#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 0.31 -0.08 12.58 2.01 -1.26 -0.64 115.64 128.57 3hfa s THR 302 Ca 0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3hfa s THR 302 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3hfa s THR 302 CO 0.00 0.13 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.30 3hfa s ILE 303 N 0.41 1.24 0.17 1.82 1.01 -0.33 -2.38 121.20 123.14 3hfa s ILE 303 Ca -0.04 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.19 3hfa s ILE 303 Cb -0.08 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3hfa s ILE 303 CO -0.01 0.38 -0.22 0.68 0.00 0.00 0.00 174.94 175.77 3hfa s VAL 304 N 0.74 2.49 -0.06 2.92 -7.23 0.22 -1.04 120.40 118.45 3hfa s VAL 304 Ca -0.13 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 3hfa s VAL 304 Cb -0.16 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.62 3hfa s VAL 304 CO 0.03 -0.05 0.17 0.00 -0.31 0.00 0.00 175.10 174.94 3hfa s ALA 305 N -1.49 -0.41 -0.01 1.32 0.00 -0.47 -1.18 121.76 119.52 3hfa s ALA 305 Ca 0.20 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 3hfa s ALA 305 Cb -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3hfa s ALA 305 CO 0.10 -0.10 0.26 -0.48 0.00 0.00 0.00 175.76 175.54 3hfa s LEU 306 N -0.09 1.04 0.05 0.00 0.05 -0.35 -0.96 118.68 118.41 3hfa s LEU 306 Ca -0.02 0.02 -0.21 0.00 0.05 0.00 0.00 54.13 53.98 3hfa s LEU 306 Cb -0.02 1.11 -0.06 0.00 -2.05 0.00 0.00 46.19 45.16 3hfa s LEU 306 CO 0.00 -0.42 0.61 -0.54 -0.55 0.00 0.00 176.35 175.45 3hfa s LYS 307 N -1.31 4.29 0.28 1.48 1.02 0.58 -0.97 119.74 125.12 3hfa s LYS 307 Ca -0.14 0.79 0.05 0.00 0.02 0.00 0.00 55.97 56.69 3hfa s LYS 307 Cb -0.06 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 3hfa s LYS 307 CO 0.03 0.51 0.00 1.52 -0.92 0.00 0.00 175.35 176.50 3hfa s TYR 308 N -0.71 1.82 -0.21 3.18 -0.85 -0.58 -4.94 117.35 115.06 3hfa s TYR 308 Ca 0.31 -0.87 -0.28 0.00 -0.52 0.00 0.00 57.07 55.71 3hfa s TYR 308 Cb -0.19 -1.10 -0.05 0.00 0.38 0.00 0.00 41.96 40.99 3hfa s TYR 308 CO 0.19 0.08 2.20 -2.14 -1.52 0.00 0.00 175.55 174.36 3hfa s PRO 309 N -3.83 3.17 0.00 -3.49 0.02 -1.26 -1.52 135.00 128.09 3hfa s PRO 309 Ca 0.32 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3hfa s PRO 309 Cb 0.06 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3hfa s PRO 309 CO 0.12 -2.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.14 3hfa n GLY 310 N 5.71 0.24 0.00 0.52 0.00 0.17 -4.73 105.19 107.11 3hfa n GLY 310 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.80 1.47 3.11 -0.02 0.00 -0.57 -4.15 105.19 103.22 3hfa n GLY 311 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.35 0.09 0.01 1.61 0.11 -0.32 -1.53 120.40 118.01 3hfa s VAL 312 Ca 0.00 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.40 3hfa s VAL 312 Cb 0.00 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 3hfa s VAL 312 CO 0.00 -0.39 -0.17 0.54 -3.33 0.00 0.00 175.10 171.75 3hfa s VAL 313 N -1.43 1.37 -0.03 2.04 0.11 -0.14 -1.12 120.40 121.19 3hfa s VAL 313 Ca -0.15 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 3hfa s VAL 313 Cb -0.07 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3hfa s VAL 313 CO 0.01 0.26 -0.10 -0.32 -3.33 0.00 0.00 175.10 171.62 3hfa s MET 314 N -0.75 1.09 0.02 1.54 1.75 -0.20 -1.21 119.30 121.54 3hfa s MET 314 Ca 0.06 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 3hfa s MET 314 Cb -0.07 -1.00 -0.02 0.00 2.84 0.00 0.00 34.83 36.58 3hfa s MET 314 CO 0.00 0.13 -0.04 0.00 -0.65 0.00 0.00 175.02 174.47 3hfa s ALA 315 N 0.18 0.22 0.04 4.11 0.00 -0.32 -0.21 121.76 125.77 3hfa s ALA 315 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 3hfa s ALA 315 Cb -0.09 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3hfa s ALA 315 CO 0.01 -0.08 -0.03 0.20 0.00 0.00 0.00 175.76 175.86 3hfa s GLY 316 N -1.10 0.36 0.68 0.00 0.00 -0.36 -0.61 107.32 106.29 3hfa s GLY 316 Ca -0.10 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.65 3hfa s GLY 316 CO -0.00 -0.94 0.89 2.09 0.00 0.00 0.00 173.10 175.13 3hfa n ASP 317 N 0.98 -0.09 0.00 1.64 5.75 -1.00 -1.66 116.55 122.17 3hfa n ASP 317 Ca -0.20 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3hfa n ASP 317 Cb 0.57 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.98 0.67 -3.46 0.11 5.12 -1.26 -4.50 116.66 110.36 3hfa n ARG 318 Ca 0.11 -0.86 -0.35 0.00 -1.93 0.00 0.00 57.85 54.82 3hfa n ARG 318 Cb 0.39 -0.95 -0.06 0.00 -1.16 0.00 0.00 32.46 30.69 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 -0.39 3.88 0.04 5.56 3.52 -1.26 -1.40 118.95 128.89 3hfa s ARG 319 Ca 0.00 0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 3hfa s ARG 319 Cb 0.00 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3hfa s ARG 319 CO 0.00 0.52 -0.14 -1.54 -0.81 0.00 0.00 175.30 173.33 3hfa s SER 320 N -1.71 1.65 0.08 -2.12 1.04 -0.60 -4.68 113.70 107.35 3hfa s SER 320 Ca 0.35 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.39 3hfa s SER 320 Cb -0.15 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 3hfa s SER 320 CO 0.18 0.03 -0.16 0.42 0.98 0.00 0.00 173.24 174.70 3hfa s THR 321 N -0.84 1.24 -0.48 2.02 -4.23 -1.26 -0.34 115.64 111.75 3hfa s THR 321 Ca 0.01 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3hfa s THR 321 Cb -0.08 -1.18 0.13 0.00 1.34 0.00 0.00 72.50 72.71 3hfa s THR 321 CO 0.01 -0.19 0.22 -1.58 -0.54 0.00 0.00 174.62 172.54 3hfa s GLN 322 N -1.79 1.92 7.78 3.99 0.74 0.35 -4.84 119.66 127.82 3hfa s GLN 322 Ca -0.00 -2.38 0.00 0.00 0.05 0.00 0.00 55.36 53.02 3hfa s GLN 322 Cb -0.10 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3hfa s GLN 322 CO 0.03 -1.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.10 3hfa n GLY 323 N 3.52 2.92 0.13 2.59 0.00 -1.26 -2.35 105.19 110.74 3hfa n GLY 323 Ca 0.05 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.47 1.61 2.35 -2.02 -3.47 115.58 110.58 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 0.05 0.49 -0.04 -1.65 0.00 0.00 177.43 176.28 3hfa s MET 325 N -3.31 4.55 -0.23 0.81 -1.94 -0.99 -4.99 119.30 113.21 3hfa s MET 325 Ca 0.00 1.71 -0.29 0.00 -1.71 0.00 0.00 55.69 55.40 3hfa s MET 325 Cb 0.09 -3.31 -0.00 0.00 2.01 0.00 0.00 34.83 33.62 3hfa s MET 325 CO 0.78 -0.01 1.24 0.42 -0.01 0.00 0.00 175.02 177.43 3hfa s ILE 326 N 0.15 4.30 -0.76 2.53 1.01 -1.26 -0.49 121.20 126.67 3hfa s ILE 326 Ca 0.52 1.54 0.13 0.00 0.00 0.00 0.00 60.65 62.83 3hfa s ILE 326 Cb -0.29 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 3hfa s ILE 326 CO 0.33 -0.27 0.60 -1.54 0.00 0.00 0.00 174.94 174.06 3hfa n SER 327 N 6.92 0.81 -3.58 3.58 3.41 0.54 -4.90 113.62 120.39 3hfa n SER 327 Ca 0.14 -0.91 -0.14 0.00 -0.26 0.00 0.00 58.87 57.70 3hfa n SER 327 Cb 0.46 0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 65.22 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 -2.09 -0.45 0.00 5.00 0.00 -0.98 -4.90 107.32 103.90 3hfa s GLY 328 Ca 0.06 1.85 0.00 0.00 0.00 0.00 0.00 44.72 46.63 3hfa s GLY 328 CO 0.49 1.33 0.29 0.54 0.00 0.00 0.00 173.10 175.74 3hfa n ARG 329 N 1.57 0.78 -0.39 2.90 1.74 -1.25 -1.56 116.66 120.45 3hfa n ARG 329 Ca -0.15 -0.29 0.02 0.00 -0.77 0.00 0.00 57.85 56.67 3hfa n ARG 329 Cb 0.56 -0.76 0.03 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.19 0.59 -4.75 0.55 5.68 -0.97 -4.65 116.55 112.80 3hfa n ASP 330 Ca 0.00 -2.27 -0.41 0.00 -0.50 0.00 0.00 54.79 51.60 3hfa n ASP 330 Cb 0.04 -0.26 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 3hfa n ASP 330 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hfa s VAL 331 N -0.72 2.14 -0.25 2.12 1.01 -0.49 -4.98 120.40 119.23 3hfa s VAL 331 Ca 0.08 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 3hfa s VAL 331 Cb 0.07 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3hfa s VAL 331 CO 0.01 0.02 0.10 -0.13 0.00 0.00 0.00 175.10 175.10 3hfa s ARG 332 N -0.69 3.77 0.00 2.72 0.52 -1.26 -4.24 118.95 119.77 3hfa s ARG 332 Ca 0.61 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.46 3hfa s ARG 332 Cb -0.47 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.62 3hfa s ARG 332 CO 0.49 -0.12 0.53 1.63 0.02 0.00 0.00 175.30 177.85 3hfa n LYS 333 N 4.76 1.72 -4.04 3.54 5.02 -1.26 -4.94 118.16 122.96 3hfa n LYS 333 Ca -0.16 -0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 55.23 3hfa n LYS 333 Cb 0.52 -0.99 -0.15 0.00 -0.02 0.00 0.00 35.03 34.38 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 -0.86 2.50 -0.05 -0.18 1.01 -1.26 -2.53 120.40 119.02 3hfa s VAL 334 Ca 0.05 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3hfa s VAL 334 Cb 0.05 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3hfa s VAL 334 CO 0.13 0.36 -0.24 -0.31 0.00 0.00 0.00 175.10 175.04 3hfa s TYR 335 N 1.31 2.46 -0.12 5.22 2.02 0.13 -4.96 117.35 123.40 3hfa s TYR 335 Ca 0.02 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 55.81 3hfa s TYR 335 Cb -0.15 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 3hfa s TYR 335 CO -0.08 -0.15 1.26 0.42 -1.57 0.00 0.00 175.55 175.42 3hfa s ILE 336 N -0.27 4.23 -0.05 2.71 1.01 -1.26 -0.46 121.20 127.11 3hfa s ILE 336 Ca -0.00 1.52 0.16 0.00 0.00 0.00 0.00 60.65 62.33 3hfa s ILE 336 Cb -0.13 -3.98 -0.25 0.00 0.01 0.00 0.00 42.46 38.12 3hfa s ILE 336 CO 0.03 -0.08 0.30 0.35 0.00 0.00 0.00 174.94 175.54 3hfa n THR 337 N 5.09 0.23 -3.09 2.92 -2.24 -0.46 -4.94 114.28 111.78 3hfa n THR 337 Ca 0.13 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3hfa n THR 337 Cb 0.45 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.19 -0.24 0.27 3.42 5.75 -1.17 -4.46 116.55 117.93 3hfa n ASP 338 Ca -0.08 -1.16 0.16 0.00 -0.01 0.00 0.00 54.79 53.70 3hfa n ASP 338 Cb 0.56 0.39 0.90 0.00 -1.03 0.00 0.00 41.12 41.94 3hfa n ASP 338 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hfa h ASP 339 N 0.20 0.00 0.00 -1.12 3.32 -1.95 -3.03 116.42 113.84 3hfa h ASP 339 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hfa h ASP 339 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hfa h ASP 339 CO 0.04 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.15 3hfa n TYR 340 N -3.79 0.00 -3.96 4.55 4.01 -1.26 0.17 117.16 116.88 3hfa n TYR 340 Ca -0.02 -0.43 -0.09 0.00 -0.16 0.00 0.00 57.90 57.20 3hfa n TYR 340 Cb 0.16 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.18 0.12 0.03 -0.72 -4.23 -1.15 -1.19 115.64 107.32 3hfa s THR 341 Ca 0.12 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3hfa s THR 341 Cb 0.10 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.39 3hfa s THR 341 CO 0.01 -0.54 -0.05 0.00 -0.54 0.00 0.00 174.62 173.50 3hfa s ALA 342 N -1.88 0.33 -0.07 3.99 0.00 0.30 -1.35 121.76 123.08 3hfa s ALA 342 Ca -0.12 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hfa s ALA 342 Cb -0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3hfa s ALA 342 CO -0.02 -0.08 -0.17 0.99 0.00 0.00 0.00 175.76 176.48 3hfa s THR 343 N -1.34 1.47 -0.08 0.00 2.01 0.40 -1.36 115.64 116.74 3hfa s THR 343 Ca -0.12 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.23 3hfa s THR 343 Cb -0.09 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 3hfa s THR 343 CO -0.00 0.43 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.35 3hfa s GLY 344 N 0.48 1.45 -0.07 4.40 0.00 -0.40 -0.70 107.32 112.48 3hfa s GLY 344 Ca -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3hfa s GLY 344 CO 0.05 -0.51 -0.10 -0.42 0.00 0.00 0.00 173.10 172.12 3hfa s ILE 345 N -0.14 0.99 -0.01 0.90 1.01 -1.05 0.58 121.20 123.47 3hfa s ILE 345 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3hfa s ILE 345 Cb -0.14 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3hfa s ILE 345 CO 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 174.94 175.27 3hfa s ALA 346 N 0.96 3.12 0.00 9.38 0.00 -0.67 -4.95 121.76 129.60 3hfa s ALA 346 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3hfa s ALA 346 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3hfa s ALA 346 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.79 3hfa n GLY 347 N 1.62 0.52 3.70 0.00 0.00 -1.26 -0.84 105.19 108.93 3hfa n GLY 347 Ca -0.16 -2.22 -0.57 0.00 0.00 0.00 0.00 46.02 43.07 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 0.54 0.32 -0.05 2.61 -1.04 -0.01 -4.82 114.28 111.83 3hfa n THR 348 Ca 0.00 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 3hfa n THR 348 Cb 0.00 -1.28 -0.01 0.00 -1.82 0.00 0.00 70.33 67.22 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 7.54 0.01 -0.85 2.41 0.00 -1.96 -0.30 119.26 126.10 3hfa h ALA 349 Ca -0.46 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.62 3hfa h ALA 349 Cb 1.32 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 3hfa h ALA 349 CO 0.97 -0.58 0.51 0.00 0.00 0.00 0.00 179.25 180.15 3hfa h ALA 350 N 1.00 1.19 -0.30 0.00 0.00 -2.00 -1.58 119.26 117.55 3hfa h ALA 350 Ca 0.13 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 350 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hfa h ALA 350 CO -0.32 0.19 -0.50 0.28 0.00 0.00 0.00 179.25 178.90 3hfa h VAL 351 N 0.89 1.28 -0.18 0.00 2.07 -1.74 -2.82 116.25 115.75 3hfa h VAL 351 Ca 0.39 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3hfa h VAL 351 Cb 0.27 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hfa h VAL 351 CO -0.21 0.55 0.07 0.00 0.02 0.00 0.00 177.57 178.00 3hfa h ALA 352 N 0.69 0.20 -0.42 1.67 0.00 -0.52 -0.97 119.26 119.91 3hfa h ALA 352 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 352 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3hfa h ALA 352 CO 0.11 -0.36 0.18 0.28 0.00 0.00 0.00 179.25 179.46 3hfa h VAL 353 N 0.16 1.19 -0.24 0.00 2.07 -1.35 -2.30 116.25 115.78 3hfa h VAL 353 Ca 0.07 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3hfa h VAL 353 Cb 0.03 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3hfa h VAL 353 CO -0.06 0.22 -0.12 -0.33 0.02 0.00 0.00 177.57 177.30 3hfa h GLU 354 N 0.54 -0.08 0.15 1.57 5.08 -1.30 -0.93 114.58 119.61 3hfa h GLU 354 Ca 0.14 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3hfa h GLU 354 Cb 0.17 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3hfa h GLU 354 CO -0.01 -0.05 -0.48 0.74 -1.00 0.00 0.00 179.01 178.20 3hfa h PHE 355 N -0.08 -1.36 -0.51 4.33 0.04 -0.95 0.96 116.94 119.36 3hfa h PHE 355 Ca 0.13 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.96 3hfa h PHE 355 Cb 0.28 0.58 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 3hfa h PHE 355 CO -0.29 -0.57 0.30 0.00 -0.60 0.00 0.00 178.31 177.14 3hfa h ALA 356 N -0.39 0.65 0.09 2.45 0.00 -1.22 0.13 119.26 120.97 3hfa h ALA 356 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 356 Cb 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hfa h ALA 356 CO -0.25 -0.01 -0.04 -0.09 0.00 0.00 0.00 179.25 178.86 3hfa h ARG 357 N 0.59 -0.12 -0.44 0.00 2.43 -1.00 -2.34 114.38 113.50 3hfa h ARG 357 Ca 0.21 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 357 Cb 0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hfa h ARG 357 CO -0.10 0.22 -0.12 1.25 -1.51 0.00 0.00 179.97 179.72 3hfa h LEU 358 N -0.48 0.80 -0.28 3.80 5.85 -0.63 -2.25 115.31 122.12 3hfa h LEU 358 Ca -0.01 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3hfa h LEU 358 Cb 0.40 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3hfa h LEU 358 CO 0.02 0.94 0.09 0.22 -0.34 0.00 0.00 178.44 179.36 3hfa h TYR 359 N 0.73 0.44 -0.78 1.25 3.20 -0.74 0.11 116.97 121.18 3hfa h TYR 359 Ca 0.12 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hfa h TYR 359 Cb 0.61 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3hfa h TYR 359 CO 0.03 0.48 0.36 0.00 -1.64 0.00 0.00 178.16 177.39 3hfa h ALA 360 N 0.92 1.17 -0.45 1.82 0.00 -1.29 -0.45 119.26 120.98 3hfa h ALA 360 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 360 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 360 CO -0.00 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.38 3hfa h VAL 361 N 1.11 1.18 -0.78 0.00 2.07 -1.07 -2.59 116.25 116.18 3hfa h VAL 361 Ca 0.27 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3hfa h VAL 361 Cb 0.13 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hfa h VAL 361 CO -0.03 0.19 0.31 -0.08 0.02 0.00 0.00 177.57 177.98 3hfa h GLU 362 N 0.58 1.16 -0.36 1.57 4.81 -0.03 0.11 114.58 122.43 3hfa h GLU 362 Ca 0.16 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3hfa h GLU 362 Cb 0.10 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3hfa h GLU 362 CO -0.02 0.94 0.17 -0.07 -0.73 0.00 0.00 179.01 179.30 3hfa h LEU 363 N 1.13 0.48 -0.59 1.64 4.07 -1.00 -2.00 115.31 119.04 3hfa h LEU 363 Ca 0.26 -0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 3hfa h LEU 363 Cb 0.21 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3hfa h LEU 363 CO -0.02 0.48 -0.67 -0.08 -1.08 0.00 0.00 178.44 177.07 3hfa h GLU 364 N 0.44 0.00 -0.26 1.13 4.81 -1.26 -2.73 114.58 116.71 3hfa h GLU 364 Ca 0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hfa h GLU 364 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3hfa h GLU 364 CO -0.01 0.67 0.16 1.25 -0.73 0.00 0.00 179.01 180.34 3hfa h HIS 365 N 0.00 0.34 -0.47 0.92 2.76 -0.55 -0.48 115.15 117.67 3hfa h HIS 365 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.23 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 3hfa h HIS 365 CO 0.00 0.25 0.27 -0.92 -1.30 0.00 0.00 177.93 176.23 3hfa h TYR 366 N 0.33 0.64 -0.51 5.26 3.20 -1.29 -1.46 116.97 123.16 3hfa h TYR 366 Ca 0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hfa h TYR 366 Cb 0.00 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3hfa h TYR 366 CO -0.05 0.47 0.30 1.49 -1.64 0.00 0.00 178.16 178.74 3hfa h GLU 367 N 0.63 0.69 -0.39 1.82 4.81 -1.15 0.56 114.58 121.54 3hfa h GLU 367 Ca 0.17 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3hfa h GLU 367 Cb 0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hfa h GLU 367 CO -0.03 0.51 -0.23 0.87 -0.73 0.00 0.00 179.01 179.40 3hfa h LYS 368 N 0.68 0.78 -0.25 1.92 1.57 -0.94 0.28 116.57 120.60 3hfa h LYS 368 Ca 0.18 -0.32 -0.16 0.00 -1.87 0.00 0.00 60.65 58.48 3hfa h LYS 368 Cb -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hfa h LYS 368 CO -0.03 0.93 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.24 3hfa h LEU 369 N 0.68 0.85 -0.54 2.94 3.38 -0.90 -3.35 115.31 118.37 3hfa h LEU 369 Ca 0.09 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hfa h LEU 369 Cb 0.74 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hfa h LEU 369 CO 0.06 1.22 -0.50 -0.62 0.09 0.00 0.00 178.44 178.69 3hfa n GLU 370 N -4.12 1.70 -0.03 1.13 -0.58 0.15 -4.98 120.64 113.91 3hfa n GLU 370 Ca -0.05 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.19 3hfa n GLU 370 Cb 0.58 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 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 1.25 2.49 3.01 0.62 0.00 0.99 -4.98 105.19 108.57 3hfa n GLY 371 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.87 0.27 0.64 1.61 0.11 -1.20 -4.97 120.40 113.98 3hfa s VAL 372 Ca 0.00 -0.99 -0.15 0.00 -2.93 0.00 0.00 61.98 57.91 3hfa s VAL 372 Cb 0.00 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3hfa s VAL 372 CO 0.00 -0.47 1.09 -2.84 -3.33 0.00 0.00 175.10 169.55 3hfa s PRO 373 N -1.56 2.94 0.50 1.54 0.02 -1.26 -4.00 135.00 133.18 3hfa s PRO 373 Ca -0.13 1.31 -0.22 0.00 0.02 0.00 0.00 61.00 61.98 3hfa s PRO 373 Cb -0.10 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 3hfa s PRO 373 CO -0.01 -1.13 1.12 1.28 -0.33 0.00 0.00 177.00 177.93 3hfa n LEU 374 N -2.36 3.81 -4.64 -5.54 4.32 -1.26 -5.00 117.00 106.32 3hfa n LEU 374 Ca 0.10 0.97 -0.30 0.00 -0.02 0.00 0.00 56.01 56.75 3hfa n LEU 374 Cb 0.52 -1.44 0.17 0.00 -1.62 0.00 0.00 43.42 41.06 3hfa n LEU 374 CO 0.48 -1.26 0.64 0.42 -1.22 0.00 0.00 177.39 176.45 3hfa s THR 375 N -1.34 2.31 0.20 -5.08 -4.23 -1.26 -4.78 115.64 101.46 3hfa s THR 375 Ca 0.68 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 61.19 3hfa s THR 375 Cb -0.47 -2.27 0.14 0.00 1.34 0.00 0.00 72.50 71.24 3hfa s THR 375 CO 0.53 -0.13 1.83 0.15 -0.54 0.00 0.00 174.62 176.45 3hfa h PHE 376 N -1.93 0.98 -0.70 3.99 3.57 -1.98 -1.08 116.94 119.80 3hfa h PHE 376 Ca -0.49 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.12 3hfa h PHE 376 Cb 1.28 -0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 3hfa h PHE 376 CO 0.44 0.68 0.27 0.00 -2.23 0.00 0.00 178.31 177.47 3hfa h ALA 377 N 1.22 0.95 -0.85 2.41 0.00 -2.00 -0.51 119.26 120.49 3hfa h ALA 377 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 377 Cb 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 377 CO -0.04 -0.20 0.53 0.78 0.00 0.00 0.00 179.25 180.32 3hfa h GLY 378 N 0.43 1.21 1.01 0.00 0.00 -1.66 -1.15 103.07 102.91 3hfa h GLY 378 Ca 0.37 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3hfa h GLY 378 CO -0.37 0.47 0.46 0.50 0.00 0.00 0.00 176.54 177.60 3hfa h LYS 379 N 1.16 1.07 -0.18 4.80 1.57 -0.22 -1.55 116.57 123.21 3hfa h LYS 379 Ca 0.31 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hfa h LYS 379 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 3hfa h LYS 379 CO -0.06 0.77 0.11 0.82 -0.57 0.00 0.00 179.45 180.52 3hfa h ILE 380 N 1.07 1.03 -0.61 1.86 2.04 -0.74 -2.49 117.51 119.67 3hfa h ILE 380 Ca 0.28 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 3hfa h ILE 380 Cb -0.02 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3hfa h ILE 380 CO -0.05 0.04 0.30 -1.13 0.00 0.00 0.00 178.15 177.32 3hfa h ASN 381 N 0.23 0.79 -0.57 1.72 -1.24 -0.78 -0.40 115.58 115.34 3hfa h ASN 381 Ca 0.07 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 3hfa h ASN 381 Cb -0.02 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 3hfa h ASN 381 CO -0.03 0.69 0.24 0.03 -1.29 0.00 0.00 177.43 177.07 3hfa h ARG 382 N 0.84 0.84 -0.48 6.67 2.47 -1.24 0.08 114.38 123.55 3hfa h ARG 382 Ca 0.21 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 3hfa h ARG 382 Cb 0.10 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3hfa h ARG 382 CO -0.03 0.72 0.26 1.25 0.56 0.00 0.00 179.97 182.72 3hfa h LEU 383 N 0.78 0.61 -0.60 3.04 5.85 -1.02 -1.43 115.31 122.55 3hfa h LEU 383 Ca 0.19 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hfa h LEU 383 Cb 0.18 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hfa h LEU 383 CO -0.02 0.54 0.36 0.00 -0.34 0.00 0.00 178.44 178.98 3hfa h ALA 384 N 1.10 0.76 -0.60 1.25 0.00 -0.70 -0.56 119.26 120.51 3hfa h ALA 384 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 384 Cb 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hfa h ALA 384 CO -0.03 0.24 0.19 0.82 0.00 0.00 0.00 179.25 180.48 3hfa h ILE 385 N 0.81 1.24 -0.69 0.00 2.04 -0.80 -0.40 117.51 119.71 3hfa h ILE 385 Ca 0.21 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.29 3hfa h ILE 385 Cb -0.02 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3hfa h ILE 385 CO -0.04 0.31 0.44 -0.03 0.00 0.00 0.00 178.15 178.83 3hfa h MET 386 N 0.84 0.86 -0.54 2.37 4.05 -0.77 -0.95 114.93 120.80 3hfa h MET 386 Ca 0.19 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 3hfa h MET 386 Cb 0.27 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3hfa h MET 386 CO -0.01 0.57 0.18 0.28 0.23 0.00 0.00 176.91 178.17 3hfa h VAL 387 N 0.89 1.23 -0.71 -5.77 2.07 -0.67 -2.75 116.25 110.53 3hfa h VAL 387 Ca 0.26 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hfa h VAL 387 Cb -0.04 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3hfa h VAL 387 CO -0.08 0.28 0.34 -0.09 0.02 0.00 0.00 177.57 178.04 3hfa h ARG 388 N 0.74 1.01 -0.15 1.57 2.43 -0.75 -0.77 114.38 118.46 3hfa h ARG 388 Ca 0.18 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3hfa h ARG 388 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hfa h ARG 388 CO -0.01 0.78 0.28 0.78 -1.51 0.00 0.00 179.97 180.30 3hfa h GLY 389 N 1.07 0.00 -1.51 2.80 0.00 -0.87 -0.52 103.07 104.04 3hfa h GLY 389 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hfa h GLY 389 CO -0.03 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.50 3hfa n ASN 390 N -3.39 2.56 -0.09 0.19 5.15 -0.30 -4.55 115.26 114.83 3hfa n ASN 390 Ca 0.01 -1.84 -0.06 0.00 -0.60 0.00 0.00 54.58 52.09 3hfa n ASN 390 Cb 0.39 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 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 3.79 -0.38 -0.15 1.20 5.85 -1.07 0.19 115.31 124.74 3hfa h LEU 391 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3hfa h LEU 391 Cb 0.81 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3hfa h LEU 391 CO 0.00 -0.14 -0.24 0.00 -0.34 0.00 0.00 178.44 177.72 3hfa h ALA 392 N 1.28 -0.20 -0.96 1.25 0.00 -1.81 0.34 119.26 119.17 3hfa h ALA 392 Ca 0.17 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hfa h ALA 392 Cb 0.28 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hfa h ALA 392 CO -0.36 -0.69 0.63 0.00 0.00 0.00 0.00 179.25 178.82 3hfa h ALA 393 N 0.68 1.38 -0.63 0.00 0.00 -1.73 -2.40 119.26 116.55 3hfa h ALA 393 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 393 Cb 0.45 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 393 CO -0.32 0.54 0.26 0.00 0.00 0.00 0.00 179.25 179.73 3hfa h ALA 394 N 1.44 1.27 0.00 0.00 0.00 0.71 -0.02 119.26 122.64 3hfa h ALA 394 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hfa h ALA 394 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hfa h ALA 394 CO -0.11 0.54 0.00 0.52 0.00 0.00 0.00 179.25 180.20 3hfa h MET 395 N 0.91 0.00 -0.35 0.00 2.86 -0.48 -0.69 114.93 117.17 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 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 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 -2.50 2.15 0.00 1.72 1.13 -0.15 -4.93 117.38 114.80 3hfa n GLN 396 Ca 0.01 -1.75 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 3hfa n GLN 396 Cb 0.23 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 1.32 0.43 2.57 1.08 0.00 -0.27 -5.00 105.19 105.33 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 7.73 -4.73 0.99 4.77 -0.46 -4.88 117.00 120.42 3hfa n LEU 398 Ca 0.00 -4.93 -0.36 0.00 -0.03 0.00 0.00 56.01 50.70 3hfa n LEU 398 Cb 0.00 -1.35 -0.08 0.00 -2.33 0.00 0.00 43.42 39.66 3hfa n LEU 398 CO 0.00 1.95 -0.11 -0.22 -1.33 0.00 0.00 177.39 177.68 3hfa s LEU 399 N -2.13 4.23 -0.04 2.23 2.96 -1.26 -3.74 118.68 120.93 3hfa s LEU 399 Ca 0.50 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 3hfa s LEU 399 Cb 0.17 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3hfa s LEU 399 CO -0.08 0.15 0.09 0.00 -1.32 0.00 0.00 176.35 175.19 3hfa s ALA 400 N 0.38 -0.20 -0.12 5.97 0.00 -1.26 -0.83 121.76 125.70 3hfa s ALA 400 Ca 0.12 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3hfa s ALA 400 Cb -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3hfa s ALA 400 CO 0.00 -0.06 -0.18 -0.51 0.00 0.00 0.00 175.76 175.01 3hfa s LEU 401 N 0.24 1.91 0.34 0.00 1.43 -0.02 -4.94 118.68 117.64 3hfa s LEU 401 Ca -0.02 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 3hfa s LEU 401 Cb -0.03 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.85 3hfa s LEU 401 CO -0.01 0.05 0.73 -2.16 0.23 0.00 0.00 176.35 175.19 3hfa s PRO 402 N 0.90 3.92 -0.10 1.29 0.05 -1.26 -1.67 135.00 138.13 3hfa s PRO 402 Ca -0.07 0.59 0.03 0.00 0.05 0.00 0.00 61.00 61.60 3hfa s PRO 402 Cb -0.15 -2.43 -0.00 0.00 0.05 0.00 0.00 34.50 31.96 3hfa s PRO 402 CO -0.02 0.11 -0.22 -1.17 0.05 0.00 0.00 177.00 175.76 3hfa s LEU 403 N -3.23 2.23 -0.16 -3.56 2.96 0.19 -3.56 118.68 113.56 3hfa s LEU 403 Ca 0.53 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3hfa s LEU 403 Cb -0.10 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3hfa s LEU 403 CO 0.22 0.17 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.14 3hfa s LEU 404 N 0.28 3.05 -0.02 -0.68 2.96 0.08 -1.28 118.68 123.08 3hfa s LEU 404 Ca -0.15 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3hfa s LEU 404 Cb -0.17 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3hfa s LEU 404 CO 0.08 0.13 -0.24 0.00 -1.32 0.00 0.00 176.35 174.99 3hfa s ALA 405 N 0.59 2.02 0.23 5.97 0.00 -0.46 -0.21 121.76 129.90 3hfa s ALA 405 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3hfa s ALA 405 Cb -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3hfa s ALA 405 CO 0.03 0.49 0.55 0.20 0.00 0.00 0.00 175.76 177.02 3hfa s GLY 406 N -0.54 0.14 -0.19 0.00 0.00 0.20 -0.54 107.32 106.39 3hfa s GLY 406 Ca 0.08 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3hfa s GLY 406 CO -0.01 -0.36 -0.17 -0.47 0.00 0.00 0.00 173.10 172.09 3hfa s TYR 407 N -3.94 2.74 -0.60 1.90 5.04 -0.33 0.46 117.35 122.62 3hfa s TYR 407 Ca 0.14 -1.68 -0.24 0.00 -2.44 0.00 0.00 57.07 52.85 3hfa s TYR 407 Cb -0.02 -1.86 0.05 0.00 0.35 0.00 0.00 41.96 40.48 3hfa s TYR 407 CO 0.04 -0.80 0.97 0.34 -1.34 0.00 0.00 175.55 174.76 3hfa s ASP 408 N 1.30 6.27 0.59 4.32 2.15 -0.10 -4.88 116.67 126.32 3hfa s ASP 408 Ca 0.03 -0.57 0.39 0.00 0.43 0.00 0.00 52.55 52.82 3hfa s ASP 408 Cb -0.14 -2.44 1.93 0.00 -0.30 0.00 0.00 42.92 41.97 3hfa s ASP 408 CO -0.11 -1.34 2.17 0.16 -0.17 0.00 0.00 175.17 175.88 3hfa h ILE 409 N 6.00 0.00 -0.02 4.11 3.07 -1.97 -1.93 117.51 126.78 3hfa h ILE 409 Ca -0.27 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.95 3hfa h ILE 409 Cb 1.07 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3hfa h ILE 409 CO 1.13 0.00 -0.12 1.41 -1.05 0.00 0.00 178.15 179.52 3hfa n HIS 410 N -3.00 0.00 -2.07 0.16 8.25 -1.26 -4.95 115.22 112.36 3hfa n HIS 410 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.16 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.19 2.67 0.02 -1.41 0.00 -0.73 -4.96 121.76 115.17 3hfa s ALA 411 Ca 0.31 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3hfa s ALA 411 Cb 0.20 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.71 3hfa s ALA 411 CO 0.40 -1.04 1.30 0.77 0.00 0.00 0.00 175.76 177.19 3hfa h SER 412 N 1.20 -0.36 -3.29 0.00 0.02 -1.92 -3.41 113.55 105.79 3hfa h SER 412 Ca -0.50 -0.15 -0.74 0.00 -0.84 0.00 0.00 61.79 59.56 3hfa h SER 412 Cb 1.28 0.09 -0.25 0.00 0.14 0.00 0.00 62.40 63.67 3hfa h SER 412 CO 0.56 -0.03 -0.34 -0.62 -1.14 0.00 0.00 176.83 175.26 3hfa s ASP 413 N -5.03 5.98 0.59 3.07 2.15 -1.26 -4.95 116.67 117.22 3hfa s ASP 413 Ca -0.14 -1.55 0.29 0.00 0.43 0.00 0.00 52.55 51.58 3hfa s ASP 413 Cb 0.02 -2.12 1.68 0.00 -0.30 0.00 0.00 42.92 42.21 3hfa s ASP 413 CO 0.56 -0.68 2.10 -0.65 -0.17 0.00 0.00 175.17 176.34 3hfa h PRO 414 N 8.67 0.00 -0.45 4.34 0.11 -1.95 -1.27 132.00 141.46 3hfa h PRO 414 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3hfa h PRO 414 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hfa h PRO 414 CO 0.89 0.00 0.10 1.96 -0.21 0.00 0.00 178.00 180.73 3hfa h GLN 415 N 0.00 0.67 -0.10 1.05 1.08 -1.92 -3.15 115.11 112.74 3hfa h GLN 415 Ca 0.08 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3hfa h GLN 415 Cb 0.48 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 3hfa h GLN 415 CO -0.00 0.62 -0.29 -1.13 -0.95 0.00 0.00 178.83 177.08 3hfa n SER 416 N -4.30 2.11 0.00 1.46 3.41 -0.51 -0.66 113.62 115.13 3hfa n SER 416 Ca 0.03 -3.70 0.14 0.00 -0.26 0.00 0.00 58.87 55.08 3hfa n SER 416 Cb 0.21 -0.54 0.68 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.14 2.37 -1.76 7.33 0.00 -1.00 -4.81 120.51 121.49 3hfa n ALA 417 Ca 0.22 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hfa n ALA 417 Cb 0.78 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.72 2.91 -0.01 0.00 0.00 -1.26 -0.92 107.32 105.31 3hfa s GLY 418 Ca 0.22 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.33 3hfa s GLY 418 CO 0.46 1.96 -0.06 0.50 0.00 0.00 0.00 173.10 175.96 3hfa s ARG 419 N -2.49 0.56 -0.08 2.90 1.81 0.17 -4.89 118.95 116.93 3hfa s ARG 419 Ca 0.62 -0.20 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 3hfa s ARG 419 Cb -0.41 -0.55 0.02 0.00 -0.45 0.00 0.00 34.95 33.55 3hfa s ARG 419 CO 0.52 0.09 -0.10 0.42 -0.68 0.00 0.00 175.30 175.56 3hfa s ILE 420 N 0.06 1.03 -0.07 1.52 1.01 -1.26 -0.63 121.20 122.86 3hfa s ILE 420 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hfa s ILE 420 Cb -0.05 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3hfa s ILE 420 CO -0.00 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 3hfa s VAL 421 N 1.08 1.09 0.23 2.92 1.01 0.71 -0.35 120.40 127.10 3hfa s VAL 421 Ca -0.07 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3hfa s VAL 421 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3hfa s VAL 421 CO -0.01 0.35 0.22 -0.94 0.00 0.00 0.00 175.10 174.72 3hfa s SER 422 N 0.80 5.73 0.02 3.32 1.04 -0.47 -0.74 113.70 123.41 3hfa s SER 422 Ca -0.12 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.19 3hfa s SER 422 Cb -0.15 -1.53 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 3hfa s SER 422 CO 0.02 -0.02 -0.07 -0.36 0.98 0.00 0.00 173.24 173.79 3hfa s PHE 423 N -2.01 0.64 0.47 5.02 0.08 -1.23 -1.15 117.98 119.79 3hfa s PHE 423 Ca 0.33 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.18 3hfa s PHE 423 Cb -0.09 -0.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.99 3hfa s PHE 423 CO 0.26 -0.03 0.54 0.16 -0.10 0.00 0.00 175.22 176.04 3hfa s ASP 424 N -0.78 5.23 0.49 1.36 1.47 -0.01 -4.70 116.67 119.72 3hfa s ASP 424 Ca -0.03 -0.71 0.33 0.00 1.18 0.00 0.00 52.55 53.32 3hfa s ASP 424 Cb -0.06 -0.31 1.55 0.00 -0.34 0.00 0.00 42.92 43.76 3hfa s ASP 424 CO 0.00 -0.89 1.99 0.00 0.68 0.00 0.00 175.17 176.95 3hfa h ALA 425 N 0.68 1.00 -0.28 2.11 0.00 -1.92 -2.00 119.26 118.85 3hfa h ALA 425 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hfa h ALA 425 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 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 -1.98 2.46 -0.20 0.00 0.00 -1.26 -4.41 120.51 115.11 3hfa n ALA 426 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3hfa n ALA 426 Cb 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.38 0.71 3.77 0.00 0.00 -0.75 -4.54 105.19 105.75 3hfa n GLY 427 Ca 0.18 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 -1.51 2.91 0.10 -0.02 0.00 -1.25 -4.75 107.32 102.80 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 -0.11 0.66 0.00 0.00 0.00 173.10 175.50 3hfa s TRP 429 N -1.27 1.13 -0.07 1.90 1.48 -1.26 -0.83 118.94 120.03 3hfa s TRP 429 Ca 0.59 -0.60 -0.03 0.00 -1.06 0.00 0.00 56.10 55.00 3hfa s TRP 429 Cb -0.39 -0.62 0.04 0.00 -1.16 0.00 0.00 33.47 31.35 3hfa s TRP 429 CO 0.50 0.03 0.13 1.21 -4.06 0.00 0.00 176.95 174.76 3hfa s ASN 430 N -2.33 0.37 -0.36 -2.66 2.47 -0.30 -4.98 114.94 107.15 3hfa s ASN 430 Ca 0.05 0.27 -0.29 0.00 0.42 0.00 0.00 52.86 53.30 3hfa s ASN 430 Cb -0.04 0.17 0.02 0.00 -1.45 0.00 0.00 41.25 39.94 3hfa s ASN 430 CO 0.01 -0.20 1.12 -0.63 -3.72 0.00 0.00 177.10 173.69 3hfa s ILE 431 N 1.71 4.37 0.18 -5.21 1.01 -1.26 -1.36 121.20 120.63 3hfa s ILE 431 Ca -0.03 1.53 -0.31 0.00 0.00 0.00 0.00 60.65 61.84 3hfa s ILE 431 Cb -0.12 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.82 3hfa s ILE 431 CO -0.05 -0.64 1.44 -0.70 0.00 0.00 0.00 174.94 174.99 3hfa s GLU 432 N 3.97 4.29 0.00 2.79 2.56 0.53 -4.93 118.70 127.91 3hfa s GLU 432 Ca 0.48 2.21 0.08 0.00 0.00 0.00 0.00 54.97 57.74 3hfa s GLU 432 Cb -0.11 -3.18 0.03 0.00 2.00 0.00 0.00 34.13 32.87 3hfa s GLU 432 CO 0.21 -0.45 0.66 0.39 -0.56 0.00 0.00 175.26 175.51 3hfa n GLU 433 N 3.33 1.19 -0.12 4.30 1.02 -1.26 -4.61 120.64 124.48 3hfa n GLU 433 Ca 0.10 -0.77 0.12 0.00 -0.02 0.00 0.00 57.16 56.59 3hfa n GLU 433 Cb 0.41 -1.09 0.17 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.09 2.39 0.00 3.49 1.02 -1.26 -4.98 120.64 121.39 3hfa n GLU 434 Ca 0.04 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 3hfa n GLU 434 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.40 3.15 3.55 0.62 0.00 -1.26 -5.03 105.19 107.63 3hfa n GLY 435 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.79 -0.01 0.20 1.61 -0.85 -1.26 -0.30 117.35 113.94 3hfa s TYR 436 Ca 0.00 -0.35 -0.22 0.00 -0.52 0.00 0.00 57.07 55.98 3hfa s TYR 436 Cb 0.00 0.36 0.05 0.00 0.38 0.00 0.00 41.96 42.75 3hfa s TYR 436 CO 0.00 -0.94 0.66 -1.14 -1.52 0.00 0.00 175.55 172.61 3hfa s GLN 437 N -3.91 1.46 0.02 -3.49 2.00 -0.13 -4.95 119.66 110.65 3hfa s GLN 437 Ca 0.12 -0.67 -0.20 0.00 -2.00 0.00 0.00 55.36 52.61 3hfa s GLN 437 Cb -0.01 0.59 0.04 0.00 0.80 0.00 0.00 33.01 34.43 3hfa s GLN 437 CO 0.00 -0.65 0.45 0.00 -0.50 0.00 0.00 175.29 174.59 3hfa s ALA 438 N -3.78 -1.14 0.05 1.58 0.00 -1.26 -1.37 121.76 115.83 3hfa s ALA 438 Ca 0.05 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3hfa s ALA 438 Cb -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3hfa s ALA 438 CO -0.05 -0.41 -0.06 0.54 0.00 0.00 0.00 175.76 175.78 3hfa s VAL 439 N -2.05 0.42 0.00 0.00 0.11 -0.21 -4.87 120.40 113.80 3hfa s VAL 439 Ca -0.08 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 3hfa s VAL 439 Cb -0.02 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3hfa s VAL 439 CO 0.01 -0.55 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 3hfa n GLY 440 N 1.14 1.34 0.33 6.54 0.00 -1.26 -1.19 105.19 112.09 3hfa n GLY 440 Ca -0.21 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.46 1.61 4.64 -1.27 -1.79 113.55 116.27 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 -1.27 2.71 0.36 -0.77 0.00 -1.12 -4.72 105.19 100.38 3hfa n GLY 442 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 2.70 0.92 -0.10 1.61 4.64 -1.56 -1.55 113.55 120.21 3hfa h SER 443 Ca 0.00 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3hfa h SER 443 Cb 0.82 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3hfa h SER 443 CO 0.01 0.63 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.51 3hfa h LEU 444 N 1.06 -0.07 -0.81 5.97 4.07 -1.84 0.12 115.31 123.81 3hfa h LEU 444 Ca 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 3hfa h LEU 444 Cb 0.04 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 3hfa h LEU 444 CO -0.10 -0.02 0.45 -0.26 -1.08 0.00 0.00 178.44 177.43 3hfa h PHE 445 N 0.02 1.11 -0.65 1.13 0.04 -1.79 -0.97 116.94 115.83 3hfa h PHE 445 Ca 0.05 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3hfa h PHE 445 Cb 0.06 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 3hfa h PHE 445 CO -0.14 0.77 0.09 0.00 -0.60 0.00 0.00 178.31 178.43 3hfa h ALA 446 N 1.24 0.87 -0.11 2.45 0.00 -0.98 -1.90 119.26 120.83 3hfa h ALA 446 Ca 0.29 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 446 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hfa h ALA 446 CO -0.05 0.64 -0.65 0.87 0.00 0.00 0.00 179.25 180.07 3hfa h LYS 447 N 1.00 0.43 -0.00 0.00 1.57 -0.66 -0.24 116.57 118.68 3hfa h LYS 447 Ca 0.20 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3hfa h LYS 447 Cb 0.46 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hfa h LYS 447 CO 0.02 0.94 -0.48 0.77 -0.57 0.00 0.00 179.45 180.12 3hfa h SER 448 N 0.31 0.01 -0.06 0.86 0.02 -1.09 -0.04 113.55 113.56 3hfa h SER 448 Ca -0.01 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3hfa h SER 448 Cb 1.20 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hfa h SER 448 CO 0.11 0.48 -0.23 -1.28 -1.14 0.00 0.00 176.83 174.78 3hfa h SER 449 N 0.00 0.31 -0.01 3.07 0.87 -1.04 -3.21 113.55 113.54 3hfa h SER 449 Ca -0.00 -0.62 -0.05 0.00 -1.23 0.00 0.00 61.79 59.88 3hfa h SER 449 Cb 0.85 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3hfa h SER 449 CO 0.06 0.88 -0.12 0.24 -0.53 0.00 0.00 176.83 177.37 3hfa h MET 450 N -0.24 0.28 -0.98 2.24 2.07 -0.88 -1.62 114.93 115.79 3hfa h MET 450 Ca -0.01 -0.06 0.17 0.00 -2.07 0.00 0.00 59.70 57.73 3hfa h MET 450 Cb 0.86 -0.04 -0.09 0.00 -1.87 0.00 0.00 31.60 30.46 3hfa h MET 450 CO 0.05 0.41 0.61 -0.22 1.07 0.00 0.00 176.91 178.83 3hfa h LYS 451 N 0.27 0.74 0.00 1.72 3.64 -1.00 0.27 116.57 122.20 3hfa h LYS 451 Ca 0.05 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 3hfa h LYS 451 Cb 0.38 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3hfa h LYS 451 CO 0.02 0.49 -1.34 0.87 -2.27 0.00 0.00 179.45 177.22 3hfa h LYS 452 N 0.76 0.00 0.00 1.90 1.79 -1.37 -3.38 116.57 116.26 3hfa h LYS 452 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 3hfa h LYS 452 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3hfa h LYS 452 CO -0.32 0.47 -1.60 1.28 -1.08 0.00 0.00 179.45 178.20 3hfa n LEU 453 N -3.04 0.35 0.28 2.94 4.77 -0.69 -4.55 117.00 117.06 3hfa n LEU 453 Ca -0.09 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3hfa n LEU 453 Cb 0.91 -0.01 0.77 0.00 -2.33 0.00 0.00 43.42 42.76 3hfa n LEU 453 CO 0.44 0.05 1.07 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 -0.68 -0.30 116.97 117.42 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 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.21 3hfa h SER 455 N 0.00 0.00 0.44 -2.11 4.64 -1.83 -1.33 113.55 113.37 3hfa h SER 455 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfa h SER 455 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hfa h SER 455 CO 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.86 3hfa n GLN 456 N -2.83 0.56 -2.78 4.77 6.02 -0.12 -4.82 117.38 118.19 3hfa n GLN 456 Ca -0.01 -0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 3hfa n GLN 456 Cb 0.17 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.55 4.63 0.00 5.09 1.01 -0.50 -4.80 120.40 123.28 3hfa s VAL 457 Ca 0.27 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3hfa s VAL 457 Cb 0.20 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3hfa s VAL 457 CO 0.49 -0.39 0.00 0.35 0.00 0.00 0.00 175.10 175.55 3hfa n THR 458 N 5.74 0.00 -3.82 3.92 -2.24 -1.26 -4.87 114.28 111.74 3hfa n THR 458 Ca 0.08 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3hfa n THR 458 Cb 0.48 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.37 0.01 0.36 3.42 1.47 -1.26 -4.55 116.67 115.74 3hfa s ASP 459 Ca 0.00 -1.07 0.03 0.00 1.18 0.00 0.00 52.55 52.70 3hfa s ASP 459 Cb 0.00 0.79 0.67 0.00 -0.34 0.00 0.00 42.92 44.04 3hfa s ASP 459 CO 0.00 -1.57 2.01 1.23 0.68 0.00 0.00 175.17 177.52 3hfa h GLY 460 N 2.00 0.87 0.61 2.12 0.00 -1.95 0.34 103.07 107.06 3hfa h GLY 460 Ca -0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3hfa h GLY 460 CO 0.40 0.30 -0.01 -1.80 0.00 0.00 0.00 176.54 175.44 3hfa h ASP 461 N 0.82 -0.02 0.25 0.19 1.82 -1.99 -0.02 116.42 117.47 3hfa h ASP 461 Ca 0.23 -0.38 -0.11 0.00 -0.39 0.00 0.00 57.03 56.38 3hfa h ASP 461 Cb -0.05 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 3hfa h ASP 461 CO -0.05 0.38 -0.41 0.77 -1.61 0.00 0.00 179.24 178.31 3hfa h SER 462 N -0.41 0.22 -0.26 2.28 4.64 -1.86 -1.81 113.55 116.35 3hfa h SER 462 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3hfa h SER 462 Cb 0.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3hfa h SER 462 CO 0.00 0.62 0.17 1.23 -0.87 0.00 0.00 176.83 177.98 3hfa h GLY 463 N 1.23 0.37 0.99 -0.77 0.00 -0.77 -1.11 103.07 103.01 3hfa h GLY 463 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hfa h GLY 463 CO 0.06 0.14 0.32 -2.00 0.00 0.00 0.00 176.54 175.07 3hfa h LEU 464 N 0.35 0.65 -0.30 3.11 5.85 -0.77 -1.45 115.31 122.76 3hfa h LEU 464 Ca 0.10 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3hfa h LEU 464 Cb -0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3hfa h LEU 464 CO -0.02 0.52 0.14 -0.09 -0.34 0.00 0.00 178.44 178.65 3hfa h ARG 465 N 0.73 0.28 -0.65 1.25 2.43 -1.09 -0.77 114.38 116.56 3hfa h ARG 465 Ca 0.19 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3hfa h ARG 465 Cb -0.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hfa h ARG 465 CO -0.04 0.19 0.23 0.28 -1.51 0.00 0.00 179.97 179.12 3hfa h VAL 466 N 0.29 1.23 -0.40 0.20 2.07 -1.00 -0.08 116.25 118.57 3hfa h VAL 466 Ca 0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3hfa h VAL 466 Cb 0.05 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hfa h VAL 466 CO -0.10 0.30 0.16 0.00 0.02 0.00 0.00 177.57 177.96 3hfa h ALA 467 N 1.31 0.52 -0.48 1.67 0.00 -0.78 0.38 119.26 121.87 3hfa h ALA 467 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 467 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 467 CO -0.01 0.12 -0.07 0.28 0.00 0.00 0.00 179.25 179.56 3hfa h VAL 468 N 0.50 1.26 -0.35 0.00 2.07 -0.82 -1.78 116.25 117.12 3hfa h VAL 468 Ca 0.13 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 3hfa h VAL 468 Cb 0.19 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hfa h VAL 468 CO -0.01 0.40 -0.27 -0.08 0.02 0.00 0.00 177.57 177.64 3hfa h GLU 469 N 0.78 0.72 -0.72 1.57 4.81 -0.75 0.22 114.58 121.21 3hfa h GLU 469 Ca 0.13 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3hfa h GLU 469 Cb 0.57 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3hfa h GLU 469 CO 0.03 0.91 0.32 0.00 -0.73 0.00 0.00 179.01 179.55 3hfa h ALA 470 N 1.08 0.94 -0.76 2.92 0.00 -0.61 0.99 119.26 123.81 3hfa h ALA 470 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hfa h ALA 470 Cb 0.77 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hfa h ALA 470 CO 0.06 0.53 0.39 -0.07 0.00 0.00 0.00 179.25 180.16 3hfa h LEU 471 N 1.02 0.97 -0.36 0.00 4.07 -1.07 -0.73 115.31 119.21 3hfa h LEU 471 Ca 0.25 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.10 3hfa h LEU 471 Cb 0.16 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 3hfa h LEU 471 CO -0.03 0.82 0.22 0.22 -1.08 0.00 0.00 178.44 178.59 3hfa h TYR 472 N 1.06 0.42 -0.60 1.13 3.20 -0.12 -0.20 116.97 121.87 3hfa h TYR 472 Ca 0.26 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 3hfa h TYR 472 Cb 0.08 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3hfa h TYR 472 CO 0.01 0.25 0.16 -0.44 -1.64 0.00 0.00 178.16 176.50 3hfa h ASP 473 N 0.45 0.85 -0.43 -2.11 3.32 -0.63 -0.74 116.42 117.14 3hfa h ASP 473 Ca 0.14 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3hfa h ASP 473 Cb -0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3hfa h ASP 473 CO -0.05 0.82 0.20 0.00 -1.72 0.00 0.00 179.24 178.49 3hfa h ALA 474 N 1.29 0.55 -0.21 3.45 0.00 -0.56 -2.48 119.26 121.30 3hfa h ALA 474 Ca 0.19 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 474 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 474 CO -0.00 0.12 -0.21 0.00 0.00 0.00 0.00 179.25 179.15 3hfa h ALA 475 N 1.05 1.26 -0.31 0.00 0.00 -0.70 0.11 119.26 120.68 3hfa h ALA 475 Ca 0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hfa h ALA 475 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 475 CO -0.02 0.49 0.03 0.22 0.00 0.00 0.00 179.25 179.97 3hfa h ASP 476 N 0.33 0.43 0.00 0.00 3.58 -0.74 -3.25 116.42 116.77 3hfa h ASP 476 Ca 0.06 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3hfa h ASP 476 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hfa h ASP 476 CO 0.04 0.47 -0.78 0.47 -2.88 0.00 0.00 179.24 176.56 3hfa n ASP 477 N -4.32 0.95 -3.94 2.28 8.00 -0.97 -4.92 116.55 113.63 3hfa n ASP 477 Ca 0.01 -0.59 -0.30 0.00 0.71 0.00 0.00 54.79 54.62 3hfa n ASP 477 Cb 0.21 1.13 -0.16 0.00 -0.02 0.00 0.00 41.12 42.28 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 -2.39 3.57 0.59 -2.24 2.15 0.35 -5.00 116.67 113.70 3hfa s ASP 478 Ca 0.02 -1.02 0.38 0.00 0.43 0.00 0.00 52.55 52.36 3hfa s ASP 478 Cb 0.08 -1.14 1.87 0.00 -0.30 0.00 0.00 42.92 43.44 3hfa s ASP 478 CO 0.48 -0.21 2.15 0.77 -0.17 0.00 0.00 175.17 178.19 3hfa h SER 479 N 7.99 0.00 0.11 -0.34 4.64 -1.85 -1.66 113.55 122.44 3hfa h SER 479 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3hfa h SER 479 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hfa h SER 479 CO 0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.35 3hfa n ALA 480 N -2.06 2.68 -2.90 5.18 0.00 -1.26 -4.75 120.51 117.40 3hfa n ALA 480 Ca -0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 3hfa n ALA 480 Cb 0.17 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.15 3.20 -0.01 0.00 2.01 -0.62 -0.52 115.64 117.55 3hfa s THR 481 Ca 0.39 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 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 0.54 0.55 -0.83 -0.69 0.00 0.00 174.62 174.58 3hfa s GLY 482 N 0.04 2.57 0.78 4.40 0.00 -1.26 -4.49 107.32 109.36 3hfa s GLY 482 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 3hfa s GLY 482 CO 0.04 0.62 1.09 -0.32 0.00 0.00 0.00 173.10 174.53 3hfa s GLY 483 N -0.36 1.75 0.21 0.20 0.00 -1.26 -4.55 107.32 103.31 3hfa s GLY 483 Ca 0.29 -1.39 -0.32 0.00 0.00 0.00 0.00 44.72 43.29 3hfa s GLY 483 CO 0.16 -0.81 1.59 -1.05 0.00 0.00 0.00 173.10 172.99 3hfa n PRO 484 N -3.12 2.38 -3.44 2.90 -0.02 -1.26 -4.90 135.00 127.55 3hfa n PRO 484 Ca 0.13 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 3hfa n PRO 484 Cb 0.60 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.78 5.95 0.29 2.55 -1.08 -0.00 -4.93 116.67 120.23 3hfa s ASP 485 Ca 0.73 -1.90 0.14 0.00 -0.52 0.00 0.00 52.55 50.99 3hfa s ASP 485 Cb -0.60 -2.10 0.37 0.00 -1.46 0.00 0.00 42.92 39.13 3hfa s ASP 485 CO 0.40 -0.76 1.60 -0.07 0.52 0.00 0.00 175.17 176.86 3hfa h LEU 486 N 8.60 0.00 -0.07 -1.34 4.07 -1.93 0.21 115.31 124.86 3hfa h LEU 486 Ca -0.24 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 3hfa h LEU 486 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3hfa h LEU 486 CO 0.93 0.57 -0.04 0.58 -1.08 0.00 0.00 178.44 179.40 3hfa h VAL 487 N 0.00 1.33 0.00 1.22 2.07 -1.97 -3.26 116.25 115.64 3hfa h VAL 487 Ca -0.01 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hfa h VAL 487 Cb 1.14 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3hfa h VAL 487 CO 0.07 0.30 -0.56 0.03 0.02 0.00 0.00 177.57 177.43 3hfa h ARG 488 N -0.24 0.00 -2.81 1.57 3.08 -1.99 -3.48 114.38 110.51 3hfa h ARG 488 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3hfa h ARG 488 Cb 0.49 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.59 3hfa h ARG 488 CO 0.01 0.00 -0.23 0.41 -1.07 0.00 0.00 179.97 179.09 3hfa n GLY 489 N 1.16 0.36 3.32 0.04 0.00 0.66 -5.06 105.19 105.67 3hfa n GLY 489 Ca 0.02 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.11 2.74 0.22 -0.61 1.01 -0.64 -5.00 121.20 115.81 3hfa s ILE 490 Ca 0.12 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3hfa s ILE 490 Cb -0.05 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3hfa s ILE 490 CO 0.24 0.53 -0.05 -0.36 0.00 0.00 0.00 174.94 175.31 3hfa s PHE 491 N 0.37 1.60 0.75 3.97 0.08 -1.26 -0.82 117.98 122.68 3hfa s PHE 491 Ca -0.13 -0.81 -0.15 0.00 0.12 0.00 0.00 56.93 55.96 3hfa s PHE 491 Cb -0.16 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 3hfa s PHE 491 CO 0.06 0.09 0.82 -2.30 -0.10 0.00 0.00 175.22 173.79 3hfa n PRO 492 N -0.41 0.33 -4.03 0.24 -0.02 -1.26 -4.84 135.00 125.01 3hfa n PRO 492 Ca -0.06 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.34 3hfa n PRO 492 Cb 0.63 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.94 4.85 -0.00 3.45 -4.23 -0.66 -4.94 115.64 112.17 3hfa s THR 493 Ca 0.70 -1.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 3hfa s THR 493 Cb -0.33 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 69.98 3hfa s THR 493 CO 0.54 -0.21 0.25 0.00 -0.54 0.00 0.00 174.62 174.67 3hfa s ALA 494 N -1.88 -0.62 -0.03 3.99 0.00 -1.26 -1.23 121.76 120.73 3hfa s ALA 494 Ca 0.33 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.48 3hfa s ALA 494 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 494 CO 0.26 -0.26 -0.20 0.08 0.00 0.00 0.00 175.76 175.64 3hfa s VAL 495 N -1.53 1.60 -0.08 0.00 1.01 0.71 -0.56 120.40 121.55 3hfa s VAL 495 Ca -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3hfa s VAL 495 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3hfa s VAL 495 CO 0.02 0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 3hfa s ILE 496 N -0.31 3.15 -0.10 2.22 1.01 -0.42 -1.03 121.20 125.72 3hfa s ILE 496 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3hfa s ILE 496 Cb -0.09 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3hfa s ILE 496 CO 0.00 0.57 -0.10 -0.63 0.00 0.00 0.00 174.94 174.78 3hfa s ILE 497 N -0.37 1.14 0.00 2.92 1.01 -0.28 -0.76 121.20 124.87 3hfa s ILE 497 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3hfa s ILE 497 Cb -0.12 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.25 3hfa s ILE 497 CO 0.02 0.37 0.00 -0.90 0.00 0.00 0.00 174.94 174.44 3hfa n ASP 498 N 4.46 0.57 0.30 3.58 5.68 -1.16 -1.18 116.55 128.80 3hfa n ASP 498 Ca -0.17 -0.08 0.16 0.00 -0.50 0.00 0.00 54.79 54.19 3hfa n ASP 498 Cb 0.51 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.42 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 1.51 -0.03 2.12 0.00 -1.95 0.15 119.26 122.06 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 499 CO 0.00 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3hfa n ASP 500 N -3.81 1.00 0.00 0.00 8.00 -1.26 -5.04 116.55 115.44 3hfa n ASP 500 Ca -0.03 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.09 3hfa n ASP 500 Cb 0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 1.09 0.78 3.72 0.44 0.00 0.04 -5.00 105.19 106.27 3hfa n GLY 501 Ca 0.20 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.20 3.33 0.02 4.61 0.00 0.13 -2.96 121.76 125.69 3hfa s ALA 502 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.17 3hfa s ALA 502 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 3hfa s ALA 502 CO 0.00 -0.07 -0.06 0.14 0.00 0.00 0.00 175.76 175.78 3hfa s VAL 503 N 0.59 0.41 0.16 0.00 -7.23 0.06 -4.97 120.40 109.42 3hfa s VAL 503 Ca 0.39 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 3hfa s VAL 503 Cb -0.19 -0.43 -0.08 0.00 0.56 0.00 0.00 36.38 36.25 3hfa s VAL 503 CO 0.20 -0.16 1.31 -1.81 -0.31 0.00 0.00 175.10 174.32 3hfa s ASP 504 N -0.87 6.92 0.06 4.85 1.01 -1.26 -1.29 116.67 126.08 3hfa s ASP 504 Ca -0.05 2.32 -0.30 0.00 0.71 0.00 0.00 52.55 55.23 3hfa s ASP 504 Cb -0.06 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 3hfa s ASP 504 CO 0.00 -0.54 1.04 -0.69 0.21 0.00 0.00 175.17 175.19 3hfa s VAL 505 N 0.46 4.49 0.27 -1.27 1.01 0.27 -4.91 120.40 120.73 3hfa s VAL 505 Ca 0.59 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.15 3hfa s VAL 505 Cb -0.35 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 3hfa s VAL 505 CO 0.35 0.20 1.57 -2.84 0.00 0.00 0.00 175.10 174.38 3hfa s PRO 506 N 0.62 4.16 0.28 2.72 0.02 -1.26 -4.62 135.00 136.93 3hfa s PRO 506 Ca 0.52 2.50 0.02 0.00 0.02 0.00 0.00 61.00 64.06 3hfa s PRO 506 Cb -0.24 -3.05 0.69 0.00 0.02 0.00 0.00 34.50 31.91 3hfa s PRO 506 CO 0.29 -0.59 1.68 1.49 -0.33 0.00 0.00 177.00 179.54 3hfa h GLU 507 N 5.13 0.31 -0.75 5.54 4.81 -1.94 -1.60 114.58 126.08 3hfa h GLU 507 Ca -0.46 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 3hfa h GLU 507 Cb 1.22 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 3hfa h GLU 507 CO 0.81 0.21 0.35 0.66 -0.73 0.00 0.00 179.01 180.30 3hfa h SER 508 N 0.32 0.39 -0.31 1.04 4.64 -1.99 0.24 113.55 117.89 3hfa h SER 508 Ca 0.54 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.88 3hfa h SER 508 Cb 1.03 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3hfa h SER 508 CO -0.56 0.19 -0.01 -0.09 -0.87 0.00 0.00 176.83 175.48 3hfa h ARG 509 N 0.54 0.66 -0.07 4.77 2.43 -1.67 -2.11 114.38 118.93 3hfa h ARG 509 Ca 0.40 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 3hfa h ARG 509 Cb 0.53 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3hfa h ARG 509 CO -0.34 0.68 -0.90 0.82 -1.51 0.00 0.00 179.97 178.72 3hfa h ILE 510 N 0.62 1.30 -0.65 1.20 2.04 -1.19 -2.76 117.51 118.07 3hfa h ILE 510 Ca 0.13 -2.16 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 3hfa h ILE 510 Cb 0.40 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 3hfa h ILE 510 CO 0.02 0.67 0.33 0.00 0.00 0.00 0.00 178.15 179.16 3hfa h ALA 511 N 0.56 1.35 -0.51 1.87 0.00 -0.81 -1.55 119.26 120.17 3hfa h ALA 511 Ca -0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3hfa h ALA 511 Cb 1.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3hfa h ALA 511 CO 0.17 0.52 -0.02 1.49 0.00 0.00 0.00 179.25 181.41 3hfa h GLU 512 N 0.92 0.86 -0.45 0.00 4.22 -1.33 -2.32 114.58 116.47 3hfa h GLU 512 Ca 0.23 -0.25 -0.11 0.00 0.08 0.00 0.00 59.36 59.30 3hfa h GLU 512 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hfa h GLU 512 CO -0.03 0.87 -0.18 -0.07 -2.18 0.00 0.00 179.01 177.42 3hfa h LEU 513 N 0.80 0.88 -0.10 1.64 4.07 -1.07 -2.34 115.31 119.18 3hfa h LEU 513 Ca 0.15 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3hfa h LEU 513 Cb 0.50 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 3hfa h LEU 513 CO 0.03 1.04 0.05 0.00 -1.08 0.00 0.00 178.44 178.48 3hfa h ALA 514 N 1.02 0.13 -0.77 1.53 0.00 -1.01 0.06 119.26 120.23 3hfa h ALA 514 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 514 Cb 0.71 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3hfa h ALA 514 CO 0.05 -0.32 0.51 0.00 0.00 0.00 0.00 179.25 179.49 3hfa h ARG 515 N 0.06 1.00 -0.62 0.00 3.08 -1.40 0.77 114.38 117.27 3hfa h ARG 515 Ca 0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hfa h ARG 515 Cb 0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3hfa h ARG 515 CO -0.01 0.66 0.35 0.00 -1.07 0.00 0.00 179.97 179.90 3hfa h ALA 516 N 1.29 0.80 -0.26 0.04 0.00 -1.15 0.73 119.26 120.70 3hfa h ALA 516 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 516 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3hfa h ALA 516 CO -0.07 0.30 -0.06 0.82 0.00 0.00 0.00 179.25 180.25 3hfa h ILE 517 N 0.84 1.28 -0.22 0.00 2.04 -0.12 -1.22 117.51 120.11 3hfa h ILE 517 Ca 0.22 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hfa h ILE 517 Cb 0.03 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3hfa h ILE 517 CO -0.04 0.33 0.10 0.40 0.00 0.00 0.00 178.15 178.95 3hfa h ILE 518 N 0.26 1.14 -0.89 -0.67 2.04 0.97 -2.20 117.51 118.16 3hfa h ILE 518 Ca 0.07 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3hfa h ILE 518 Cb 0.52 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3hfa h ILE 518 CO 0.02 0.14 0.50 -0.08 0.00 0.00 0.00 178.15 178.74 3hfa h GLU 519 N 0.23 1.23 -0.31 2.37 4.81 0.48 -2.08 114.58 121.31 3hfa h GLU 519 Ca 0.08 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3hfa h GLU 519 Cb 0.13 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3hfa h GLU 519 CO -0.01 0.89 0.07 1.03 -0.73 0.00 0.00 179.01 180.26 3hfa h SER 520 N 1.24 0.41 0.26 1.04 0.87 -0.95 -2.81 113.55 113.62 3hfa h SER 520 Ca 0.32 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hfa h SER 520 Cb 0.01 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3hfa h SER 520 CO -0.05 0.43 -0.47 0.54 -0.53 0.00 0.00 176.83 176.75 3hfa n ARG 521 N -4.35 0.49 0.00 2.24 1.74 -0.85 -5.09 116.66 110.83 3hfa n ARG 521 Ca 0.01 -0.32 0.15 0.00 -0.77 0.00 0.00 57.85 56.92 3hfa n ARG 521 Cb 0.18 -1.49 0.81 0.00 -1.02 0.00 0.00 32.46 30.94 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54