 123.60 3pcg h MET 510 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3pcg h MET 510 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3pcg h MET 510 CO 0.60 0.07 -0.07 -0.91 1.06 0.00 0.00 176.91 177.65 3pcg h ASN 511 N 0.00 0.37 0.15 1.22 2.35 -1.94 -3.06 115.58 114.67 3pcg h ASN 511 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3pcg h ASN 511 Cb 0.20 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3pcg h ASN 511 CO 0.01 0.49 -0.61 -3.20 -1.65 0.00 0.00 177.43 172.46 3pcg n ASN 512 N -4.27 1.16 -4.77 5.81 5.15 -1.03 -4.97 115.26 112.35 3pcg n ASN 512 Ca 0.00 -0.95 -0.32 0.00 -0.60 0.00 0.00 54.58 52.72 3pcg n ASN 512 Cb 0.26 0.54 0.07 0.00 -0.53 0.00 0.00 39.78 40.12 3pcg n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pcg s ALA 513 N -2.77 2.37 -0.41 5.20 0.00 -1.16 -4.81 121.76 120.18 3pcg s ALA 513 Ca 0.14 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 3pcg s ALA 513 Cb 0.17 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.08 3pcg s ALA 513 CO 0.69 -1.55 0.27 -0.80 0.00 0.00 0.00 175.76 174.37 3pcg s ASN 514 N -3.17 5.75 0.29 0.00 0.01 -0.48 -5.01 114.94 112.33 3pcg s ASN 514 Ca 0.63 -1.32 -0.27 0.00 -0.71 0.00 0.00 52.86 51.19 3pcg s ASN 514 Cb -0.18 -2.03 -0.15 0.00 0.41 0.00 0.00 41.25 39.31 3pcg s ASN 514 CO 0.51 -0.51 0.72 -2.65 -1.51 0.00 0.00 177.10 173.66 3pcg n PRO 515 N 4.99 0.70 -1.36 -0.60 -0.02 -1.26 -0.76 135.00 136.69 3pcg n PRO 515 Ca -0.11 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.48 3pcg n PRO 515 Cb 0.44 -1.47 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 3pcg n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcg n MET 516 N 0.79 -1.46 0.01 -0.52 2.81 -1.26 -4.69 117.12 112.80 3pcg n MET 516 Ca 0.13 0.87 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 3pcg n MET 516 Cb 0.32 -5.12 0.00 0.00 -0.71 0.00 0.00 33.22 27.70 3pcg n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pcg n ASP 517 N -0.72 0.03 -3.75 7.83 -0.08 0.06 -5.15 116.55 114.78 3pcg n ASP 517 Ca -0.14 0.02 -0.12 0.00 -1.51 0.00 0.00 54.79 53.04 3pcg n ASP 517 Cb 0.51 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.90 3pcg n ASP 517 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3pcg s LEU 519 N -1.93 2.89 -0.04 0.00 1.43 -0.79 -1.38 118.68 118.87 3pcg s LEU 519 Ca -0.06 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3pcg s LEU 519 Cb -0.02 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3pcg s LEU 519 CO -0.02 -2.17 0.30 0.00 0.23 0.00 0.00 176.35 174.70 3pcg s ALA 520 N -3.37 -0.76 0.04 4.21 0.00 -1.26 -1.07 121.76 119.54 3pcg s ALA 520 Ca 0.69 0.45 0.06 0.00 0.00 0.00 0.00 51.96 53.16 3pcg s ALA 520 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3pcg s ALA 520 CO 0.47 -0.23 -0.18 0.71 0.00 0.00 0.00 175.76 176.53 3pcg s TYR 521 N -0.96 1.55 -0.17 0.00 2.02 0.41 0.42 117.35 120.62 3pcg s TYR 521 Ca -0.10 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3pcg s TYR 521 Cb -0.05 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3pcg s TYR 521 CO 0.03 0.06 -0.05 0.50 -1.57 0.00 0.00 175.55 174.52 3pcg s ARG 522 N -1.13 3.51 -0.19 -0.62 6.06 0.99 -1.86 118.95 125.72 3pcg s ARG 522 Ca 0.05 -0.59 -0.04 0.00 -2.50 0.00 0.00 55.73 52.65 3pcg s ARG 522 Cb -0.08 -2.90 0.06 0.00 0.06 0.00 0.00 34.95 32.09 3pcg s ARG 522 CO 0.01 0.08 0.07 0.12 -2.50 0.00 0.00 175.30 173.08 3pcg s PHE 523 N 0.77 0.53 0.03 5.12 5.36 0.86 -1.91 117.98 128.73 3pcg s PHE 523 Ca -0.02 -0.57 -0.08 0.00 -0.96 0.00 0.00 56.93 55.30 3pcg s PHE 523 Cb -0.15 -0.84 -0.05 0.00 -0.34 0.00 0.00 43.02 41.64 3pcg s PHE 523 CO 0.02 -0.57 0.32 -0.51 -1.46 0.00 0.00 175.22 173.02 3pcg s ASP 524 N 2.03 6.57 -0.11 6.13 1.01 -1.26 -3.96 116.67 127.08 3pcg s ASP 524 Ca 0.02 0.67 0.02 0.00 0.71 0.00 0.00 52.55 53.97 3pcg s ASP 524 Cb -0.16 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 3pcg s ASP 524 CO -0.11 0.24 -0.16 -0.63 0.21 0.00 0.00 175.17 174.72 3pcg s ILE 525 N -1.31 2.79 -0.20 0.77 1.01 -0.06 -4.96 121.20 119.25 3pcg s ILE 525 Ca 0.29 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 3pcg s ILE 525 Cb -0.14 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3pcg s ILE 525 CO 0.16 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.81 3pcg s VAL 526 N 0.14 2.41 0.23 2.92 1.01 -1.26 -1.04 120.40 124.80 3pcg s VAL 526 Ca -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3pcg s VAL 526 Cb -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3pcg s VAL 526 CO 0.05 0.42 0.25 -0.76 0.00 0.00 0.00 175.10 175.06 3pcg s LEU 527 N 1.31 4.04 0.12 3.92 1.43 -0.39 -4.93 118.68 124.18 3pcg s LEU 527 Ca 0.03 -0.09 -0.34 0.00 -1.03 0.00 0.00 54.13 52.71 3pcg s LEU 527 Cb -0.14 -2.58 -0.17 0.00 0.03 0.00 0.00 46.19 43.32 3pcg s LEU 527 CO -0.09 -0.03 0.96 0.54 0.23 0.00 0.00 176.35 177.96 3pcg n ARG 528 N -1.09 0.48 -1.97 1.70 1.74 -1.26 -1.55 116.66 114.70 3pcg n ARG 528 Ca -0.08 0.17 -0.40 0.00 -0.77 0.00 0.00 57.85 56.77 3pcg n ARG 528 Cb 0.57 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3pcg n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pcg s GLY 529 N -0.26 2.93 -0.16 -0.13 0.00 -1.26 -4.38 107.32 104.05 3pcg s GLY 529 Ca 0.77 1.33 -0.02 0.00 0.00 0.00 0.00 44.72 46.79 3pcg s GLY 529 CO 0.55 1.93 -0.08 1.62 0.00 0.00 0.00 173.10 177.12 3pcg s GLN 530 N -2.26 3.48 0.14 2.90 0.74 -1.26 -1.36 119.66 122.04 3pcg s GLN 530 Ca 0.57 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.37 3pcg s GLN 530 Cb -0.40 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 3pcg s GLN 530 CO 0.52 0.12 0.02 -0.98 -0.55 0.00 0.00 175.29 174.42 3pcg s ARG 531 N 0.64 0.97 0.46 1.67 1.70 -0.29 -4.98 118.95 119.12 3pcg s ARG 531 Ca -0.04 -1.46 -0.17 0.00 -0.47 0.00 0.00 55.73 53.59 3pcg s ARG 531 Cb -0.15 -0.02 -0.09 0.00 -0.57 0.00 0.00 34.95 34.12 3pcg s ARG 531 CO 0.03 -0.17 0.93 -1.59 -1.08 0.00 0.00 175.30 173.41 3pcg s LYS 532 N -3.96 4.03 0.85 3.89 -2.85 -1.26 -0.41 119.74 120.03 3pcg s LYS 532 Ca 0.22 0.93 -0.11 0.00 -1.00 0.00 0.00 55.97 56.01 3pcg s LYS 532 Cb 0.07 -2.21 0.10 0.00 -2.06 0.00 0.00 37.83 33.73 3pcg s LYS 532 CO 0.01 -0.12 1.10 0.95 0.10 0.00 0.00 175.35 177.39 3pcg s THR 533 N -2.39 2.87 -0.24 3.79 -4.23 -1.21 -4.72 115.64 109.51 3pcg s THR 533 Ca 0.59 0.28 -0.26 0.00 -1.18 0.00 0.00 61.69 61.12 3pcg s THR 533 Cb -0.10 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.12 3pcg s THR 533 CO 0.24 -0.37 0.72 -1.38 -0.54 0.00 0.00 174.62 173.29 3pcg s HIS 534 N -2.86 -0.76 -1.78 3.99 -3.43 -1.26 -4.96 115.29 104.22 3pcg s HIS 534 Ca 0.63 1.79 -0.20 0.00 -0.80 0.00 0.00 55.06 56.48 3pcg s HIS 534 Cb -0.18 0.29 0.19 0.00 -1.43 0.00 0.00 32.58 31.45 3pcg s HIS 534 CO 0.57 -0.41 0.66 1.19 -2.00 0.00 0.00 174.74 174.75 3pcg n PHE 535 N 2.40 -1.44 1.33 0.38 3.72 -1.26 -5.24 117.46 117.35 3pcg n PHE 535 Ca -0.15 0.74 0.13 0.00 -0.05 0.00 0.00 57.45 58.12 3pcg n PHE 535 Cb 0.55 -2.43 0.38 0.00 -0.94 0.00 0.00 39.48 37.04 3pcg n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10