#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 2.36 0.06 0.55 0.00 -1.26 -5.06 121.76 118.41 3pcg s ALA 302 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.64 3pcg s ALA 302 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3pcg s ALA 302 CO 0.00 -1.46 -0.11 -0.65 0.00 0.00 0.00 175.76 173.55 3pcg s GLN 303 N -4.04 0.66 -1.27 0.00 -0.21 -1.26 -5.09 119.66 108.45 3pcg s GLN 303 Ca 0.69 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 55.04 3pcg s GLN 303 Cb -0.23 -0.53 0.08 0.00 1.00 0.00 0.00 33.01 33.33 3pcg s GLN 303 CO 0.42 0.11 1.68 0.34 -2.12 0.00 0.00 175.29 175.73 3pcg s ASP 304 N -1.66 6.83 0.00 5.90 2.15 -1.26 -4.66 116.67 123.97 3pcg s ASP 304 Ca -0.06 -2.42 0.05 0.00 0.43 0.00 0.00 52.55 50.54 3pcg s ASP 304 Cb -0.10 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3pcg s ASP 304 CO 0.01 -1.15 0.59 -0.46 -0.17 0.00 0.00 175.17 173.99 3pcg n ASN 305 N 8.16 1.25 -4.27 -0.34 0.23 -1.26 -5.01 115.26 114.02 3pcg n ASN 305 Ca 0.46 -1.12 -0.17 0.00 -0.53 0.00 0.00 54.58 53.22 3pcg n ASN 305 Cb 0.46 0.15 -0.11 0.00 -2.08 0.00 0.00 39.78 38.21 3pcg n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pcg s SER 306 N -0.58 2.07 0.02 0.53 0.01 -1.26 -3.77 113.70 110.71 3pcg s SER 306 Ca 0.05 -0.90 0.07 0.00 1.31 0.00 0.00 55.95 56.48 3pcg s SER 306 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 3pcg s SER 306 CO 0.08 -0.20 -0.20 -0.13 0.41 0.00 0.00 173.24 173.20 3pcg s ARG 307 N -3.14 1.48 -0.13 12.44 1.81 0.36 -4.87 118.95 126.90 3pcg s ARG 307 Ca 0.14 -0.83 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 3pcg s ARG 307 Cb -0.02 -1.51 -0.02 0.00 -0.45 0.00 0.00 34.95 32.95 3pcg s ARG 307 CO 0.03 0.40 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.90 3pcg s PHE 308 N -0.65 2.89 0.11 -0.53 0.08 -1.26 -0.81 117.98 117.82 3pcg s PHE 308 Ca 0.07 -0.42 -0.36 0.00 0.12 0.00 0.00 56.93 56.35 3pcg s PHE 308 Cb -0.08 -1.85 -0.16 0.00 -0.57 0.00 0.00 43.02 40.36 3pcg s PHE 308 CO 0.01 -0.06 1.44 0.28 -0.10 0.00 0.00 175.22 176.78 3pcg n VAL 309 N 3.30 0.00 -1.63 -0.44 0.31 0.04 -4.84 118.33 115.06 3pcg n VAL 309 Ca -0.18 -0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.70 3pcg n VAL 309 Cb 0.53 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.88 1.58 -2.20 2.52 2.08 -1.26 -4.69 119.36 120.26 3pcg n ILE 310 Ca 0.18 -0.39 -0.38 0.00 0.56 0.00 0.00 62.75 62.72 3pcg n ILE 310 Cb 0.23 -1.20 -0.01 0.00 -0.75 0.00 0.00 39.64 37.91 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 -1.17 3.77 -0.51 0.38 0.52 -1.26 -4.99 118.95 115.70 3pcg s ARG 311 Ca 0.62 1.86 -0.16 0.00 -0.52 0.00 0.00 55.73 57.53 3pcg s ARG 311 Cb -0.69 -2.47 0.09 0.00 0.52 0.00 0.00 34.95 32.41 3pcg s ARG 311 CO 0.57 -0.56 0.48 0.34 0.02 0.00 0.00 175.30 176.14 3pcg s ASP 312 N -1.23 6.17 0.00 0.23 -1.08 -1.26 -4.90 116.67 114.60 3pcg s ASP 312 Ca 0.63 -1.45 0.22 0.00 -0.52 0.00 0.00 52.55 51.43 3pcg s ASP 312 Cb -0.31 -2.21 1.32 0.00 -1.46 0.00 0.00 42.92 40.26 3pcg s ASP 312 CO 0.38 -0.78 1.73 0.54 0.52 0.00 0.00 175.17 177.55 3pcg n ARG 313 N 5.41 0.78 -0.02 4.34 1.74 -1.26 -1.70 116.66 125.96 3pcg n ARG 313 Ca -0.12 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.03 3pcg n ARG 313 Cb 0.42 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.94 0.06 -0.07 0.55 3.02 -1.26 -4.40 115.26 112.23 3pcg n ASN 314 Ca 0.17 0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.63 3pcg n ASN 314 Cb 0.08 1.70 -0.11 0.00 -0.61 0.00 0.00 39.78 40.84 3pcg n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pcg h TRP 315 N 0.00 -0.00 -4.31 3.10 2.91 -1.74 -3.44 115.95 112.46 3pcg h TRP 315 Ca -0.10 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.40 3pcg h TRP 315 Cb 1.24 0.00 0.13 0.00 -0.51 0.00 0.00 29.16 30.02 3pcg h TRP 315 CO 0.00 0.81 0.33 -1.01 -1.03 0.00 0.00 178.44 177.54 3pcg s HIS 316 N -2.10 2.64 0.53 2.65 3.76 -1.01 -4.72 115.29 117.04 3pcg s HIS 316 Ca -0.15 1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 56.08 3pcg s HIS 316 Cb -0.02 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.58 3pcg s HIS 316 CO 0.56 -1.73 1.27 -1.25 -0.85 0.00 0.00 174.74 172.74 3pcg s PRO 317 N -4.89 3.29 0.86 8.40 0.04 -1.26 -4.79 135.00 136.65 3pcg s PRO 317 Ca 0.61 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 3pcg s PRO 317 Cb -0.17 -2.24 0.11 0.00 0.04 0.00 0.00 34.50 32.24 3pcg s PRO 317 CO 0.55 -1.00 1.16 0.15 0.04 0.00 0.00 177.00 177.90 3pcg s LYS 318 N -2.92 1.53 -0.02 4.56 -0.14 -1.24 -4.98 119.74 116.53 3pcg s LYS 318 Ca 0.70 0.21 -0.23 0.00 -1.36 0.00 0.00 55.97 55.29 3pcg s LYS 318 Cb -0.35 -1.89 -0.16 0.00 -1.68 0.00 0.00 37.83 33.75 3pcg s LYS 318 CO 0.41 -1.92 1.06 0.00 -0.76 0.00 0.00 175.35 174.15 3pcg h ALA 319 N -1.29 -0.32 -2.39 5.17 0.00 -1.95 -3.41 119.26 115.06 3pcg h ALA 319 Ca -0.48 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 3pcg h ALA 319 Cb 1.33 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 3pcg h ALA 319 CO 0.64 -0.44 -0.10 -1.17 0.00 0.00 0.00 179.25 178.18 3pcg s LEU 320 N -9.26 4.55 -0.47 0.00 2.96 -1.26 -4.76 118.68 110.44 3pcg s LEU 320 Ca -0.13 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3pcg s LEU 320 Cb 0.01 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.35 3pcg s LEU 320 CO 0.51 -0.55 0.35 0.42 -1.32 0.00 0.00 176.35 175.76 3pcg s THR 321 N 2.35 0.90 0.56 3.68 -4.23 -1.26 -5.03 115.64 112.60 3pcg s THR 321 Ca 0.16 -2.89 0.42 0.00 -1.18 0.00 0.00 61.69 58.20 3pcg s THR 321 Cb -0.16 -1.62 0.62 0.00 1.34 0.00 0.00 72.50 72.68 3pcg s THR 321 CO 0.14 -1.15 1.67 -0.65 -0.54 0.00 0.00 174.62 174.09 3pcg h PRO 322 N 5.78 0.00 0.00 3.99 0.11 -1.93 0.14 132.00 140.08 3pcg h PRO 322 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 3pcg h PRO 322 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3pcg h PRO 322 CO 0.44 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.70 3pcg h ASP 323 N 0.00 0.00 -3.41 -2.05 3.32 -1.96 -3.16 116.42 109.16 3pcg h ASP 323 Ca 0.71 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.98 3pcg h ASP 323 Cb 2.94 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 42.24 3pcg h ASP 323 CO -0.01 0.09 0.46 -0.47 -1.72 0.00 0.00 179.24 177.59 3pcg s TYR 324 N -3.96 3.93 0.32 4.55 5.04 0.47 -4.82 117.35 122.88 3pcg s TYR 324 Ca -0.02 -2.29 0.05 0.00 -2.44 0.00 0.00 57.07 52.37 3pcg s TYR 324 Cb 0.11 -3.92 0.84 0.00 0.35 0.00 0.00 41.96 39.35 3pcg s TYR 324 CO 0.55 -1.06 1.57 0.87 -1.34 0.00 0.00 175.55 176.15 3pcg h LYS 325 N 7.28 0.01 0.00 4.97 1.57 -1.76 0.07 116.57 128.71 3pcg h LYS 325 Ca 0.17 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3pcg h LYS 325 Cb 0.94 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3pcg h LYS 325 CO 0.95 0.01 -0.05 1.15 -0.57 0.00 0.00 179.45 180.94 3pcg h THR 326 N 0.01 0.52 0.00 -0.16 2.02 -1.91 -1.69 112.91 111.70 3pcg h THR 326 Ca 0.64 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.57 3pcg h THR 326 Cb 1.38 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3pcg h THR 326 CO -0.89 0.05 0.00 0.77 0.37 0.00 0.00 175.52 175.82 3pcg h SER 327 N 0.00 0.00 0.27 4.18 4.64 -1.27 -3.11 113.55 118.26 3pcg h SER 327 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3pcg h SER 327 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3pcg h SER 327 CO 0.01 0.00 -0.19 0.40 -0.87 0.00 0.00 176.83 176.18 3pcg h ILE 328 N 0.00 0.60 -0.00 0.95 2.04 -1.43 -3.00 117.51 116.67 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 0.42 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3pcg h ILE 328 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 177.95 3pcg n ALA 329 N -2.38 2.84 -1.50 1.87 0.00 -1.23 -4.15 120.51 115.95 3pcg n ALA 329 Ca -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.09 3pcg n ALA 329 Cb 0.23 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.47 1.90 -4.84 0.00 1.74 -1.16 -4.97 116.66 107.87 3pcg n ARG 330 Ca 0.07 -3.25 -0.27 0.00 -0.77 0.00 0.00 57.85 53.63 3pcg n ARG 330 Cb 0.33 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 29.78 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 -2.64 2.23 0.42 0.55 1.04 -1.14 -4.95 113.70 109.21 3pcg s SER 331 Ca 0.45 -0.38 -0.26 0.00 0.48 0.00 0.00 55.95 56.25 3pcg s SER 331 Cb 0.41 -0.82 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 3pcg s SER 331 CO -0.01 0.12 1.33 -2.84 0.98 0.00 0.00 173.24 172.82 3pcg s PRO 332 N 0.28 3.86 0.03 4.02 0.02 -1.26 -4.95 135.00 136.99 3pcg s PRO 332 Ca -0.10 2.21 0.19 0.00 0.02 0.00 0.00 61.00 63.32 3pcg s PRO 332 Cb -0.14 -2.70 -0.18 0.00 0.02 0.00 0.00 34.50 31.50 3pcg s PRO 332 CO 0.04 -0.60 0.66 0.54 -0.33 0.00 0.00 177.00 177.31 3pcg n ARG 333 N -0.02 0.64 -2.76 5.54 5.12 -1.26 -4.89 116.66 119.03 3pcg n ARG 333 Ca 0.04 0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.71 3pcg n ARG 333 Cb 0.43 -1.69 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 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 -3.10 3.86 0.59 5.56 -1.52 -1.26 -5.04 119.66 118.75 3pcg s GLN 334 Ca -0.05 0.65 -0.18 0.00 -1.95 0.00 0.00 55.36 53.83 3pcg s GLN 334 Cb 0.10 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.54 3pcg s GLN 334 CO 0.84 -0.08 1.15 0.00 -0.25 0.00 0.00 175.29 176.95 3pcg s ALA 335 N -2.39 2.57 0.52 6.09 0.00 -1.26 -4.99 121.76 122.29 3pcg s ALA 335 Ca 0.54 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 3pcg s ALA 335 Cb -0.10 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3pcg s ALA 335 CO 0.29 -1.05 1.20 -0.51 0.00 0.00 0.00 175.76 175.69 3pcg s LEU 336 N -4.17 3.86 -0.27 0.00 1.43 -1.26 -4.99 118.68 113.28 3pcg s LEU 336 Ca 0.73 2.38 -0.14 0.00 -1.03 0.00 0.00 54.13 56.08 3pcg s LEU 336 Cb -0.26 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 3pcg s LEU 336 CO 0.33 -1.23 0.31 -0.69 0.23 0.00 0.00 176.35 175.30 3pcg s VAL 337 N -1.55 5.22 0.16 -1.59 1.01 -1.26 -5.05 120.40 117.34 3pcg s VAL 337 Ca 0.70 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 3pcg s VAL 337 Cb -0.30 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 3pcg s VAL 337 CO 0.35 0.19 1.10 -0.44 0.00 0.00 0.00 175.10 176.30 3pcg s SER 338 N 1.68 7.27 0.06 3.32 0.01 -1.26 -5.05 113.70 119.72 3pcg s SER 338 Ca 0.12 2.06 0.03 0.00 1.31 0.00 0.00 55.95 59.47 3pcg s SER 338 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 3pcg s SER 338 CO 0.10 -0.23 -0.09 0.27 0.41 0.00 0.00 173.24 173.70 3pcg s ILE 339 N -0.12 0.71 0.77 1.44 -4.36 -1.26 -5.14 121.20 113.23 3pcg s ILE 339 Ca 0.50 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 59.54 3pcg s ILE 339 Cb -0.29 -0.84 0.06 0.00 1.25 0.00 0.00 42.46 42.64 3pcg s ILE 339 CO 0.34 -0.40 1.11 -2.16 0.24 0.00 0.00 174.94 174.08 3pcg s PRO 340 N -1.87 2.16 0.11 0.37 0.04 -1.26 -4.98 135.00 129.57 3pcg s PRO 340 Ca -0.06 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 3pcg s PRO 340 Cb -0.08 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 3pcg s PRO 340 CO 0.00 -1.74 0.92 -0.65 0.04 0.00 0.00 177.00 175.57 3pcg s GLN 341 N -4.61 4.67 0.40 4.56 -0.21 -1.26 -5.01 119.66 118.21 3pcg s GLN 341 Ca 0.64 1.38 0.05 0.00 0.02 0.00 0.00 55.36 57.45 3pcg s GLN 341 Cb -0.20 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.43 3pcg s GLN 341 CO 0.52 0.27 0.18 -1.54 -2.12 0.00 0.00 175.29 172.60 3pcg s SER 342 N -0.16 2.62 0.57 5.90 1.04 -1.26 -5.00 113.70 117.41 3pcg s SER 342 Ca 0.44 -1.74 0.28 0.00 0.48 0.00 0.00 55.95 55.41 3pcg s SER 342 Cb -0.23 0.59 1.51 0.00 0.10 0.00 0.00 66.02 67.99 3pcg s SER 342 CO 0.29 -1.01 1.99 -0.29 0.98 0.00 0.00 173.24 175.20 3pcg h ILE 343 N 1.82 0.52 -0.78 -1.02 2.10 -1.95 -0.68 117.51 117.51 3pcg h ILE 343 Ca -0.32 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.60 3pcg h ILE 343 Cb 1.27 0.73 -0.04 0.00 -1.09 0.00 0.00 36.82 37.69 3pcg h ILE 343 CO 0.50 0.00 0.41 0.28 -1.08 0.00 0.00 178.15 178.26 3pcg h SER 344 N 0.00 0.99 0.40 2.19 0.02 -1.95 -3.02 113.55 112.18 3pcg h SER 344 Ca 0.19 -0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.74 3pcg h SER 344 Cb 0.91 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 3pcg h SER 344 CO -0.00 0.82 -1.83 -0.62 -1.14 0.00 0.00 176.83 174.06 3pcg n GLU 345 N -4.41 0.64 -0.01 3.45 4.71 -0.39 -4.35 120.64 120.29 3pcg n GLU 345 Ca 0.07 0.21 0.14 0.00 -0.01 0.00 0.00 57.16 57.57 3pcg n GLU 345 Cb 0.11 -1.73 0.61 0.00 -1.01 0.00 0.00 31.44 29.42 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 -2.95 0.03 -4.51 2.62 -2.24 -0.45 -3.09 114.28 103.69 3pcg n THR 346 Ca -0.19 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 3pcg n THR 346 Cb 1.04 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.97 2.17 0.02 4.28 -4.23 -1.14 -4.68 115.64 110.08 3pcg s THR 347 Ca 0.39 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 3pcg s THR 347 Cb 0.20 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 71.26 3pcg s THR 347 CO 0.33 -0.07 1.14 -0.83 -0.54 0.00 0.00 174.62 174.65 3pcg s GLY 348 N -3.71 -0.35 0.49 3.99 0.00 -1.23 -1.57 107.32 104.95 3pcg s GLY 348 Ca 0.35 0.63 -0.22 0.00 0.00 0.00 0.00 44.72 45.48 3pcg s GLY 348 CO 0.18 0.14 1.16 2.56 0.00 0.00 0.00 173.10 177.14 3pcg s PRO 349 N -2.76 3.59 -0.21 2.90 0.04 -1.26 -4.83 135.00 132.46 3pcg s PRO 349 Ca 0.12 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 3pcg s PRO 349 Cb 0.02 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3pcg s PRO 349 CO -0.02 -0.68 -0.06 1.21 0.04 0.00 0.00 177.00 177.48 3pcg s ASN 350 N -1.50 4.17 -0.01 6.66 3.84 -1.26 -4.89 114.94 121.95 3pcg s ASN 350 Ca 0.67 -0.42 0.16 0.00 0.21 0.00 0.00 52.86 53.48 3pcg s ASN 350 Cb -0.27 -1.71 0.46 0.00 -0.55 0.00 0.00 41.25 39.18 3pcg s ASN 350 CO 0.32 -0.01 1.38 0.49 -2.79 0.00 0.00 177.10 176.49 3pcg n PHE 351 N 4.74 0.72 -0.22 0.43 3.72 -1.26 -4.58 117.46 121.01 3pcg n PHE 351 Ca -0.18 -0.35 0.30 0.00 -0.05 0.00 0.00 57.45 57.16 3pcg n PHE 351 Cb 0.51 -0.02 0.71 0.00 -0.94 0.00 0.00 39.48 39.74 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 3.00 0.04 -0.72 4.37 0.02 -1.96 -0.88 113.55 117.42 3pcg h SER 352 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pcg h SER 352 Cb 0.73 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3pcg h SER 352 CO 0.02 0.01 0.00 1.41 -1.14 0.00 0.00 176.83 177.13 3pcg n HIS 353 N -4.27 0.96 -2.44 3.45 8.25 -1.26 -4.94 115.22 114.97 3pcg n HIS 353 Ca 0.21 -0.48 -0.39 0.00 -0.26 0.00 0.00 57.72 56.80 3pcg n HIS 353 Cb 1.02 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 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 -1.00 4.33 -0.68 2.41 2.96 -0.34 -4.96 118.68 121.40 3pcg s LEU 354 Ca 0.48 2.22 -0.21 0.00 -0.22 0.00 0.00 54.13 56.40 3pcg s LEU 354 Cb 0.25 -3.90 0.08 0.00 0.50 0.00 0.00 46.19 43.13 3pcg s LEU 354 CO 0.33 -0.39 0.93 -0.83 -1.32 0.00 0.00 176.35 175.07 3pcg s GLY 355 N -1.15 1.52 0.20 7.98 0.00 -1.26 -5.02 107.32 109.59 3pcg s GLY 355 Ca 0.52 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 3pcg s GLY 355 CO 0.36 1.96 0.68 -1.36 0.00 0.00 0.00 173.10 174.74 3pcg s PHE 356 N 3.63 3.65 0.66 1.90 0.40 -1.26 -5.06 117.98 121.89 3pcg s PHE 356 Ca 0.21 1.31 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 3pcg s PHE 356 Cb -0.17 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 3pcg s PHE 356 CO 0.07 0.37 1.05 0.20 0.70 0.00 0.00 175.22 177.61 3pcg s GLY 357 N -1.64 1.68 0.50 4.36 0.00 -1.26 -4.96 107.32 106.01 3pcg s GLY 357 Ca 0.41 0.02 0.20 0.00 0.00 0.00 0.00 44.72 45.35 3pcg s GLY 357 CO 0.21 0.32 2.04 0.00 0.00 0.00 0.00 173.10 175.66 3pcg h ALA 358 N -0.50 2.23 -0.08 3.20 0.00 -2.03 -2.49 119.26 119.58 3pcg h ALA 358 Ca -0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3pcg h ALA 358 Cb 1.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3pcg h ALA 358 CO 0.59 -0.33 -0.25 0.72 0.00 0.00 0.00 179.25 179.98 3pcg n HIS 359 N -4.45 0.26 0.17 0.00 8.25 -1.26 -4.77 115.22 113.43 3pcg n HIS 359 Ca 0.06 -1.34 0.14 0.00 -0.26 0.00 0.00 57.72 56.32 3pcg n HIS 359 Cb 0.39 -0.27 0.71 0.00 1.12 0.00 0.00 29.99 31.94 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 0.79 0.00 -0.49 0.41 3.32 -1.73 -2.20 116.42 116.52 3pcg h ASP 360 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3pcg h ASP 360 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3pcg h ASP 360 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3pcg n HIS 361 N -4.29 0.65 -3.97 4.55 1.44 -1.18 -2.22 115.22 110.19 3pcg n HIS 361 Ca 0.02 -0.44 -0.31 0.00 -2.01 0.00 0.00 57.72 54.98 3pcg n HIS 361 Cb 0.30 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.06 4.62 0.00 4.39 -1.08 -0.83 -1.55 116.67 121.16 3pcg s ASP 362 Ca 0.35 -2.51 0.14 0.00 -0.52 0.00 0.00 52.55 50.01 3pcg s ASP 362 Cb 0.19 -1.65 0.67 0.00 -1.46 0.00 0.00 42.92 40.67 3pcg s ASP 362 CO 0.25 -0.33 1.42 0.18 0.52 0.00 0.00 175.17 177.21 3pcg n LEU 363 N 3.79 0.00 0.06 -1.34 4.32 0.18 -0.96 117.00 123.05 3pcg n LEU 363 Ca 0.04 0.38 -0.07 0.00 -0.02 0.00 0.00 56.01 56.35 3pcg n LEU 363 Cb 0.38 -0.38 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 3pcg n LEU 363 CO 0.27 -0.20 0.15 -0.07 -1.22 0.00 0.00 177.39 176.33 3pcg h LEU 364 N 0.00 0.01 0.00 2.23 4.07 -1.92 -3.39 115.31 116.31 3pcg h LEU 364 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3pcg h LEU 364 Cb 0.18 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3pcg h LEU 364 CO 0.00 0.99 -0.45 0.18 -1.08 0.00 0.00 178.44 178.08 3pcg n LEU 365 N -3.37 0.05 0.00 1.67 4.77 -0.95 -4.50 117.00 114.66 3pcg n LEU 365 Ca -0.00 -0.31 0.14 0.00 -0.03 0.00 0.00 56.01 55.80 3pcg n LEU 365 Cb 0.93 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.78 3pcg n LEU 365 CO 0.47 0.01 0.98 -0.46 -1.33 0.00 0.00 177.39 177.06 3pcg n ASN 366 N -1.23 0.00 0.00 -1.43 0.23 -0.13 -5.05 115.26 107.65 3pcg n ASN 366 Ca 0.00 -0.53 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 3pcg n ASN 366 Cb 0.03 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 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 -1.13 0.00 -0.06 -2.53 7.35 -1.26 -4.99 117.46 114.84 3pcg n PHE 367 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 3pcg n PHE 367 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 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 2.82 0.00 3.88 7.13 0.00 -1.26 -4.67 105.19 113.09 3pcg n GLY 371 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 4.35 0.75 0.99 2.96 -1.26 -4.85 118.68 121.21 3pcg s LEU 372 Ca 0.00 0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 54.21 3pcg s LEU 372 Cb 0.00 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.59 3pcg s LEU 372 CO 0.00 0.38 1.16 -2.84 -1.32 0.00 0.00 176.35 173.73 3pcg s PRO 373 N -1.19 2.09 -0.08 0.98 0.02 -1.26 -4.82 135.00 130.74 3pcg s PRO 373 Ca 0.17 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 62.60 3pcg s PRO 373 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3pcg s PRO 373 CO 0.07 -1.83 0.43 0.42 -0.33 0.00 0.00 177.00 175.75 3pcg s ILE 374 N -2.29 5.14 0.00 2.83 1.01 -1.26 -5.00 121.20 121.62 3pcg s ILE 374 Ca 0.70 0.86 0.00 0.00 0.00 0.00 0.00 60.65 62.20 3pcg s ILE 374 Cb -0.25 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3pcg s ILE 374 CO 0.48 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.46 3pcg n GLY 375 N 2.72 1.01 3.61 6.18 0.00 -1.26 -4.41 105.19 113.04 3pcg n GLY 375 Ca -0.10 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.14 3.62 0.07 1.61 2.02 -1.26 -4.93 118.70 118.69 3pcg s GLU 376 Ca 0.00 1.09 -0.31 0.00 0.02 0.00 0.00 54.97 55.77 3pcg s GLU 376 Cb 0.00 -4.02 -0.06 0.00 0.10 0.00 0.00 34.13 30.15 3pcg s GLU 376 CO 0.00 -1.50 1.27 1.03 0.02 0.00 0.00 175.26 176.08 3pcg s ARG 377 N 4.87 4.38 0.02 1.61 0.52 -1.26 -1.15 118.95 127.94 3pcg s ARG 377 Ca 0.63 1.87 -0.13 0.00 -0.52 0.00 0.00 55.73 57.59 3pcg s ARG 377 Cb -0.16 -3.35 0.02 0.00 0.52 0.00 0.00 34.95 31.98 3pcg s ARG 377 CO 0.31 -0.35 0.26 0.96 0.02 0.00 0.00 175.30 176.51 3pcg s ILE 378 N 1.25 0.08 -0.15 1.52 -4.36 0.16 -2.35 121.20 117.36 3pcg s ILE 378 Ca 0.61 -0.65 -0.06 0.00 -0.26 0.00 0.00 60.65 60.29 3pcg s ILE 378 Cb -0.31 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 3pcg s ILE 378 CO 0.29 -0.36 0.05 -0.63 0.24 0.00 0.00 174.94 174.53 3pcg s ILE 379 N -1.94 4.68 -0.23 8.37 1.01 -0.36 -0.07 121.20 132.66 3pcg s ILE 379 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.48 3pcg s ILE 379 Cb -0.03 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.41 3pcg s ILE 379 CO 0.00 0.52 -0.13 -0.69 0.00 0.00 0.00 174.94 174.65 3pcg s VAL 380 N -0.14 2.35 0.18 2.92 1.01 0.28 -0.78 120.40 126.23 3pcg s VAL 380 Ca 0.06 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3pcg s VAL 380 Cb -0.12 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3pcg s VAL 380 CO 0.01 0.25 0.05 0.00 0.00 0.00 0.00 175.10 175.41 3pcg s ALA 381 N 1.24 1.30 0.00 5.51 0.00 -0.44 -1.00 121.76 128.36 3pcg s ALA 381 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3pcg s ALA 381 Cb -0.16 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3pcg s ALA 381 CO -0.08 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3pcg n GLY 382 N -0.26 -1.09 3.16 0.00 0.00 -1.04 -0.15 105.19 105.81 3pcg n GLY 382 Ca -0.04 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.93 0.80 -0.26 1.61 3.52 -1.25 -2.06 118.95 120.38 3pcg s ARG 383 Ca 0.00 -0.98 -0.05 0.00 -0.13 0.00 0.00 55.73 54.57 3pcg s ARG 383 Cb 0.00 -0.74 -0.00 0.00 -1.56 0.00 0.00 34.95 32.65 3pcg s ARG 383 CO 0.00 0.15 0.03 0.08 -0.81 0.00 0.00 175.30 174.75 3pcg s VAL 384 N -1.49 3.72 0.33 7.11 1.01 0.11 0.11 120.40 131.30 3pcg s VAL 384 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3pcg s VAL 384 Cb -0.09 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3pcg s VAL 384 CO 0.02 0.24 0.09 0.68 0.00 0.00 0.00 175.10 176.12 3pcg s VAL 385 N 1.49 0.88 0.50 2.92 -7.23 0.12 -0.70 120.40 118.37 3pcg s VAL 385 Ca 0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3pcg s VAL 385 Cb -0.16 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.17 3pcg s VAL 385 CO 0.00 0.00 0.55 1.51 -0.31 0.00 0.00 175.10 176.85 3pcg s ASP 386 N -3.48 5.08 0.51 4.85 -4.77 0.25 -0.19 116.67 118.91 3pcg s ASP 386 Ca 0.33 -0.83 0.18 0.00 -3.30 0.00 0.00 52.55 48.93 3pcg s ASP 386 Cb 0.07 -0.09 1.26 0.00 -1.09 0.00 0.00 42.92 43.07 3pcg s ASP 386 CO 0.15 -0.99 2.07 1.56 0.70 0.00 0.00 175.17 178.66 3pcg h GLN 387 N 0.63 0.08 -0.00 2.11 4.20 -1.48 0.15 115.11 120.80 3pcg h GLN 387 Ca -0.36 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3pcg h GLN 387 Cb 1.28 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3pcg h GLN 387 CO 0.50 0.05 -0.00 0.66 -0.67 0.00 0.00 178.83 179.37 3pcg n TYR 388 N -4.47 0.00 -0.44 2.96 4.01 -1.26 -4.89 117.16 113.07 3pcg n TYR 388 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3pcg n TYR 388 Cb 0.29 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.30 0.77 3.72 2.72 0.00 0.54 -5.05 105.19 109.18 3pcg n GLY 389 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.56 4.61 0.71 1.61 2.20 -1.25 -4.71 119.74 122.34 3pcg s LYS 390 Ca 0.00 1.44 -0.16 0.00 -0.36 0.00 0.00 55.97 56.90 3pcg s LYS 390 Cb 0.00 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3pcg s LYS 390 CO 0.00 0.04 1.22 -2.14 -0.36 0.00 0.00 175.35 174.11 3pcg s PRO 391 N 0.64 2.25 -0.46 4.03 0.02 -1.26 -0.58 135.00 139.64 3pcg s PRO 391 Ca 0.50 1.80 0.01 0.00 0.02 0.00 0.00 61.00 63.33 3pcg s PRO 391 Cb -0.22 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.58 3pcg s PRO 391 CO 0.29 -1.76 0.22 0.08 -0.33 0.00 0.00 177.00 175.50 3pcg s VAL 392 N -1.88 2.92 0.41 3.83 1.01 0.12 -4.82 120.40 121.99 3pcg s VAL 392 Ca 0.76 -2.61 -0.13 0.00 0.00 0.00 0.00 61.98 59.99 3pcg s VAL 392 Cb -0.30 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3pcg s VAL 392 CO 0.44 -0.73 0.82 -2.16 0.00 0.00 0.00 175.10 173.46 3pcg s PRO 393 N 0.50 3.89 -1.40 2.72 0.04 -1.26 -4.27 135.00 135.22 3pcg s PRO 393 Ca 0.13 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.79 3pcg s PRO 393 Cb -0.22 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.00 3pcg s PRO 393 CO -0.04 -0.04 0.60 0.09 0.04 0.00 0.00 177.00 177.65 3pcg n ASN 394 N -1.10 -1.22 -4.51 6.66 4.13 -0.61 -4.95 115.26 113.67 3pcg n ASN 394 Ca 0.04 -0.92 -0.30 0.00 1.68 0.00 0.00 54.58 55.09 3pcg n ASN 394 Cb 0.54 -3.49 -0.11 0.00 -1.54 0.00 0.00 39.78 35.17 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 -3.75 2.97 -0.26 3.41 -1.32 -1.26 -4.55 115.64 110.88 3pcg s THR 395 Ca 0.11 -1.40 -0.24 0.00 -1.21 0.00 0.00 61.69 58.95 3pcg s THR 395 Cb -0.06 -2.35 -0.00 0.00 -1.51 0.00 0.00 72.50 68.58 3pcg s THR 395 CO 0.86 0.14 0.82 -0.22 -2.21 0.00 0.00 174.62 174.01 3pcg s LEU 396 N -2.05 4.07 -0.21 9.08 2.96 -1.26 -0.32 118.68 130.95 3pcg s LEU 396 Ca 0.18 0.92 -0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3pcg s LEU 396 Cb -0.11 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.44 3pcg s LEU 396 CO 0.10 -0.56 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.75 3pcg s VAL 397 N 2.90 2.45 0.06 1.68 1.01 0.12 -1.32 120.40 127.31 3pcg s VAL 397 Ca 0.34 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3pcg s VAL 397 Cb -0.15 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3pcg s VAL 397 CO 0.09 0.37 -0.20 -1.61 0.00 0.00 0.00 175.10 173.75 3pcg s GLU 398 N 1.30 1.93 0.04 2.72 2.02 0.02 -0.91 118.70 125.82 3pcg s GLU 398 Ca 0.02 -1.06 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 3pcg s GLU 398 Cb -0.15 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 3pcg s GLU 398 CO -0.09 0.52 0.17 0.00 0.02 0.00 0.00 175.26 175.88 3pcg s MET 399 N -1.61 0.66 0.03 1.61 0.23 -0.34 -0.66 119.30 119.23 3pcg s MET 399 Ca 0.15 -0.67 -0.16 0.00 -1.03 0.00 0.00 55.69 53.98 3pcg s MET 399 Cb -0.10 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3pcg s MET 399 CO 0.06 -0.19 0.34 1.67 -2.03 0.00 0.00 175.02 174.88 3pcg s TRP 400 N -2.61 -0.18 0.16 3.16 -2.14 -0.89 -1.13 118.94 115.31 3pcg s TRP 400 Ca -0.05 0.13 -0.24 0.00 2.66 0.00 0.00 56.10 58.60 3pcg s TRP 400 Cb -0.01 0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.57 3pcg s TRP 400 CO -0.04 -0.50 1.00 1.14 -2.66 0.00 0.00 176.95 175.89 3pcg s GLN 401 N -2.25 1.21 0.92 3.25 -2.07 -0.36 -0.71 119.66 119.65 3pcg s GLN 401 Ca -0.07 -0.71 -0.12 0.00 -1.82 0.00 0.00 55.36 52.64 3pcg s GLN 401 Cb -0.02 0.39 0.20 0.00 -1.09 0.00 0.00 33.01 32.49 3pcg s GLN 401 CO -0.01 -0.56 1.25 0.00 -1.32 0.00 0.00 175.29 174.65 3pcg s ALA 402 N -2.86 2.66 0.69 2.60 0.00 -1.26 -4.64 121.76 118.95 3pcg s ALA 402 Ca 0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 3pcg s ALA 402 Cb -0.01 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.67 3pcg s ALA 402 CO 0.03 -2.28 0.29 0.27 0.00 0.00 0.00 175.76 174.08 3pcg n ASN 403 N -3.55 0.22 0.24 0.00 0.23 0.22 -4.53 115.26 108.09 3pcg n ASN 403 Ca 0.17 -1.22 0.15 0.00 -0.53 0.00 0.00 54.58 53.14 3pcg n ASN 403 Cb 0.60 -0.20 0.83 0.00 -2.08 0.00 0.00 39.78 38.92 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 -1.08 1.75 -0.03 -2.53 0.00 -1.77 -1.01 119.26 114.58 3pcg h ALA 404 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3pcg h ALA 404 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3pcg h ALA 404 CO 0.09 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3pcg n GLY 405 N -1.40 0.55 1.32 0.00 0.00 -1.26 -3.04 105.19 101.36 3pcg n GLY 405 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.27 0.60 3.68 -0.02 0.00 -0.58 -4.81 105.19 105.33 3pcg n GLY 406 Ca 0.16 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.23 4.12 0.14 1.61 6.06 -1.26 -4.75 118.95 123.63 3pcg s ARG 407 Ca 0.00 -0.20 -0.05 0.00 -2.50 0.00 0.00 55.73 52.99 3pcg s ARG 407 Cb 0.00 -3.51 -0.05 0.00 0.06 0.00 0.00 34.95 31.45 3pcg s ARG 407 CO 0.00 0.12 0.37 0.71 -2.50 0.00 0.00 175.30 173.99 3pcg s TYR 408 N 0.89 3.48 -1.20 5.12 2.02 -1.26 -0.61 117.35 125.79 3pcg s TYR 408 Ca 0.09 0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 57.24 3pcg s TYR 408 Cb -0.13 -1.99 0.21 0.00 -0.40 0.00 0.00 41.96 39.65 3pcg s TYR 408 CO 0.03 0.44 1.57 -2.13 -1.57 0.00 0.00 175.55 173.89 3pcg n ARG 409 N 0.10 3.70 -3.76 -0.62 0.63 -1.26 -4.77 116.66 110.69 3pcg n ARG 409 Ca -0.03 -3.95 -0.12 0.00 -0.92 0.00 0.00 57.85 52.83 3pcg n ARG 409 Cb 0.52 -2.83 -0.12 0.00 0.45 0.00 0.00 32.46 30.48 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 -0.12 -0.34 0.25 -0.14 2.46 -1.26 -5.06 115.29 111.09 3pcg s HIS 410 Ca 0.38 0.80 -0.04 0.00 0.47 0.00 0.00 55.06 56.66 3pcg s HIS 410 Cb 0.02 0.10 0.50 0.00 -0.13 0.00 0.00 32.58 33.08 3pcg s HIS 410 CO 0.01 -0.19 1.66 0.87 -2.47 0.00 0.00 174.74 174.62 3pcg h LYS 411 N 6.26 0.19 0.00 2.88 1.57 -2.07 -0.77 116.57 124.64 3pcg h LYS 411 Ca -0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3pcg h LYS 411 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3pcg h LYS 411 CO 0.34 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 3pcg n ASN 412 N -5.24 0.12 -4.47 0.86 5.03 -1.26 -4.61 115.26 105.69 3pcg n ASN 412 Ca 0.15 0.53 -0.43 0.00 0.87 0.00 0.00 54.58 55.70 3pcg n ASN 412 Cb 0.51 -0.55 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 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 -3.21 6.21 -0.18 6.41 2.15 -0.30 -4.87 116.67 122.88 3pcg s ASP 413 Ca 0.06 -0.86 0.16 0.00 0.43 0.00 0.00 52.55 52.33 3pcg s ASP 413 Cb 0.09 -2.41 0.68 0.00 -0.30 0.00 0.00 42.92 40.97 3pcg s ASP 413 CO 0.26 -1.37 1.59 0.54 -0.17 0.00 0.00 175.17 176.03 3pcg n ARG 414 N 7.56 3.90 -1.70 4.34 5.12 -1.26 -4.88 116.66 129.73 3pcg n ARG 414 Ca -0.03 -2.94 -0.41 0.00 -1.93 0.00 0.00 57.85 52.55 3pcg n ARG 414 Cb 0.46 -1.99 0.01 0.00 -1.16 0.00 0.00 32.46 29.78 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 0.36 2.16 0.30 -1.55 9.36 -1.26 -4.85 117.16 121.68 3pcg n TYR 415 Ca 0.24 0.50 0.18 0.00 3.32 0.00 0.00 57.90 62.15 3pcg n TYR 415 Cb 0.99 -2.38 0.90 0.00 -0.63 0.00 0.00 39.34 38.22 3pcg n TYR 415 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 3pcg h LEU 416 N 2.13 0.00 -9.69 2.98 -0.00 -1.99 -3.43 115.31 105.31 3pcg h LEU 416 Ca -0.48 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.88 3pcg h LEU 416 Cb 1.29 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.98 3pcg h LEU 416 CO 0.60 0.00 0.63 0.00 -0.00 0.00 0.00 178.44 179.68 3pcg s ALA 417 N -3.84 3.51 0.69 0.17 0.00 -1.26 -4.97 121.76 116.05 3pcg s ALA 417 Ca -0.02 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 3pcg s ALA 417 Cb 0.10 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3pcg s ALA 417 CO 0.41 -0.51 1.15 -1.25 0.00 0.00 0.00 175.76 175.56 3pcg s PRO 418 N -0.26 2.52 0.67 0.00 0.04 -1.26 -4.73 135.00 131.98 3pcg s PRO 418 Ca 0.55 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 3pcg s PRO 418 Cb -0.36 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 3pcg s PRO 418 CO 0.39 -1.50 1.07 -0.51 0.04 0.00 0.00 177.00 176.49 3pcg s LEU 419 N -4.96 3.26 -0.27 -3.56 1.43 -1.26 -4.78 118.68 108.54 3pcg s LEU 419 Ca 0.70 1.74 -0.07 0.00 -1.03 0.00 0.00 54.13 55.47 3pcg s LEU 419 Cb -0.24 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.45 3pcg s LEU 419 CO 0.43 -1.44 0.08 -0.62 0.23 0.00 0.00 176.35 175.03 3pcg s ASP 420 N -3.30 5.14 0.63 2.29 -1.08 -1.26 -4.98 116.67 114.10 3pcg s ASP 420 Ca 0.61 -0.45 0.36 0.00 -0.52 0.00 0.00 52.55 52.55 3pcg s ASP 420 Cb -0.16 -1.91 2.02 0.00 -1.46 0.00 0.00 42.92 41.42 3pcg s ASP 420 CO 0.48 -0.11 2.23 1.55 0.52 0.00 0.00 175.17 179.83 3pcg h PRO 421 N 8.25 0.00 -0.61 4.34 0.13 -1.97 -0.28 132.00 141.86 3pcg h PRO 421 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3pcg h PRO 421 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3pcg h PRO 421 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3pcg n ASN 422 N -3.40 3.81 -4.04 1.44 4.13 -1.26 -4.96 115.26 110.98 3pcg n ASN 422 Ca -0.02 -2.09 -0.24 0.00 1.68 0.00 0.00 54.58 53.91 3pcg n ASN 422 Cb 0.17 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 37.81 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 -1.17 1.40 -0.20 3.10 5.36 -0.12 -4.37 117.98 121.98 3pcg s PHE 423 Ca 0.42 -0.47 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 3pcg s PHE 423 Cb 0.23 -1.01 -0.08 0.00 -0.34 0.00 0.00 43.02 41.83 3pcg s PHE 423 CO 0.27 -0.22 -0.33 0.41 -1.46 0.00 0.00 175.22 173.88 3pcg n GLY 424 N 3.61 -0.48 0.70 13.12 0.00 -1.26 -4.66 105.19 116.23 3pcg n GLY 424 Ca -0.21 -0.24 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 1.50 1.38 3.07 -0.02 0.00 -1.26 -4.55 105.19 105.31 3pcg n GLY 425 Ca -0.27 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.03 1.01 0.17 1.61 1.01 -1.26 -1.22 120.40 119.68 3pcg s VAL 426 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3pcg s VAL 426 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3pcg s VAL 426 CO 0.00 0.29 0.25 -0.83 0.00 0.00 0.00 175.10 174.82 3pcg s GLY 427 N -0.14 0.64 -0.09 4.51 0.00 -0.28 -4.79 107.32 107.17 3pcg s GLY 427 Ca 0.02 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.44 3pcg s GLY 427 CO 0.00 -0.95 0.60 1.09 0.00 0.00 0.00 173.10 173.84 3pcg s ARG 428 N -4.00 0.90 -0.22 2.90 1.70 -0.94 -1.20 118.95 118.10 3pcg s ARG 428 Ca 0.21 0.34 -0.25 0.00 -0.47 0.00 0.00 55.73 55.55 3pcg s ARG 428 Cb 0.04 0.43 0.07 0.00 -0.57 0.00 0.00 34.95 34.91 3pcg s ARG 428 CO 0.02 -0.24 0.69 0.00 -1.08 0.00 0.00 175.30 174.69 3pcg s LEU 430 N 0.04 4.07 0.62 0.00 2.96 -1.26 -0.70 118.68 124.41 3pcg s LEU 430 Ca -0.02 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 3pcg s LEU 430 Cb -0.04 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3pcg s LEU 430 CO 0.03 0.00 1.22 0.35 -1.32 0.00 0.00 176.35 176.63 3pcg n THR 431 N 4.64 4.46 -1.57 3.68 -2.24 0.57 -4.83 114.28 118.98 3pcg n THR 431 Ca -0.14 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 3pcg n THR 431 Cb 0.52 -1.44 0.10 0.00 -2.10 0.00 0.00 70.33 67.42 3pcg n THR 431 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3pcg n ASP 432 N -1.45 0.11 0.31 3.42 5.68 -0.38 -1.57 116.55 122.67 3pcg n ASP 432 Ca 0.14 -1.28 0.19 0.00 -0.50 0.00 0.00 54.79 53.34 3pcg n ASP 432 Cb 0.47 -0.51 1.04 0.00 -1.14 0.00 0.00 41.12 40.97 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 -0.86 0.00 -0.03 -1.12 0.02 -1.95 -1.58 113.55 108.02 3pcg h SER 433 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3pcg h SER 433 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3pcg h SER 433 CO 0.16 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.32 3pcg n ASP 434 N -3.32 2.89 0.00 3.07 9.92 -1.26 -4.68 116.55 123.17 3pcg n ASP 434 Ca -0.02 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 3pcg n ASP 434 Cb 0.17 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3pcg n ASP 434 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pcg n GLY 435 N 1.27 0.65 3.80 0.44 0.00 -0.60 -4.72 105.19 106.04 3pcg n GLY 435 Ca 0.13 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.70 0.09 1.61 2.02 -1.26 -0.71 117.35 120.79 3pcg s TYR 436 Ca 0.00 1.52 0.01 0.00 -0.37 0.00 0.00 57.07 58.23 3pcg s TYR 436 Cb 0.00 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3pcg s TYR 436 CO 0.00 0.34 -0.06 1.52 -1.57 0.00 0.00 175.55 175.78 3pcg s TYR 437 N -1.48 0.82 -0.14 2.71 -0.85 -0.87 -1.24 117.35 116.29 3pcg s TYR 437 Ca 0.43 -0.92 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 3pcg s TYR 437 Cb -0.18 -0.49 0.08 0.00 0.38 0.00 0.00 41.96 41.75 3pcg s TYR 437 CO 0.22 -0.18 0.75 -1.54 -1.52 0.00 0.00 175.55 173.28 3pcg s SER 438 N -2.96 -0.63 0.07 -0.18 1.04 -1.26 -2.48 113.70 107.30 3pcg s SER 438 Ca 0.10 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.45 3pcg s SER 438 Cb 0.05 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 3pcg s SER 438 CO -0.05 -0.45 -0.11 -0.36 0.98 0.00 0.00 173.24 173.24 3pcg s PHE 439 N -0.67 1.05 -0.08 5.02 0.08 -0.17 -4.87 117.98 118.33 3pcg s PHE 439 Ca -0.06 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.49 3pcg s PHE 439 Cb -0.02 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 3pcg s PHE 439 CO 0.05 0.01 -0.19 0.50 -0.10 0.00 0.00 175.22 175.49 3pcg s ARG 440 N -2.06 2.43 0.00 0.44 3.52 -0.60 -0.56 118.95 122.12 3pcg s ARG 440 Ca -0.01 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 3pcg s ARG 440 Cb -0.08 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 3pcg s ARG 440 CO 0.01 0.14 0.00 -2.37 -0.81 0.00 0.00 175.30 172.27 3pcg n THR 441 N 3.56 0.00 -4.69 4.11 5.66 0.90 0.48 114.28 124.29 3pcg n THR 441 Ca -0.20 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.51 3pcg n THR 441 Cb 0.52 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 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 -2.75 2.04 0.04 1.09 -4.36 -1.26 0.38 121.20 116.39 3pcg s ILE 442 Ca 0.00 -1.44 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 3pcg s ILE 442 Cb 0.00 -1.77 -0.08 0.00 1.25 0.00 0.00 42.46 41.86 3pcg s ILE 442 CO 0.00 0.24 1.64 -0.75 0.24 0.00 0.00 174.94 176.32 3pcg s LYS 443 N -1.46 4.20 0.56 0.37 2.20 -0.30 -4.91 119.74 120.41 3pcg s LYS 443 Ca 0.11 2.29 -0.17 0.00 -0.36 0.00 0.00 55.97 57.84 3pcg s LYS 443 Cb -0.10 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3pcg s LYS 443 CO 0.03 -0.75 1.04 -1.25 -0.36 0.00 0.00 175.35 174.06 3pcg s PRO 444 N 2.92 3.51 0.32 4.03 0.04 -1.26 -4.30 135.00 140.26 3pcg s PRO 444 Ca 0.74 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 3pcg s PRO 444 Cb -0.38 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 3pcg s PRO 444 CO 0.32 -0.65 0.58 0.20 0.04 0.00 0.00 177.00 177.49 3pcg s GLY 445 N -2.71 1.74 1.02 0.56 0.00 -0.49 -4.64 107.32 102.80 3pcg s GLY 445 Ca 0.63 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 3pcg s GLY 445 CO 0.33 -0.49 1.07 2.56 0.00 0.00 0.00 173.10 176.58 3pcg s PRO 446 N -3.79 0.23 -0.04 2.90 0.04 -1.26 -4.05 135.00 129.02 3pcg s PRO 446 Ca 0.44 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 3pcg s PRO 446 Cb -0.10 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.79 3pcg s PRO 446 CO 0.32 -2.95 0.45 1.52 0.04 0.00 0.00 177.00 176.38 3pcg s TYR 447 N -2.73 -0.38 0.52 0.56 -0.85 -1.03 -4.25 117.35 109.19 3pcg s TYR 447 Ca 0.66 0.66 -0.15 0.00 -0.52 0.00 0.00 57.07 57.72 3pcg s TYR 447 Cb -0.21 0.21 -0.07 0.00 0.38 0.00 0.00 41.96 42.27 3pcg s TYR 447 CO 0.60 -0.45 0.97 -1.25 -1.52 0.00 0.00 175.55 173.90 3pcg s PRO 448 N -1.12 3.89 0.10 -3.49 0.04 -1.26 0.30 135.00 133.46 3pcg s PRO 448 Ca -0.11 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 3pcg s PRO 448 Cb -0.03 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3pcg s PRO 448 CO 0.06 -0.29 0.34 1.67 0.04 0.00 0.00 177.00 178.82 3pcg s TRP 449 N -2.67 -0.12 -1.09 0.56 1.48 -0.74 -4.88 118.94 111.48 3pcg s TRP 449 Ca 0.58 -0.17 -0.19 0.00 -1.06 0.00 0.00 56.10 55.26 3pcg s TRP 449 Cb -0.10 0.16 0.11 0.00 -1.16 0.00 0.00 33.47 32.47 3pcg s TRP 449 CO 0.34 -0.62 1.41 1.03 -4.06 0.00 0.00 176.95 175.05 3pcg s ARG 450 N -3.49 3.79 0.00 3.25 0.52 -1.26 -4.35 118.95 117.41 3pcg s ARG 450 Ca 0.01 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.40 3pcg s ARG 450 Cb 0.02 -5.20 0.00 0.00 0.52 0.00 0.00 34.95 30.29 3pcg s ARG 450 CO -0.10 -1.99 0.00 -1.71 0.02 0.00 0.00 175.30 171.52 3pcg n ASN 451 N 7.37 0.00 -4.13 0.23 5.15 -1.26 -5.02 115.26 117.59 3pcg n ASN 451 Ca 0.35 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.03 3pcg n ASN 451 Cb 0.48 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.93 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 0.00 1.63 0.18 8.20 0.00 -1.26 -4.92 107.32 111.14 3pcg s GLY 452 Ca 0.00 -0.90 0.19 0.00 0.00 0.00 0.00 44.72 44.01 3pcg s GLY 452 CO 0.00 -0.12 1.59 -1.05 0.00 0.00 0.00 173.10 173.52 3pcg n PRO 453 N -4.29 0.12 -2.77 2.90 -0.02 -1.26 -3.70 135.00 125.98 3pcg n PRO 453 Ca 0.12 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3pcg n PRO 453 Cb 0.59 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.98 0.36 -4.76 2.55 5.15 -1.26 -5.10 115.26 110.22 3pcg n ASN 454 Ca 0.02 -2.79 -0.38 0.00 -0.60 0.00 0.00 54.58 50.83 3pcg n ASN 454 Cb 0.18 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 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 -2.46 6.70 -0.08 1.20 1.01 -1.24 -5.07 116.67 116.74 3pcg s ASP 455 Ca 0.28 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.39 3pcg s ASP 455 Cb 0.41 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 42.10 3pcg s ASP 455 CO -0.02 0.11 -0.09 0.26 0.21 0.00 0.00 175.17 175.65 3pcg s TRP 456 N 0.07 1.29 0.25 4.23 0.52 -1.26 -1.78 118.94 122.25 3pcg s TRP 456 Ca 0.24 -0.52 -0.30 0.00 0.02 0.00 0.00 56.10 55.55 3pcg s TRP 456 Cb -0.15 -1.03 -0.09 0.00 -1.15 0.00 0.00 33.47 31.05 3pcg s TRP 456 CO 0.11 -0.33 0.97 1.03 0.02 0.00 0.00 176.95 178.74 3pcg s ARG 457 N 1.08 4.82 0.70 4.98 1.81 0.15 -4.74 118.95 127.74 3pcg s ARG 457 Ca -0.07 1.55 -0.14 0.00 -1.72 0.00 0.00 55.73 55.35 3pcg s ARG 457 Cb -0.14 -3.26 0.02 0.00 -0.45 0.00 0.00 34.95 31.11 3pcg s ARG 457 CO -0.01 0.46 1.12 -2.14 -0.68 0.00 0.00 175.30 174.05 3pcg s PRO 458 N -1.21 2.54 0.23 3.54 0.02 -1.26 -2.48 135.00 136.38 3pcg s PRO 458 Ca 0.42 1.40 -0.32 0.00 0.02 0.00 0.00 61.00 62.52 3pcg s PRO 458 Cb -0.27 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.20 3pcg s PRO 458 CO 0.34 -1.46 1.51 0.00 -0.33 0.00 0.00 177.00 177.06 3pcg n ALA 459 N -2.75 1.56 -3.07 -1.55 0.00 -1.26 -4.75 120.51 108.69 3pcg n ALA 459 Ca 0.11 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 3pcg n ALA 459 Cb 0.52 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 0.30 0.04 -0.10 0.00 -3.43 -1.26 -3.99 115.29 106.85 3pcg s HIS 460 Ca 0.71 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 54.60 3pcg s HIS 460 Cb -0.62 0.23 0.01 0.00 -1.43 0.00 0.00 32.58 30.76 3pcg s HIS 460 CO 0.45 -0.82 -0.18 0.42 -2.00 0.00 0.00 174.74 172.61 3pcg s ILE 461 N -3.89 1.67 0.22 -5.38 1.01 -0.74 -4.59 121.20 109.50 3pcg s ILE 461 Ca 0.11 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 3pcg s ILE 461 Cb 0.01 -1.48 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 3pcg s ILE 461 CO -0.03 0.47 0.93 -1.00 0.00 0.00 0.00 174.94 175.31 3pcg s HIS 462 N 0.68 3.96 0.06 3.97 3.76 0.11 -0.76 115.29 127.07 3pcg s HIS 462 Ca -0.13 1.89 0.06 0.00 -0.15 0.00 0.00 55.06 56.73 3pcg s HIS 462 Cb -0.16 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.52 3pcg s HIS 462 CO 0.03 0.43 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.13 3pcg s PHE 463 N -1.03 1.41 -0.06 1.40 0.40 0.30 -2.10 117.98 118.30 3pcg s PHE 463 Ca 0.41 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3pcg s PHE 463 Cb -0.26 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.49 3pcg s PHE 463 CO 0.31 0.08 -0.05 0.20 0.70 0.00 0.00 175.22 176.47 3pcg s GLY 464 N -1.48 0.53 -0.06 4.36 0.00 0.17 -0.49 107.32 110.34 3pcg s GLY 464 Ca 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.61 3pcg s GLY 464 CO 0.02 0.55 -0.13 -0.42 0.00 0.00 0.00 173.10 173.12 3pcg s ILE 465 N 1.14 1.18 -0.08 0.90 1.09 0.39 -0.80 121.20 125.02 3pcg s ILE 465 Ca -0.07 -0.52 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 3pcg s ILE 465 Cb -0.14 -1.07 -0.13 0.00 -1.06 0.00 0.00 42.46 40.06 3pcg s ILE 465 CO -0.01 0.36 0.63 0.77 -0.10 0.00 0.00 174.94 176.59 3pcg h SER 466 N 6.86 -0.14 -3.28 3.58 4.64 -1.50 -1.74 113.55 121.97 3pcg h SER 466 Ca -0.31 -0.35 0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3pcg h SER 466 Cb 1.19 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3pcg h SER 466 CO 0.48 0.47 -0.03 0.61 -0.87 0.00 0.00 176.83 177.49 3pcg n GLY 467 N 1.03 -1.85 0.30 -0.77 0.00 -1.26 -2.75 105.19 99.88 3pcg n GLY 467 Ca -0.06 -1.33 0.19 0.00 0.00 0.00 0.00 46.02 44.81 3pcg n GLY 467 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcg h PRO 468 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.47 132.00 128.35 3pcg h PRO 468 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.96 3pcg h PRO 468 Cb 0.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 3pcg h PRO 468 CO 0.00 0.01 0.02 -1.13 -0.23 0.00 0.00 178.00 176.67 3pcg n SER 469 N -3.11 -1.67 0.20 1.44 3.41 -1.26 -3.52 113.62 109.11 3pcg n SER 469 Ca -0.01 -2.72 0.14 0.00 -0.26 0.00 0.00 58.87 56.03 3pcg n SER 469 Cb 0.23 2.95 0.52 0.00 -0.26 0.00 0.00 64.21 67.65 3pcg n SER 469 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3pcg h ILE 470 N 1.97 0.00 0.00 -1.33 3.07 -1.40 -2.78 117.51 117.04 3pcg h ILE 470 Ca -0.29 -0.47 -0.05 0.00 1.55 0.00 0.00 64.86 65.60 3pcg h ILE 470 Cb 1.17 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 39.09 3pcg h ILE 470 CO 0.38 0.00 -0.26 0.00 -1.05 0.00 0.00 178.15 177.22 3pcg h ALA 471 N 2.16 0.92 0.00 0.16 0.00 -1.81 -3.25 119.26 117.44 3pcg h ALA 471 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3pcg h ALA 471 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pcg h ALA 471 CO 0.00 0.33 -1.29 0.25 0.00 0.00 0.00 179.25 178.54 3pcg n THR 472 N -3.29 0.02 -1.70 0.00 -2.24 -1.06 -4.92 114.28 101.09 3pcg n THR 472 Ca 0.01 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 3pcg n THR 472 Cb 0.52 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.77 2.45 -3.93 -0.78 3.00 -1.11 -4.71 118.16 111.31 3pcg n LYS 473 Ca 0.01 0.88 -0.10 0.00 -0.00 0.00 0.00 58.31 59.10 3pcg n LYS 473 Cb 0.41 -2.66 -0.11 0.00 0.00 0.00 0.00 35.03 32.67 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 0.63 1.96 -0.03 3.14 2.96 -0.66 -5.02 118.68 121.67 3pcg s LEU 474 Ca 0.73 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 3pcg s LEU 474 Cb -0.58 0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 3pcg s LEU 474 CO 0.39 -0.28 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.28 3pcg s ILE 475 N -1.21 1.86 0.07 6.68 1.01 -1.26 -0.46 121.20 127.89 3pcg s ILE 475 Ca -0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 3pcg s ILE 475 Cb -0.08 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3pcg s ILE 475 CO -0.00 0.52 0.14 1.07 0.00 0.00 0.00 174.94 176.67 3pcg n THR 476 N 2.72 0.00 -3.80 2.92 5.66 0.36 -5.00 114.28 117.13 3pcg n THR 476 Ca -0.16 -0.22 -0.13 0.00 -3.05 0.00 0.00 64.05 60.49 3pcg n THR 476 Cb 0.52 0.19 -0.14 0.00 -1.55 0.00 0.00 70.33 69.36 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 -2.04 0.11 -0.11 1.09 -0.21 -1.26 -0.54 119.66 116.69 3pcg s GLN 477 Ca 0.04 0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.51 3pcg s GLN 477 Cb -0.01 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.92 3pcg s GLN 477 CO 0.03 -0.07 0.31 -1.17 -2.12 0.00 0.00 175.29 172.26 3pcg s LEU 478 N 0.47 4.33 0.23 2.90 0.20 0.06 -4.85 118.68 122.01 3pcg s LEU 478 Ca -0.03 0.63 0.09 0.00 0.69 0.00 0.00 54.13 55.51 3pcg s LEU 478 Cb -0.05 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 3pcg s LEU 478 CO -0.02 0.20 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.88 3pcg s TYR 479 N -0.16 2.66 -0.12 5.38 2.02 0.41 -1.79 117.35 125.74 3pcg s TYR 479 Ca 0.19 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.58 3pcg s TYR 479 Cb -0.14 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3pcg s TYR 479 CO 0.07 0.58 0.18 -0.06 -1.57 0.00 0.00 175.55 174.75 3pcg s PHE 480 N -2.07 3.58 0.15 2.71 0.40 -1.26 1.00 117.98 122.49 3pcg s PHE 480 Ca 0.29 0.56 -0.34 0.00 -0.60 0.00 0.00 56.93 56.83 3pcg s PHE 480 Cb -0.07 -2.04 -0.15 0.00 0.51 0.00 0.00 43.02 41.27 3pcg s PHE 480 CO 0.18 0.63 1.41 -1.91 0.70 0.00 0.00 175.22 176.23 3pcg n GLU 481 N 2.29 1.63 -0.48 0.44 2.13 -0.78 -1.71 120.64 124.16 3pcg n GLU 481 Ca -0.18 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.22 3pcg n GLU 481 Cb 0.54 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.00 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 2.71 1.84 3.67 8.31 0.00 -1.26 -5.00 105.19 115.47 3pcg n GLY 482 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3pcg n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pcg n ASP 483 N 0.00 3.72 0.13 1.61 -0.08 -0.70 -4.86 116.55 116.38 3pcg n ASP 483 Ca 0.00 0.96 0.13 0.00 -1.51 0.00 0.00 54.79 54.36 3pcg n ASP 483 Cb 0.00 -1.44 0.47 0.00 2.34 0.00 0.00 41.12 42.49 3pcg n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pcg h PRO 484 N 9.42 0.00 0.00 -0.67 0.13 -1.94 -2.95 132.00 135.98 3pcg h PRO 484 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3pcg h PRO 484 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3pcg h PRO 484 CO 0.94 0.00 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.32 3pcg h LEU 485 N 0.00 0.00 -0.44 1.56 3.38 -1.95 -3.36 115.31 114.50 3pcg h LEU 485 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3pcg h LEU 485 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 3pcg h LEU 485 CO 0.00 0.32 -0.35 0.40 0.09 0.00 0.00 178.44 178.89 3pcg h ILE 486 N 0.00 0.19 0.00 1.22 2.04 -1.90 -1.44 117.51 117.62 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 0.93 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3pcg h ILE 486 CO 0.04 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.74 3pcg h PRO 487 N -0.25 0.00 -0.00 2.37 0.13 -1.81 -2.63 132.00 129.80 3pcg h PRO 487 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3pcg h PRO 487 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3pcg h PRO 487 CO -0.58 0.00 -0.74 -1.33 -0.23 0.00 0.00 178.00 175.12 3pcg n MET 488 N -2.36 0.09 -2.47 0.86 2.81 -0.56 -4.93 117.12 110.57 3pcg n MET 488 Ca 0.00 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 3pcg n MET 488 Cb 0.15 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.14 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 8.60 0.00 -0.07 0.00 0.11 -1.90 0.38 132.00 139.12 3pcg h PRO 490 Ca -0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 3pcg h PRO 490 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3pcg h PRO 490 CO 1.01 0.02 -0.44 0.82 -0.21 0.00 0.00 178.00 179.19 3pcg h ILE 491 N 0.00 1.41 -0.44 4.15 2.04 -1.92 -2.46 117.51 120.29 3pcg h ILE 491 Ca -0.00 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.04 3pcg h ILE 491 Cb 0.03 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3pcg h ILE 491 CO 0.00 0.54 0.27 0.58 0.00 0.00 0.00 178.15 179.54 3pcg h VAL 492 N -0.05 1.07 0.00 1.67 2.07 -1.52 -1.94 116.25 117.55 3pcg h VAL 492 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3pcg h VAL 492 Cb 1.10 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3pcg h VAL 492 CO 0.09 0.10 0.00 0.29 0.02 0.00 0.00 177.57 178.07 3pcg n LYS 493 N -4.82 0.07 0.30 1.57 5.02 0.12 -1.57 118.16 118.86 3pcg n LYS 493 Ca 0.02 0.26 0.20 0.00 -2.02 0.00 0.00 58.31 56.77 3pcg n LYS 493 Cb 0.05 -1.50 0.93 0.00 -0.02 0.00 0.00 35.03 34.49 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 -3.53 4.39 4.64 -0.85 -3.38 113.55 114.82 3pcg h SER 494 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3pcg h SER 494 Cb 0.10 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.07 3pcg h SER 494 CO 0.00 0.01 0.24 -0.63 -0.87 0.00 0.00 176.83 175.58 3pcg s ILE 495 N -3.91 4.84 0.25 0.95 1.01 -0.61 -3.64 121.20 120.09 3pcg s ILE 495 Ca -0.02 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.43 3pcg s ILE 495 Cb 0.11 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3pcg s ILE 495 CO 0.49 -0.32 1.63 0.00 0.00 0.00 0.00 174.94 176.74 3pcg h ALA 496 N 8.39 0.95 -2.77 9.38 0.00 -1.85 -3.44 119.26 129.92 3pcg h ALA 496 Ca -0.26 -0.43 -0.62 0.00 0.00 0.00 0.00 54.91 53.60 3pcg h ALA 496 Cb 1.10 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 3pcg h ALA 496 CO 0.86 0.63 -0.23 1.21 0.00 0.00 0.00 179.25 181.71 3pcg s ASN 497 N -6.86 6.29 0.42 0.00 3.04 -1.26 -4.98 114.94 111.59 3pcg s ASN 497 Ca -0.06 0.34 0.13 0.00 0.04 0.00 0.00 52.86 53.31 3pcg s ASN 497 Cb 0.13 -2.21 0.99 0.00 -1.54 0.00 0.00 41.25 38.62 3pcg s ASN 497 CO 0.80 -0.15 1.96 1.55 -3.04 0.00 0.00 177.10 178.22 3pcg h PRO 498 N 7.96 0.45 -0.25 0.43 0.13 -2.00 0.11 132.00 138.83 3pcg h PRO 498 Ca -0.33 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3pcg h PRO 498 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3pcg h PRO 498 CO 0.66 0.30 -0.12 0.93 -0.23 0.00 0.00 178.00 179.53 3pcg h GLU 499 N 0.46 0.41 -0.39 0.86 3.07 -1.99 -2.40 114.58 114.60 3pcg h GLU 499 Ca 0.31 -0.11 -0.15 0.00 -0.50 0.00 0.00 59.36 58.91 3pcg h GLU 499 Cb 0.59 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 3pcg h GLU 499 CO -0.09 0.53 -0.35 0.00 -1.40 0.00 0.00 179.01 177.70 3pcg h ALA 500 N 1.50 0.56 -0.96 3.43 0.00 -1.15 -2.98 119.26 119.66 3pcg h ALA 500 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3pcg h ALA 500 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3pcg h ALA 500 CO 0.03 0.64 0.62 0.28 0.00 0.00 0.00 179.25 180.82 3pcg h VAL 501 N 0.74 1.25 -0.35 0.00 2.07 -1.19 -2.19 116.25 116.58 3pcg h VAL 501 Ca 0.07 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3pcg h VAL 501 Cb 0.94 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3pcg h VAL 501 CO 0.09 0.25 0.24 1.56 0.02 0.00 0.00 177.57 179.74 3pcg h GLN 502 N 1.31 0.10 0.00 1.57 1.08 -1.28 -0.04 115.11 117.86 3pcg h GLN 502 Ca 0.35 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3pcg h GLN 502 Cb -0.12 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 3pcg h GLN 502 CO -0.07 0.07 0.00 0.37 -0.95 0.00 0.00 178.83 178.25 3pcg h GLN 503 N 0.10 0.00 -0.02 1.46 4.15 -1.36 -2.58 115.11 116.87 3pcg h GLN 503 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3pcg h GLN 503 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3pcg h GLN 503 CO -0.02 0.00 -0.16 1.28 -1.93 0.00 0.00 178.83 178.01 3pcg n LEU 504 N -2.69 1.83 -4.57 -2.39 4.77 -0.03 -4.89 117.00 109.03 3pcg n LEU 504 Ca 0.01 -0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 3pcg n LEU 504 Cb 0.26 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3pcg n LEU 504 CO 0.23 0.32 0.30 -0.63 -1.33 0.00 0.00 177.39 176.28 3pcg s ILE 505 N -2.22 4.97 0.19 -0.08 1.01 -0.97 -0.45 121.20 123.64 3pcg s ILE 505 Ca 0.28 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 3pcg s ILE 505 Cb 0.20 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 3pcg s ILE 505 CO 0.42 -0.23 1.03 0.00 0.00 0.00 0.00 174.94 176.16 3pcg s ALA 506 N 2.52 3.34 -0.07 9.38 0.00 0.28 -4.87 121.76 132.34 3pcg s ALA 506 Ca 0.21 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 3pcg s ALA 506 Cb -0.15 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3pcg s ALA 506 CO 0.14 -0.07 0.25 0.15 0.00 0.00 0.00 175.76 176.23 3pcg s LYS 507 N -0.60 3.63 0.21 0.00 -0.14 -0.75 -1.86 119.74 120.24 3pcg s LYS 507 Ca 0.46 0.09 -0.32 0.00 -1.36 0.00 0.00 55.97 54.84 3pcg s LYS 507 Cb -0.28 -3.20 -0.12 0.00 -1.68 0.00 0.00 37.83 32.55 3pcg s LYS 507 CO 0.34 0.74 1.68 -0.11 -0.76 0.00 0.00 175.35 177.24 3pcg n LEU 508 N 1.90 3.88 -3.74 3.17 7.94 -1.26 -0.80 117.00 128.08 3pcg n LEU 508 Ca -0.17 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.52 3pcg n LEU 508 Cb 0.54 -1.55 -0.12 0.00 0.53 0.00 0.00 43.42 42.82 3pcg n LEU 508 CO 0.34 0.09 -0.19 -0.62 -1.11 0.00 0.00 177.39 175.90 3pcg s ASP 509 N 1.02 3.71 0.52 1.96 2.15 0.19 -4.84 116.67 121.39 3pcg s ASP 509 Ca 0.74 -3.11 0.27 0.00 0.43 0.00 0.00 52.55 50.88 3pcg s ASP 509 Cb -0.54 -1.19 1.45 0.00 -0.30 0.00 0.00 42.92 42.35 3pcg s ASP 509 CO 0.36 -0.19 2.07 0.24 -0.17 0.00 0.00 175.17 177.48 3pcg h MET 510 N 6.13 0.00 0.00 4.34 2.86 -1.92 -2.21 114.93 124.12 3pcg h MET 510 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3pcg h MET 510 Cb 0.87 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 3pcg h MET 510 CO 0.56 0.12 -0.07 -0.91 1.06 0.00 0.00 176.91 177.66 3pcg h ASN 511 N 0.00 0.00 -0.01 1.22 2.35 -1.93 -2.99 115.58 114.22 3pcg h ASN 511 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3pcg h ASN 511 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3pcg h ASN 511 CO 0.01 0.07 -0.45 -3.20 -1.65 0.00 0.00 177.43 172.21 3pcg n ASN 512 N -3.24 1.65 -4.78 5.81 5.15 -0.84 -5.00 115.26 114.02 3pcg n ASN 512 Ca -0.00 -1.33 -0.32 0.00 -0.60 0.00 0.00 54.58 52.33 3pcg n ASN 512 Cb 0.30 0.55 0.05 0.00 -0.53 0.00 0.00 39.78 40.15 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 -2.20 2.50 -0.44 5.20 0.00 -1.13 -4.77 121.76 120.93 3pcg s ALA 513 Ca 0.14 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3pcg s ALA 513 Cb 0.15 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3pcg s ALA 513 CO 0.51 -1.30 0.31 -0.80 0.00 0.00 0.00 175.76 174.47 3pcg s ASN 514 N -3.04 5.78 0.22 0.00 0.01 0.03 -4.99 114.94 112.96 3pcg s ASN 514 Ca 0.63 -1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 50.97 3pcg s ASN 514 Cb -0.18 -2.04 -0.16 0.00 0.41 0.00 0.00 41.25 39.28 3pcg s ASN 514 CO 0.47 -0.59 0.91 -2.65 -1.51 0.00 0.00 177.10 173.72 3pcg n PRO 515 N 5.00 0.84 -1.94 -0.60 -0.02 -1.26 -0.65 135.00 136.36 3pcg n PRO 515 Ca -0.11 0.30 -0.20 0.00 -2.02 0.00 0.00 63.50 61.47 3pcg n PRO 515 Cb 0.43 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.10 -1.58 0.01 -0.52 2.81 -1.26 -4.71 117.12 112.98 3pcg n MET 516 Ca 0.14 1.08 0.00 0.00 -1.81 0.00 0.00 57.70 57.11 3pcg n MET 516 Cb 0.27 -5.57 0.00 0.00 -0.71 0.00 0.00 33.22 27.20 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 -1.58 -0.04 -3.71 7.83 2.03 0.18 -5.16 116.55 116.10 3pcg n ASP 517 Ca -0.21 0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 3pcg n ASP 517 Cb 0.66 0.10 -0.07 0.00 -0.72 0.00 0.00 41.12 41.10 3pcg n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pcg s LEU 519 N -2.09 2.85 -0.01 0.00 1.43 -0.99 -0.79 118.68 119.09 3pcg s LEU 519 Ca -0.05 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3pcg s LEU 519 Cb -0.01 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3pcg s LEU 519 CO -0.03 -1.92 0.19 0.00 0.23 0.00 0.00 176.35 174.82 3pcg s ALA 520 N -3.35 -0.47 0.02 4.21 0.00 -1.26 -1.22 121.76 119.69 3pcg s ALA 520 Ca 0.65 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3pcg s ALA 520 Cb -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3pcg s ALA 520 CO 0.46 -0.21 -0.19 0.71 0.00 0.00 0.00 175.76 176.54 3pcg s TYR 521 N -1.17 1.64 -0.16 0.00 1.51 0.04 0.57 117.35 119.78 3pcg s TYR 521 Ca -0.12 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.56 3pcg s TYR 521 Cb -0.06 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 3pcg s TYR 521 CO 0.02 0.03 -0.05 0.50 -1.11 0.00 0.00 175.55 174.94 3pcg s ARG 522 N -0.85 3.59 -0.24 -0.62 6.06 0.02 -1.33 118.95 125.58 3pcg s ARG 522 Ca 0.06 -0.56 -0.03 0.00 -2.50 0.00 0.00 55.73 52.70 3pcg s ARG 522 Cb -0.08 -2.90 0.08 0.00 0.06 0.00 0.00 34.95 32.12 3pcg s ARG 522 CO 0.01 0.17 0.09 0.12 -2.50 0.00 0.00 175.30 173.18 3pcg s PHE 523 N 0.55 0.68 0.11 5.12 5.36 0.78 -1.81 117.98 128.77 3pcg s PHE 523 Ca -0.04 -0.87 -0.13 0.00 -0.96 0.00 0.00 56.93 54.93 3pcg s PHE 523 Cb -0.15 -1.01 -0.06 0.00 -0.34 0.00 0.00 43.02 41.46 3pcg s PHE 523 CO 0.03 -0.70 0.50 -0.51 -1.46 0.00 0.00 175.22 173.07 3pcg s ASP 524 N 1.97 6.78 -0.05 6.13 1.01 -1.26 -3.93 116.67 127.32 3pcg s ASP 524 Ca 0.05 1.00 0.06 0.00 0.71 0.00 0.00 52.55 54.37 3pcg s ASP 524 Cb -0.16 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 3pcg s ASP 524 CO -0.21 0.15 -0.25 -0.63 0.21 0.00 0.00 175.17 174.44 3pcg s ILE 525 N -1.40 2.03 -0.22 0.77 1.01 0.12 -4.93 121.20 118.57 3pcg s ILE 525 Ca 0.35 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3pcg s ILE 525 Cb -0.15 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3pcg s ILE 525 CO 0.18 0.56 -0.10 -0.69 0.00 0.00 0.00 174.94 174.89 3pcg s VAL 526 N -0.21 2.74 0.42 2.92 1.01 -1.25 -0.71 120.40 125.32 3pcg s VAL 526 Ca -0.02 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3pcg s VAL 526 Cb -0.13 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3pcg s VAL 526 CO 0.03 0.38 0.59 -0.76 0.00 0.00 0.00 175.10 175.34 3pcg s LEU 527 N 1.36 3.68 0.28 3.92 1.43 0.73 -4.93 118.68 125.15 3pcg s LEU 527 Ca 0.03 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 3pcg s LEU 527 Cb -0.15 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 43.15 3pcg s LEU 527 CO -0.07 -0.73 1.24 0.54 0.23 0.00 0.00 176.35 177.57 3pcg n ARG 528 N -1.91 1.83 -1.82 1.70 1.74 -1.26 -1.57 116.66 115.37 3pcg n ARG 528 Ca 0.05 0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 57.36 3pcg n ARG 528 Cb 0.59 -2.19 -0.01 0.00 -1.02 0.00 0.00 32.46 29.83 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 -0.17 2.67 -0.16 -0.13 0.00 -1.26 -4.34 107.32 103.93 3pcg s GLY 529 Ca 0.61 1.55 -0.02 0.00 0.00 0.00 0.00 44.72 46.87 3pcg s GLY 529 CO 0.57 2.34 -0.08 1.62 0.00 0.00 0.00 173.10 177.55 3pcg s GLN 530 N -1.53 3.45 0.16 2.90 0.74 -1.26 -0.78 119.66 123.33 3pcg s GLN 530 Ca 0.56 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 55.37 3pcg s GLN 530 Cb -0.46 -2.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3pcg s GLN 530 CO 0.57 0.10 -0.03 -0.98 -0.55 0.00 0.00 175.29 174.40 3pcg s ARG 531 N 0.68 1.07 0.59 1.67 1.70 0.01 -4.97 118.95 119.71 3pcg s ARG 531 Ca -0.04 -1.50 -0.14 0.00 -0.47 0.00 0.00 55.73 53.58 3pcg s ARG 531 Cb -0.15 -0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 3pcg s ARG 531 CO 0.02 -0.06 1.03 -1.59 -1.08 0.00 0.00 175.30 173.62 3pcg s LYS 532 N -3.86 3.47 0.59 3.89 -2.85 -1.26 -0.48 119.74 119.23 3pcg s LYS 532 Ca 0.21 1.02 -0.15 0.00 -1.00 0.00 0.00 55.97 56.04 3pcg s LYS 532 Cb 0.05 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.72 3pcg s LYS 532 CO 0.02 -0.67 1.05 0.95 0.10 0.00 0.00 175.35 176.79 3pcg s THR 533 N -2.71 3.95 -0.06 3.79 -4.23 -1.25 -4.72 115.64 110.42 3pcg s THR 533 Ca 0.60 0.90 -0.13 0.00 -1.18 0.00 0.00 61.69 61.88 3pcg s THR 533 Cb -0.13 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.29 3pcg s THR 533 CO 0.41 -0.57 0.31 -1.38 -0.54 0.00 0.00 174.62 172.85 3pcg s HIS 534 N -2.53 -0.25 -1.58 3.99 -3.43 -1.26 -4.93 115.29 105.30 3pcg s HIS 534 Ca 0.62 0.50 -0.17 0.00 -0.80 0.00 0.00 55.06 55.21 3pcg s HIS 534 Cb -0.15 0.10 0.17 0.00 -1.43 0.00 0.00 32.58 31.28 3pcg s HIS 534 CO 0.38 -0.30 0.43 1.19 -2.00 0.00 0.00 174.74 174.44 3pcg n PHE 535 N 1.94 -1.01 1.76 0.38 3.72 -1.26 -5.24 117.46 117.75 3pcg n PHE 535 Ca -0.18 0.58 0.14 0.00 -0.05 0.00 0.00 57.45 57.94 3pcg n PHE 535 Cb 0.57 -1.74 0.84 0.00 -0.94 0.00 0.00 39.48 38.21 3pcg n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10