#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa s THR 302 N 0.00 0.09 -0.08 12.58 2.01 -1.26 -0.46 115.64 128.52 3hfa s THR 302 Ca 0.00 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.09 3hfa s THR 302 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.37 3hfa s THR 302 CO 0.00 0.09 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.26 3hfa s ILE 303 N 0.64 1.23 0.17 1.82 1.01 -0.23 -2.31 121.20 123.54 3hfa s ILE 303 Ca -0.06 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.19 3hfa s ILE 303 Cb -0.09 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3hfa s ILE 303 CO -0.01 0.38 -0.23 0.68 0.00 0.00 0.00 174.94 175.75 3hfa s VAL 304 N 0.80 2.42 -0.06 2.92 -7.23 0.03 -0.89 120.40 118.40 3hfa s VAL 304 Ca -0.12 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 3hfa s VAL 304 Cb -0.15 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.66 3hfa s VAL 304 CO 0.02 -0.06 0.20 0.00 -0.31 0.00 0.00 175.10 174.95 3hfa s ALA 305 N -1.51 -0.49 -0.04 1.32 0.00 -0.50 -1.06 121.76 119.48 3hfa s ALA 305 Ca 0.19 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3hfa s ALA 305 Cb -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.85 3hfa s ALA 305 CO 0.09 -0.14 0.32 -0.48 0.00 0.00 0.00 175.76 175.56 3hfa s LEU 306 N -0.33 0.79 0.04 0.00 0.05 -0.33 -1.05 118.68 117.85 3hfa s LEU 306 Ca -0.04 0.22 -0.22 0.00 0.05 0.00 0.00 54.13 54.14 3hfa s LEU 306 Cb -0.03 1.27 -0.06 0.00 -2.05 0.00 0.00 46.19 45.32 3hfa s LEU 306 CO 0.01 -0.38 0.64 -0.54 -0.55 0.00 0.00 176.35 175.53 3hfa s LYS 307 N -1.02 4.36 0.31 1.48 1.02 0.43 -0.98 119.74 125.33 3hfa s LYS 307 Ca -0.11 0.85 0.05 0.00 0.02 0.00 0.00 55.97 56.78 3hfa s LYS 307 Cb -0.05 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 3hfa s LYS 307 CO 0.04 0.42 0.01 1.52 -0.92 0.00 0.00 175.35 176.42 3hfa s TYR 308 N -0.44 1.98 -0.21 3.18 -0.85 -0.74 -4.94 117.35 115.33 3hfa s TYR 308 Ca 0.33 -0.83 -0.28 0.00 -0.52 0.00 0.00 57.07 55.76 3hfa s TYR 308 Cb -0.19 -1.24 -0.05 0.00 0.38 0.00 0.00 41.96 40.86 3hfa s TYR 308 CO 0.20 0.15 2.16 -2.14 -1.52 0.00 0.00 175.55 174.40 3hfa s PRO 309 N -3.81 3.23 0.00 -3.49 0.02 -1.26 -1.81 135.00 127.88 3hfa s PRO 309 Ca 0.33 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3hfa s PRO 309 Cb 0.07 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 30.25 3hfa s PRO 309 CO 0.14 -2.00 0.00 0.41 -0.33 0.00 0.00 177.00 175.22 3hfa n GLY 310 N 5.63 0.30 0.00 0.52 0.00 0.40 -4.71 105.19 107.33 3hfa n GLY 310 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3hfa n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 311 N -1.76 1.44 3.12 -0.02 0.00 -0.75 -4.14 105.19 103.08 3hfa n GLY 311 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3hfa n GLY 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 312 N -2.29 0.10 0.02 1.61 0.11 -0.37 -1.80 120.40 117.79 3hfa s VAL 312 Ca 0.00 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.25 3hfa s VAL 312 Cb 0.00 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3hfa s VAL 312 CO 0.00 -0.47 -0.16 0.54 -3.33 0.00 0.00 175.10 171.68 3hfa s VAL 313 N -1.96 1.25 -0.03 2.04 0.11 -0.15 -1.15 120.40 120.50 3hfa s VAL 313 Ca -0.10 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 3hfa s VAL 313 Cb -0.05 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3hfa s VAL 313 CO -0.01 0.18 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.53 3hfa s MET 314 N -0.81 1.04 0.02 1.54 1.75 -0.25 -1.19 119.30 121.40 3hfa s MET 314 Ca 0.04 -0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.19 3hfa s MET 314 Cb -0.07 -0.96 -0.02 0.00 2.84 0.00 0.00 34.83 36.62 3hfa s MET 314 CO 0.01 0.08 -0.04 0.00 -0.65 0.00 0.00 175.02 174.42 3hfa s ALA 315 N 0.32 0.26 0.03 4.11 0.00 -0.22 -0.37 121.76 125.90 3hfa s ALA 315 Ca -0.05 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3hfa s ALA 315 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3hfa s ALA 315 CO 0.01 -0.08 -0.04 0.20 0.00 0.00 0.00 175.76 175.85 3hfa s GLY 316 N -1.22 0.35 0.49 0.00 0.00 -0.44 -0.79 107.32 105.70 3hfa s GLY 316 Ca -0.11 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 3hfa s GLY 316 CO -0.00 -0.88 0.66 2.09 0.00 0.00 0.00 173.10 174.97 3hfa n ASP 317 N 1.12 0.09 0.00 1.64 5.75 -0.98 -1.80 116.55 122.37 3hfa n ASP 317 Ca -0.21 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3hfa n ASP 317 Cb 0.57 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3hfa n ASP 317 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hfa n ARG 318 N -2.40 1.10 -3.39 0.11 5.12 -1.26 -4.50 116.66 111.44 3hfa n ARG 318 Ca 0.08 -0.93 -0.35 0.00 -1.93 0.00 0.00 57.85 54.73 3hfa n ARG 318 Cb 0.29 -0.89 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 3hfa n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hfa s ARG 319 N -0.47 3.95 0.04 5.56 3.52 -1.26 -1.47 118.95 128.82 3hfa s ARG 319 Ca 0.00 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 3hfa s ARG 319 Cb 0.00 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3hfa s ARG 319 CO 0.00 0.49 -0.13 -1.54 -0.81 0.00 0.00 175.30 173.31 3hfa s SER 320 N -1.71 1.51 0.06 -2.12 1.04 -0.66 -4.69 113.70 107.13 3hfa s SER 320 Ca 0.37 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.41 3hfa s SER 320 Cb -0.15 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 3hfa s SER 320 CO 0.19 0.01 -0.15 0.42 0.98 0.00 0.00 173.24 174.69 3hfa s THR 321 N -0.86 1.22 -0.47 2.02 -4.23 -1.26 -0.33 115.64 111.74 3hfa s THR 321 Ca 0.00 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 3hfa s THR 321 Cb -0.08 -1.14 0.12 0.00 1.34 0.00 0.00 72.50 72.75 3hfa s THR 321 CO 0.01 -0.09 0.22 -1.58 -0.54 0.00 0.00 174.62 172.64 3hfa s GLN 322 N -1.51 1.95 7.83 3.99 0.74 0.35 -4.84 119.66 128.17 3hfa s GLN 322 Ca 0.01 -2.23 0.00 0.00 0.05 0.00 0.00 55.36 53.19 3hfa s GLN 322 Cb -0.09 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3hfa s GLN 322 CO 0.02 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.11 3hfa n GLY 323 N 3.81 3.26 0.15 2.59 0.00 -1.26 -2.18 105.19 111.56 3hfa n GLY 323 Ca 0.04 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3hfa n GLY 323 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hfa h ASN 324 N 0.00 0.00 -3.54 1.61 2.35 -2.02 -3.47 115.58 110.51 3hfa h ASN 324 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3hfa h ASN 324 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hfa h ASN 324 CO 0.00 0.11 0.44 -0.04 -1.65 0.00 0.00 177.43 176.29 3hfa s MET 325 N -3.22 4.62 -0.26 0.81 -1.94 -0.93 -4.98 119.30 113.40 3hfa s MET 325 Ca 0.03 1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 55.34 3hfa s MET 325 Cb 0.08 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.60 3hfa s MET 325 CO 0.74 0.10 1.21 0.42 -0.01 0.00 0.00 175.02 177.48 3hfa s ILE 326 N -0.05 4.33 -0.83 2.53 1.01 -1.26 -0.49 121.20 126.43 3hfa s ILE 326 Ca 0.49 1.54 0.13 0.00 0.00 0.00 0.00 60.65 62.81 3hfa s ILE 326 Cb -0.27 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 3hfa s ILE 326 CO 0.33 -0.36 0.61 -1.54 0.00 0.00 0.00 174.94 173.98 3hfa n SER 327 N 7.04 0.92 -3.55 3.58 3.41 0.56 -4.91 113.62 120.67 3hfa n SER 327 Ca 0.14 -0.96 -0.15 0.00 -0.26 0.00 0.00 58.87 57.63 3hfa n SER 327 Cb 0.46 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.14 3hfa n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hfa s GLY 328 N -1.96 -0.48 0.00 5.00 0.00 -0.97 -4.90 107.32 104.01 3hfa s GLY 328 Ca 0.07 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.43 3hfa s GLY 328 CO 0.44 1.11 0.21 0.54 0.00 0.00 0.00 173.10 175.40 3hfa n ARG 329 N 1.14 1.14 -0.35 2.90 1.74 -1.25 -1.65 116.66 120.34 3hfa n ARG 329 Ca -0.16 -0.21 0.02 0.00 -0.77 0.00 0.00 57.85 56.73 3hfa n ARG 329 Cb 0.57 -0.65 0.03 0.00 -1.02 0.00 0.00 32.46 31.39 3hfa n ARG 329 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hfa n ASP 330 N -0.22 0.58 -4.73 0.55 5.68 -0.95 -4.65 116.55 112.81 3hfa n ASP 330 Ca 0.00 -2.15 -0.42 0.00 -0.50 0.00 0.00 54.79 51.71 3hfa n ASP 330 Cb 0.06 -0.23 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 3hfa n ASP 330 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hfa n VAL 331 N -0.33 0.81 -3.75 2.12 0.31 -0.54 -4.97 118.33 111.98 3hfa n VAL 331 Ca 0.04 -0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 63.80 3hfa n VAL 331 Cb 0.66 -1.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 3hfa n VAL 331 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hfa s ARG 332 N -0.18 3.85 0.00 5.55 0.52 -1.26 -4.23 118.95 123.21 3hfa s ARG 332 Ca 0.67 -0.38 0.05 0.00 -0.52 0.00 0.00 55.73 55.55 3hfa s ARG 332 Cb -0.52 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.53 3hfa s ARG 332 CO 0.46 -0.07 0.47 1.63 0.02 0.00 0.00 175.30 177.81 3hfa n LYS 333 N 4.62 1.98 -4.03 3.54 5.02 -1.26 -4.95 118.16 123.09 3hfa n LYS 333 Ca -0.15 -0.49 -0.34 0.00 -2.02 0.00 0.00 58.31 55.31 3hfa n LYS 333 Cb 0.52 -0.94 -0.15 0.00 -0.02 0.00 0.00 35.03 34.43 3hfa n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hfa s VAL 334 N -0.81 2.61 -0.05 -0.18 1.01 -1.26 -2.57 120.40 119.15 3hfa s VAL 334 Ca 0.04 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3hfa s VAL 334 Cb 0.04 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3hfa s VAL 334 CO 0.11 0.43 -0.25 -0.31 0.00 0.00 0.00 175.10 175.08 3hfa s TYR 335 N 1.35 2.43 -0.15 5.22 2.02 0.34 -4.96 117.35 123.61 3hfa s TYR 335 Ca 0.04 -0.64 -0.29 0.00 -0.37 0.00 0.00 57.07 55.80 3hfa s TYR 335 Cb -0.14 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3hfa s TYR 335 CO -0.08 -0.17 1.22 0.42 -1.57 0.00 0.00 175.55 175.37 3hfa s ILE 336 N -0.27 4.33 -0.06 2.71 1.01 -1.26 -0.20 121.20 127.45 3hfa s ILE 336 Ca -0.00 1.62 0.15 0.00 0.00 0.00 0.00 60.65 62.41 3hfa s ILE 336 Cb -0.13 -4.04 -0.22 0.00 0.01 0.00 0.00 42.46 38.07 3hfa s ILE 336 CO 0.03 -0.11 0.25 0.35 0.00 0.00 0.00 174.94 175.45 3hfa n THR 337 N 5.20 0.34 -3.12 2.92 -2.24 -0.56 -4.94 114.28 111.87 3hfa n THR 337 Ca 0.13 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 3hfa n THR 337 Cb 0.45 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3hfa n THR 337 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hfa n ASP 338 N -2.22 -0.13 0.29 3.42 5.68 -1.19 -4.46 116.55 117.94 3hfa n ASP 338 Ca -0.10 -1.10 0.16 0.00 -0.50 0.00 0.00 54.79 53.26 3hfa n ASP 338 Cb 0.60 0.22 0.94 0.00 -1.14 0.00 0.00 41.12 41.74 3hfa n ASP 338 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hfa h ASP 339 N 0.12 0.00 0.00 -1.12 3.32 -1.95 -3.09 116.42 113.70 3hfa h ASP 339 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hfa h ASP 339 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hfa h ASP 339 CO 0.03 0.00 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.12 3hfa n TYR 340 N -3.73 0.00 -3.96 4.55 4.01 -1.26 0.15 117.16 116.92 3hfa n TYR 340 Ca -0.02 -0.39 -0.09 0.00 -0.16 0.00 0.00 57.90 57.23 3hfa n TYR 340 Cb 0.13 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 3hfa n TYR 340 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hfa s THR 341 N -1.08 0.12 0.02 -0.72 -4.23 -1.17 -1.18 115.64 107.41 3hfa s THR 341 Ca 0.11 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3hfa s THR 341 Cb 0.09 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 3hfa s THR 341 CO 0.01 -0.53 -0.05 0.00 -0.54 0.00 0.00 174.62 173.51 3hfa s ALA 342 N -1.79 0.30 -0.08 3.99 0.00 0.59 -1.50 121.76 123.27 3hfa s ALA 342 Ca -0.13 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3hfa s ALA 342 Cb -0.07 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 342 CO -0.02 -0.06 -0.19 0.99 0.00 0.00 0.00 175.76 176.48 3hfa s THR 343 N -1.06 1.66 -0.08 0.00 2.01 0.72 -1.19 115.64 117.70 3hfa s THR 343 Ca -0.09 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.14 3hfa s THR 343 Cb -0.08 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3hfa s THR 343 CO -0.00 0.47 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.39 3hfa s GLY 344 N 0.35 1.44 -0.07 4.40 0.00 -0.40 -0.50 107.32 112.54 3hfa s GLY 344 Ca -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3hfa s GLY 344 CO 0.06 -0.55 -0.11 -0.42 0.00 0.00 0.00 173.10 172.08 3hfa s ILE 345 N -0.19 1.05 -0.01 0.90 1.01 -1.06 0.46 121.20 123.36 3hfa s ILE 345 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3hfa s ILE 345 Cb -0.13 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3hfa s ILE 345 CO 0.03 0.34 -0.02 0.00 0.00 0.00 0.00 174.94 175.29 3hfa s ALA 346 N 0.78 3.20 0.00 9.38 0.00 -0.64 -4.95 121.76 129.53 3hfa s ALA 346 Ca -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3hfa s ALA 346 Cb -0.15 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3hfa s ALA 346 CO 0.02 0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.82 3hfa n GLY 347 N 1.54 0.46 3.69 0.00 0.00 -1.26 -0.68 105.19 108.93 3hfa n GLY 347 Ca -0.15 -2.22 -0.57 0.00 0.00 0.00 0.00 46.02 43.08 3hfa n GLY 347 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hfa n THR 348 N 0.00 0.31 -0.09 2.61 -1.04 -0.20 -4.83 114.28 111.05 3hfa n THR 348 Ca 0.00 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 3hfa n THR 348 Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3hfa n THR 348 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfa h ALA 349 N 7.66 0.24 -0.98 2.41 0.00 -1.96 -0.14 119.26 126.49 3hfa h ALA 349 Ca -0.45 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 349 Cb 1.32 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3hfa h ALA 349 CO 0.97 -0.45 0.65 0.00 0.00 0.00 0.00 179.25 180.42 3hfa h ALA 350 N 1.32 1.33 -0.18 0.00 0.00 -2.00 -1.74 119.26 117.99 3hfa h ALA 350 Ca 0.16 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 350 Cb 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hfa h ALA 350 CO -0.33 0.60 -0.69 0.28 0.00 0.00 0.00 179.25 179.11 3hfa h VAL 351 N 1.29 1.30 -0.03 0.00 2.07 -1.71 -2.85 116.25 116.32 3hfa h VAL 351 Ca 0.37 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 3hfa h VAL 351 Cb -0.08 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3hfa h VAL 351 CO -0.10 0.61 0.02 0.00 0.02 0.00 0.00 177.57 178.12 3hfa h ALA 352 N 0.71 0.04 -0.54 1.67 0.00 -0.39 -0.87 119.26 119.87 3hfa h ALA 352 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 352 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3hfa h ALA 352 CO 0.14 -0.44 0.27 0.28 0.00 0.00 0.00 179.25 179.49 3hfa h VAL 353 N 0.01 1.20 -0.24 0.00 2.07 -1.40 -1.90 116.25 115.99 3hfa h VAL 353 Ca 0.01 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3hfa h VAL 353 Cb 0.03 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3hfa h VAL 353 CO -0.00 0.22 -0.08 -0.33 0.02 0.00 0.00 177.57 177.39 3hfa h GLU 354 N 0.72 -0.04 0.07 1.57 5.08 -1.34 -1.17 114.58 119.46 3hfa h GLU 354 Ca 0.19 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3hfa h GLU 354 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3hfa h GLU 354 CO -0.02 -0.03 -0.39 0.74 -1.00 0.00 0.00 179.01 178.31 3hfa h PHE 355 N -0.04 -1.10 -0.37 4.33 0.04 -0.80 0.77 116.94 119.77 3hfa h PHE 355 Ca 0.12 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 3hfa h PHE 355 Cb 0.22 0.47 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3hfa h PHE 355 CO -0.26 -0.49 0.22 0.00 -0.60 0.00 0.00 178.31 177.18 3hfa h ALA 356 N -0.04 0.47 0.11 2.45 0.00 -1.14 0.83 119.26 121.95 3hfa h ALA 356 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 356 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hfa h ALA 356 CO -0.26 -0.02 -0.06 -0.09 0.00 0.00 0.00 179.25 178.82 3hfa h ARG 357 N 0.48 -0.15 -0.68 0.00 2.43 -1.09 -2.42 114.38 112.96 3hfa h ARG 357 Ca 0.13 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3hfa h ARG 357 Cb 0.02 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3hfa h ARG 357 CO -0.02 0.13 0.16 1.25 -1.51 0.00 0.00 179.97 179.98 3hfa h LEU 358 N -0.43 1.03 -0.42 3.80 5.85 -0.75 -2.27 115.31 122.13 3hfa h LEU 358 Ca -0.02 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3hfa h LEU 358 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3hfa h LEU 358 CO 0.03 1.00 0.19 0.22 -0.34 0.00 0.00 178.44 179.54 3hfa h TYR 359 N 1.02 0.61 -0.75 1.25 3.20 -0.84 0.12 116.97 121.57 3hfa h TYR 359 Ca 0.21 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3hfa h TYR 359 Cb 0.37 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hfa h TYR 359 CO 0.03 0.51 0.30 0.00 -1.64 0.00 0.00 178.16 177.36 3hfa h ALA 360 N 1.04 1.11 -0.25 1.82 0.00 -1.34 -0.81 119.26 120.83 3hfa h ALA 360 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 360 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hfa h ALA 360 CO -0.02 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.28 3hfa h VAL 361 N 1.09 1.12 -0.67 0.00 2.07 -0.97 -2.66 116.25 116.24 3hfa h VAL 361 Ca 0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hfa h VAL 361 Cb 0.21 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3hfa h VAL 361 CO -0.02 0.12 0.43 -0.08 0.02 0.00 0.00 177.57 178.04 3hfa h GLU 362 N 0.29 0.89 -0.20 1.57 4.81 -0.30 0.89 114.58 122.53 3hfa h GLU 362 Ca 0.09 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3hfa h GLU 362 Cb 0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3hfa h GLU 362 CO -0.01 0.60 0.11 -0.07 -0.73 0.00 0.00 179.01 178.91 3hfa h LEU 363 N 0.91 0.18 -0.80 1.64 4.07 -1.09 -1.81 115.31 118.41 3hfa h LEU 363 Ca 0.24 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.08 3hfa h LEU 363 Cb -0.09 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3hfa h LEU 363 CO -0.05 0.14 -0.59 -0.08 -1.08 0.00 0.00 178.44 176.78 3hfa h GLU 364 N 0.24 0.00 -0.27 1.13 4.81 -1.27 -2.56 114.58 116.66 3hfa h GLU 364 Ca 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hfa h GLU 364 Cb -0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hfa h GLU 364 CO -0.04 0.59 0.15 1.25 -0.73 0.00 0.00 179.01 180.23 3hfa h HIS 365 N 0.00 0.37 -0.23 0.92 2.76 -0.49 -0.21 115.15 118.28 3hfa h HIS 365 Ca -0.01 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3hfa h HIS 365 Cb 1.06 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 3hfa h HIS 365 CO 0.00 0.31 0.13 -0.92 -1.30 0.00 0.00 177.93 176.15 3hfa h TYR 366 N 0.32 0.31 -0.68 5.26 3.20 -1.23 -1.36 116.97 122.80 3hfa h TYR 366 Ca 0.10 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3hfa h TYR 366 Cb 0.06 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3hfa h TYR 366 CO -0.03 0.27 0.37 1.49 -1.64 0.00 0.00 178.16 178.62 3hfa h GLU 367 N 0.26 0.66 -0.26 1.82 4.81 -1.13 0.88 114.58 121.63 3hfa h GLU 367 Ca 0.08 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3hfa h GLU 367 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hfa h GLU 367 CO -0.01 0.44 -0.47 0.87 -0.73 0.00 0.00 179.01 179.10 3hfa h LYS 368 N 0.68 0.68 -0.32 1.92 1.57 -0.86 0.38 116.57 120.63 3hfa h LYS 368 Ca 0.31 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3hfa h LYS 368 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hfa h LYS 368 CO -0.19 1.01 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.40 3hfa h LEU 369 N 0.54 0.74 -0.37 2.94 3.38 -0.76 -3.34 115.31 118.43 3hfa h LEU 369 Ca 0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hfa h LEU 369 Cb 1.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hfa h LEU 369 CO 0.10 1.02 -0.62 -0.62 0.09 0.00 0.00 178.44 178.40 3hfa n GLU 370 N -4.30 1.50 -0.24 1.13 -0.58 0.26 -4.97 120.64 113.43 3hfa n GLU 370 Ca -0.03 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 3hfa n GLU 370 Cb 0.43 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3hfa n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfa n GLY 371 N 1.33 2.05 3.04 0.62 0.00 0.12 -4.98 105.19 107.36 3hfa n GLY 371 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -3.07 0.12 0.63 1.61 0.11 -1.20 -4.98 120.40 113.62 3hfa s VAL 372 Ca 0.00 -1.03 -0.15 0.00 -2.93 0.00 0.00 61.98 57.88 3hfa s VAL 372 Cb 0.00 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3hfa s VAL 372 CO 0.00 -0.57 1.07 -2.84 -3.33 0.00 0.00 175.10 169.44 3hfa s PRO 373 N -1.98 3.08 0.54 1.54 0.02 -1.26 -3.95 135.00 132.99 3hfa s PRO 373 Ca -0.11 1.21 -0.21 0.00 0.02 0.00 0.00 61.00 61.92 3hfa s PRO 373 Cb -0.06 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3hfa s PRO 373 CO -0.02 -1.01 1.06 1.28 -0.33 0.00 0.00 177.00 177.98 3hfa n LEU 374 N -2.36 3.77 -4.67 -5.54 4.32 -1.26 -5.00 117.00 106.27 3hfa n LEU 374 Ca 0.09 0.91 -0.30 0.00 -0.02 0.00 0.00 56.01 56.69 3hfa n LEU 374 Cb 0.53 -1.42 0.16 0.00 -1.62 0.00 0.00 43.42 41.07 3hfa n LEU 374 CO 0.49 -1.48 0.64 0.42 -1.22 0.00 0.00 177.39 176.24 3hfa s THR 375 N -1.40 2.45 0.21 -5.08 -4.23 -1.26 -4.78 115.64 101.54 3hfa s THR 375 Ca 0.71 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.28 3hfa s THR 375 Cb -0.45 -2.44 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3hfa s THR 375 CO 0.50 -0.19 1.83 0.15 -0.54 0.00 0.00 174.62 176.37 3hfa h PHE 376 N -1.81 1.06 -0.72 3.99 3.57 -1.98 -1.05 116.94 120.00 3hfa h PHE 376 Ca -0.50 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.08 3hfa h PHE 376 Cb 1.29 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 3hfa h PHE 376 CO 0.42 0.74 0.36 0.00 -2.23 0.00 0.00 178.31 177.60 3hfa h ALA 377 N 1.22 1.00 -0.72 2.41 0.00 -2.00 -0.51 119.26 120.67 3hfa h ALA 377 Ca 0.27 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3hfa h ALA 377 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 377 CO -0.04 -0.06 0.36 0.78 0.00 0.00 0.00 179.25 180.28 3hfa h GLY 378 N 0.59 1.11 0.96 0.00 0.00 -1.66 -0.93 103.07 103.13 3hfa h GLY 378 Ca 0.36 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3hfa h GLY 378 CO -0.28 0.51 0.45 0.50 0.00 0.00 0.00 176.54 177.72 3hfa h LYS 379 N 1.01 0.88 -0.24 4.80 1.57 -0.19 -1.45 116.57 122.94 3hfa h LYS 379 Ca 0.25 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3hfa h LYS 379 Cb 0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hfa h LYS 379 CO -0.03 0.58 0.12 0.82 -0.57 0.00 0.00 179.45 180.37 3hfa h ILE 380 N 0.90 1.00 -0.55 1.86 2.04 -0.78 -2.49 117.51 119.49 3hfa h ILE 380 Ca 0.26 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3hfa h ILE 380 Cb -0.06 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3hfa h ILE 380 CO -0.07 0.05 0.32 -1.13 0.00 0.00 0.00 178.15 177.31 3hfa h ASN 381 N 0.26 0.68 -0.75 1.72 -1.24 -0.78 -1.07 115.58 114.40 3hfa h ASN 381 Ca 0.10 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.99 3hfa h ASN 381 Cb 0.02 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 3hfa h ASN 381 CO -0.06 0.56 0.29 0.03 -1.29 0.00 0.00 177.43 176.96 3hfa h ARG 382 N 0.75 1.13 -0.50 6.67 2.47 -1.17 -0.12 114.38 123.61 3hfa h ARG 382 Ca 0.20 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 3hfa h ARG 382 Cb 0.01 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 3hfa h ARG 382 CO -0.03 0.93 0.13 1.25 0.56 0.00 0.00 179.97 182.81 3hfa h LEU 383 N 1.09 0.75 -0.56 3.04 5.85 -1.15 -1.57 115.31 122.77 3hfa h LEU 383 Ca 0.25 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hfa h LEU 383 Cb 0.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hfa h LEU 383 CO -0.02 0.77 0.26 0.00 -0.34 0.00 0.00 178.44 179.12 3hfa h ALA 384 N 1.00 0.72 -0.58 1.25 0.00 -0.76 -0.66 119.26 120.23 3hfa h ALA 384 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 384 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hfa h ALA 384 CO -0.00 0.28 0.22 0.82 0.00 0.00 0.00 179.25 180.57 3hfa h ILE 385 N 0.75 1.23 -0.39 0.00 2.04 -0.90 -0.08 117.51 120.16 3hfa h ILE 385 Ca 0.19 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hfa h ILE 385 Cb 0.12 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3hfa h ILE 385 CO -0.02 0.28 0.22 -0.03 0.00 0.00 0.00 178.15 178.60 3hfa h MET 386 N 0.81 0.43 -0.48 2.37 4.05 -0.91 -0.94 114.93 120.26 3hfa h MET 386 Ca 0.19 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hfa h MET 386 Cb 0.22 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3hfa h MET 386 CO -0.01 0.29 0.32 0.28 0.23 0.00 0.00 176.91 178.01 3hfa h VAL 387 N 0.45 1.12 -0.81 -5.77 2.07 -0.70 -2.42 116.25 110.19 3hfa h VAL 387 Ca 0.15 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3hfa h VAL 387 Cb 0.02 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3hfa h VAL 387 CO -0.08 0.12 0.53 -0.09 0.02 0.00 0.00 177.57 178.07 3hfa h ARG 388 N 0.65 0.97 -0.10 1.57 2.43 -0.63 -0.86 114.38 118.42 3hfa h ARG 388 Ca 0.17 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hfa h ARG 388 Cb -0.08 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3hfa h ARG 388 CO -0.04 0.64 0.15 0.78 -1.51 0.00 0.00 179.97 179.99 3hfa h GLY 389 N 1.00 0.00 -1.29 2.80 0.00 -0.66 -1.12 103.07 103.79 3hfa h GLY 389 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hfa h GLY 389 CO -0.09 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.44 3hfa n ASN 390 N -3.58 2.32 -0.12 0.19 5.15 -0.33 -4.53 115.26 114.36 3hfa n ASN 390 Ca -0.00 -1.78 -0.04 0.00 -0.60 0.00 0.00 54.58 52.15 3hfa n ASN 390 Cb 0.24 -0.07 0.03 0.00 -0.53 0.00 0.00 39.78 39.45 3hfa n ASN 390 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3hfa h LEU 391 N 3.39 -0.18 -0.16 1.20 5.85 -1.19 0.29 115.31 124.50 3hfa h LEU 391 Ca 0.00 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hfa h LEU 391 Cb 0.73 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3hfa h LEU 391 CO 0.00 -0.05 -0.12 0.00 -0.34 0.00 0.00 178.44 177.92 3hfa h ALA 392 N 1.36 -0.00 -0.88 1.25 0.00 -1.81 0.13 119.26 119.30 3hfa h ALA 392 Ca 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hfa h ALA 392 Cb 0.28 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3hfa h ALA 392 CO -0.34 -0.56 0.52 0.00 0.00 0.00 0.00 179.25 178.87 3hfa h ALA 393 N 0.98 1.26 -0.65 0.00 0.00 -1.71 -2.63 119.26 116.51 3hfa h ALA 393 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 393 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hfa h ALA 393 CO -0.24 0.63 0.28 0.00 0.00 0.00 0.00 179.25 179.92 3hfa h ALA 394 N 1.35 1.27 0.00 0.00 0.00 0.56 0.28 119.26 122.72 3hfa h ALA 394 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 394 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3hfa h ALA 394 CO -0.06 0.55 0.00 0.52 0.00 0.00 0.00 179.25 180.26 3hfa h MET 395 N 0.93 0.00 -0.35 0.00 2.86 -0.64 -1.18 114.93 116.55 3hfa h MET 395 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3hfa h MET 395 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hfa h MET 395 CO -0.02 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.99 3hfa n GLN 396 N -2.38 2.18 0.00 1.72 1.13 -0.02 -4.93 117.38 115.08 3hfa n GLN 396 Ca 0.02 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.28 3hfa n GLN 396 Cb 0.22 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3hfa n GLN 396 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hfa n GLY 397 N 1.34 0.47 2.61 1.08 0.00 -0.45 -5.00 105.19 105.24 3hfa n GLY 397 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hfa n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfa n LEU 398 N 0.00 7.59 -4.72 0.99 4.77 -0.54 -4.88 117.00 120.21 3hfa n LEU 398 Ca 0.00 -5.00 -0.36 0.00 -0.03 0.00 0.00 56.01 50.62 3hfa n LEU 398 Cb 0.00 -1.32 -0.07 0.00 -2.33 0.00 0.00 43.42 39.69 3hfa n LEU 398 CO 0.00 1.94 -0.07 -0.22 -1.33 0.00 0.00 177.39 177.71 3hfa s LEU 399 N -2.44 4.22 -0.01 2.23 2.96 -1.26 -3.75 118.68 120.64 3hfa s LEU 399 Ca 0.47 0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 3hfa s LEU 399 Cb 0.16 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3hfa s LEU 399 CO -0.08 0.12 0.02 0.00 -1.32 0.00 0.00 176.35 175.10 3hfa s ALA 400 N 0.48 -0.06 -0.11 5.97 0.00 -1.26 -1.03 121.76 125.75 3hfa s ALA 400 Ca 0.13 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3hfa s ALA 400 Cb -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3hfa s ALA 400 CO 0.02 -0.02 -0.17 -0.51 0.00 0.00 0.00 175.76 175.08 3hfa s LEU 401 N -0.06 1.81 0.38 0.00 1.43 0.14 -4.94 118.68 117.45 3hfa s LEU 401 Ca -0.01 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 3hfa s LEU 401 Cb -0.01 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 3hfa s LEU 401 CO 0.00 0.03 0.74 -2.16 0.23 0.00 0.00 176.35 175.19 3hfa s PRO 402 N 0.94 3.78 -0.09 1.29 0.05 -1.26 -1.63 135.00 138.08 3hfa s PRO 402 Ca -0.07 0.43 0.04 0.00 0.05 0.00 0.00 61.00 61.45 3hfa s PRO 402 Cb -0.15 -2.42 0.00 0.00 0.05 0.00 0.00 34.50 31.98 3hfa s PRO 402 CO -0.02 0.01 -0.22 -1.17 0.05 0.00 0.00 177.00 175.66 3hfa s LEU 403 N -3.73 2.01 -0.15 -3.56 2.96 0.17 -3.63 118.68 112.74 3hfa s LEU 403 Ca 0.51 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3hfa s LEU 403 Cb -0.10 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3hfa s LEU 403 CO 0.30 0.14 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.17 3hfa s LEU 404 N 0.41 3.03 -0.01 -0.68 2.96 0.13 -1.27 118.68 123.24 3hfa s LEU 404 Ca -0.18 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3hfa s LEU 404 Cb -0.18 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3hfa s LEU 404 CO 0.08 0.15 -0.24 0.00 -1.32 0.00 0.00 176.35 175.02 3hfa s ALA 405 N 0.48 1.99 0.26 5.97 0.00 -0.33 -0.34 121.76 129.79 3hfa s ALA 405 Ca -0.05 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 3hfa s ALA 405 Cb -0.15 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3hfa s ALA 405 CO 0.03 0.49 0.62 0.20 0.00 0.00 0.00 175.76 177.10 3hfa s GLY 406 N -0.61 0.09 -0.18 0.00 0.00 -0.05 -0.30 107.32 106.27 3hfa s GLY 406 Ca 0.09 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.36 3hfa s GLY 406 CO -0.01 -0.26 -0.13 -0.47 0.00 0.00 0.00 173.10 172.23 3hfa s TYR 407 N -3.94 2.45 -0.61 1.90 5.04 -0.32 0.24 117.35 122.10 3hfa s TYR 407 Ca 0.14 -1.53 -0.24 0.00 -2.44 0.00 0.00 57.07 53.00 3hfa s TYR 407 Cb -0.04 -1.69 0.05 0.00 0.35 0.00 0.00 41.96 40.63 3hfa s TYR 407 CO 0.06 -0.74 1.02 0.34 -1.34 0.00 0.00 175.55 174.89 3hfa s ASP 408 N 1.39 6.27 0.61 4.32 2.15 -0.18 -4.88 116.67 126.35 3hfa s ASP 408 Ca 0.01 -0.53 0.38 0.00 0.43 0.00 0.00 52.55 52.85 3hfa s ASP 408 Cb -0.15 -2.46 1.98 0.00 -0.30 0.00 0.00 42.92 42.00 3hfa s ASP 408 CO -0.09 -1.40 2.23 0.16 -0.17 0.00 0.00 175.17 175.89 3hfa h ILE 409 N 6.02 0.13 -0.01 4.11 3.07 -1.97 -1.83 117.51 127.02 3hfa h ILE 409 Ca -0.27 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.93 3hfa h ILE 409 Cb 1.07 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 3hfa h ILE 409 CO 1.15 0.02 -0.06 1.41 -1.05 0.00 0.00 178.15 179.62 3hfa n HIS 410 N -3.23 0.00 -2.08 0.16 8.25 -1.26 -4.94 115.22 112.12 3hfa n HIS 410 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.15 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.26 3hfa n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfa s ALA 411 N -2.12 2.66 0.02 -1.41 0.00 -0.69 -4.96 121.76 115.26 3hfa s ALA 411 Ca 0.34 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 3hfa s ALA 411 Cb 0.20 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 3hfa s ALA 411 CO 0.38 -1.03 1.31 0.77 0.00 0.00 0.00 175.76 177.19 3hfa h SER 412 N 1.17 -0.32 -3.30 0.00 0.02 -1.92 -3.41 113.55 105.79 3hfa h SER 412 Ca -0.50 -0.17 -0.73 0.00 -0.84 0.00 0.00 61.79 59.54 3hfa h SER 412 Cb 1.28 0.08 -0.26 0.00 0.14 0.00 0.00 62.40 63.65 3hfa h SER 412 CO 0.56 0.01 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.29 3hfa s ASP 413 N -5.09 5.93 0.59 3.07 2.15 -1.26 -4.95 116.67 117.11 3hfa s ASP 413 Ca -0.14 -1.57 0.29 0.00 0.43 0.00 0.00 52.55 51.55 3hfa s ASP 413 Cb 0.03 -2.10 1.66 0.00 -0.30 0.00 0.00 42.92 42.21 3hfa s ASP 413 CO 0.57 -0.67 2.10 -0.65 -0.17 0.00 0.00 175.17 176.36 3hfa h PRO 414 N 8.63 0.00 -0.45 4.34 0.11 -1.95 -1.27 132.00 141.42 3hfa h PRO 414 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3hfa h PRO 414 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hfa h PRO 414 CO 0.87 0.00 0.13 1.96 -0.21 0.00 0.00 178.00 180.76 3hfa h GLN 415 N 0.00 0.66 -0.07 1.05 1.08 -1.92 -3.15 115.11 112.75 3hfa h GLN 415 Ca 0.08 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3hfa h GLN 415 Cb 0.48 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3hfa h GLN 415 CO -0.00 0.58 -0.32 -1.13 -0.95 0.00 0.00 178.83 177.00 3hfa n SER 416 N -4.33 2.03 0.00 1.46 3.41 -0.52 -0.45 113.62 115.22 3hfa n SER 416 Ca 0.03 -3.72 0.14 0.00 -0.26 0.00 0.00 58.87 55.06 3hfa n SER 416 Cb 0.18 -0.53 0.71 0.00 -0.26 0.00 0.00 64.21 64.31 3hfa n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfa n ALA 417 N -1.15 2.40 -1.76 7.33 0.00 -0.97 -4.82 120.51 121.54 3hfa n ALA 417 Ca 0.21 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3hfa n ALA 417 Cb 0.75 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.76 3hfa n ALA 417 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hfa s GLY 418 N -2.59 2.87 -0.01 0.00 0.00 -1.26 -1.01 107.32 105.32 3hfa s GLY 418 Ca 0.26 1.23 0.01 0.00 0.00 0.00 0.00 44.72 46.23 3hfa s GLY 418 CO 0.44 1.76 -0.05 0.50 0.00 0.00 0.00 173.10 175.75 3hfa s ARG 419 N -2.66 0.46 -0.08 2.90 1.81 0.14 -4.89 118.95 116.62 3hfa s ARG 419 Ca 0.65 -0.15 0.01 0.00 -1.72 0.00 0.00 55.73 54.53 3hfa s ARG 419 Cb -0.37 -0.47 0.02 0.00 -0.45 0.00 0.00 34.95 33.67 3hfa s ARG 419 CO 0.46 0.06 -0.11 0.42 -0.68 0.00 0.00 175.30 175.45 3hfa s ILE 420 N 0.13 1.13 -0.06 1.52 1.01 -1.26 -0.87 121.20 122.80 3hfa s ILE 420 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3hfa s ILE 420 Cb -0.05 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.37 3hfa s ILE 420 CO -0.00 0.36 -0.10 -0.69 0.00 0.00 0.00 174.94 174.51 3hfa s VAL 421 N 0.98 0.98 0.25 2.92 1.01 0.54 -0.29 120.40 126.79 3hfa s VAL 421 Ca -0.08 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3hfa s VAL 421 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3hfa s VAL 421 CO -0.00 0.32 0.17 -0.94 0.00 0.00 0.00 175.10 174.65 3hfa s SER 422 N 0.77 5.42 0.02 3.32 1.04 -0.48 -0.70 113.70 123.10 3hfa s SER 422 Ca -0.13 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3hfa s SER 422 Cb -0.15 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 3hfa s SER 422 CO 0.02 -0.03 -0.06 -0.36 0.98 0.00 0.00 173.24 173.80 3hfa s PHE 423 N -2.13 0.51 0.52 5.02 0.08 -1.24 -1.07 117.98 119.67 3hfa s PHE 423 Ca 0.33 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.19 3hfa s PHE 423 Cb -0.08 -0.32 0.04 0.00 -0.57 0.00 0.00 43.02 42.09 3hfa s PHE 423 CO 0.24 -0.05 0.55 0.16 -0.10 0.00 0.00 175.22 176.03 3hfa s ASP 424 N -0.76 4.98 0.33 1.36 1.47 -0.06 -4.71 116.67 119.28 3hfa s ASP 424 Ca -0.04 -0.93 0.26 0.00 1.18 0.00 0.00 52.55 53.03 3hfa s ASP 424 Cb -0.05 0.07 1.06 0.00 -0.34 0.00 0.00 42.92 43.65 3hfa s ASP 424 CO 0.00 -1.06 1.78 0.00 0.68 0.00 0.00 175.17 176.56 3hfa h ALA 425 N 0.59 1.00 -0.36 2.11 0.00 -1.92 -2.39 119.26 118.30 3hfa h ALA 425 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hfa h ALA 425 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hfa h ALA 425 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3hfa n ALA 426 N -1.85 2.44 -0.26 0.00 0.00 -1.26 -4.42 120.51 115.16 3hfa n ALA 426 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3hfa n ALA 426 Cb 0.26 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3hfa n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfa n GLY 427 N 1.42 0.74 3.77 0.00 0.00 -0.90 -4.57 105.19 105.65 3hfa n GLY 427 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hfa n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfa s GLY 428 N -1.61 2.91 0.09 -0.02 0.00 -1.26 -4.75 107.32 102.68 3hfa s GLY 428 Ca 0.00 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.04 3hfa s GLY 428 CO 0.00 1.85 -0.12 0.66 0.00 0.00 0.00 173.10 175.49 3hfa s TRP 429 N -1.27 1.13 -0.05 1.90 1.48 -1.26 -0.88 118.94 119.99 3hfa s TRP 429 Ca 0.59 -0.56 -0.02 0.00 -1.06 0.00 0.00 56.10 55.05 3hfa s TRP 429 Cb -0.39 -0.62 0.04 0.00 -1.16 0.00 0.00 33.47 31.33 3hfa s TRP 429 CO 0.50 0.04 0.09 1.21 -4.06 0.00 0.00 176.95 174.72 3hfa s ASN 430 N -2.13 0.78 -0.33 -2.66 2.47 -0.23 -4.98 114.94 107.85 3hfa s ASN 430 Ca 0.02 0.16 -0.29 0.00 0.42 0.00 0.00 52.86 53.17 3hfa s ASN 430 Cb -0.06 0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 3hfa s ASN 430 CO 0.01 -0.22 1.30 -0.63 -3.72 0.00 0.00 177.10 173.84 3hfa s ILE 431 N 1.96 4.11 0.18 -5.21 1.01 -1.26 -1.38 121.20 120.61 3hfa s ILE 431 Ca 0.01 1.23 -0.31 0.00 0.00 0.00 0.00 60.65 61.59 3hfa s ILE 431 Cb -0.12 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 3hfa s ILE 431 CO -0.04 -0.56 1.40 -0.70 0.00 0.00 0.00 174.94 175.05 3hfa s GLU 432 N 4.30 4.31 0.00 2.79 2.56 0.61 -4.93 118.70 128.34 3hfa s GLU 432 Ca 0.56 2.16 0.09 0.00 0.00 0.00 0.00 54.97 57.78 3hfa s GLU 432 Cb -0.15 -3.19 0.02 0.00 2.00 0.00 0.00 34.13 32.81 3hfa s GLU 432 CO 0.25 -0.40 0.67 0.39 -0.56 0.00 0.00 175.26 175.61 3hfa n GLU 433 N 3.21 1.53 -0.21 4.30 1.02 -1.26 -4.61 120.64 124.62 3hfa n GLU 433 Ca 0.09 -0.75 0.11 0.00 -0.02 0.00 0.00 57.16 56.60 3hfa n GLU 433 Cb 0.41 -1.10 0.22 0.00 -0.02 0.00 0.00 31.44 30.95 3hfa n GLU 433 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hfa n GLU 434 N 0.00 2.47 0.00 3.49 1.02 -1.26 -4.98 120.64 121.39 3hfa n GLU 434 Ca 0.04 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 3hfa n GLU 434 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3hfa n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hfa n GLY 435 N 1.41 3.28 3.56 0.62 0.00 -1.26 -5.02 105.19 107.77 3hfa n GLY 435 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3hfa n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hfa s TYR 436 N -2.90 0.12 0.20 1.61 -0.85 -1.26 -0.43 117.35 113.83 3hfa s TYR 436 Ca 0.00 -0.49 -0.23 0.00 -0.52 0.00 0.00 57.07 55.83 3hfa s TYR 436 Cb 0.00 0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.68 3hfa s TYR 436 CO 0.00 -0.96 0.72 -1.14 -1.52 0.00 0.00 175.55 172.65 3hfa s GLN 437 N -3.94 1.45 -0.01 -3.49 2.00 -0.22 -4.95 119.66 110.49 3hfa s GLN 437 Ca 0.15 -0.70 -0.24 0.00 -2.00 0.00 0.00 55.36 52.57 3hfa s GLN 437 Cb -0.01 0.56 0.05 0.00 0.80 0.00 0.00 33.01 34.41 3hfa s GLN 437 CO 0.03 -0.65 0.54 0.00 -0.50 0.00 0.00 175.29 174.70 3hfa s ALA 438 N -3.71 -1.38 0.04 1.58 0.00 -1.26 -1.41 121.76 115.61 3hfa s ALA 438 Ca 0.07 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3hfa s ALA 438 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3hfa s ALA 438 CO -0.02 -0.38 -0.05 0.54 0.00 0.00 0.00 175.76 175.85 3hfa s VAL 439 N -1.60 0.33 0.00 0.00 0.11 -0.07 -4.88 120.40 114.30 3hfa s VAL 439 Ca -0.10 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 3hfa s VAL 439 Cb -0.02 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3hfa s VAL 439 CO 0.05 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 171.93 3hfa n GLY 440 N 1.36 0.97 0.34 6.54 0.00 -1.26 -1.06 105.19 112.08 3hfa n GLY 440 Ca -0.22 -2.25 0.22 0.00 0.00 0.00 0.00 46.02 43.77 3hfa n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 441 N 0.00 0.00 -0.29 1.61 4.64 -1.16 -1.53 113.55 116.83 3hfa h SER 441 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfa h SER 441 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hfa h SER 441 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hfa n GLY 442 N -1.09 3.05 0.32 -0.77 0.00 -1.14 -4.74 105.19 100.83 3hfa n GLY 442 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.54 3hfa n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 443 N 1.71 0.67 -0.23 1.61 4.64 -1.52 -1.69 113.55 118.75 3hfa h SER 443 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hfa h SER 443 Cb 0.83 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3hfa h SER 443 CO 0.04 0.53 0.15 -0.07 -0.87 0.00 0.00 176.83 176.61 3hfa h LEU 444 N 0.77 0.25 -0.85 5.97 4.07 -1.85 -0.39 115.31 123.29 3hfa h LEU 444 Ca 0.20 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 444 Cb -0.00 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3hfa h LEU 444 CO -0.04 0.18 0.15 -0.26 -1.08 0.00 0.00 178.44 177.40 3hfa h PHE 445 N 0.30 1.05 -0.45 1.13 0.04 -1.79 -1.33 116.94 115.88 3hfa h PHE 445 Ca 0.08 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 3hfa h PHE 445 Cb -0.03 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3hfa h PHE 445 CO -0.06 0.86 -0.08 0.00 -0.60 0.00 0.00 178.31 178.43 3hfa h ALA 446 N 1.20 0.61 -0.17 2.45 0.00 -1.13 -2.11 119.26 120.11 3hfa h ALA 446 Ca 0.20 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3hfa h ALA 446 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hfa h ALA 446 CO 0.00 0.48 -0.57 0.87 0.00 0.00 0.00 179.25 180.03 3hfa h LYS 447 N 0.68 0.54 -0.05 0.00 1.57 -0.86 -0.06 116.57 118.39 3hfa h LYS 447 Ca 0.12 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 3hfa h LYS 447 Cb 0.61 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hfa h LYS 447 CO 0.04 0.96 -0.44 0.77 -0.57 0.00 0.00 179.45 180.21 3hfa h SER 448 N 0.41 0.11 -0.12 0.86 0.02 -1.22 0.50 113.55 114.10 3hfa h SER 448 Ca 0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3hfa h SER 448 Cb 1.11 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 3hfa h SER 448 CO 0.11 0.53 -0.09 -1.28 -1.14 0.00 0.00 176.83 174.96 3hfa h SER 449 N 0.09 0.29 -0.07 3.07 0.87 -1.13 -3.25 113.55 113.42 3hfa h SER 449 Ca 0.00 -0.46 -0.08 0.00 -1.23 0.00 0.00 61.79 60.03 3hfa h SER 449 Cb 0.81 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3hfa h SER 449 CO 0.06 0.69 -0.17 0.24 -0.53 0.00 0.00 176.83 177.11 3hfa h MET 450 N -0.10 0.43 -1.00 2.24 2.07 -0.75 -1.56 114.93 116.26 3hfa h MET 450 Ca 0.02 -0.13 0.22 0.00 -2.07 0.00 0.00 59.70 57.74 3hfa h MET 450 Cb 0.59 -0.04 -0.10 0.00 -1.87 0.00 0.00 31.60 30.18 3hfa h MET 450 CO 0.02 0.60 0.62 -0.22 1.07 0.00 0.00 176.91 179.00 3hfa h LYS 451 N 0.40 0.59 0.00 1.72 3.64 -0.93 0.25 116.57 122.24 3hfa h LYS 451 Ca 0.07 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.17 3hfa h LYS 451 Cb 0.54 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3hfa h LYS 451 CO 0.03 0.39 -1.43 0.87 -2.27 0.00 0.00 179.45 177.04 3hfa h LYS 452 N 0.61 0.00 0.00 1.90 1.79 -1.36 -3.39 116.57 116.12 3hfa h LYS 452 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 3hfa h LYS 452 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3hfa h LYS 452 CO -0.37 0.59 -1.51 1.28 -1.08 0.00 0.00 179.45 178.36 3hfa n LEU 453 N -3.11 0.40 0.25 2.94 4.77 -0.69 -4.50 117.00 117.06 3hfa n LEU 453 Ca -0.11 -0.06 0.09 0.00 -0.03 0.00 0.00 56.01 55.91 3hfa n LEU 453 Cb 0.98 -0.03 0.67 0.00 -2.33 0.00 0.00 43.42 42.71 3hfa n LEU 453 CO 0.45 0.03 1.08 0.22 -1.33 0.00 0.00 177.39 177.84 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.73 -0.39 116.97 117.28 3hfa h TYR 454 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hfa h TYR 454 Cb 0.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3hfa h TYR 454 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 3hfa h SER 455 N 0.00 0.00 0.42 -2.11 4.64 -1.83 -1.06 113.55 113.61 3hfa h SER 455 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hfa h SER 455 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hfa h SER 455 CO -0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 3hfa n GLN 456 N -2.95 0.60 -2.84 4.77 6.02 -0.16 -4.81 117.38 118.02 3hfa n GLN 456 Ca -0.02 -0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.39 3hfa n GLN 456 Cb 0.11 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 3hfa n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hfa s VAL 457 N -2.51 4.67 0.00 5.09 1.01 -0.40 -4.80 120.40 123.45 3hfa s VAL 457 Ca 0.29 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3hfa s VAL 457 Cb 0.20 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3hfa s VAL 457 CO 0.47 -0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.53 3hfa n THR 458 N 5.75 0.00 -3.99 3.92 -2.24 -1.26 -4.86 114.28 111.60 3hfa n THR 458 Ca 0.06 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3hfa n THR 458 Cb 0.48 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 3hfa n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hfa s ASP 459 N -0.84 0.60 0.34 3.42 1.47 -1.26 -4.39 116.67 116.01 3hfa s ASP 459 Ca 0.00 -1.36 0.03 0.00 1.18 0.00 0.00 52.55 52.39 3hfa s ASP 459 Cb 0.00 0.73 0.64 0.00 -0.34 0.00 0.00 42.92 43.95 3hfa s ASP 459 CO 0.00 -1.44 1.98 1.23 0.68 0.00 0.00 175.17 177.63 3hfa h GLY 460 N 2.07 0.98 0.70 2.12 0.00 -1.94 -0.14 103.07 106.85 3hfa h GLY 460 Ca -0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3hfa h GLY 460 CO 0.39 0.31 -0.00 -1.80 0.00 0.00 0.00 176.54 175.44 3hfa h ASP 461 N 0.87 0.04 0.36 0.19 1.82 -1.99 -0.20 116.42 117.51 3hfa h ASP 461 Ca 0.28 -0.32 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 3hfa h ASP 461 Cb 0.03 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 3hfa h ASP 461 CO -0.08 0.35 -0.49 0.77 -1.61 0.00 0.00 179.24 178.18 3hfa h SER 462 N -0.27 0.18 -0.52 2.28 4.64 -1.86 -1.66 113.55 116.33 3hfa h SER 462 Ca 0.01 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3hfa h SER 462 Cb 0.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3hfa h SER 462 CO 0.00 0.64 0.26 1.23 -0.87 0.00 0.00 176.83 178.09 3hfa h GLY 463 N 1.39 0.80 1.02 -0.77 0.00 -0.82 -1.13 103.07 103.56 3hfa h GLY 463 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3hfa h GLY 463 CO 0.07 0.37 0.20 -2.00 0.00 0.00 0.00 176.54 175.19 3hfa h LEU 464 N 0.70 0.94 -0.34 3.11 5.85 -0.66 -1.58 115.31 123.32 3hfa h LEU 464 Ca 0.18 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3hfa h LEU 464 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3hfa h LEU 464 CO -0.02 0.90 0.19 -0.09 -0.34 0.00 0.00 178.44 179.07 3hfa h ARG 465 N 0.94 0.48 -0.77 1.25 2.43 -0.95 -1.05 114.38 116.71 3hfa h ARG 465 Ca 0.21 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 465 Cb 0.29 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3hfa h ARG 465 CO -0.01 0.40 0.27 0.28 -1.51 0.00 0.00 179.97 179.41 3hfa h VAL 466 N 0.43 1.26 -0.29 0.20 2.07 -1.10 -0.03 116.25 118.80 3hfa h VAL 466 Ca 0.12 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3hfa h VAL 466 Cb 0.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3hfa h VAL 466 CO -0.02 0.35 0.19 0.00 0.02 0.00 0.00 177.57 178.11 3hfa h ALA 467 N 1.14 0.37 -0.54 1.67 0.00 -0.95 0.67 119.26 121.62 3hfa h ALA 467 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hfa h ALA 467 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hfa h ALA 467 CO -0.01 -0.15 0.04 0.28 0.00 0.00 0.00 179.25 179.41 3hfa h VAL 468 N 0.39 1.25 -0.21 0.00 2.07 -0.91 -1.76 116.25 117.08 3hfa h VAL 468 Ca 0.11 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 3hfa h VAL 468 Cb -0.02 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3hfa h VAL 468 CO -0.02 0.36 -0.40 -0.08 0.02 0.00 0.00 177.57 177.45 3hfa h GLU 469 N 0.83 0.48 -0.48 1.57 4.81 -0.65 -0.04 114.58 121.11 3hfa h GLU 469 Ca 0.17 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3hfa h GLU 469 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hfa h GLU 469 CO 0.02 0.80 0.18 0.00 -0.73 0.00 0.00 179.01 179.28 3hfa h ALA 470 N 1.17 0.63 -0.95 2.92 0.00 -0.54 0.57 119.26 123.05 3hfa h ALA 470 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hfa h ALA 470 Cb 0.87 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3hfa h ALA 470 CO 0.07 0.25 0.63 -0.07 0.00 0.00 0.00 179.25 180.13 3hfa h LEU 471 N 0.64 1.07 -0.41 0.00 4.07 -1.14 0.02 115.31 119.57 3hfa h LEU 471 Ca 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 471 Cb 0.22 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 3hfa h LEU 471 CO -0.01 0.76 0.23 0.22 -1.08 0.00 0.00 178.44 178.56 3hfa h TYR 472 N 1.26 0.55 -0.60 1.13 3.20 -0.34 -0.49 116.97 121.68 3hfa h TYR 472 Ca 0.36 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 3hfa h TYR 472 Cb -0.10 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3hfa h TYR 472 CO -0.01 0.41 0.12 -0.44 -1.64 0.00 0.00 178.16 176.60 3hfa h ASP 473 N 0.53 0.89 -0.56 -2.11 3.32 -0.54 -0.71 116.42 117.24 3hfa h ASP 473 Ca 0.14 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 473 Cb 0.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3hfa h ASP 473 CO -0.02 0.88 0.31 0.00 -1.72 0.00 0.00 179.24 178.69 3hfa h ALA 474 N 1.23 0.71 -0.16 3.45 0.00 -0.55 -2.51 119.26 121.43 3hfa h ALA 474 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 474 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hfa h ALA 474 CO 0.00 0.22 -0.44 0.00 0.00 0.00 0.00 179.25 179.03 3hfa h ALA 475 N 1.14 0.96 -0.79 0.00 0.00 -0.68 0.91 119.26 120.80 3hfa h ALA 475 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hfa h ALA 475 Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hfa h ALA 475 CO -0.03 0.63 0.50 0.22 0.00 0.00 0.00 179.25 180.57 3hfa h ASP 476 N 0.31 0.93 0.00 0.00 3.58 -0.85 -3.24 116.42 117.14 3hfa h ASP 476 Ca 0.02 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3hfa h ASP 476 Cb 0.90 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.72 3hfa h ASP 476 CO 0.07 0.69 -0.73 0.47 -2.88 0.00 0.00 179.24 176.86 3hfa n ASP 477 N -4.40 0.73 -3.96 2.28 8.00 -0.97 -4.91 116.55 113.31 3hfa n ASP 477 Ca 0.09 -0.82 -0.30 0.00 0.71 0.00 0.00 54.79 54.47 3hfa n ASP 477 Cb 0.05 1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 42.01 3hfa n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hfa s ASP 478 N -2.44 3.50 0.42 -2.24 2.15 0.29 -5.00 116.67 113.35 3hfa s ASP 478 Ca 0.05 -0.97 0.29 0.00 0.43 0.00 0.00 52.55 52.35 3hfa s ASP 478 Cb 0.11 -1.17 1.37 0.00 -0.30 0.00 0.00 42.92 42.93 3hfa s ASP 478 CO 0.61 -0.19 1.88 0.77 -0.17 0.00 0.00 175.17 178.07 3hfa h SER 479 N 7.98 0.00 0.10 -0.34 4.64 -1.85 -1.62 113.55 122.47 3hfa h SER 479 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hfa h SER 479 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hfa h SER 479 CO 0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.35 3hfa n ALA 480 N -1.90 2.69 -2.83 5.18 0.00 -1.26 -4.77 120.51 117.62 3hfa n ALA 480 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3hfa n ALA 480 Cb 0.17 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 3hfa n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hfa s THR 481 N -2.16 3.22 -0.06 0.00 2.01 -0.61 -0.81 115.64 117.24 3hfa s THR 481 Ca 0.37 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 3hfa s THR 481 Cb 0.21 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3hfa s THR 481 CO 0.39 0.55 0.44 -0.83 -0.69 0.00 0.00 174.62 174.48 3hfa s GLY 482 N -0.11 2.43 0.77 4.40 0.00 -1.26 -4.50 107.32 109.05 3hfa s GLY 482 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.44 3hfa s GLY 482 CO 0.03 0.47 1.08 -0.32 0.00 0.00 0.00 173.10 174.37 3hfa s GLY 483 N -0.19 1.75 0.20 0.20 0.00 -1.26 -4.55 107.32 103.47 3hfa s GLY 483 Ca 0.24 -1.32 -0.33 0.00 0.00 0.00 0.00 44.72 43.32 3hfa s GLY 483 CO 0.12 -0.76 1.48 -1.05 0.00 0.00 0.00 173.10 172.89 3hfa n PRO 484 N -3.10 2.05 -3.51 2.90 -0.02 -1.26 -4.91 135.00 127.15 3hfa n PRO 484 Ca 0.13 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 3hfa n PRO 484 Cb 0.60 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 3hfa n PRO 484 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hfa s ASP 485 N 0.56 5.81 0.31 2.55 -1.08 -0.05 -4.93 116.67 119.85 3hfa s ASP 485 Ca 0.73 -1.99 0.15 0.00 -0.52 0.00 0.00 52.55 50.92 3hfa s ASP 485 Cb -0.67 -2.04 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 3hfa s ASP 485 CO 0.44 -0.69 1.63 -0.07 0.52 0.00 0.00 175.17 177.00 3hfa h LEU 486 N 8.40 0.00 -0.09 -1.34 4.07 -1.92 0.26 115.31 124.69 3hfa h LEU 486 Ca -0.20 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 3hfa h LEU 486 Cb 1.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 3hfa h LEU 486 CO 0.87 0.52 -0.03 0.58 -1.08 0.00 0.00 178.44 179.30 3hfa h VAL 487 N 0.00 1.31 0.00 1.22 2.07 -1.97 -3.26 116.25 115.63 3hfa h VAL 487 Ca -0.01 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hfa h VAL 487 Cb 1.07 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3hfa h VAL 487 CO 0.07 0.28 -0.62 0.03 0.02 0.00 0.00 177.57 177.35 3hfa h ARG 488 N -0.18 0.00 -3.51 1.57 3.08 -1.98 -3.48 114.38 109.87 3hfa h ARG 488 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 3hfa h ARG 488 Cb 0.46 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.58 3hfa h ARG 488 CO 0.01 0.00 -0.34 0.41 -1.07 0.00 0.00 179.97 178.98 3hfa n GLY 489 N 1.30 0.15 3.29 0.04 0.00 0.81 -5.05 105.19 105.73 3hfa n GLY 489 Ca 0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3hfa n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfa s ILE 490 N -3.16 2.59 0.24 -0.61 1.01 -0.66 -5.00 121.20 115.61 3hfa s ILE 490 Ca 0.12 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3hfa s ILE 490 Cb -0.05 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 3hfa s ILE 490 CO 0.34 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.43 3hfa s PHE 491 N 0.45 1.67 0.76 3.97 0.08 -1.26 -0.87 117.98 122.78 3hfa s PHE 491 Ca -0.13 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 55.93 3hfa s PHE 491 Cb -0.17 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3hfa s PHE 491 CO 0.06 0.07 0.94 -2.30 -0.10 0.00 0.00 175.22 173.88 3hfa n PRO 492 N -0.46 0.35 -4.02 0.24 -0.02 -1.26 -4.84 135.00 124.99 3hfa n PRO 492 Ca -0.05 0.18 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 3hfa n PRO 492 Cb 0.64 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 3hfa n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hfa s THR 493 N -1.95 4.92 -0.01 3.45 -4.23 -0.75 -4.94 115.64 112.14 3hfa s THR 493 Ca 0.71 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.09 3hfa s THR 493 Cb -0.32 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 69.95 3hfa s THR 493 CO 0.53 -0.20 0.29 0.00 -0.54 0.00 0.00 174.62 174.69 3hfa s ALA 494 N -1.87 -0.72 -0.02 3.99 0.00 -1.26 -1.33 121.76 120.55 3hfa s ALA 494 Ca 0.33 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.60 3hfa s ALA 494 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3hfa s ALA 494 CO 0.27 -0.25 -0.17 0.08 0.00 0.00 0.00 175.76 175.68 3hfa s VAL 495 N -1.34 1.35 -0.07 0.00 1.01 0.51 -0.61 120.40 121.25 3hfa s VAL 495 Ca -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3hfa s VAL 495 Cb -0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3hfa s VAL 495 CO 0.04 0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 174.72 3hfa s ILE 496 N -0.27 2.79 -0.11 2.22 1.01 -0.43 -1.09 121.20 125.33 3hfa s ILE 496 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3hfa s ILE 496 Cb -0.08 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3hfa s ILE 496 CO 0.00 0.57 -0.11 -0.63 0.00 0.00 0.00 174.94 174.77 3hfa s ILE 497 N -0.37 1.24 0.00 2.92 1.01 -0.30 -0.75 121.20 124.94 3hfa s ILE 497 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3hfa s ILE 497 Cb -0.12 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3hfa s ILE 497 CO 0.02 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.46 3hfa n ASP 498 N 4.47 0.48 0.25 3.58 5.68 -1.13 -1.23 116.55 128.63 3hfa n ASP 498 Ca -0.17 -0.07 0.14 0.00 -0.50 0.00 0.00 54.79 54.19 3hfa n ASP 498 Cb 0.51 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.31 3hfa n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hfa h ALA 499 N 1.00 1.76 -0.04 2.12 0.00 -1.95 0.67 119.26 122.82 3hfa h ALA 499 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 499 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 499 CO 0.00 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.89 3hfa n ASP 500 N -4.02 0.94 0.00 0.00 8.00 -1.26 -5.03 116.55 115.18 3hfa n ASP 500 Ca -0.01 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.10 3hfa n ASP 500 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3hfa n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfa n GLY 501 N 1.07 -3.12 3.72 0.44 0.00 0.23 -4.99 105.19 102.53 3hfa n GLY 501 Ca 0.19 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 3hfa n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfa s ALA 502 N -1.01 3.28 0.02 4.61 0.00 0.12 -2.86 121.76 125.92 3hfa s ALA 502 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3hfa s ALA 502 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3hfa s ALA 502 CO 0.00 -0.14 -0.06 0.14 0.00 0.00 0.00 175.76 175.70 3hfa s VAL 503 N 0.83 0.43 0.19 0.00 -7.23 0.07 -4.97 120.40 109.71 3hfa s VAL 503 Ca 0.42 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 3hfa s VAL 503 Cb -0.19 -0.43 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 3hfa s VAL 503 CO 0.22 -0.12 1.33 -1.81 -0.31 0.00 0.00 175.10 174.41 3hfa s ASP 504 N -0.77 6.87 0.05 4.85 1.01 -1.26 -1.31 116.67 126.11 3hfa s ASP 504 Ca -0.04 2.41 -0.30 0.00 0.71 0.00 0.00 52.55 55.33 3hfa s ASP 504 Cb -0.05 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3hfa s ASP 504 CO 0.00 -0.56 0.99 -0.69 0.21 0.00 0.00 175.17 175.12 3hfa s VAL 505 N 0.25 4.66 0.29 -1.27 1.01 0.22 -4.90 120.40 120.66 3hfa s VAL 505 Ca 0.58 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.28 3hfa s VAL 505 Cb -0.37 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.61 3hfa s VAL 505 CO 0.37 0.22 1.52 -2.84 0.00 0.00 0.00 175.10 174.37 3hfa s PRO 506 N 0.61 4.18 0.31 2.72 0.02 -1.26 -4.60 135.00 136.98 3hfa s PRO 506 Ca 0.51 2.47 0.07 0.00 0.02 0.00 0.00 61.00 64.07 3hfa s PRO 506 Cb -0.23 -3.05 0.81 0.00 0.02 0.00 0.00 34.50 32.06 3hfa s PRO 506 CO 0.29 -0.53 1.73 1.49 -0.33 0.00 0.00 177.00 179.65 3hfa h GLU 507 N 4.66 0.58 -0.68 5.54 4.81 -1.94 -1.38 114.58 126.17 3hfa h GLU 507 Ca -0.47 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3hfa h GLU 507 Cb 1.22 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 3hfa h GLU 507 CO 0.77 0.38 0.45 0.66 -0.73 0.00 0.00 179.01 180.53 3hfa h SER 508 N 0.59 0.71 0.11 1.04 4.64 -1.99 0.80 113.55 119.45 3hfa h SER 508 Ca 0.61 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.73 3hfa h SER 508 Cb 1.10 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3hfa h SER 508 CO -0.46 0.50 -0.71 -0.09 -0.87 0.00 0.00 176.83 175.20 3hfa h ARG 509 N 0.83 0.53 -0.33 4.77 2.43 -1.63 -2.07 114.38 118.91 3hfa h ARG 509 Ca 0.27 -0.42 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 3hfa h ARG 509 Cb 0.03 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hfa h ARG 509 CO -0.07 1.04 -0.40 0.82 -1.51 0.00 0.00 179.97 179.85 3hfa h ILE 510 N 0.37 1.28 -0.73 1.20 2.04 -1.22 -1.96 117.51 118.50 3hfa h ILE 510 Ca -0.03 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 3hfa h ILE 510 Cb 1.29 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3hfa h ILE 510 CO 0.13 0.52 0.40 0.00 0.00 0.00 0.00 178.15 179.20 3hfa h ALA 511 N 0.88 0.93 -0.27 1.87 0.00 -0.80 0.83 119.26 122.71 3hfa h ALA 511 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 511 Cb 0.96 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hfa h ALA 511 CO 0.09 0.44 0.12 1.49 0.00 0.00 0.00 179.25 181.39 3hfa h GLU 512 N 1.00 0.40 -0.35 0.00 4.81 -1.23 -1.07 114.58 118.13 3hfa h GLU 512 Ca 0.26 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3hfa h GLU 512 Cb 0.03 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3hfa h GLU 512 CO -0.04 0.40 0.10 -0.07 -0.73 0.00 0.00 179.01 178.67 3hfa h LEU 513 N 0.29 0.08 -0.55 1.64 4.07 -0.95 -1.74 115.31 118.15 3hfa h LEU 513 Ca 0.09 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.13 3hfa h LEU 513 Cb 0.15 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 3hfa h LEU 513 CO -0.01 0.08 0.32 0.00 -1.08 0.00 0.00 178.44 177.75 3hfa h ALA 514 N 1.24 0.71 -0.66 1.53 0.00 -0.58 -0.64 119.26 120.86 3hfa h ALA 514 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 514 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 514 CO -0.19 0.01 0.30 0.00 0.00 0.00 0.00 179.25 179.37 3hfa h ARG 515 N 0.62 0.96 -0.46 0.00 3.08 -0.89 -0.25 114.38 117.45 3hfa h ARG 515 Ca 0.23 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hfa h ARG 515 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3hfa h ARG 515 CO -0.12 0.78 0.23 0.00 -1.07 0.00 0.00 179.97 179.79 3hfa h ALA 516 N 1.13 0.59 -0.17 0.04 0.00 -0.81 0.13 119.26 120.17 3hfa h ALA 516 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 516 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hfa h ALA 516 CO -0.02 0.14 0.05 0.82 0.00 0.00 0.00 179.25 180.23 3hfa h ILE 517 N 0.59 0.94 -0.01 0.00 2.04 -0.80 0.65 117.51 120.92 3hfa h ILE 517 Ca 0.16 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3hfa h ILE 517 Cb 0.10 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3hfa h ILE 517 CO -0.02 0.02 -0.03 0.40 0.00 0.00 0.00 178.15 178.52 3hfa h ILE 518 N 0.12 0.93 -0.72 -0.67 2.04 -0.77 -2.12 117.51 116.30 3hfa h ILE 518 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3hfa h ILE 518 Cb 0.06 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3hfa h ILE 518 CO -0.09 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 178.17 3hfa h GLU 519 N -0.04 0.80 -0.53 2.37 5.08 -0.59 -2.04 114.58 119.64 3hfa h GLU 519 Ca 0.02 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3hfa h GLU 519 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3hfa h GLU 519 CO -0.04 0.53 0.35 1.03 -1.00 0.00 0.00 179.01 179.88 3hfa h SER 520 N 0.83 0.45 0.27 1.42 0.87 -0.48 -2.39 113.55 114.52 3hfa h SER 520 Ca 0.31 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3hfa h SER 520 Cb 0.11 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3hfa h SER 520 CO -0.15 0.30 -0.59 0.54 -0.53 0.00 0.00 176.83 176.41 3hfa n ARG 521 N -4.47 0.28 0.00 2.24 1.74 -0.83 -5.10 116.66 110.52 3hfa n ARG 521 Ca 0.07 -0.19 0.15 0.00 -0.77 0.00 0.00 57.85 57.11 3hfa n ARG 521 Cb 0.21 -1.50 0.83 0.00 -1.02 0.00 0.00 32.46 30.98 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54