#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcj s ALA 302 N 0.00 2.75 0.09 0.55 0.00 -1.26 -5.07 121.76 118.82 3pcj s ALA 302 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3pcj s ALA 302 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3pcj s ALA 302 CO 0.00 -0.80 -0.12 -0.65 0.00 0.00 0.00 175.76 174.18 3pcj s GLN 303 N -4.13 0.85 -0.94 0.00 -0.21 -1.26 -5.09 119.66 108.88 3pcj s GLN 303 Ca 0.63 -1.07 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 3pcj s GLN 303 Cb -0.16 -0.72 0.07 0.00 1.00 0.00 0.00 33.01 33.20 3pcj s GLN 303 CO 0.38 0.14 1.33 0.34 -2.12 0.00 0.00 175.29 175.36 3pcj s ASP 304 N -2.11 6.46 0.00 5.90 2.15 -1.26 -4.73 116.67 123.09 3pcj s ASP 304 Ca 0.02 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.58 3pcj s ASP 304 Cb -0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3pcj s ASP 304 CO 0.02 -1.45 0.50 -0.46 -0.17 0.00 0.00 175.17 173.61 3pcj n ASN 305 N 8.38 0.79 -4.14 -0.34 0.23 -1.26 -5.02 115.26 113.90 3pcj n ASN 305 Ca 0.25 -1.25 -0.13 0.00 -0.53 0.00 0.00 54.58 52.92 3pcj n ASN 305 Cb 0.50 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 3pcj n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pcj s SER 306 N -0.25 1.21 0.10 0.53 0.01 -1.26 -3.65 113.70 110.39 3pcj s SER 306 Ca 0.00 -0.76 0.10 0.00 1.31 0.00 0.00 55.95 56.60 3pcj s SER 306 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 3pcj s SER 306 CO 0.00 -0.28 -0.26 -0.13 0.41 0.00 0.00 173.24 172.99 3pcj s ARG 307 N -2.56 1.57 -0.08 12.44 1.81 0.30 -4.84 118.95 127.58 3pcj s ARG 307 Ca 0.01 -1.26 0.04 0.00 -1.72 0.00 0.00 55.73 52.80 3pcj s ARG 307 Cb -0.04 -1.95 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 3pcj s ARG 307 CO -0.01 0.47 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.82 3pcj s PHE 308 N -1.00 2.60 0.21 -0.53 0.40 -1.26 -0.98 117.98 117.42 3pcj s PHE 308 Ca 0.14 -0.69 -0.32 0.00 -0.60 0.00 0.00 56.93 55.46 3pcj s PHE 308 Cb -0.10 -1.69 -0.14 0.00 0.51 0.00 0.00 43.02 41.59 3pcj s PHE 308 CO 0.05 -0.20 1.32 0.28 0.70 0.00 0.00 175.22 177.37 3pcj n VAL 309 N 3.13 0.90 -1.62 -0.44 0.31 0.42 -4.88 118.33 116.14 3pcj n VAL 309 Ca -0.18 -0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 63.55 3pcj n VAL 309 Cb 0.52 -1.23 0.05 0.00 -0.91 0.00 0.00 33.84 32.27 3pcj n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3pcj n ILE 310 N 1.79 3.65 -2.50 2.52 2.08 -1.26 -4.70 119.36 120.93 3pcj n ILE 310 Ca 0.13 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.53 3pcj n ILE 310 Cb 0.29 -1.19 -0.04 0.00 -0.75 0.00 0.00 39.64 37.95 3pcj n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pcj s ARG 311 N -2.73 4.62 -0.53 0.38 0.52 -1.26 -5.00 118.95 114.94 3pcj s ARG 311 Ca 0.75 1.74 -0.18 0.00 -0.52 0.00 0.00 55.73 57.52 3pcj s ARG 311 Cb -0.42 -3.25 0.08 0.00 0.52 0.00 0.00 34.95 31.88 3pcj s ARG 311 CO 0.48 0.13 0.62 0.34 0.02 0.00 0.00 175.30 176.88 3pcj s ASP 312 N -0.39 6.20 0.00 0.23 2.15 -1.26 -4.90 116.67 118.70 3pcj s ASP 312 Ca 0.48 -1.20 0.17 0.00 0.43 0.00 0.00 52.55 52.42 3pcj s ASP 312 Cb -0.30 -2.28 0.99 0.00 -0.30 0.00 0.00 42.92 41.03 3pcj s ASP 312 CO 0.37 -0.94 1.55 0.54 -0.17 0.00 0.00 175.17 176.51 3pcj n ARG 313 N 6.05 0.87 -0.02 4.34 1.74 -1.26 -1.93 116.66 126.44 3pcj n ARG 313 Ca -0.09 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.07 3pcj n ARG 313 Cb 0.44 -1.30 -0.16 0.00 -1.02 0.00 0.00 32.46 30.42 3pcj n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pcj n ASN 314 N -0.80 0.03 -0.05 0.55 3.02 -1.26 -4.40 115.26 112.34 3pcj n ASN 314 Ca 0.12 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 3pcj n ASN 314 Cb 0.06 1.79 -0.11 0.00 -0.61 0.00 0.00 39.78 40.90 3pcj n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pcj h TRP 315 N 0.00 -0.01 -4.24 3.10 2.91 -1.80 -3.44 115.95 112.47 3pcj h TRP 315 Ca -0.09 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.42 3pcj h TRP 315 Cb 1.21 0.00 0.10 0.00 -0.51 0.00 0.00 29.16 29.95 3pcj h TRP 315 CO 0.00 0.82 0.36 -1.01 -1.03 0.00 0.00 178.44 177.58 3pcj s HIS 316 N -2.52 2.79 0.70 2.65 3.76 -1.10 -4.74 115.29 116.83 3pcj s HIS 316 Ca -0.17 1.52 -0.16 0.00 -0.15 0.00 0.00 55.06 56.11 3pcj s HIS 316 Cb -0.02 -3.06 0.02 0.00 1.11 0.00 0.00 32.58 30.63 3pcj s HIS 316 CO 0.63 -1.48 1.22 -1.25 -0.85 0.00 0.00 174.74 173.01 3pcj s PRO 317 N -4.37 2.27 0.70 8.40 0.04 -1.26 -4.82 135.00 135.96 3pcj s PRO 317 Ca 0.64 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 63.41 3pcj s PRO 317 Cb -0.18 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.56 3pcj s PRO 317 CO 0.45 -1.75 1.06 0.15 0.04 0.00 0.00 177.00 176.95 3pcj s LYS 318 N -3.76 2.52 0.00 4.56 -0.14 -1.25 -4.96 119.74 116.71 3pcj s LYS 318 Ca 0.76 0.13 -0.25 0.00 -1.36 0.00 0.00 55.97 55.25 3pcj s LYS 318 Cb -0.31 -2.09 -0.19 0.00 -1.68 0.00 0.00 37.83 33.56 3pcj s LYS 318 CO 0.43 -1.14 1.36 0.00 -0.76 0.00 0.00 175.35 175.24 3pcj h ALA 319 N -0.63 -0.02 -2.42 5.17 0.00 -1.95 -3.40 119.26 116.00 3pcj h ALA 319 Ca -0.45 -0.19 -0.73 0.00 0.00 0.00 0.00 54.91 53.54 3pcj h ALA 319 Cb 1.28 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 3pcj h ALA 319 CO 0.63 -0.32 -0.39 -1.17 0.00 0.00 0.00 179.25 178.00 3pcj s LEU 320 N -9.43 5.33 -0.47 0.00 2.96 -1.26 -4.78 118.68 111.03 3pcj s LEU 320 Ca -0.15 -1.09 0.04 0.00 -0.22 0.00 0.00 54.13 52.71 3pcj s LEU 320 Cb 0.02 -2.17 0.16 0.00 0.50 0.00 0.00 46.19 44.71 3pcj s LEU 320 CO 0.66 -0.54 0.35 0.42 -1.32 0.00 0.00 176.35 175.93 3pcj s THR 321 N 1.66 0.97 0.62 3.68 -4.23 -1.26 -5.04 115.64 112.04 3pcj s THR 321 Ca 0.05 -2.91 0.27 0.00 -1.18 0.00 0.00 61.69 57.92 3pcj s THR 321 Cb -0.21 -1.66 0.32 0.00 1.34 0.00 0.00 72.50 72.29 3pcj s THR 321 CO 0.08 -1.14 1.81 1.55 -0.54 0.00 0.00 174.62 176.39 3pcj h PRO 322 N 5.80 0.00 0.00 3.99 0.13 -1.93 -0.50 132.00 139.50 3pcj h PRO 322 Ca 0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 3pcj h PRO 322 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3pcj h PRO 322 CO 0.45 0.00 -0.23 -0.44 -0.23 0.00 0.00 178.00 177.54 3pcj h ASP 323 N 0.00 0.00 -3.13 1.44 3.32 -1.96 -3.21 116.42 112.88 3pcj h ASP 323 Ca 0.13 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.42 3pcj h ASP 323 Cb 1.14 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.45 3pcj h ASP 323 CO -0.00 0.23 0.65 -0.47 -1.72 0.00 0.00 179.24 177.93 3pcj s TYR 324 N -4.11 3.82 0.33 4.55 5.04 -0.19 -4.84 117.35 121.94 3pcj s TYR 324 Ca -0.02 -2.23 0.07 0.00 -2.44 0.00 0.00 57.07 52.45 3pcj s TYR 324 Cb 0.13 -4.01 0.93 0.00 0.35 0.00 0.00 41.96 39.36 3pcj s TYR 324 CO 0.65 -1.14 1.58 0.87 -1.34 0.00 0.00 175.55 176.17 3pcj h LYS 325 N 7.31 0.02 0.00 4.97 1.57 -1.77 -0.81 116.57 127.86 3pcj h LYS 325 Ca 0.19 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3pcj h LYS 325 Cb 0.93 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 3pcj h LYS 325 CO 1.03 0.01 -0.07 1.15 -0.57 0.00 0.00 179.45 181.00 3pcj h THR 326 N 0.02 0.41 0.00 -0.16 2.02 -1.91 -2.31 112.91 110.98 3pcj h THR 326 Ca 0.67 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3pcj h THR 326 Cb 1.52 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3pcj h THR 326 CO -0.86 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 173.56 3pcj n SER 327 N -3.52 0.62 0.31 4.18 3.41 -0.31 -3.19 113.62 115.13 3pcj n SER 327 Ca -0.02 0.62 -0.17 0.00 -0.26 0.00 0.00 58.87 59.04 3pcj n SER 327 Cb 0.20 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.30 3pcj n SER 327 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3pcj h ILE 328 N 0.00 0.36 -0.00 -1.33 2.04 -1.55 -3.02 117.51 114.01 3pcj h ILE 328 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 328 Cb 0.46 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3pcj h ILE 328 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.77 3pcj n ALA 329 N -2.51 3.32 -1.39 1.87 0.00 -1.25 -4.14 120.51 116.42 3pcj n ALA 329 Ca -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 3pcj n ALA 329 Cb 0.35 -1.14 0.20 0.00 0.00 0.00 0.00 19.45 18.86 3pcj n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pcj n ARG 330 N -1.15 1.99 -4.71 0.00 1.74 -1.18 -4.96 116.66 108.39 3pcj n ARG 330 Ca 0.08 -3.14 -0.25 0.00 -0.77 0.00 0.00 57.85 53.78 3pcj n ARG 330 Cb 0.34 -1.85 -0.16 0.00 -1.02 0.00 0.00 32.46 29.77 3pcj n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pcj s SER 331 N -2.38 1.92 0.33 0.55 1.04 -1.15 -4.95 113.70 109.06 3pcj s SER 331 Ca 0.45 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 3pcj s SER 331 Cb 0.40 -0.62 -0.11 0.00 0.10 0.00 0.00 66.02 65.80 3pcj s SER 331 CO 0.01 0.11 1.46 -2.16 0.98 0.00 0.00 173.24 173.65 3pcj s PRO 332 N 0.21 4.20 0.17 4.02 0.04 -1.26 -4.94 135.00 137.44 3pcj s PRO 332 Ca -0.06 2.45 0.20 0.00 0.04 0.00 0.00 61.00 63.62 3pcj s PRO 332 Cb -0.12 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3pcj s PRO 332 CO 0.02 -0.46 1.01 0.00 0.04 0.00 0.00 177.00 177.62 3pcj h ARG 333 N 3.84 0.00 -6.85 4.56 2.47 -1.99 -3.47 114.38 112.93 3pcj h ARG 333 Ca -0.49 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 57.76 3pcj h ARG 333 Cb 1.23 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.58 3pcj h ARG 333 CO 0.70 0.13 0.02 -0.65 0.56 0.00 0.00 179.97 180.73 3pcj s GLN 334 N -3.17 3.17 0.37 0.04 -1.52 -1.26 -5.05 119.66 112.24 3pcj s GLN 334 Ca -0.01 -0.18 -0.25 0.00 -1.95 0.00 0.00 55.36 52.98 3pcj s GLN 334 Cb 0.09 -2.44 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 3pcj s GLN 334 CO 0.79 -0.34 1.00 0.00 -0.25 0.00 0.00 175.29 176.49 3pcj s ALA 335 N -2.70 3.14 0.64 6.09 0.00 -1.26 -5.00 121.76 122.68 3pcj s ALA 335 Ca 0.49 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 3pcj s ALA 335 Cb -0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3pcj s ALA 335 CO 0.41 -0.02 1.27 -0.51 0.00 0.00 0.00 175.76 176.91 3pcj s LEU 336 N -2.43 3.57 -0.35 0.00 1.43 -1.26 -4.98 118.68 114.66 3pcj s LEU 336 Ca 0.55 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 56.08 3pcj s LEU 336 Cb -0.19 -4.61 -0.00 0.00 0.03 0.00 0.00 46.19 41.41 3pcj s LEU 336 CO 0.25 -1.95 0.22 -0.69 0.23 0.00 0.00 176.35 174.40 3pcj s VAL 337 N -1.49 4.97 0.31 -1.59 1.01 -1.26 -5.07 120.40 117.27 3pcj s VAL 337 Ca 0.81 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 3pcj s VAL 337 Cb -0.35 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 3pcj s VAL 337 CO 0.39 -0.06 1.13 -0.44 0.00 0.00 0.00 175.10 176.12 3pcj s SER 338 N 1.66 7.07 0.02 3.32 0.01 -1.26 -5.05 113.70 119.47 3pcj s SER 338 Ca 0.05 2.32 0.01 0.00 1.31 0.00 0.00 55.95 59.64 3pcj s SER 338 Cb -0.18 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 3pcj s SER 338 CO 0.09 -0.28 -0.04 0.27 0.41 0.00 0.00 173.24 173.68 3pcj s ILE 339 N -1.23 0.26 0.80 1.44 -4.36 -1.26 -5.15 121.20 111.71 3pcj s ILE 339 Ca 0.47 -0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 60.14 3pcj s ILE 339 Cb -0.32 -0.31 0.08 0.00 1.25 0.00 0.00 42.46 43.15 3pcj s ILE 339 CO 0.41 -0.23 1.13 -2.16 0.24 0.00 0.00 174.94 174.34 3pcj s PRO 340 N -0.89 1.87 0.11 0.37 0.04 -1.26 -4.99 135.00 130.26 3pcj s PRO 340 Ca -0.07 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.14 3pcj s PRO 340 Cb -0.06 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3pcj s PRO 340 CO -0.00 -1.97 0.85 -0.65 0.04 0.00 0.00 177.00 175.26 3pcj s GLN 341 N -4.53 4.61 0.43 4.56 -0.21 -1.26 -5.02 119.66 118.23 3pcj s GLN 341 Ca 0.66 1.25 0.04 0.00 0.02 0.00 0.00 55.36 57.33 3pcj s GLN 341 Cb -0.22 -3.34 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 3pcj s GLN 341 CO 0.53 0.34 0.16 -1.13 -2.12 0.00 0.00 175.29 173.07 3pcj n SER 342 N 2.43 1.22 0.20 5.90 3.41 -1.26 -5.00 113.62 120.53 3pcj n SER 342 Ca -0.02 -3.28 0.15 0.00 -0.26 0.00 0.00 58.87 55.46 3pcj n SER 342 Cb 0.49 1.09 0.78 0.00 -0.26 0.00 0.00 64.21 66.31 3pcj n SER 342 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3pcj h ILE 343 N 1.71 0.65 -0.68 -1.33 2.10 -1.96 -0.81 117.51 117.20 3pcj h ILE 343 Ca -0.33 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 3pcj h ILE 343 Cb 1.28 0.89 -0.03 0.00 -1.09 0.00 0.00 36.82 37.86 3pcj h ILE 343 CO 0.53 0.00 0.38 0.28 -1.08 0.00 0.00 178.15 178.26 3pcj h SER 344 N 0.00 0.83 0.14 2.19 0.02 -1.96 -3.15 113.55 111.62 3pcj h SER 344 Ca 0.08 -0.06 -0.36 0.00 -0.84 0.00 0.00 61.79 60.61 3pcj h SER 344 Cb 0.36 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3pcj h SER 344 CO -0.00 0.66 -2.19 -0.62 -1.14 0.00 0.00 176.83 173.54 3pcj n GLU 345 N -4.38 0.68 -0.09 3.45 4.71 -0.43 -4.49 120.64 120.09 3pcj n GLU 345 Ca 0.07 0.15 0.10 0.00 -0.01 0.00 0.00 57.16 57.47 3pcj n GLU 345 Cb 0.09 -1.62 0.35 0.00 -1.01 0.00 0.00 31.44 29.25 3pcj n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pcj n THR 346 N -3.08 0.25 -4.47 2.62 -2.24 -0.49 -2.95 114.28 103.92 3pcj n THR 346 Ca -0.32 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 3pcj n THR 346 Cb 1.07 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 3pcj n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pcj s THR 347 N -1.75 1.87 0.09 4.28 -4.23 -1.19 -4.68 115.64 110.03 3pcj s THR 347 Ca 0.31 -2.16 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 3pcj s THR 347 Cb 0.17 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.59 3pcj s THR 347 CO 0.25 -0.27 1.15 -0.83 -0.54 0.00 0.00 174.62 174.38 3pcj s GLY 348 N -3.50 -0.06 0.44 3.99 0.00 -1.24 -1.78 107.32 105.17 3pcj s GLY 348 Ca 0.30 -0.04 -0.23 0.00 0.00 0.00 0.00 44.72 44.75 3pcj s GLY 348 CO 0.13 3.09 1.11 2.56 0.00 0.00 0.00 173.10 179.99 3pcj s PRO 349 N -2.23 3.92 -0.23 2.90 0.04 -1.26 -4.84 135.00 133.31 3pcj s PRO 349 Ca 0.23 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 3pcj s PRO 349 Cb -0.01 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3pcj s PRO 349 CO 0.02 -0.38 -0.01 1.21 0.04 0.00 0.00 177.00 177.88 3pcj s ASN 350 N -1.47 4.54 -0.10 6.66 3.84 -1.26 -4.89 114.94 122.26 3pcj s ASN 350 Ca 0.61 -0.34 0.15 0.00 0.21 0.00 0.00 52.86 53.50 3pcj s ASN 350 Cb -0.25 -1.79 0.61 0.00 -0.55 0.00 0.00 41.25 39.27 3pcj s ASN 350 CO 0.31 -0.02 1.50 0.49 -2.79 0.00 0.00 177.10 176.59 3pcj n PHE 351 N 4.81 1.28 -0.21 0.43 3.72 -1.26 -4.59 117.46 121.63 3pcj n PHE 351 Ca -0.18 -0.51 0.20 0.00 -0.05 0.00 0.00 57.45 56.92 3pcj n PHE 351 Cb 0.51 -0.22 0.55 0.00 -0.94 0.00 0.00 39.48 39.38 3pcj n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pcj h SER 352 N 3.48 0.33 -0.67 4.37 0.02 -1.95 -1.91 113.55 117.21 3pcj h SER 352 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3pcj h SER 352 Cb 1.27 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3pcj h SER 352 CO 0.20 0.14 0.00 1.41 -1.14 0.00 0.00 176.83 177.44 3pcj n HIS 353 N -4.47 1.09 -2.34 3.45 8.25 -1.26 -4.94 115.22 115.00 3pcj n HIS 353 Ca 0.18 -0.54 -0.39 0.00 -0.26 0.00 0.00 57.72 56.71 3pcj n HIS 353 Cb 0.71 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 3pcj n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pcj s LEU 354 N -1.28 4.29 -0.60 2.41 2.96 -0.72 -4.95 118.68 120.79 3pcj s LEU 354 Ca 0.48 2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 56.50 3pcj s LEU 354 Cb 0.27 -3.92 0.07 0.00 0.50 0.00 0.00 46.19 43.11 3pcj s LEU 354 CO 0.29 -0.52 0.87 -0.83 -1.32 0.00 0.00 176.35 174.83 3pcj s GLY 355 N -1.06 1.50 0.09 7.98 0.00 -1.26 -5.02 107.32 109.54 3pcj s GLY 355 Ca 0.54 -1.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.32 3pcj s GLY 355 CO 0.39 1.90 0.63 -1.36 0.00 0.00 0.00 173.10 174.67 3pcj s PHE 356 N 3.62 3.82 0.76 1.90 0.08 -1.26 -5.07 117.98 121.82 3pcj s PHE 356 Ca 0.22 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.52 3pcj s PHE 356 Cb -0.17 -2.60 0.05 0.00 -0.57 0.00 0.00 43.02 39.73 3pcj s PHE 356 CO 0.12 0.53 1.08 0.20 -0.10 0.00 0.00 175.22 177.05 3pcj s GLY 357 N -0.95 1.66 0.55 4.36 0.00 -1.26 -4.94 107.32 106.74 3pcj s GLY 357 Ca 0.31 0.14 0.23 0.00 0.00 0.00 0.00 44.72 45.41 3pcj s GLY 357 CO 0.21 0.50 2.13 0.00 0.00 0.00 0.00 173.10 175.94 3pcj h ALA 358 N -1.05 1.95 -0.12 3.20 0.00 -2.02 -2.71 119.26 118.52 3pcj h ALA 358 Ca -0.44 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3pcj h ALA 358 Cb 1.23 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 3pcj h ALA 358 CO 0.54 -0.18 -0.69 0.72 0.00 0.00 0.00 179.25 179.64 3pcj n HIS 359 N -4.22 0.41 0.25 0.00 8.25 -1.26 -4.82 115.22 113.83 3pcj n HIS 359 Ca 0.00 -1.39 0.08 0.00 -0.26 0.00 0.00 57.72 56.15 3pcj n HIS 359 Cb 0.23 -0.24 0.62 0.00 1.12 0.00 0.00 29.99 31.72 3pcj n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pcj h ASP 360 N 1.23 0.00 -0.42 0.41 5.19 -1.76 -2.14 116.42 118.93 3pcj h ASP 360 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3pcj h ASP 360 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3pcj h ASP 360 CO 0.13 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.36 3pcj n HIS 361 N -4.20 0.55 -3.84 4.55 1.44 -1.15 -1.60 115.22 110.97 3pcj n HIS 361 Ca -0.03 -0.33 -0.33 0.00 -2.01 0.00 0.00 57.72 55.02 3pcj n HIS 361 Cb 0.19 -0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.18 3pcj n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pcj s ASP 362 N -1.22 4.82 0.00 4.39 -1.08 -0.80 -1.46 116.67 121.31 3pcj s ASP 362 Ca 0.35 -2.82 0.12 0.00 -0.52 0.00 0.00 52.55 49.69 3pcj s ASP 362 Cb 0.20 -1.75 0.64 0.00 -1.46 0.00 0.00 42.92 40.55 3pcj s ASP 362 CO 0.27 -0.32 1.30 0.18 0.52 0.00 0.00 175.17 177.12 3pcj n LEU 363 N 3.45 0.00 0.04 -1.34 4.32 0.15 -1.13 117.00 122.49 3pcj n LEU 363 Ca 0.06 0.26 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 3pcj n LEU 363 Cb 0.36 -0.26 -0.13 0.00 -1.62 0.00 0.00 43.42 41.76 3pcj n LEU 363 CO 0.33 -0.16 -0.13 -0.07 -1.22 0.00 0.00 177.39 176.14 3pcj h LEU 364 N 0.00 0.09 0.00 2.23 4.07 -1.91 -3.41 115.31 116.38 3pcj h LEU 364 Ca 0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 3pcj h LEU 364 Cb 0.11 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3pcj h LEU 364 CO 0.00 1.10 -1.47 0.18 -1.08 0.00 0.00 178.44 177.17 3pcj n LEU 365 N -3.30 0.00 0.00 1.67 4.77 -0.72 -4.53 117.00 114.90 3pcj n LEU 365 Ca -0.08 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3pcj n LEU 365 Cb 0.99 0.07 0.35 0.00 -2.33 0.00 0.00 43.42 42.51 3pcj n LEU 365 CO 0.47 0.07 0.59 -0.46 -1.33 0.00 0.00 177.39 176.74 3pcj n ASN 366 N -1.99 0.00 0.07 -1.43 0.23 -0.28 -5.07 115.26 106.79 3pcj n ASN 366 Ca -0.06 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 3pcj n ASN 366 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3pcj n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pcj n PHE 367 N -0.81 -0.92 -0.34 -2.53 7.35 -1.26 -4.95 117.46 114.00 3pcj n PHE 367 Ca 0.09 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3pcj n PHE 367 Cb 0.04 0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.15 3pcj n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pcj n GLY 371 N 2.44 0.00 3.77 7.13 0.00 -1.26 -4.36 105.19 112.90 3pcj n GLY 371 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3pcj n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pcj s LEU 372 N -2.68 3.97 0.73 0.99 2.96 -1.26 -4.86 118.68 118.53 3pcj s LEU 372 Ca 0.00 0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 54.04 3pcj s LEU 372 Cb 0.00 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.78 3pcj s LEU 372 CO 0.00 0.37 1.20 -2.84 -1.32 0.00 0.00 176.35 173.76 3pcj s PRO 373 N -0.80 2.15 -0.17 0.98 0.02 -1.26 -4.82 135.00 131.11 3pcj s PRO 373 Ca 0.13 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 3pcj s PRO 373 Cb -0.12 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3pcj s PRO 373 CO 0.03 -1.82 0.23 0.42 -0.33 0.00 0.00 177.00 175.53 3pcj s ILE 374 N -2.03 5.35 -5.00 2.83 1.01 -1.26 -5.00 121.20 117.09 3pcj s ILE 374 Ca 0.73 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3pcj s ILE 374 Cb -0.28 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3pcj s ILE 374 CO 0.45 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.42 3pcj n GLY 375 N 3.35 0.60 3.67 6.18 0.00 -1.26 -4.36 105.19 113.37 3pcj n GLY 375 Ca -0.14 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3pcj n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcj s GLU 376 N -1.18 4.30 -0.05 1.61 2.02 -1.26 -4.90 118.70 119.24 3pcj s GLU 376 Ca 0.00 1.43 -0.30 0.00 0.02 0.00 0.00 54.97 56.13 3pcj s GLU 376 Cb 0.00 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 3pcj s GLU 376 CO 0.00 -0.55 1.06 1.03 0.02 0.00 0.00 175.26 176.82 3pcj s ARG 377 N 2.87 4.44 0.04 1.61 0.52 -1.26 -0.40 118.95 126.77 3pcj s ARG 377 Ca 0.47 1.50 -0.09 0.00 -0.52 0.00 0.00 55.73 57.10 3pcj s ARG 377 Cb -0.17 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3pcj s ARG 377 CO 0.11 -0.28 0.18 0.96 0.02 0.00 0.00 175.30 176.30 3pcj s ILE 378 N 1.73 0.11 -0.13 1.52 -4.36 -0.13 -2.23 121.20 117.71 3pcj s ILE 378 Ca 0.52 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.97 3pcj s ILE 378 Cb -0.21 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 3pcj s ILE 378 CO 0.22 -0.49 0.03 -0.63 0.24 0.00 0.00 174.94 174.31 3pcj s ILE 379 N -2.47 4.56 -0.24 8.37 1.01 -0.67 -0.42 121.20 131.35 3pcj s ILE 379 Ca -0.06 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3pcj s ILE 379 Cb -0.02 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.51 3pcj s ILE 379 CO -0.03 0.55 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 3pcj s VAL 380 N -0.39 2.40 0.21 2.92 1.01 -0.04 -1.05 120.40 125.46 3pcj s VAL 380 Ca 0.08 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3pcj s VAL 380 Cb -0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3pcj s VAL 380 CO 0.02 0.19 0.01 0.00 0.00 0.00 0.00 175.10 175.33 3pcj s ALA 381 N 1.23 1.58 0.00 5.51 0.00 -0.64 -0.14 121.76 129.29 3pcj s ALA 381 Ca -0.02 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3pcj s ALA 381 Cb -0.17 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3pcj s ALA 381 CO -0.07 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3pcj n GLY 382 N -0.34 -1.46 3.24 0.00 0.00 -1.03 0.20 105.19 105.80 3pcj n GLY 382 Ca -0.05 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 3pcj n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 383 N -1.25 1.01 -0.24 1.61 3.52 -1.25 -1.94 118.95 120.40 3pcj s ARG 383 Ca 0.00 -1.11 -0.07 0.00 -0.13 0.00 0.00 55.73 54.42 3pcj s ARG 383 Cb 0.00 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 3pcj s ARG 383 CO 0.00 0.25 0.05 0.08 -0.81 0.00 0.00 175.30 174.87 3pcj s VAL 384 N -1.38 4.17 0.17 7.11 1.01 0.36 -0.70 120.40 131.14 3pcj s VAL 384 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3pcj s VAL 384 Cb -0.09 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3pcj s VAL 384 CO 0.04 0.36 -0.06 0.68 0.00 0.00 0.00 175.10 176.11 3pcj s VAL 385 N 1.53 1.09 0.70 2.92 -7.23 -0.15 -1.43 120.40 117.81 3pcj s VAL 385 Ca 0.06 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 3pcj s VAL 385 Cb -0.15 -2.02 0.13 0.00 0.56 0.00 0.00 36.38 34.90 3pcj s VAL 385 CO 0.02 -0.60 0.96 1.51 -0.31 0.00 0.00 175.10 176.68 3pcj s ASP 386 N -3.21 4.47 0.62 4.85 1.47 0.17 -0.50 116.67 124.53 3pcj s ASP 386 Ca 0.21 -0.58 0.36 0.00 1.18 0.00 0.00 52.55 53.72 3pcj s ASP 386 Cb 0.04 0.21 2.04 0.00 -0.34 0.00 0.00 42.92 44.87 3pcj s ASP 386 CO 0.03 -1.79 2.29 1.56 0.68 0.00 0.00 175.17 177.94 3pcj h GLN 387 N -0.37 0.00 -0.01 2.11 4.20 -1.48 0.23 115.11 119.78 3pcj h GLN 387 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3pcj h GLN 387 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3pcj h GLN 387 CO 0.39 0.01 -0.09 0.66 -0.67 0.00 0.00 178.83 179.13 3pcj n TYR 388 N -3.50 0.00 -0.91 2.96 4.01 -1.26 -4.90 117.16 113.56 3pcj n TYR 388 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3pcj n TYR 388 Cb 0.09 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3pcj n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pcj n GLY 389 N 1.23 0.48 3.73 2.72 0.00 0.80 -5.03 105.19 109.12 3pcj n GLY 389 Ca 0.16 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3pcj n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcj s LYS 390 N -1.16 4.43 0.57 1.61 2.20 -1.25 -4.76 119.74 121.37 3pcj s LYS 390 Ca 0.00 0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 56.32 3pcj s LYS 390 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3pcj s LYS 390 CO 0.00 0.19 1.20 -2.14 -0.36 0.00 0.00 175.35 174.24 3pcj s PRO 391 N 0.35 3.14 -0.52 4.03 0.02 -1.26 0.41 135.00 141.17 3pcj s PRO 391 Ca 0.36 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 3pcj s PRO 391 Cb -0.19 -2.02 0.13 0.00 0.02 0.00 0.00 34.50 32.45 3pcj s PRO 391 CO 0.19 -1.07 0.31 0.08 -0.33 0.00 0.00 177.00 176.18 3pcj s VAL 392 N -1.59 3.33 0.37 3.83 1.01 -0.52 -4.81 120.40 122.02 3pcj s VAL 392 Ca 0.75 -2.64 -0.13 0.00 0.00 0.00 0.00 61.98 59.96 3pcj s VAL 392 Cb -0.30 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3pcj s VAL 392 CO 0.33 -0.78 0.77 -2.16 0.00 0.00 0.00 175.10 173.26 3pcj s PRO 393 N 0.41 3.91 -1.38 2.72 0.04 -1.26 -4.23 135.00 135.21 3pcj s PRO 393 Ca 0.13 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 3pcj s PRO 393 Cb -0.22 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 31.96 3pcj s PRO 393 CO -0.04 0.05 0.75 0.09 0.04 0.00 0.00 177.00 177.89 3pcj n ASN 394 N -0.82 -2.08 -4.69 6.66 4.13 -0.75 -4.96 115.26 112.75 3pcj n ASN 394 Ca 0.03 -0.83 -0.28 0.00 1.68 0.00 0.00 54.58 55.18 3pcj n ASN 394 Cb 0.54 -3.89 -0.08 0.00 -1.54 0.00 0.00 39.78 34.81 3pcj n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pcj s THR 395 N -3.60 3.91 -0.20 3.41 -1.32 -1.26 -4.52 115.64 112.06 3pcj s THR 395 Ca 0.19 -1.22 -0.20 0.00 -1.21 0.00 0.00 61.69 59.25 3pcj s THR 395 Cb -0.10 -2.93 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 3pcj s THR 395 CO 0.83 -0.02 0.59 -0.22 -2.21 0.00 0.00 174.62 173.59 3pcj s LEU 396 N -2.71 4.14 -0.17 9.08 2.96 -1.26 -0.90 118.68 129.82 3pcj s LEU 396 Ca 0.27 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3pcj s LEU 396 Cb -0.10 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.77 3pcj s LEU 396 CO 0.19 -0.24 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.09 3pcj s VAL 397 N 1.83 2.14 0.13 1.68 1.01 -0.08 -1.46 120.40 125.64 3pcj s VAL 397 Ca 0.27 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3pcj s VAL 397 Cb -0.16 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3pcj s VAL 397 CO 0.10 0.54 -0.22 -1.61 0.00 0.00 0.00 175.10 173.90 3pcj s GLU 398 N 1.18 1.26 0.01 2.72 2.02 -0.46 -0.65 118.70 124.78 3pcj s GLU 398 Ca 0.02 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 3pcj s GLU 398 Cb -0.14 -1.55 0.03 0.00 0.10 0.00 0.00 34.13 32.57 3pcj s GLU 398 CO -0.10 0.35 0.33 0.00 0.02 0.00 0.00 175.26 175.87 3pcj s MET 399 N -2.17 0.76 0.07 1.61 0.23 -0.63 -0.72 119.30 118.45 3pcj s MET 399 Ca 0.11 -0.29 -0.09 0.00 -1.03 0.00 0.00 55.69 54.39 3pcj s MET 399 Cb -0.09 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3pcj s MET 399 CO 0.06 -0.23 0.19 1.67 -2.03 0.00 0.00 175.02 174.68 3pcj s TRP 400 N -1.84 0.11 0.11 3.16 -2.14 -0.95 -1.07 118.94 116.32 3pcj s TRP 400 Ca -0.10 -0.46 -0.25 0.00 2.66 0.00 0.00 56.10 57.95 3pcj s TRP 400 Cb -0.03 -0.04 0.08 0.00 -3.10 0.00 0.00 33.47 30.38 3pcj s TRP 400 CO 0.01 -0.50 1.10 1.14 -2.66 0.00 0.00 176.95 176.04 3pcj s GLN 401 N -3.37 0.99 0.86 3.25 -2.07 -0.73 -0.51 119.66 118.09 3pcj s GLN 401 Ca 0.01 -0.60 -0.10 0.00 -1.82 0.00 0.00 55.36 52.85 3pcj s GLN 401 Cb 0.03 0.30 0.17 0.00 -1.09 0.00 0.00 33.01 32.42 3pcj s GLN 401 CO -0.08 -0.46 1.19 0.00 -1.32 0.00 0.00 175.29 174.62 3pcj s ALA 402 N -2.50 2.82 0.69 2.60 0.00 -1.26 -4.62 121.76 119.49 3pcj s ALA 402 Ca 0.19 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3pcj s ALA 402 Cb -0.01 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.66 3pcj s ALA 402 CO 0.02 -2.04 0.15 0.27 0.00 0.00 0.00 175.76 174.16 3pcj n ASN 403 N -3.39 0.10 0.29 0.00 0.23 0.00 -4.53 115.26 107.96 3pcj n ASN 403 Ca 0.15 -1.11 0.16 0.00 -0.53 0.00 0.00 54.58 53.25 3pcj n ASN 403 Cb 0.60 -0.11 0.94 0.00 -2.08 0.00 0.00 39.78 39.14 3pcj n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcj h ALA 404 N -1.15 1.49 -0.00 -2.53 0.00 -1.76 -1.43 119.26 113.88 3pcj h ALA 404 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3pcj h ALA 404 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3pcj h ALA 404 CO 0.04 -0.03 -0.63 0.41 0.00 0.00 0.00 179.25 179.05 3pcj n GLY 405 N -1.30 -0.98 0.42 0.00 0.00 -1.26 -3.55 105.19 98.52 3pcj n GLY 405 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3pcj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 406 N 1.47 0.88 3.72 -0.02 0.00 -0.72 -4.79 105.19 105.74 3pcj n GLY 406 Ca 0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3pcj n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 407 N -0.62 4.20 0.14 1.61 6.06 -1.26 -4.76 118.95 124.32 3pcj s ARG 407 Ca 0.00 -0.09 -0.02 0.00 -2.50 0.00 0.00 55.73 53.12 3pcj s ARG 407 Cb 0.00 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.52 3pcj s ARG 407 CO 0.00 0.23 0.33 0.71 -2.50 0.00 0.00 175.30 174.08 3pcj s TYR 408 N 0.52 3.49 -1.16 5.12 1.51 -1.26 -0.82 117.35 124.75 3pcj s TYR 408 Ca 0.12 0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 56.47 3pcj s TYR 408 Cb -0.12 -1.87 0.24 0.00 -0.11 0.00 0.00 41.96 40.10 3pcj s TYR 408 CO 0.01 0.46 1.42 -2.13 -1.11 0.00 0.00 175.55 174.20 3pcj n ARG 409 N -0.13 3.73 -3.72 -0.62 0.63 -1.26 -4.77 116.66 110.52 3pcj n ARG 409 Ca -0.04 -4.16 -0.12 0.00 -0.92 0.00 0.00 57.85 52.61 3pcj n ARG 409 Cb 0.52 -2.73 -0.11 0.00 0.45 0.00 0.00 32.46 30.59 3pcj n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pcj s HIS 410 N -0.61 -0.50 0.32 -0.14 2.46 -1.26 -5.05 115.29 110.50 3pcj s HIS 410 Ca 0.36 1.14 0.09 0.00 0.47 0.00 0.00 55.06 57.12 3pcj s HIS 410 Cb -0.01 0.19 0.96 0.00 -0.13 0.00 0.00 32.58 33.59 3pcj s HIS 410 CO -0.00 -0.27 1.62 0.87 -2.47 0.00 0.00 174.74 174.49 3pcj h LYS 411 N 6.31 0.16 0.00 2.88 1.57 -2.07 0.40 116.57 125.83 3pcj h LYS 411 Ca -0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3pcj h LYS 411 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3pcj h LYS 411 CO 0.28 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 179.36 3pcj n ASN 412 N -5.23 0.00 -4.55 0.86 5.03 -1.26 -4.76 115.26 105.35 3pcj n ASN 412 Ca 0.28 -0.11 -0.43 0.00 0.87 0.00 0.00 54.58 55.19 3pcj n ASN 412 Cb 0.91 -0.28 -0.05 0.00 -1.02 0.00 0.00 39.78 39.33 3pcj n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pcj s ASP 413 N -2.57 6.43 0.00 6.41 2.15 0.13 -4.88 116.67 124.34 3pcj s ASP 413 Ca 0.26 -0.06 0.19 0.00 0.43 0.00 0.00 52.55 53.37 3pcj s ASP 413 Cb 0.19 -2.39 0.44 0.00 -0.30 0.00 0.00 42.92 40.85 3pcj s ASP 413 CO 0.42 -0.92 1.36 0.54 -0.17 0.00 0.00 175.17 176.40 3pcj n ARG 414 N 6.75 2.50 -1.64 4.34 5.12 -1.26 -4.91 116.66 127.56 3pcj n ARG 414 Ca 0.03 -2.26 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 3pcj n ARG 414 Cb 0.48 -1.45 -0.00 0.00 -1.16 0.00 0.00 32.46 30.33 3pcj n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pcj n TYR 415 N 1.25 1.59 0.41 -1.55 9.36 -1.26 -4.84 117.16 122.12 3pcj n TYR 415 Ca 0.18 0.59 0.06 0.00 3.32 0.00 0.00 57.90 62.06 3pcj n TYR 415 Cb 0.54 -2.30 0.28 0.00 -0.63 0.00 0.00 39.34 37.24 3pcj n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3pcj n LEU 416 N 0.75 0.07 -4.75 2.98 -0.00 -1.26 -4.73 117.00 110.05 3pcj n LEU 416 Ca 0.08 0.52 -0.40 0.00 -0.00 0.00 0.00 56.01 56.20 3pcj n LEU 416 Cb 0.36 -0.51 -0.04 0.00 -0.00 0.00 0.00 43.42 43.23 3pcj n LEU 416 CO 0.59 -0.33 0.80 0.00 -0.00 0.00 0.00 177.39 178.46 3pcj s ALA 417 N -3.04 3.41 0.72 1.47 0.00 -1.26 -4.99 121.76 118.06 3pcj s ALA 417 Ca 0.06 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 3pcj s ALA 417 Cb 0.08 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3pcj s ALA 417 CO 0.23 -0.19 1.13 -1.25 0.00 0.00 0.00 175.76 175.68 3pcj s PRO 418 N -1.19 2.43 0.67 0.00 0.04 -1.26 -4.73 135.00 130.96 3pcj s PRO 418 Ca 0.46 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3pcj s PRO 418 Cb -0.32 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3pcj s PRO 418 CO 0.40 -1.54 1.07 -0.51 0.04 0.00 0.00 177.00 176.45 3pcj s LEU 419 N -5.28 3.04 -0.20 -3.56 1.43 -1.26 -4.73 118.68 108.11 3pcj s LEU 419 Ca 0.67 1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.03 3pcj s LEU 419 Cb -0.21 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 3pcj s LEU 419 CO 0.47 -1.18 -0.06 -0.62 0.23 0.00 0.00 176.35 175.18 3pcj s ASP 420 N -4.22 4.23 0.64 2.29 -1.08 -1.26 -4.98 116.67 112.28 3pcj s ASP 420 Ca 0.57 -0.38 0.39 0.00 -0.52 0.00 0.00 52.55 52.61 3pcj s ASP 420 Cb -0.11 -1.71 2.14 0.00 -1.46 0.00 0.00 42.92 41.77 3pcj s ASP 420 CO 0.53 0.02 2.20 1.55 0.52 0.00 0.00 175.17 179.99 3pcj h PRO 421 N 7.84 0.00 -0.38 4.34 0.13 -1.97 -1.95 132.00 140.01 3pcj h PRO 421 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3pcj h PRO 421 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3pcj h PRO 421 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3pcj n ASN 422 N -2.96 3.76 -3.83 1.44 4.13 -1.26 -4.96 115.26 111.58 3pcj n ASN 422 Ca -0.03 -2.52 -0.19 0.00 1.68 0.00 0.00 54.58 53.52 3pcj n ASN 422 Cb 0.14 -0.44 -0.17 0.00 -1.54 0.00 0.00 39.78 37.78 3pcj n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pcj s PHE 423 N -1.94 0.53 -0.25 3.10 5.36 -0.73 -4.35 117.98 119.69 3pcj s PHE 423 Ca 0.37 -0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.11 3pcj s PHE 423 Cb 0.26 -0.57 -0.11 0.00 -0.34 0.00 0.00 43.02 42.26 3pcj s PHE 423 CO 0.15 -0.19 -0.34 0.41 -1.46 0.00 0.00 175.22 173.79 3pcj n GLY 424 N 4.31 -0.43 0.09 13.12 0.00 -1.26 -4.59 105.19 116.43 3pcj n GLY 424 Ca -0.22 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3pcj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 425 N 1.38 1.82 3.08 -0.02 0.00 -1.26 -4.46 105.19 105.73 3pcj n GLY 425 Ca -0.47 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 3pcj n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcj s VAL 426 N -2.00 0.90 0.17 1.61 1.01 -1.26 -1.77 120.40 119.06 3pcj s VAL 426 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3pcj s VAL 426 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.60 3pcj s VAL 426 CO 0.00 0.14 0.37 -0.83 0.00 0.00 0.00 175.10 174.78 3pcj s GLY 427 N -0.57 0.24 -0.05 4.51 0.00 -0.23 -4.79 107.32 106.43 3pcj s GLY 427 Ca 0.03 -0.62 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 3pcj s GLY 427 CO 0.00 -0.62 0.54 1.09 0.00 0.00 0.00 173.10 174.11 3pcj s ARG 428 N -3.92 0.89 -0.26 2.90 1.70 -0.63 -1.60 118.95 118.03 3pcj s ARG 428 Ca 0.13 0.14 -0.22 0.00 -0.47 0.00 0.00 55.73 55.31 3pcj s ARG 428 Cb 0.02 0.42 0.07 0.00 -0.57 0.00 0.00 34.95 34.88 3pcj s ARG 428 CO -0.02 -0.26 0.69 0.00 -1.08 0.00 0.00 175.30 174.63 3pcj s LEU 430 N 0.59 4.32 0.68 0.00 2.96 -1.26 -0.90 118.68 125.07 3pcj s LEU 430 Ca -0.02 0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 3pcj s LEU 430 Cb -0.05 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.24 3pcj s LEU 430 CO -0.03 0.18 1.11 0.42 -1.32 0.00 0.00 176.35 176.71 3pcj s THR 431 N -0.05 3.26 0.04 3.68 -4.23 -0.08 -4.88 115.64 113.39 3pcj s THR 431 Ca 0.19 0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 61.24 3pcj s THR 431 Cb -0.14 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3pcj s THR 431 CO 0.07 -0.40 0.06 -0.90 -0.54 0.00 0.00 174.62 172.90 3pcj n ASP 432 N -2.65 0.03 0.28 3.99 5.68 -0.30 -1.81 116.55 121.78 3pcj n ASP 432 Ca 0.10 -1.04 0.17 0.00 -0.50 0.00 0.00 54.79 53.53 3pcj n ASP 432 Cb 0.52 -0.04 0.96 0.00 -1.14 0.00 0.00 41.12 41.42 3pcj n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pcj h SER 433 N -0.06 0.00 -0.34 -1.12 0.02 -1.95 -1.61 113.55 108.49 3pcj h SER 433 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3pcj h SER 433 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3pcj h SER 433 CO 0.02 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.18 3pcj n ASP 434 N -3.60 3.08 0.00 3.07 9.92 -1.26 -4.68 116.55 123.08 3pcj n ASP 434 Ca -0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 3pcj n ASP 434 Cb 0.16 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 3pcj n ASP 434 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pcj n GLY 435 N 1.07 0.61 3.78 0.44 0.00 -0.61 -4.71 105.19 105.77 3pcj n GLY 435 Ca 0.15 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3pcj n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pcj s TYR 436 N -2.00 3.67 0.10 1.61 2.02 -1.26 -0.49 117.35 121.00 3pcj s TYR 436 Ca 0.00 1.78 -0.04 0.00 -0.37 0.00 0.00 57.07 58.44 3pcj s TYR 436 Cb 0.00 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.56 3pcj s TYR 436 CO 0.00 0.10 0.10 1.52 -1.57 0.00 0.00 175.55 175.70 3pcj s TYR 437 N -1.55 0.52 -0.16 2.71 -0.85 -0.82 -1.15 117.35 116.05 3pcj s TYR 437 Ca 0.50 -0.96 -0.29 0.00 -0.52 0.00 0.00 57.07 55.80 3pcj s TYR 437 Cb -0.21 -0.29 0.10 0.00 0.38 0.00 0.00 41.96 41.95 3pcj s TYR 437 CO 0.26 -0.51 0.87 -1.54 -1.52 0.00 0.00 175.55 173.11 3pcj s SER 438 N -2.95 -0.52 0.14 -0.18 1.04 -1.26 -2.47 113.70 107.51 3pcj s SER 438 Ca 0.13 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.33 3pcj s SER 438 Cb 0.06 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3pcj s SER 438 CO -0.05 -0.38 -0.12 -0.36 0.98 0.00 0.00 173.24 173.30 3pcj s PHE 439 N -0.72 1.38 -0.13 5.02 0.08 0.80 -4.90 117.98 119.51 3pcj s PHE 439 Ca -0.04 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.39 3pcj s PHE 439 Cb -0.02 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 3pcj s PHE 439 CO 0.03 0.15 -0.17 0.50 -0.10 0.00 0.00 175.22 175.63 3pcj s ARG 440 N -3.27 2.47 0.00 0.44 3.52 -0.54 -0.86 118.95 120.72 3pcj s ARG 440 Ca 0.14 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 3pcj s ARG 440 Cb -0.01 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 3pcj s ARG 440 CO 0.03 -0.09 0.00 -2.37 -0.81 0.00 0.00 175.30 172.06 3pcj n THR 441 N 4.28 0.00 -4.36 4.11 5.66 0.44 0.34 114.28 124.75 3pcj n THR 441 Ca -0.19 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.52 3pcj n THR 441 Cb 0.51 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 3pcj n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pcj s ILE 442 N -2.72 2.46 0.15 1.09 -4.36 -1.26 -0.96 121.20 115.61 3pcj s ILE 442 Ca 0.00 -1.69 -0.31 0.00 -0.26 0.00 0.00 60.65 58.39 3pcj s ILE 442 Cb 0.00 -2.11 -0.09 0.00 1.25 0.00 0.00 42.46 41.51 3pcj s ILE 442 CO 0.00 0.08 1.41 -0.75 0.24 0.00 0.00 174.94 175.92 3pcj s LYS 443 N -2.13 4.31 0.76 0.37 2.20 0.47 -4.91 119.74 120.81 3pcj s LYS 443 Ca 0.16 2.15 -0.11 0.00 -0.36 0.00 0.00 55.97 57.80 3pcj s LYS 443 Cb -0.10 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3pcj s LYS 443 CO 0.08 -0.43 1.10 -1.25 -0.36 0.00 0.00 175.35 174.48 3pcj s PRO 444 N 0.72 2.43 0.16 4.03 0.04 -1.26 -4.18 135.00 136.94 3pcj s PRO 444 Ca 0.64 0.56 0.06 0.00 0.04 0.00 0.00 61.00 62.30 3pcj s PRO 444 Cb -0.39 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3pcj s PRO 444 CO 0.33 -1.36 0.08 0.20 0.04 0.00 0.00 177.00 176.29 3pcj s GLY 445 N -4.11 1.75 0.93 0.56 0.00 -0.62 -4.72 107.32 101.11 3pcj s GLY 445 Ca 0.60 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 3pcj s GLY 445 CO 0.53 -1.25 0.64 -1.05 0.00 0.00 0.00 173.10 171.97 3pcj n PRO 446 N -0.16 -0.30 -3.79 2.90 -0.01 -1.26 -4.01 135.00 128.37 3pcj n PRO 446 Ca -0.09 -0.04 -0.16 0.00 -0.01 0.00 0.00 63.50 63.20 3pcj n PRO 446 Cb 0.54 -2.02 -0.16 0.00 -0.01 0.00 0.00 33.50 31.85 3pcj n PRO 446 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 175.50 175.02 3pcj s TYR 447 N -2.43 0.09 0.37 6.00 5.04 -0.86 -4.27 117.35 121.29 3pcj s TYR 447 Ca 0.60 0.12 -0.24 0.00 -2.44 0.00 0.00 57.07 55.11 3pcj s TYR 447 Cb -0.22 -0.31 -0.10 0.00 0.35 0.00 0.00 41.96 41.68 3pcj s TYR 447 CO 0.64 -0.11 0.94 -1.25 -1.34 0.00 0.00 175.55 174.43 3pcj s PRO 448 N 1.21 4.43 0.06 4.97 0.04 -1.26 0.36 135.00 144.80 3pcj s PRO 448 Ca -0.07 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 3pcj s PRO 448 Cb -0.13 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.90 3pcj s PRO 448 CO -0.03 0.15 0.31 1.67 0.04 0.00 0.00 177.00 179.14 3pcj s TRP 449 N -1.86 -0.10 -1.10 0.56 1.48 -0.92 -4.91 118.94 112.09 3pcj s TRP 449 Ca 0.55 -0.07 -0.22 0.00 -1.06 0.00 0.00 56.10 55.30 3pcj s TRP 449 Cb -0.14 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.32 3pcj s TRP 449 CO 0.19 -0.53 1.58 1.03 -4.06 0.00 0.00 176.95 175.16 3pcj s ARG 450 N -2.78 3.63 0.00 3.25 0.52 -1.26 -4.38 118.95 117.93 3pcj s ARG 450 Ca -0.03 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.83 3pcj s ARG 450 Cb -0.00 -5.40 0.00 0.00 0.52 0.00 0.00 34.95 30.07 3pcj s ARG 450 CO -0.05 -2.33 0.00 -1.71 0.02 0.00 0.00 175.30 171.23 3pcj n ASN 451 N 9.14 0.00 -4.84 0.23 5.15 -1.26 -5.03 115.26 118.66 3pcj n ASN 451 Ca 0.39 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 54.11 3pcj n ASN 451 Cb 0.49 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.82 3pcj n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pcj s GLY 452 N -0.22 1.72 0.16 8.20 0.00 -1.26 -4.95 107.32 110.97 3pcj s GLY 452 Ca 0.00 -1.08 0.13 0.00 0.00 0.00 0.00 44.72 43.77 3pcj s GLY 452 CO 0.00 -0.64 1.40 -1.05 0.00 0.00 0.00 173.10 172.81 3pcj n PRO 453 N -2.92 0.08 -2.82 2.90 -0.02 -1.26 -3.55 135.00 127.41 3pcj n PRO 453 Ca 0.09 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 3pcj n PRO 453 Cb 0.60 -1.73 0.05 0.00 -0.02 0.00 0.00 33.50 32.40 3pcj n PRO 453 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3pcj n ASN 454 N -1.90 -0.35 -4.80 2.55 5.15 -1.26 -5.09 115.26 109.55 3pcj n ASN 454 Ca -0.00 -2.95 -0.37 0.00 -0.60 0.00 0.00 54.58 50.66 3pcj n ASN 454 Cb 0.06 0.36 -0.06 0.00 -0.53 0.00 0.00 39.78 39.61 3pcj n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pcj s ASP 455 N -2.07 6.62 -0.06 1.20 1.01 -1.23 -5.07 116.67 117.06 3pcj s ASP 455 Ca 0.28 0.74 -0.00 0.00 0.71 0.00 0.00 52.55 54.28 3pcj s ASP 455 Cb 0.38 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 42.13 3pcj s ASP 455 CO -0.04 0.23 -0.03 0.26 0.21 0.00 0.00 175.17 175.80 3pcj s TRP 456 N -0.40 0.78 0.35 4.23 0.52 -1.26 -2.17 118.94 120.99 3pcj s TRP 456 Ca 0.21 -0.24 -0.26 0.00 0.02 0.00 0.00 56.10 55.83 3pcj s TRP 456 Cb -0.15 -0.77 -0.09 0.00 -1.15 0.00 0.00 33.47 31.31 3pcj s TRP 456 CO 0.09 -0.28 1.05 1.03 0.02 0.00 0.00 176.95 178.86 3pcj s ARG 457 N 1.45 4.38 0.75 4.98 1.81 0.16 -4.76 118.95 127.72 3pcj s ARG 457 Ca -0.03 1.58 -0.11 0.00 -1.72 0.00 0.00 55.73 55.46 3pcj s ARG 457 Cb -0.13 -2.80 0.04 0.00 -0.45 0.00 0.00 34.95 31.62 3pcj s ARG 457 CO -0.03 0.03 1.08 -2.14 -0.68 0.00 0.00 175.30 173.56 3pcj s PRO 458 N -2.08 2.43 0.22 3.54 0.02 -1.26 -2.04 135.00 135.83 3pcj s PRO 458 Ca 0.52 1.04 -0.32 0.00 0.02 0.00 0.00 61.00 62.26 3pcj s PRO 458 Cb -0.25 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 3pcj s PRO 458 CO 0.32 -1.48 1.43 0.00 -0.33 0.00 0.00 177.00 176.93 3pcj n ALA 459 N -3.40 1.05 -3.28 -1.55 0.00 -1.26 -4.72 120.51 107.35 3pcj n ALA 459 Ca 0.08 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 3pcj n ALA 459 Cb 0.54 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 3pcj n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pcj s HIS 460 N 0.15 -0.40 -0.09 0.00 -3.43 -1.26 -4.01 115.29 106.25 3pcj s HIS 460 Ca 0.71 0.41 0.02 0.00 -0.80 0.00 0.00 55.06 55.41 3pcj s HIS 460 Cb -0.67 0.33 -0.02 0.00 -1.43 0.00 0.00 32.58 30.79 3pcj s HIS 460 CO 0.47 -0.65 -0.16 0.42 -2.00 0.00 0.00 174.74 172.83 3pcj s ILE 461 N -2.56 2.84 0.23 -5.38 1.01 -0.75 -4.61 121.20 111.99 3pcj s ILE 461 Ca -0.05 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 3pcj s ILE 461 Cb -0.01 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 3pcj s ILE 461 CO -0.03 0.56 0.84 -1.00 0.00 0.00 0.00 174.94 175.31 3pcj s HIS 462 N -0.10 3.83 0.00 3.97 3.76 0.33 -0.63 115.29 126.44 3pcj s HIS 462 Ca -0.03 1.68 0.03 0.00 -0.15 0.00 0.00 55.06 56.60 3pcj s HIS 462 Cb -0.14 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.72 3pcj s HIS 462 CO 0.04 0.40 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.18 3pcj s PHE 463 N -1.33 0.83 -0.04 1.40 0.40 -0.20 -2.25 117.98 116.77 3pcj s PHE 463 Ca 0.41 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.60 3pcj s PHE 463 Cb -0.21 -0.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.79 3pcj s PHE 463 CO 0.26 -0.01 -0.15 0.20 0.70 0.00 0.00 175.22 176.21 3pcj s GLY 464 N -0.37 0.85 -0.03 4.36 0.00 0.10 -0.73 107.32 111.50 3pcj s GLY 464 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3pcj s GLY 464 CO -0.00 -0.27 -0.01 -0.42 0.00 0.00 0.00 173.10 172.39 3pcj s ILE 465 N 0.11 0.24 -0.08 0.90 1.09 0.23 -1.35 121.20 122.35 3pcj s ILE 465 Ca -0.05 0.02 -0.03 0.00 -1.10 0.00 0.00 60.65 59.50 3pcj s ILE 465 Cb -0.11 -0.31 -0.02 0.00 -1.06 0.00 0.00 42.46 40.96 3pcj s ILE 465 CO 0.02 0.15 0.14 0.77 -0.10 0.00 0.00 174.94 175.92 3pcj h SER 466 N 7.10 -0.10 -4.02 3.58 4.64 -1.55 -1.43 113.55 121.78 3pcj h SER 466 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3pcj h SER 466 Cb 1.14 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3pcj h SER 466 CO 0.48 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 3pcj n GLY 467 N 1.48 -1.51 0.11 -0.77 0.00 -1.26 -2.98 105.19 100.26 3pcj n GLY 467 Ca -0.01 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.58 3pcj n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pcj n PRO 468 N -1.60 0.15 -3.95 1.61 -0.04 -1.26 -4.87 135.00 125.05 3pcj n PRO 468 Ca 0.00 0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3pcj n PRO 468 Cb 0.00 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 3pcj n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pcj s SER 469 N -3.98 0.20 0.53 3.54 1.04 -1.26 -3.58 113.70 110.19 3pcj s SER 469 Ca 0.03 -1.11 0.33 0.00 0.48 0.00 0.00 55.95 55.68 3pcj s SER 469 Cb 0.08 0.71 1.32 0.00 0.10 0.00 0.00 66.02 68.23 3pcj s SER 469 CO 0.32 -1.39 1.96 0.16 0.98 0.00 0.00 173.24 175.27 3pcj h ILE 470 N 2.10 0.00 0.00 -1.02 3.07 -1.44 -2.86 117.51 117.36 3pcj h ILE 470 Ca -0.28 -0.51 -0.11 0.00 1.55 0.00 0.00 64.86 65.52 3pcj h ILE 470 Cb 1.25 1.49 -0.02 0.00 -0.27 0.00 0.00 36.82 39.27 3pcj h ILE 470 CO 0.36 0.00 -0.51 0.00 -1.05 0.00 0.00 178.15 176.95 3pcj h ALA 471 N 2.02 0.88 0.00 0.16 0.00 -1.80 -3.25 119.26 117.26 3pcj h ALA 471 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3pcj h ALA 471 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3pcj h ALA 471 CO 0.00 0.64 -0.81 0.25 0.00 0.00 0.00 179.25 179.33 3pcj n THR 472 N -3.53 0.03 -1.75 0.00 -2.24 -1.09 -4.92 114.28 100.79 3pcj n THR 472 Ca -0.00 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3pcj n THR 472 Cb 0.61 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 3pcj n THR 472 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3pcj s LYS 473 N -3.04 4.11 -0.03 -0.78 2.47 -1.16 -4.71 119.74 116.60 3pcj s LYS 473 Ca 0.08 2.60 -0.08 0.00 -1.56 0.00 0.00 55.97 57.02 3pcj s LYS 473 Cb 0.16 -3.04 0.01 0.00 -1.46 0.00 0.00 37.83 33.51 3pcj s LYS 473 CO 0.79 -0.69 0.18 -1.17 0.16 0.00 0.00 175.35 174.62 3pcj s LEU 474 N 0.07 1.35 -0.07 5.43 2.96 -0.54 -5.01 118.68 122.87 3pcj s LEU 474 Ca 0.67 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 3pcj s LEU 474 Cb -0.49 0.74 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 3pcj s LEU 474 CO 0.43 -0.25 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.37 3pcj s ILE 475 N -0.73 2.37 0.15 6.68 1.01 -1.26 -0.60 121.20 128.81 3pcj s ILE 475 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 3pcj s ILE 475 Cb -0.05 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3pcj s ILE 475 CO 0.01 0.56 0.23 1.07 0.00 0.00 0.00 174.94 176.82 3pcj n THR 476 N 3.03 0.00 -3.97 2.92 5.66 0.09 -5.01 114.28 117.00 3pcj n THR 476 Ca -0.18 -0.66 -0.13 0.00 -3.05 0.00 0.00 64.05 60.04 3pcj n THR 476 Cb 0.52 0.45 -0.14 0.00 -1.55 0.00 0.00 70.33 69.61 3pcj n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pcj s GLN 477 N -2.26 0.19 -0.08 1.09 -0.21 -1.26 -1.04 119.66 116.09 3pcj s GLN 477 Ca 0.11 -0.18 -0.04 0.00 0.02 0.00 0.00 55.36 55.26 3pcj s GLN 477 Cb -0.01 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 3pcj s GLN 477 CO 0.08 0.03 0.11 -1.17 -2.12 0.00 0.00 175.29 172.21 3pcj s LEU 478 N -0.34 4.13 0.26 2.90 0.20 0.20 -4.84 118.68 121.19 3pcj s LEU 478 Ca -0.02 0.33 0.11 0.00 0.69 0.00 0.00 54.13 55.24 3pcj s LEU 478 Cb -0.03 -2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 3pcj s LEU 478 CO -0.00 0.36 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.95 3pcj s TYR 479 N -1.06 2.40 -0.15 5.38 2.02 0.22 -1.80 117.35 124.36 3pcj s TYR 479 Ca 0.18 -0.30 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 3pcj s TYR 479 Cb -0.12 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3pcj s TYR 479 CO 0.07 0.66 0.08 -0.06 -1.57 0.00 0.00 175.55 174.73 3pcj s PHE 480 N -2.31 3.35 0.05 2.71 0.40 -1.26 -0.68 117.98 120.24 3pcj s PHE 480 Ca 0.29 0.26 -0.37 0.00 -0.60 0.00 0.00 56.93 56.50 3pcj s PHE 480 Cb -0.06 -2.00 -0.17 0.00 0.51 0.00 0.00 43.02 41.30 3pcj s PHE 480 CO 0.15 0.39 1.33 -1.91 0.70 0.00 0.00 175.22 175.89 3pcj n GLU 481 N 2.84 0.99 0.00 0.44 2.13 -0.69 -2.15 120.64 124.19 3pcj n GLU 481 Ca -0.18 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3pcj n GLU 481 Cb 0.53 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.26 3pcj n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcj n GLY 482 N 2.51 2.37 3.62 8.31 0.00 -1.26 -4.99 105.19 115.76 3pcj n GLY 482 Ca 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.69 3pcj n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pcj n ASP 483 N 0.00 2.71 0.29 1.61 -0.08 -0.92 -4.84 116.55 115.33 3pcj n ASP 483 Ca 0.00 0.83 0.16 0.00 -1.51 0.00 0.00 54.79 54.27 3pcj n ASP 483 Cb 0.00 -1.27 0.88 0.00 2.34 0.00 0.00 41.12 43.07 3pcj n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pcj h PRO 484 N 9.62 0.00 0.00 -0.67 0.13 -1.95 -2.58 132.00 136.55 3pcj h PRO 484 Ca -0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3pcj h PRO 484 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3pcj h PRO 484 CO 0.97 0.05 -0.50 -0.07 -0.23 0.00 0.00 178.00 178.23 3pcj h LEU 485 N 0.00 0.00 -0.58 1.56 3.38 -1.95 -3.37 115.31 114.35 3pcj h LEU 485 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3pcj h LEU 485 Cb 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3pcj h LEU 485 CO 0.01 0.50 -0.48 0.40 0.09 0.00 0.00 178.44 178.96 3pcj h ILE 486 N 0.00 0.05 0.00 1.22 2.04 -1.84 -1.44 117.51 117.55 3pcj h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 486 Cb 0.99 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3pcj h ILE 486 CO 0.06 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.56 3pcj h PRO 487 N -0.25 0.00 0.00 2.37 0.11 -1.80 -2.49 132.00 129.94 3pcj h PRO 487 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3pcj h PRO 487 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3pcj h PRO 487 CO -0.69 0.00 -0.73 -1.33 -0.21 0.00 0.00 178.00 175.04 3pcj n MET 488 N -3.06 0.28 -2.47 1.05 2.81 -0.56 -4.92 117.12 110.26 3pcj n MET 488 Ca -0.03 0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 3pcj n MET 488 Cb 0.09 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 30.92 3pcj n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pcj h PRO 490 N 7.99 0.06 -0.02 0.00 0.11 -1.90 0.44 132.00 138.68 3pcj h PRO 490 Ca -0.26 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3pcj h PRO 490 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3pcj h PRO 490 CO 0.96 0.12 -0.06 0.82 -0.21 0.00 0.00 178.00 179.63 3pcj h ILE 491 N 0.07 1.49 -0.31 4.15 2.04 -1.92 -2.46 117.51 120.57 3pcj h ILE 491 Ca 0.02 -1.54 0.04 0.00 1.00 0.00 0.00 64.86 64.38 3pcj h ILE 491 Cb 0.12 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3pcj h ILE 491 CO 0.01 0.41 0.05 0.58 0.00 0.00 0.00 178.15 179.20 3pcj h VAL 492 N -0.54 0.85 0.00 1.67 2.07 -1.70 -1.00 116.25 117.59 3pcj h VAL 492 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3pcj h VAL 492 Cb 0.70 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3pcj h VAL 492 CO 0.01 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3pcj n LYS 493 N -5.10 0.25 0.22 1.57 5.02 0.15 -1.87 118.16 118.40 3pcj n LYS 493 Ca 0.00 0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 3pcj n LYS 493 Cb 0.14 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.14 3pcj n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pcj h SER 494 N 0.00 0.00 -3.38 4.39 4.64 -0.68 -3.38 113.55 115.13 3pcj h SER 494 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3pcj h SER 494 Cb 0.02 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 3pcj h SER 494 CO 0.00 0.26 0.70 -0.63 -0.87 0.00 0.00 176.83 176.30 3pcj s ILE 495 N -4.18 4.58 0.23 0.95 1.01 -0.78 -3.81 121.20 119.19 3pcj s ILE 495 Ca -0.03 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.13 3pcj s ILE 495 Cb 0.14 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3pcj s ILE 495 CO 0.67 -0.46 1.58 0.00 0.00 0.00 0.00 174.94 176.74 3pcj h ALA 496 N 8.20 0.85 -2.69 9.38 0.00 -1.85 -3.45 119.26 129.71 3pcj h ALA 496 Ca -0.22 -0.47 -0.60 0.00 0.00 0.00 0.00 54.91 53.61 3pcj h ALA 496 Cb 1.07 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3pcj h ALA 496 CO 0.99 0.66 -0.06 1.21 0.00 0.00 0.00 179.25 182.06 3pcj s ASN 497 N -6.88 6.50 0.55 0.00 3.04 -1.26 -4.98 114.94 111.91 3pcj s ASN 497 Ca -0.06 0.60 0.29 0.00 0.04 0.00 0.00 52.86 53.73 3pcj s ASN 497 Cb 0.12 -2.28 1.63 0.00 -1.54 0.00 0.00 41.25 39.18 3pcj s ASN 497 CO 0.81 -0.20 2.15 1.55 -3.04 0.00 0.00 177.10 178.37 3pcj h PRO 498 N 7.63 0.00 -0.01 0.43 0.13 -2.00 -0.86 132.00 137.32 3pcj h PRO 498 Ca -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 3pcj h PRO 498 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3pcj h PRO 498 CO 0.73 0.07 -0.74 0.93 -0.23 0.00 0.00 178.00 178.76 3pcj h GLU 499 N 0.00 0.06 -0.20 0.86 3.07 -1.98 -2.90 114.58 113.49 3pcj h GLU 499 Ca -0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3pcj h GLU 499 Cb 0.21 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3pcj h GLU 499 CO 0.01 0.77 -0.13 0.00 -1.40 0.00 0.00 179.01 178.26 3pcj h ALA 500 N 1.21 0.29 -0.76 3.43 0.00 -1.52 -3.11 119.26 118.79 3pcj h ALA 500 Ca -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.71 3pcj h ALA 500 Cb 1.30 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3pcj h ALA 500 CO 0.10 0.15 0.36 0.28 0.00 0.00 0.00 179.25 180.14 3pcj h VAL 501 N 0.13 0.76 -0.64 0.00 2.07 -1.45 -1.08 116.25 116.03 3pcj h VAL 501 Ca 0.04 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.48 3pcj h VAL 501 Cb 0.63 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3pcj h VAL 501 CO 0.04 0.10 0.43 1.56 0.02 0.00 0.00 177.57 179.72 3pcj h GLN 502 N 0.56 0.43 0.00 1.57 1.08 -1.44 -1.48 115.11 115.82 3pcj h GLN 502 Ca 0.40 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 3pcj h GLN 502 Cb 0.53 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3pcj h GLN 502 CO -0.34 0.28 0.00 1.96 -0.95 0.00 0.00 178.83 179.79 3pcj h GLN 503 N 0.44 0.00 -0.02 1.46 4.20 -1.19 -2.39 115.11 117.61 3pcj h GLN 503 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3pcj h GLN 503 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3pcj h GLN 503 CO -0.09 0.00 -0.17 1.28 -0.67 0.00 0.00 178.83 179.19 3pcj n LEU 504 N -2.82 2.03 -4.60 1.46 4.77 -0.56 -4.90 117.00 112.39 3pcj n LEU 504 Ca -0.01 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 54.90 3pcj n LEU 504 Cb 0.17 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3pcj n LEU 504 CO 0.21 0.35 0.02 -0.63 -1.33 0.00 0.00 177.39 176.01 3pcj s ILE 505 N -2.21 5.20 0.22 -0.08 1.01 -0.90 -0.61 121.20 123.83 3pcj s ILE 505 Ca 0.27 0.50 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 3pcj s ILE 505 Cb 0.20 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3pcj s ILE 505 CO 0.42 0.17 0.89 0.00 0.00 0.00 0.00 174.94 176.42 3pcj s ALA 506 N 2.01 3.36 -0.12 9.38 0.00 0.14 -4.88 121.76 131.66 3pcj s ALA 506 Ca 0.14 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 3pcj s ALA 506 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3pcj s ALA 506 CO 0.10 0.23 0.11 0.15 0.00 0.00 0.00 175.76 176.35 3pcj s LYS 507 N -1.26 3.41 0.26 0.00 -0.14 -0.89 -1.70 119.74 119.43 3pcj s LYS 507 Ca 0.40 -0.20 -0.31 0.00 -1.36 0.00 0.00 55.97 54.50 3pcj s LYS 507 Cb -0.24 -3.12 -0.12 0.00 -1.68 0.00 0.00 37.83 32.67 3pcj s LYS 507 CO 0.29 0.71 1.64 -0.11 -0.76 0.00 0.00 175.35 177.13 3pcj n LEU 508 N 2.17 4.23 -3.81 3.17 7.94 -1.26 -0.81 117.00 128.63 3pcj n LEU 508 Ca -0.19 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.54 3pcj n LEU 508 Cb 0.54 -1.59 -0.13 0.00 0.53 0.00 0.00 43.42 42.78 3pcj n LEU 508 CO 0.31 0.16 -0.17 -0.62 -1.11 0.00 0.00 177.39 175.96 3pcj s ASP 509 N 0.72 3.99 0.48 1.96 -1.08 0.49 -4.85 116.67 118.38 3pcj s ASP 509 Ca 0.68 -3.15 0.33 0.00 -0.52 0.00 0.00 52.55 49.89 3pcj s ASP 509 Cb -0.50 -1.34 1.59 0.00 -1.46 0.00 0.00 42.92 41.21 3pcj s ASP 509 CO 0.43 -0.19 1.98 0.24 0.52 0.00 0.00 175.17 178.15 3pcj h MET 510 N 6.16 0.00 0.00 4.34 2.86 -1.93 -2.48 114.93 123.89 3pcj h MET 510 Ca 0.04 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3pcj h MET 510 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3pcj h MET 510 CO 0.60 0.00 -0.43 -0.91 1.06 0.00 0.00 176.91 177.24 3pcj h ASN 511 N 0.00 0.00 0.09 1.22 2.35 -1.93 -3.24 115.58 114.06 3pcj h ASN 511 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3pcj h ASN 511 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3pcj h ASN 511 CO 0.00 0.43 -0.92 -3.20 -1.65 0.00 0.00 177.43 172.09 3pcj n ASN 512 N -3.55 0.91 -4.76 5.81 5.15 -0.94 -4.99 115.26 112.88 3pcj n ASN 512 Ca -0.00 -0.86 -0.33 0.00 -0.60 0.00 0.00 54.58 52.79 3pcj n ASN 512 Cb 0.54 0.87 0.07 0.00 -0.53 0.00 0.00 39.78 40.73 3pcj n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pcj s ALA 513 N -3.00 2.35 -0.40 5.20 0.00 -1.19 -4.80 121.76 119.91 3pcj s ALA 513 Ca 0.08 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 3pcj s ALA 513 Cb 0.16 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3pcj s ALA 513 CO 0.84 -1.50 0.23 -0.80 0.00 0.00 0.00 175.76 174.53 3pcj s ASN 514 N -2.63 5.58 0.14 0.00 0.01 0.44 -5.00 114.94 113.48 3pcj s ASN 514 Ca 0.67 -1.44 -0.32 0.00 -0.71 0.00 0.00 52.86 51.06 3pcj s ASN 514 Cb -0.21 -1.96 -0.18 0.00 0.41 0.00 0.00 41.25 39.31 3pcj s ASN 514 CO 0.45 -0.50 0.77 -2.65 -1.51 0.00 0.00 177.10 173.66 3pcj n PRO 515 N 4.89 0.16 -1.97 -0.60 -0.02 -1.26 -0.27 135.00 135.92 3pcj n PRO 515 Ca -0.10 0.06 -0.17 0.00 -2.02 0.00 0.00 63.50 61.27 3pcj n PRO 515 Cb 0.43 -1.27 -0.04 0.00 -0.02 0.00 0.00 33.50 32.60 3pcj n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcj n MET 516 N 1.21 -1.67 0.00 -0.52 2.81 -1.26 -4.71 117.12 112.98 3pcj n MET 516 Ca 0.18 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.97 3pcj n MET 516 Cb 0.20 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.33 3pcj n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pcj n ASP 517 N -1.43 0.00 -3.69 7.83 -0.08 0.62 -5.15 116.55 114.65 3pcj n ASP 517 Ca -0.18 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.95 3pcj n ASP 517 Cb 0.60 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.98 3pcj n ASP 517 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3pcj s LEU 519 N -1.20 2.34 -0.04 0.00 1.43 -0.95 -0.42 118.68 119.84 3pcj s LEU 519 Ca -0.12 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3pcj s LEU 519 Cb -0.04 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3pcj s LEU 519 CO 0.06 -2.83 0.19 0.00 0.23 0.00 0.00 176.35 173.99 3pcj s ALA 520 N -3.68 -0.46 0.00 4.21 0.00 -1.26 -1.66 121.76 118.91 3pcj s ALA 520 Ca 0.71 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.98 3pcj s ALA 520 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3pcj s ALA 520 CO 0.53 -0.16 -0.18 0.71 0.00 0.00 0.00 175.76 176.66 3pcj s TYR 521 N -0.68 1.60 -0.20 0.00 1.51 -0.21 0.19 117.35 119.55 3pcj s TYR 521 Ca -0.08 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3pcj s TYR 521 Cb -0.04 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 3pcj s TYR 521 CO 0.01 0.00 -0.02 0.50 -1.11 0.00 0.00 175.55 174.93 3pcj s ARG 522 N -0.64 3.51 -0.28 -0.62 6.06 0.01 -1.62 118.95 125.37 3pcj s ARG 522 Ca 0.06 -0.57 -0.02 0.00 -2.50 0.00 0.00 55.73 52.70 3pcj s ARG 522 Cb -0.07 -3.02 0.09 0.00 0.06 0.00 0.00 34.95 32.00 3pcj s ARG 522 CO 0.00 -0.05 0.09 0.12 -2.50 0.00 0.00 175.30 172.95 3pcj s PHE 523 N 1.14 1.26 0.10 5.12 5.36 0.13 -2.08 117.98 129.01 3pcj s PHE 523 Ca 0.02 -1.35 -0.16 0.00 -0.96 0.00 0.00 56.93 54.49 3pcj s PHE 523 Cb -0.15 -1.38 -0.07 0.00 -0.34 0.00 0.00 43.02 41.09 3pcj s PHE 523 CO 0.00 -0.80 0.53 -0.51 -1.46 0.00 0.00 175.22 172.98 3pcj s ASP 524 N 1.77 6.89 -0.04 6.13 1.01 -1.26 -3.93 116.67 127.24 3pcj s ASP 524 Ca 0.07 1.10 0.07 0.00 0.71 0.00 0.00 52.55 54.50 3pcj s ASP 524 Cb -0.17 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 3pcj s ASP 524 CO -0.23 0.19 -0.25 -0.63 0.21 0.00 0.00 175.17 174.46 3pcj s ILE 525 N -1.30 1.98 -0.17 0.77 1.01 0.13 -4.94 121.20 118.68 3pcj s ILE 525 Ca 0.33 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 3pcj s ILE 525 Cb -0.17 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3pcj s ILE 525 CO 0.18 0.56 -0.09 -0.69 0.00 0.00 0.00 174.94 174.90 3pcj s VAL 526 N -0.32 3.21 0.37 2.92 1.01 -1.25 -0.98 120.40 125.36 3pcj s VAL 526 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3pcj s VAL 526 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3pcj s VAL 526 CO 0.02 0.48 0.26 -0.76 0.00 0.00 0.00 175.10 175.10 3pcj s LEU 527 N 0.82 3.38 0.20 3.92 1.43 0.34 -4.94 118.68 123.84 3pcj s LEU 527 Ca -0.03 -0.72 -0.32 0.00 -1.03 0.00 0.00 54.13 52.03 3pcj s LEU 527 Cb -0.15 -1.94 -0.14 0.00 0.03 0.00 0.00 46.19 43.99 3pcj s LEU 527 CO 0.01 -0.44 1.32 0.54 0.23 0.00 0.00 176.35 178.01 3pcj n ARG 528 N -1.34 1.66 -1.85 1.70 1.74 -1.26 -1.59 116.66 115.72 3pcj n ARG 528 Ca -0.01 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 3pcj n ARG 528 Cb 0.61 -2.20 -0.01 0.00 -1.02 0.00 0.00 32.46 29.85 3pcj n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pcj s GLY 529 N 0.23 2.64 -0.17 -0.13 0.00 -1.26 -4.31 107.32 104.32 3pcj s GLY 529 Ca 0.72 1.51 -0.02 0.00 0.00 0.00 0.00 44.72 46.93 3pcj s GLY 529 CO 0.50 2.31 -0.08 1.62 0.00 0.00 0.00 173.10 177.45 3pcj s GLN 530 N -1.41 3.45 0.20 2.90 0.74 -1.26 -0.44 119.66 123.85 3pcj s GLN 530 Ca 0.56 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 55.38 3pcj s GLN 530 Cb -0.46 -2.84 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 3pcj s GLN 530 CO 0.55 0.07 -0.02 -0.98 -0.55 0.00 0.00 175.29 174.36 3pcj s ARG 531 N 0.78 1.25 0.51 1.67 1.70 -0.15 -4.98 118.95 119.72 3pcj s ARG 531 Ca -0.03 -1.61 -0.18 0.00 -0.47 0.00 0.00 55.73 53.44 3pcj s ARG 531 Cb -0.15 -0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 33.59 3pcj s ARG 531 CO 0.02 -0.07 1.00 -1.59 -1.08 0.00 0.00 175.30 173.58 3pcj s LYS 532 N -3.85 3.86 0.68 3.89 -2.85 -1.26 -0.54 119.74 119.67 3pcj s LYS 532 Ca 0.25 1.11 -0.11 0.00 -1.00 0.00 0.00 55.97 56.22 3pcj s LYS 532 Cb 0.05 -2.12 -0.00 0.00 -2.06 0.00 0.00 37.83 33.70 3pcj s LYS 532 CO 0.06 -0.36 1.05 0.95 0.10 0.00 0.00 175.35 177.16 3pcj s THR 533 N -2.39 4.13 -0.16 3.79 -4.23 -1.24 -4.67 115.64 110.87 3pcj s THR 533 Ca 0.62 0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 61.66 3pcj s THR 533 Cb -0.12 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.29 3pcj s THR 533 CO 0.26 -0.89 0.47 -1.38 -0.54 0.00 0.00 174.62 172.54 3pcj s HIS 534 N -3.04 -0.49 -1.69 3.99 -3.43 -1.26 -4.93 115.29 104.44 3pcj s HIS 534 Ca 0.58 1.17 -0.20 0.00 -0.80 0.00 0.00 55.06 55.80 3pcj s HIS 534 Cb -0.14 0.18 0.19 0.00 -1.43 0.00 0.00 32.58 31.39 3pcj s HIS 534 CO 0.54 -0.28 0.62 1.19 -2.00 0.00 0.00 174.74 174.81 3pcj n PHE 535 N 2.57 -1.42 1.99 0.38 3.72 -1.26 -5.24 117.46 118.20 3pcj n PHE 535 Ca -0.14 0.67 0.16 0.00 -0.05 0.00 0.00 57.45 58.08 3pcj n PHE 535 Cb 0.57 -2.19 0.95 0.00 -0.94 0.00 0.00 39.48 37.86 3pcj n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10