#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 0.23 -0.07 12.58 2.01 -1.26 -0.39 115.64 128.74 3hfa s THR 302 Ca 0.00 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.02 3hfa s THR 302 Cb 0.00 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.24 3hfa s THR 302 CO 0.00 0.12 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.26 3hfa s ILE 303 N 0.61 1.47 0.18 1.82 1.01 -0.37 -2.35 121.20 123.57 3hfa s ILE 303 Ca -0.06 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.01 3hfa s ILE 303 Cb -0.09 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3hfa s ILE 303 CO -0.01 0.43 -0.24 0.68 0.00 0.00 0.00 174.94 175.80 3hfa s VAL 304 N 0.49 2.27 -0.09 2.92 -7.23 0.16 -1.26 120.40 117.66 3hfa s VAL 304 Ca -0.15 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 57.95 3hfa s VAL 304 Cb -0.16 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.73 3hfa s VAL 304 CO 0.05 -0.12 0.25 0.00 -0.31 0.00 0.00 175.10 174.97 3hfa s ALA 305 N -1.65 -0.61 -0.01 1.32 0.00 -0.42 -1.03 121.76 119.36 3hfa s ALA 305 Ca 0.19 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3hfa s ALA 305 Cb -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3hfa s ALA 305 CO 0.09 -0.12 0.23 -0.48 0.00 0.00 0.00 175.76 175.48 3hfa s LEU 306 N 0.06 1.17 0.02 0.00 0.05 -0.39 -0.94 118.68 118.65 3hfa s LEU 306 Ca -0.01 -0.02 -0.21 0.00 0.05 0.00 0.00 54.13 53.94 3hfa s LEU 306 Cb -0.02 0.99 -0.06 0.00 -2.05 0.00 0.00 46.19 45.06 3hfa s LEU 306 CO 0.00 -0.40 0.61 -0.54 -0.55 0.00 0.00 176.35 175.48 3hfa s LYS 307 N -1.28 4.32 0.31 1.48 1.02 0.76 -1.15 119.74 125.19 3hfa s LYS 307 Ca -0.13 0.77 0.05 0.00 0.02 0.00 0.00 55.97 56.68 3hfa s LYS 307 Cb -0.06 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 3hfa s LYS 307 CO 0.03 0.41 -0.00 1.52 -0.92 0.00 0.00 175.35 176.39 3hfa s TYR 308 N -0.35 2.01 -0.22 3.18 -0.85 -0.53 -4.94 117.35 115.64 3hfa s TYR 308 Ca 0.31 -0.80 -0.28 0.00 -0.52 0.00 0.00 57.07 55.78 3hfa s TYR 308 Cb -0.19 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 40.85 3hfa s TYR 308 CO 0.18 0.19 2.15 -2.14 -1.52 0.00 0.00 175.55 174.41 3hfa s PRO 309 N -3.79 3.19 0.00 -3.49 0.02 -1.26 -1.55 135.00 128.12 3hfa s PRO 309 Ca 0.33 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3hfa s PRO 309 Cb 0.06 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 30.24 3hfa s PRO 309 CO 0.14 -2.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.19 3hfa n GLY 310 N 5.67 0.27 0.00 0.52 0.00 0.14 -4.73 105.19 107.06 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 -1.77 1.35 3.12 -0.02 0.00 -0.60 -4.15 105.19 103.13 3hfa n GLY 311 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.10 0.10 0.01 1.61 0.11 -0.39 -1.45 120.40 118.29 3hfa s VAL 312 Ca 0.00 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3hfa s VAL 312 Cb 0.00 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3hfa s VAL 312 CO 0.00 -0.44 -0.13 0.54 -3.33 0.00 0.00 175.10 171.74 3hfa s VAL 313 N -1.78 1.06 -0.03 2.04 0.11 -0.30 -0.99 120.40 120.51 3hfa s VAL 313 Ca -0.12 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 3hfa s VAL 313 Cb -0.05 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3hfa s VAL 313 CO -0.00 0.19 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.54 3hfa s MET 314 N -0.61 1.03 0.02 1.54 1.75 -0.16 -1.26 119.30 121.61 3hfa s MET 314 Ca 0.04 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 3hfa s MET 314 Cb -0.06 -0.95 -0.02 0.00 2.84 0.00 0.00 34.83 36.64 3hfa s MET 314 CO 0.00 0.11 -0.05 0.00 -0.65 0.00 0.00 175.02 174.43 3hfa s ALA 315 N 0.24 0.36 0.04 4.11 0.00 -0.19 -0.25 121.76 126.06 3hfa s ALA 315 Ca -0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 3hfa s ALA 315 Cb -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3hfa s ALA 315 CO 0.01 -0.04 -0.04 0.20 0.00 0.00 0.00 175.76 175.89 3hfa s GLY 316 N -1.15 0.40 0.56 0.00 0.00 -0.45 -0.66 107.32 106.01 3hfa s GLY 316 Ca -0.09 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 3hfa s GLY 316 CO -0.00 -1.02 0.76 2.09 0.00 0.00 0.00 173.10 174.93 3hfa n ASP 317 N 0.82 0.14 0.00 1.64 5.75 -0.99 -1.68 116.55 122.22 3hfa n ASP 317 Ca -0.19 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3hfa n ASP 317 Cb 0.58 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.59 1.05 -3.49 0.11 5.12 -1.26 -4.49 116.66 111.10 3hfa n ARG 318 Ca 0.10 -0.97 -0.35 0.00 -1.93 0.00 0.00 57.85 54.70 3hfa n ARG 318 Cb 0.34 -0.95 -0.06 0.00 -1.16 0.00 0.00 32.46 30.63 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 -0.49 3.86 0.04 5.56 3.52 -1.26 -1.43 118.95 128.75 3hfa s ARG 319 Ca 0.00 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.97 3hfa s ARG 319 Cb 0.00 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 3hfa s ARG 319 CO 0.00 0.56 -0.14 -1.54 -0.81 0.00 0.00 175.30 173.37 3hfa s SER 320 N -1.63 1.61 0.08 -2.12 1.04 -0.77 -4.65 113.70 107.25 3hfa s SER 320 Ca 0.33 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.37 3hfa s SER 320 Cb -0.15 -0.10 -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 0.00 173.24 174.69 3hfa s THR 321 N -0.83 1.29 -0.44 2.02 -4.23 -1.26 -0.15 115.64 112.03 3hfa s THR 321 Ca 0.01 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3hfa s THR 321 Cb -0.08 -1.21 0.12 0.00 1.34 0.00 0.00 72.50 72.67 3hfa s THR 321 CO 0.01 -0.17 0.17 -1.58 -0.54 0.00 0.00 174.62 172.51 3hfa s GLN 322 N -1.77 1.77 7.96 3.99 0.74 0.22 -4.83 119.66 127.74 3hfa s GLN 322 Ca 0.00 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.15 3hfa s GLN 322 Cb -0.10 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.72 3hfa s GLN 322 CO 0.03 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 3hfa n GLY 323 N 3.67 3.46 0.14 2.59 0.00 -1.26 -2.15 105.19 111.64 3hfa n GLY 323 Ca 0.04 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.53 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 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3hfa h ASN 324 CO 0.00 0.05 0.43 -0.04 -1.65 0.00 0.00 177.43 176.22 3hfa s MET 325 N -3.29 4.63 -0.26 0.81 -1.94 -0.92 -4.98 119.30 113.35 3hfa s MET 325 Ca 0.01 1.60 -0.29 0.00 -1.71 0.00 0.00 55.69 55.30 3hfa s MET 325 Cb 0.08 -3.33 -0.00 0.00 2.01 0.00 0.00 34.83 33.59 3hfa s MET 325 CO 0.76 0.11 1.28 0.42 -0.01 0.00 0.00 175.02 177.58 3hfa s ILE 326 N -0.01 4.21 -0.73 2.53 1.01 -1.26 -0.61 121.20 126.34 3hfa s ILE 326 Ca 0.49 1.40 0.14 0.00 0.00 0.00 0.00 60.65 62.68 3hfa s ILE 326 Cb -0.26 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 3hfa s ILE 326 CO 0.32 -0.36 0.61 -1.54 0.00 0.00 0.00 174.94 173.96 3hfa n SER 327 N 7.26 0.76 -3.54 3.58 3.41 0.78 -4.91 113.62 120.97 3hfa n SER 327 Ca 0.14 -0.88 -0.18 0.00 -0.26 0.00 0.00 58.87 57.70 3hfa n SER 327 Cb 0.46 0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.21 -0.56 0.00 5.00 0.00 -0.91 -4.90 107.32 103.74 3hfa s GLY 328 Ca 0.06 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.12 3hfa s GLY 328 CO 0.53 0.99 0.32 0.54 0.00 0.00 0.00 173.10 175.48 3hfa n ARG 329 N 1.06 0.07 -0.50 2.90 1.74 -1.25 -1.85 116.66 118.83 3hfa n ARG 329 Ca -0.19 -0.32 0.02 0.00 -0.77 0.00 0.00 57.85 56.59 3hfa n ARG 329 Cb 0.57 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.10 0.44 -4.74 0.55 5.68 -0.96 -4.66 116.55 112.75 3hfa n ASP 330 Ca 0.00 -2.19 -0.42 0.00 -0.50 0.00 0.00 54.79 51.69 3hfa n ASP 330 Cb 0.06 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 39.77 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 -0.47 2.12 -0.25 2.12 1.01 -0.51 -4.98 120.40 119.43 3hfa s VAL 331 Ca 0.07 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3hfa s VAL 331 Cb 0.07 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3hfa s VAL 331 CO -0.01 0.01 0.10 -0.13 0.00 0.00 0.00 175.10 175.08 3hfa s ARG 332 N -0.19 3.79 0.00 2.72 0.52 -1.26 -4.21 118.95 120.32 3hfa s ARG 332 Ca 0.65 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 3hfa s ARG 332 Cb -0.48 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 31.62 3hfa s ARG 332 CO 0.45 -0.11 0.60 1.63 0.02 0.00 0.00 175.30 177.88 3hfa n LYS 333 N 4.73 0.80 -4.06 3.54 5.02 -1.26 -4.94 118.16 121.99 3hfa n LYS 333 Ca -0.16 -0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 55.11 3hfa n LYS 333 Cb 0.52 -1.04 -0.15 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.66 2.33 -0.05 -0.18 1.01 -1.26 -2.57 120.40 119.03 3hfa s VAL 334 Ca 0.06 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.04 3hfa s VAL 334 Cb 0.05 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3hfa s VAL 334 CO 0.10 0.35 -0.23 -0.31 0.00 0.00 0.00 175.10 175.00 3hfa s TYR 335 N 1.27 2.46 -0.21 5.22 2.02 0.18 -4.96 117.35 123.33 3hfa s TYR 335 Ca 0.01 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.84 3hfa s TYR 335 Cb -0.15 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3hfa s TYR 335 CO -0.09 -0.12 1.24 0.42 -1.57 0.00 0.00 175.55 175.43 3hfa s ILE 336 N -0.32 4.30 -0.09 2.71 1.01 -1.26 -0.27 121.20 127.29 3hfa s ILE 336 Ca 0.01 1.55 0.19 0.00 0.00 0.00 0.00 60.65 62.41 3hfa s ILE 336 Cb -0.13 -4.08 -0.29 0.00 0.01 0.00 0.00 42.46 37.97 3hfa s ILE 336 CO 0.02 -0.23 0.31 0.35 0.00 0.00 0.00 174.94 175.40 3hfa n THR 337 N 5.57 0.49 -3.35 2.92 -2.24 -0.49 -4.95 114.28 112.23 3hfa n THR 337 Ca 0.14 -0.60 -0.04 0.00 -2.27 0.00 0.00 64.05 61.28 3hfa n THR 337 Cb 0.45 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.40 -0.99 0.24 3.42 5.68 -1.18 -4.47 116.55 116.84 3hfa n ASP 338 Ca -0.14 -1.69 0.18 0.00 -0.50 0.00 0.00 54.79 52.64 3hfa n ASP 338 Cb 0.76 1.64 0.88 0.00 -1.14 0.00 0.00 41.12 43.26 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 0.85 0.00 0.00 -1.12 3.32 -1.95 -2.99 116.42 114.54 3hfa h ASP 339 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3hfa h ASP 339 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3hfa h ASP 339 CO 0.18 0.00 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.28 3hfa n TYR 340 N -3.63 0.00 -3.98 4.55 4.01 -1.26 -0.00 117.16 116.86 3hfa n TYR 340 Ca 0.00 -0.36 -0.09 0.00 -0.16 0.00 0.00 57.90 57.29 3hfa n TYR 340 Cb 0.29 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.00 0.13 0.03 -0.72 -4.23 -1.13 -1.16 115.64 107.56 3hfa s THR 341 Ca 0.10 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3hfa s THR 341 Cb 0.09 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 3hfa s THR 341 CO 0.01 -0.58 -0.06 0.00 -0.54 0.00 0.00 174.62 173.45 3hfa s ALA 342 N -1.99 0.45 -0.09 3.99 0.00 0.53 -1.40 121.76 123.25 3hfa s ALA 342 Ca -0.11 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3hfa s ALA 342 Cb -0.06 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 342 CO -0.03 -0.03 -0.18 0.99 0.00 0.00 0.00 175.76 176.51 3hfa s THR 343 N -1.18 1.62 -0.08 0.00 2.01 0.63 -1.24 115.64 117.41 3hfa s THR 343 Ca -0.09 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3hfa s THR 343 Cb -0.09 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3hfa s THR 343 CO 0.00 0.46 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.42 3hfa s GLY 344 N 0.53 1.53 -0.05 4.40 0.00 -0.38 -0.65 107.32 112.70 3hfa s GLY 344 Ca -0.16 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.63 3hfa s GLY 344 CO 0.06 -0.56 -0.09 -0.42 0.00 0.00 0.00 173.10 172.09 3hfa s ILE 345 N -0.34 0.85 -0.00 0.90 1.01 -1.06 0.53 121.20 123.08 3hfa s ILE 345 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3hfa s ILE 345 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3hfa s ILE 345 CO 0.02 0.29 -0.07 0.00 0.00 0.00 0.00 174.94 175.18 3hfa s ALA 346 N 0.68 3.00 0.00 9.38 0.00 -0.74 -4.95 121.76 129.13 3hfa s ALA 346 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3hfa s ALA 346 Cb -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3hfa s ALA 346 CO 0.02 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3hfa n GLY 347 N 1.61 0.47 3.69 0.00 0.00 -1.26 -0.84 105.19 108.86 3hfa n GLY 347 Ca -0.16 -2.18 -0.53 0.00 0.00 0.00 0.00 46.02 43.15 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 0.53 0.40 -0.05 2.61 -1.04 -0.03 -4.84 114.28 111.86 3hfa n THR 348 Ca 0.00 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 3hfa n THR 348 Cb 0.00 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 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 7.88 0.11 -0.72 2.41 0.00 -1.96 -0.36 119.26 126.61 3hfa h ALA 349 Ca -0.47 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3hfa h ALA 349 Cb 1.30 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3hfa h ALA 349 CO 0.94 -0.51 0.42 0.00 0.00 0.00 0.00 179.25 180.11 3hfa h ALA 350 N 1.15 0.97 -0.42 0.00 0.00 -2.00 -1.49 119.26 117.47 3hfa h ALA 350 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 350 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hfa h ALA 350 CO -0.28 0.13 -0.28 0.28 0.00 0.00 0.00 179.25 179.10 3hfa h VAL 351 N 0.78 1.27 -0.14 0.00 2.07 -1.76 -2.73 116.25 115.74 3hfa h VAL 351 Ca 0.32 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3hfa h VAL 351 Cb 0.16 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3hfa h VAL 351 CO -0.17 0.49 0.09 0.00 0.02 0.00 0.00 177.57 178.00 3hfa h ALA 352 N 0.81 0.18 -0.33 1.67 0.00 -0.37 -0.49 119.26 120.74 3hfa h ALA 352 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 352 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hfa h ALA 352 CO 0.08 -0.32 0.17 0.28 0.00 0.00 0.00 179.25 179.45 3hfa h VAL 353 N 0.18 1.15 -0.33 0.00 2.07 -1.34 -1.97 116.25 116.00 3hfa h VAL 353 Ca 0.05 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3hfa h VAL 353 Cb 0.00 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3hfa h VAL 353 CO -0.01 0.15 -0.18 -0.33 0.02 0.00 0.00 177.57 177.22 3hfa h GLU 354 N 0.40 -0.13 0.16 1.57 5.08 -1.30 -0.98 114.58 119.38 3hfa h GLU 354 Ca 0.11 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hfa h GLU 354 Cb 0.09 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3hfa h GLU 354 CO -0.02 -0.08 -0.49 0.74 -1.00 0.00 0.00 179.01 178.16 3hfa h PHE 355 N -0.13 -1.41 -0.43 4.33 0.04 -0.78 0.61 116.94 119.18 3hfa h PHE 355 Ca 0.17 0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.02 3hfa h PHE 355 Cb 0.39 0.59 -0.04 0.00 2.20 0.00 0.00 35.95 39.09 3hfa h PHE 355 CO -0.39 -0.58 0.18 0.00 -0.60 0.00 0.00 178.31 176.92 3hfa h ALA 356 N -0.45 0.52 0.18 2.45 0.00 -1.15 0.11 119.26 120.91 3hfa h ALA 356 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 356 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hfa h ALA 356 CO -0.25 -0.20 -0.08 -0.09 0.00 0.00 0.00 179.25 178.62 3hfa h ARG 357 N 0.36 -0.23 -0.67 0.00 2.43 -1.01 -2.36 114.38 112.90 3hfa h ARG 357 Ca 0.19 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3hfa h ARG 357 Cb 0.15 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3hfa h ARG 357 CO -0.17 0.11 0.22 1.25 -1.51 0.00 0.00 179.97 179.87 3hfa h LEU 358 N -0.60 0.95 -0.35 3.80 5.85 -0.76 -2.02 115.31 122.17 3hfa h LEU 358 Ca -0.02 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3hfa h LEU 358 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3hfa h LEU 358 CO 0.04 0.87 0.09 0.22 -0.34 0.00 0.00 178.44 179.33 3hfa h TYR 359 N 0.99 0.58 -0.76 1.25 3.20 -0.79 0.76 116.97 122.20 3hfa h TYR 359 Ca 0.22 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3hfa h TYR 359 Cb 0.26 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3hfa h TYR 359 CO 0.02 0.58 0.25 0.00 -1.64 0.00 0.00 178.16 177.37 3hfa h ALA 360 N 0.93 1.02 -0.39 1.82 0.00 -1.27 -1.11 119.26 120.26 3hfa h ALA 360 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 360 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hfa h ALA 360 CO -0.00 0.67 0.23 0.28 0.00 0.00 0.00 179.25 180.43 3hfa h VAL 361 N 1.12 1.05 -0.76 0.00 2.07 -1.08 -2.74 116.25 115.90 3hfa h VAL 361 Ca 0.25 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3hfa h VAL 361 Cb 0.29 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3hfa h VAL 361 CO -0.01 0.09 0.33 -0.08 0.02 0.00 0.00 177.57 177.92 3hfa h GLU 362 N 0.47 1.12 -0.23 1.57 4.81 -0.29 0.92 114.58 122.95 3hfa h GLU 362 Ca 0.15 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hfa h GLU 362 Cb -0.00 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3hfa h GLU 362 CO -0.07 0.90 0.12 -0.07 -0.73 0.00 0.00 179.01 179.16 3hfa h LEU 363 N 1.09 0.30 -0.64 1.64 4.07 -1.14 -1.83 115.31 118.79 3hfa h LEU 363 Ca 0.26 -0.10 -0.14 0.00 0.08 0.00 0.00 57.88 57.98 3hfa h LEU 363 Cb 0.17 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3hfa h LEU 363 CO -0.03 0.31 -0.67 -0.08 -1.08 0.00 0.00 178.44 176.90 3hfa h GLU 364 N 0.26 0.07 -0.31 1.13 4.81 -1.32 -2.48 114.58 116.73 3hfa h GLU 364 Ca 0.08 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3hfa h GLU 364 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3hfa h GLU 364 CO -0.01 0.71 0.18 1.25 -0.73 0.00 0.00 179.01 180.40 3hfa h HIS 365 N 0.05 0.33 -0.31 0.92 2.76 -0.59 -0.58 115.15 117.73 3hfa h HIS 365 Ca -0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.18 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 3hfa h HIS 365 CO 0.01 0.19 0.14 -0.92 -1.30 0.00 0.00 177.93 176.04 3hfa h TYR 366 N 0.36 0.45 -0.53 5.26 3.20 -1.15 -1.31 116.97 123.25 3hfa h TYR 366 Ca 0.12 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3hfa h TYR 366 Cb 0.01 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 3hfa h TYR 366 CO -0.08 0.42 0.27 1.49 -1.64 0.00 0.00 178.16 178.62 3hfa h GLU 367 N 0.36 0.51 -0.39 1.82 4.81 -1.17 0.13 114.58 120.65 3hfa h GLU 367 Ca 0.10 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3hfa h GLU 367 Cb 0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hfa h GLU 367 CO -0.01 0.34 -0.29 0.87 -0.73 0.00 0.00 179.01 179.19 3hfa h LYS 368 N 0.53 0.84 -0.33 1.92 1.57 -0.91 0.27 116.57 120.46 3hfa h LYS 368 Ca 0.23 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3hfa h LYS 368 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hfa h LYS 368 CO -0.16 1.02 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.42 3hfa h LEU 369 N 0.71 0.79 -0.22 2.94 3.38 -0.79 -3.35 115.31 118.78 3hfa h LEU 369 Ca 0.08 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hfa h LEU 369 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hfa h LEU 369 CO 0.07 1.07 -0.71 -0.62 0.09 0.00 0.00 178.44 178.34 3hfa n GLU 370 N -4.25 1.34 -0.10 1.13 -0.58 0.40 -4.97 120.64 113.60 3hfa n GLU 370 Ca -0.03 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 3hfa n GLU 370 Cb 0.45 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 1.37 2.10 3.02 0.62 0.00 0.94 -4.98 105.19 108.25 3hfa n GLY 371 Ca 0.04 0.00 -0.09 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 0.11 0.62 1.61 0.11 -1.19 -4.97 120.40 113.83 3hfa s VAL 372 Ca 0.00 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 57.97 3hfa s VAL 372 Cb 0.00 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3hfa s VAL 372 CO 0.00 -0.51 1.07 -2.84 -3.33 0.00 0.00 175.10 169.48 3hfa s PRO 373 N -1.65 3.15 0.56 1.54 0.02 -1.26 -3.94 135.00 133.41 3hfa s PRO 373 Ca -0.14 1.19 -0.20 0.00 0.02 0.00 0.00 61.00 61.88 3hfa s PRO 373 Cb -0.08 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 3hfa s PRO 373 CO -0.01 -0.95 1.02 1.28 -0.33 0.00 0.00 177.00 178.01 3hfa n LEU 374 N -2.30 3.66 -4.65 -5.54 4.32 -1.26 -5.00 117.00 106.23 3hfa n LEU 374 Ca 0.09 0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 56.65 3hfa n LEU 374 Cb 0.53 -1.40 0.17 0.00 -1.62 0.00 0.00 43.42 41.10 3hfa n LEU 374 CO 0.49 -1.64 0.63 0.42 -1.22 0.00 0.00 177.39 176.07 3hfa s THR 375 N -1.44 2.36 0.22 -5.08 -4.23 -1.26 -4.79 115.64 101.42 3hfa s THR 375 Ca 0.72 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 61.27 3hfa s THR 375 Cb -0.44 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.24 3hfa s THR 375 CO 0.49 -0.15 1.86 0.15 -0.54 0.00 0.00 174.62 176.44 3hfa h PHE 376 N -1.90 1.09 -0.60 3.99 3.57 -1.98 -1.17 116.94 119.94 3hfa h PHE 376 Ca -0.50 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.08 3hfa h PHE 376 Cb 1.29 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 3hfa h PHE 376 CO 0.42 0.73 0.26 0.00 -2.23 0.00 0.00 178.31 177.49 3hfa h ALA 377 N 1.27 0.78 -0.83 2.41 0.00 -2.00 -0.69 119.26 120.21 3hfa h ALA 377 Ca 0.30 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 377 Cb -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 377 CO -0.06 -0.14 0.51 0.78 0.00 0.00 0.00 179.25 180.34 3hfa h GLY 378 N 0.47 1.19 0.94 0.00 0.00 -1.70 -0.90 103.07 103.07 3hfa h GLY 378 Ca 0.29 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3hfa h GLY 378 CO -0.26 0.47 0.44 0.50 0.00 0.00 0.00 176.54 177.70 3hfa h LYS 379 N 1.13 0.86 0.02 4.80 1.57 -0.40 -1.37 116.57 123.18 3hfa h LYS 379 Ca 0.30 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3hfa h LYS 379 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3hfa h LYS 379 CO -0.06 0.57 -0.07 0.82 -0.57 0.00 0.00 179.45 180.14 3hfa h ILE 380 N 0.88 0.81 -1.01 1.86 2.04 -0.72 -2.37 117.51 119.00 3hfa h ILE 380 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 3hfa h ILE 380 Cb -0.05 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3hfa h ILE 380 CO -0.08 0.00 0.66 -1.13 0.00 0.00 0.00 178.15 177.60 3hfa h ASN 381 N -0.14 1.13 -0.41 1.72 -1.24 -0.86 -0.26 115.58 115.51 3hfa h ASN 381 Ca 0.02 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 3hfa h ASN 381 Cb 0.17 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3hfa h ASN 381 CO -0.06 0.80 -0.03 0.03 -1.29 0.00 0.00 177.43 176.87 3hfa h ARG 382 N 1.32 0.76 -0.40 6.67 2.47 -1.16 -1.02 114.38 123.01 3hfa h ARG 382 Ca 0.38 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3hfa h ARG 382 Cb -0.08 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 3hfa h ARG 382 CO -0.10 0.85 0.19 1.25 0.56 0.00 0.00 179.97 182.72 3hfa h LEU 383 N 0.58 0.52 -0.61 3.04 5.85 -1.01 -1.60 115.31 122.09 3hfa h LEU 383 Ca 0.11 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hfa h LEU 383 Cb 0.54 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3hfa h LEU 383 CO 0.03 0.50 0.38 0.00 -0.34 0.00 0.00 178.44 179.01 3hfa h ALA 384 N 1.04 0.80 -0.62 1.25 0.00 -0.94 -0.72 119.26 120.06 3hfa h ALA 384 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 384 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 384 CO -0.02 0.11 0.25 0.82 0.00 0.00 0.00 179.25 180.42 3hfa h ILE 385 N 0.74 1.23 -0.47 0.00 2.04 -1.06 -1.03 117.51 118.96 3hfa h ILE 385 Ca 0.25 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3hfa h ILE 385 Cb 0.03 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3hfa h ILE 385 CO -0.11 0.28 0.31 -0.03 0.00 0.00 0.00 178.15 178.61 3hfa h MET 386 N 0.86 0.62 -0.58 2.37 4.05 -0.76 -0.74 114.93 120.74 3hfa h MET 386 Ca 0.21 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3hfa h MET 386 Cb 0.20 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3hfa h MET 386 CO -0.02 0.41 0.34 0.28 0.23 0.00 0.00 176.91 178.16 3hfa h VAL 387 N 0.64 1.18 -0.76 -5.77 2.07 -0.89 -2.52 116.25 110.19 3hfa h VAL 387 Ca 0.17 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3hfa h VAL 387 Cb -0.07 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3hfa h VAL 387 CO -0.04 0.19 0.44 -0.09 0.02 0.00 0.00 177.57 178.09 3hfa h ARG 388 N 0.79 1.04 -0.06 1.57 2.43 -0.78 -0.87 114.38 118.49 3hfa h ARG 388 Ca 0.21 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 388 Cb -0.00 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3hfa h ARG 388 CO -0.04 0.75 0.20 0.78 -1.51 0.00 0.00 179.97 180.15 3hfa h GLY 389 N 1.09 0.00 -1.67 2.80 0.00 -0.69 -1.14 103.07 103.47 3hfa h GLY 389 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3hfa h GLY 389 CO -0.05 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.48 3hfa n ASN 390 N -3.23 2.73 -0.11 0.19 5.15 -0.34 -4.56 115.26 115.09 3hfa n ASN 390 Ca -0.01 -1.88 -0.05 0.00 -0.60 0.00 0.00 54.58 52.04 3hfa n ASN 390 Cb 0.27 -0.09 0.02 0.00 -0.53 0.00 0.00 39.78 39.46 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 3.95 -0.10 -0.21 1.20 5.85 -1.19 0.28 115.31 125.08 3hfa h LEU 391 Ca 0.00 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 391 Cb 0.85 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3hfa h LEU 391 CO 0.00 -0.02 -0.09 0.00 -0.34 0.00 0.00 178.44 177.99 3hfa h ALA 392 N 1.31 0.09 -0.63 1.25 0.00 -1.81 0.51 119.26 119.98 3hfa h ALA 392 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3hfa h ALA 392 Cb 0.24 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hfa h ALA 392 CO -0.28 -0.51 0.27 0.00 0.00 0.00 0.00 179.25 178.72 3hfa h ALA 393 N 1.13 1.28 -0.55 0.00 0.00 -1.69 -2.54 119.26 116.89 3hfa h ALA 393 Ca 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 393 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hfa h ALA 393 CO -0.25 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.67 3hfa h ALA 394 N 1.39 1.22 0.00 0.00 0.00 0.73 -0.47 119.26 122.13 3hfa h ALA 394 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 394 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hfa h ALA 394 CO -0.02 0.54 0.00 0.52 0.00 0.00 0.00 179.25 180.29 3hfa h MET 395 N 0.81 0.00 -0.22 0.00 2.86 -0.52 -1.05 114.93 116.80 3hfa h MET 395 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hfa h MET 395 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3hfa h MET 395 CO -0.00 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.01 3hfa n GLN 396 N -2.40 2.07 0.00 1.72 1.13 -0.30 -4.93 117.38 114.68 3hfa n GLN 396 Ca 0.02 -1.61 0.00 0.00 -1.94 0.00 0.00 57.00 53.47 3hfa n GLN 396 Cb 0.23 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.13 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 1.29 0.57 2.64 1.08 0.00 -0.40 -5.01 105.19 105.36 3hfa n GLY 397 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 7.50 -4.74 0.99 4.77 -0.51 -4.88 117.00 120.13 3hfa n LEU 398 Ca 0.00 -4.86 -0.35 0.00 -0.03 0.00 0.00 56.01 50.77 3hfa n LEU 398 Cb 0.00 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 39.63 3hfa n LEU 398 CO 0.00 1.83 -0.16 -0.22 -1.33 0.00 0.00 177.39 177.51 3hfa s LEU 399 N -1.67 4.23 -0.06 2.23 2.96 -1.26 -3.65 118.68 121.46 3hfa s LEU 399 Ca 0.47 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 3hfa s LEU 399 Cb 0.15 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hfa s LEU 399 CO -0.05 0.18 0.15 0.00 -1.32 0.00 0.00 176.35 175.31 3hfa s ALA 400 N 0.29 -0.36 -0.13 5.97 0.00 -1.26 -0.85 121.76 125.42 3hfa s ALA 400 Ca 0.10 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3hfa s ALA 400 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3hfa s ALA 400 CO -0.01 -0.09 -0.18 -0.51 0.00 0.00 0.00 175.76 174.97 3hfa s LEU 401 N 0.34 1.90 0.39 0.00 1.43 -0.02 -4.95 118.68 117.78 3hfa s LEU 401 Ca -0.02 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3hfa s LEU 401 Cb -0.03 -1.28 -0.07 0.00 0.03 0.00 0.00 46.19 44.84 3hfa s LEU 401 CO -0.01 0.03 0.78 -2.16 0.23 0.00 0.00 176.35 175.21 3hfa s PRO 402 N 1.02 3.84 -0.08 1.29 0.05 -1.26 -1.79 135.00 138.07 3hfa s PRO 402 Ca -0.04 0.54 0.04 0.00 0.05 0.00 0.00 61.00 61.60 3hfa s PRO 402 Cb -0.15 -2.38 -0.00 0.00 0.05 0.00 0.00 34.50 32.02 3hfa s PRO 402 CO -0.04 -0.01 -0.23 -1.17 0.05 0.00 0.00 177.00 175.61 3hfa s LEU 403 N -3.67 2.02 -0.17 -3.56 2.96 0.19 -3.59 118.68 112.86 3hfa s LEU 403 Ca 0.52 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3hfa s LEU 403 Cb -0.10 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3hfa s LEU 403 CO 0.28 0.17 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.18 3hfa s LEU 404 N 0.23 2.88 -0.03 -0.68 2.96 0.05 -1.25 118.68 122.84 3hfa s LEU 404 Ca -0.14 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3hfa s LEU 404 Cb -0.16 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3hfa s LEU 404 CO 0.07 0.09 -0.20 0.00 -1.32 0.00 0.00 176.35 174.98 3hfa s ALA 405 N 0.83 2.40 0.25 5.97 0.00 -0.37 -0.08 121.76 130.75 3hfa s ALA 405 Ca -0.02 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3hfa s ALA 405 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 3hfa s ALA 405 CO 0.01 0.54 0.57 0.20 0.00 0.00 0.00 175.76 177.09 3hfa s GLY 406 N -0.67 0.18 -0.19 0.00 0.00 0.03 -0.35 107.32 106.31 3hfa s GLY 406 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3hfa s GLY 406 CO -0.00 -0.36 -0.14 -0.47 0.00 0.00 0.00 173.10 172.13 3hfa s TYR 407 N -3.95 2.59 -0.64 1.90 5.04 -0.31 0.30 117.35 122.28 3hfa s TYR 407 Ca 0.15 -1.65 -0.25 0.00 -2.44 0.00 0.00 57.07 52.88 3hfa s TYR 407 Cb -0.03 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.58 3hfa s TYR 407 CO 0.06 -0.77 1.08 0.34 -1.34 0.00 0.00 175.55 174.92 3hfa s ASP 408 N 1.34 6.26 0.63 4.32 2.15 -0.18 -4.87 116.67 126.32 3hfa s ASP 408 Ca 0.00 -0.48 0.40 0.00 0.43 0.00 0.00 52.55 52.90 3hfa s ASP 408 Cb -0.15 -2.48 2.07 0.00 -0.30 0.00 0.00 42.92 42.05 3hfa s ASP 408 CO -0.09 -1.50 2.25 0.16 -0.17 0.00 0.00 175.17 175.82 3hfa h ILE 409 N 6.03 0.05 -0.01 4.11 3.07 -1.97 -1.86 117.51 126.93 3hfa h ILE 409 Ca -0.27 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3hfa h ILE 409 Cb 1.06 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3hfa h ILE 409 CO 1.18 0.01 -0.14 1.41 -1.05 0.00 0.00 178.15 179.56 3hfa n HIS 410 N -3.14 0.00 -2.02 0.16 8.25 -1.26 -4.95 115.22 112.26 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 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.23 2.59 0.01 -1.41 0.00 -0.70 -4.96 121.76 115.05 3hfa s ALA 411 Ca 0.30 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 3hfa s ALA 411 Cb 0.20 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.70 3hfa s ALA 411 CO 0.42 -1.14 1.28 0.77 0.00 0.00 0.00 175.76 177.10 3hfa h SER 412 N 0.99 -0.33 -3.31 0.00 0.02 -1.92 -3.41 113.55 105.59 3hfa h SER 412 Ca -0.50 -0.18 -0.73 0.00 -0.84 0.00 0.00 61.79 59.53 3hfa h SER 412 Cb 1.29 0.08 -0.25 0.00 0.14 0.00 0.00 62.40 63.67 3hfa h SER 412 CO 0.56 0.02 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.29 3hfa s ASP 413 N -5.09 5.96 0.60 3.07 2.15 -1.26 -4.95 116.67 117.15 3hfa s ASP 413 Ca -0.14 -1.52 0.31 0.00 0.43 0.00 0.00 52.55 51.62 3hfa s ASP 413 Cb 0.02 -2.11 1.78 0.00 -0.30 0.00 0.00 42.92 42.31 3hfa s ASP 413 CO 0.56 -0.66 2.16 -0.65 -0.17 0.00 0.00 175.17 176.41 3hfa h PRO 414 N 8.65 0.00 -0.39 4.34 0.11 -1.95 -1.26 132.00 141.50 3hfa h PRO 414 Ca -0.26 0.00 -0.05 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 0.87 0.00 0.05 1.96 -0.21 0.00 0.00 178.00 180.67 3hfa h GLN 415 N 0.00 0.59 -0.08 1.05 1.08 -1.92 -3.16 115.11 112.66 3hfa h GLN 415 Ca 0.05 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3hfa h GLN 415 Cb 0.32 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3hfa h GLN 415 CO -0.00 0.58 -0.27 -1.13 -0.95 0.00 0.00 178.83 177.05 3hfa n SER 416 N -4.29 2.14 0.00 1.46 3.41 -0.51 -0.68 113.62 115.14 3hfa n SER 416 Ca 0.02 -3.63 0.13 0.00 -0.26 0.00 0.00 58.87 55.12 3hfa n SER 416 Cb 0.22 -0.53 0.62 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.16 2.26 -1.76 7.33 0.00 -0.98 -4.81 120.51 121.39 3hfa n ALA 417 Ca 0.21 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hfa n ALA 417 Cb 0.76 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.74 2.90 -0.01 0.00 0.00 -1.26 -1.01 107.32 105.20 3hfa s GLY 418 Ca 0.20 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.26 3hfa s GLY 418 CO 0.43 1.89 -0.04 0.50 0.00 0.00 0.00 173.10 175.87 3hfa s ARG 419 N -2.58 0.42 -0.08 2.90 1.81 0.15 -4.90 118.95 116.67 3hfa s ARG 419 Ca 0.64 -0.14 0.01 0.00 -1.72 0.00 0.00 55.73 54.53 3hfa s ARG 419 Cb -0.40 -0.43 0.02 0.00 -0.45 0.00 0.00 34.95 33.69 3hfa s ARG 419 CO 0.50 0.06 -0.10 0.42 -0.68 0.00 0.00 175.30 175.50 3hfa s ILE 420 N 0.11 1.07 -0.06 1.52 1.01 -1.26 -0.79 121.20 122.79 3hfa s ILE 420 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3hfa s ILE 420 Cb -0.04 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3hfa s ILE 420 CO -0.00 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.49 3hfa s VAL 421 N 1.02 1.05 0.23 2.92 1.01 0.88 -0.42 120.40 127.09 3hfa s VAL 421 Ca -0.08 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3hfa s VAL 421 Cb -0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hfa s VAL 421 CO -0.00 0.34 0.16 -0.94 0.00 0.00 0.00 175.10 174.66 3hfa s SER 422 N 0.69 5.45 0.01 3.32 1.04 -0.57 -0.77 113.70 122.87 3hfa s SER 422 Ca -0.14 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.07 3hfa s SER 422 Cb -0.16 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 3hfa s SER 422 CO 0.03 -0.00 -0.07 -0.36 0.98 0.00 0.00 173.24 173.82 3hfa s PHE 423 N -2.02 0.59 0.50 5.02 0.08 -1.24 -1.25 117.98 119.66 3hfa s PHE 423 Ca 0.32 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.21 3hfa s PHE 423 Cb -0.08 -0.37 0.03 0.00 -0.57 0.00 0.00 43.02 42.03 3hfa s PHE 423 CO 0.24 -0.03 0.57 0.16 -0.10 0.00 0.00 175.22 176.06 3hfa s ASP 424 N -0.65 5.13 0.30 1.36 1.47 -0.07 -4.70 116.67 119.51 3hfa s ASP 424 Ca -0.02 -0.80 0.25 0.00 1.18 0.00 0.00 52.55 53.16 3hfa s ASP 424 Cb -0.05 -0.10 1.05 0.00 -0.34 0.00 0.00 42.92 43.47 3hfa s ASP 424 CO 0.00 -1.00 1.75 0.00 0.68 0.00 0.00 175.17 176.60 3hfa h ALA 425 N 0.59 1.00 -0.37 2.11 0.00 -1.92 -2.32 119.26 118.35 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 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hfa h ALA 425 CO 0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3hfa n ALA 426 N -1.82 2.44 -0.01 0.00 0.00 -1.26 -4.43 120.51 115.43 3hfa n ALA 426 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3hfa n ALA 426 Cb 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.43 0.34 3.77 0.00 0.00 -0.87 -4.57 105.19 105.29 3hfa n GLY 427 Ca 0.19 0.00 -0.40 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 -1.37 2.92 0.09 -0.02 0.00 -1.26 -4.73 107.32 102.97 3hfa s GLY 428 Ca 0.00 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.18 3hfa s GLY 428 CO 0.00 2.03 -0.11 0.66 0.00 0.00 0.00 173.10 175.68 3hfa s TRP 429 N -1.21 1.13 -0.05 1.90 1.48 -1.26 -0.89 118.94 120.04 3hfa s TRP 429 Ca 0.59 -0.59 -0.02 0.00 -1.06 0.00 0.00 56.10 55.02 3hfa s TRP 429 Cb -0.43 -0.62 0.04 0.00 -1.16 0.00 0.00 33.47 31.30 3hfa s TRP 429 CO 0.55 0.03 0.09 1.21 -4.06 0.00 0.00 176.95 174.77 3hfa s ASN 430 N -2.27 0.54 -0.37 -2.66 2.47 -0.38 -4.98 114.94 107.29 3hfa s ASN 430 Ca 0.04 0.16 -0.29 0.00 0.42 0.00 0.00 52.86 53.19 3hfa s ASN 430 Cb -0.05 0.03 0.02 0.00 -1.45 0.00 0.00 41.25 39.80 3hfa s ASN 430 CO 0.01 -0.20 1.10 -0.63 -3.72 0.00 0.00 177.10 173.66 3hfa s ILE 431 N 1.72 4.41 0.20 -5.21 1.01 -1.26 -1.51 121.20 120.56 3hfa s ILE 431 Ca -0.02 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 3hfa s ILE 431 Cb -0.12 -4.47 -0.09 0.00 0.01 0.00 0.00 42.46 37.78 3hfa s ILE 431 CO -0.04 -0.65 1.42 -0.70 0.00 0.00 0.00 174.94 174.97 3hfa s GLU 432 N 3.92 4.29 0.00 2.79 2.56 0.44 -4.93 118.70 127.77 3hfa s GLU 432 Ca 0.46 2.22 0.06 0.00 0.00 0.00 0.00 54.97 57.72 3hfa s GLU 432 Cb -0.11 -3.16 0.02 0.00 2.00 0.00 0.00 34.13 32.89 3hfa s GLU 432 CO 0.21 -0.42 0.59 0.39 -0.56 0.00 0.00 175.26 175.48 3hfa n GLU 433 N 2.92 1.16 -0.09 4.30 1.02 -1.26 -4.63 120.64 124.06 3hfa n GLU 433 Ca 0.08 -0.67 0.12 0.00 -0.02 0.00 0.00 57.16 56.67 3hfa n GLU 433 Cb 0.41 -1.04 0.15 0.00 -0.02 0.00 0.00 31.44 30.94 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 2.36 0.00 3.49 1.02 -1.26 -4.98 120.64 121.27 3hfa n GLU 434 Ca 0.03 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.10 3hfa n GLU 434 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.39 3.03 3.56 0.62 0.00 -1.26 -5.03 105.19 107.51 3hfa n GLY 435 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.70 0.03 0.18 1.61 -0.85 -1.26 -0.17 117.35 114.19 3hfa s TYR 436 Ca 0.00 -0.39 -0.23 0.00 -0.52 0.00 0.00 57.07 55.93 3hfa s TYR 436 Cb 0.00 0.35 0.05 0.00 0.38 0.00 0.00 41.96 42.74 3hfa s TYR 436 CO 0.00 -0.96 0.75 -1.14 -1.52 0.00 0.00 175.55 172.68 3hfa s GLN 437 N -3.92 1.40 -0.03 -3.49 2.00 -0.12 -4.95 119.66 110.55 3hfa s GLN 437 Ca 0.13 -0.68 -0.25 0.00 -2.00 0.00 0.00 55.36 52.56 3hfa s GLN 437 Cb -0.01 0.54 0.05 0.00 0.80 0.00 0.00 33.01 34.39 3hfa s GLN 437 CO 0.01 -0.63 0.54 0.00 -0.50 0.00 0.00 175.29 174.71 3hfa s ALA 438 N -3.65 -1.40 0.05 1.58 0.00 -1.26 -1.30 121.76 115.77 3hfa s ALA 438 Ca 0.07 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.98 3hfa s ALA 438 Cb -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3hfa s ALA 438 CO -0.02 -0.34 -0.07 0.54 0.00 0.00 0.00 175.76 175.86 3hfa s VAL 439 N -1.33 0.52 0.00 0.00 0.11 -0.39 -4.87 120.40 114.44 3hfa s VAL 439 Ca -0.11 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 3hfa s VAL 439 Cb -0.02 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3hfa s VAL 439 CO 0.07 -0.47 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 3hfa n GLY 440 N 1.25 1.10 0.33 6.54 0.00 -1.26 -1.24 105.19 111.91 3hfa n GLY 440 Ca -0.21 -2.24 0.22 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 -0.38 1.61 4.64 -1.11 -1.48 113.55 116.84 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 -1.01 2.49 0.33 -0.77 0.00 -1.13 -4.72 105.19 100.38 3hfa n GLY 442 Ca -0.03 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 2.40 0.69 0.09 1.61 4.64 -1.50 -1.73 113.55 119.75 3hfa h SER 443 Ca 0.00 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hfa h SER 443 Cb 0.75 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3hfa h SER 443 CO 0.00 0.50 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.34 3hfa h LEU 444 N 0.81 -0.11 -1.13 5.97 4.07 -1.85 -0.47 115.31 122.61 3hfa h LEU 444 Ca 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 3hfa h LEU 444 Cb -0.09 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3hfa h LEU 444 CO -0.05 -0.07 0.33 -0.26 -1.08 0.00 0.00 178.44 177.31 3hfa h PHE 445 N -0.13 0.93 -0.43 1.13 0.04 -1.78 -0.77 116.94 115.92 3hfa h PHE 445 Ca -0.01 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 3hfa h PHE 445 Cb 0.10 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 3hfa h PHE 445 CO -0.07 0.67 -0.10 0.00 -0.60 0.00 0.00 178.31 178.21 3hfa h ALA 446 N 1.42 0.60 -0.21 2.45 0.00 -1.09 -2.04 119.26 120.39 3hfa h ALA 446 Ca 0.23 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3hfa h ALA 446 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 446 CO -0.03 0.48 -0.53 0.87 0.00 0.00 0.00 179.25 180.04 3hfa h LYS 447 N 0.66 0.60 0.00 0.00 1.57 -0.68 0.10 116.57 118.83 3hfa h LYS 447 Ca 0.11 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3hfa h LYS 447 Cb 0.64 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3hfa h LYS 447 CO 0.04 0.98 -0.38 0.77 -0.57 0.00 0.00 179.45 180.28 3hfa h SER 448 N 0.47 0.00 -0.03 0.86 0.02 -1.12 0.65 113.55 114.40 3hfa h SER 448 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3hfa h SER 448 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3hfa h SER 448 CO 0.10 0.38 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.76 3hfa h SER 449 N 0.00 0.18 -0.29 3.07 0.87 -0.99 -3.24 113.55 113.15 3hfa h SER 449 Ca -0.00 -0.65 -0.03 0.00 -1.23 0.00 0.00 61.79 59.88 3hfa h SER 449 Cb 0.75 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 3hfa h SER 449 CO 0.05 0.80 0.10 0.24 -0.53 0.00 0.00 176.83 177.49 3hfa h MET 450 N -0.43 0.51 -0.93 2.24 2.07 -0.78 -1.37 114.93 116.24 3hfa h MET 450 Ca -0.01 -0.07 0.16 0.00 -2.07 0.00 0.00 59.70 57.71 3hfa h MET 450 Cb 0.79 -0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 30.35 3hfa h MET 450 CO 0.03 0.46 0.60 -0.22 1.07 0.00 0.00 176.91 178.84 3hfa h LYS 451 N 0.51 0.69 0.00 1.72 3.64 -0.90 0.31 116.57 122.53 3hfa h LYS 451 Ca 0.12 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 3hfa h LYS 451 Cb 0.17 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hfa h LYS 451 CO -0.01 0.45 -1.25 0.87 -2.27 0.00 0.00 179.45 177.25 3hfa h LYS 452 N 0.71 0.00 0.00 1.90 1.79 -1.34 -3.39 116.57 116.24 3hfa h LYS 452 Ca 0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 3hfa h LYS 452 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3hfa h LYS 452 CO -0.24 0.47 -1.54 1.28 -1.08 0.00 0.00 179.45 178.34 3hfa n LEU 453 N -3.05 0.41 0.26 2.94 4.77 -0.56 -4.53 117.00 117.23 3hfa n LEU 453 Ca -0.08 -0.14 0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3hfa n LEU 453 Cb 0.88 -0.01 0.68 0.00 -2.33 0.00 0.00 43.42 42.63 3hfa n LEU 453 CO 0.43 0.07 1.03 0.22 -1.33 0.00 0.00 177.39 177.81 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.64 -0.32 116.97 117.44 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 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3hfa h TYR 454 CO 0.00 0.06 0.00 0.66 -1.64 0.00 0.00 178.16 177.24 3hfa h SER 455 N 0.00 0.00 0.59 -2.11 4.64 -1.83 -1.39 113.55 113.45 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hfa h SER 455 CO 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 3hfa n GLN 456 N -2.92 0.37 -2.73 4.77 6.02 -0.13 -4.80 117.38 117.96 3hfa n GLN 456 Ca -0.02 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.46 3hfa n GLN 456 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.69 4.55 0.00 5.09 1.01 -0.53 -4.80 120.40 123.04 3hfa s VAL 457 Ca 0.23 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3hfa s VAL 457 Cb 0.20 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3hfa s VAL 457 CO 0.51 -0.49 0.00 0.35 0.00 0.00 0.00 175.10 175.47 3hfa n THR 458 N 5.91 0.00 -3.81 3.92 -2.24 -1.26 -4.87 114.28 111.93 3hfa n THR 458 Ca 0.09 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3hfa n THR 458 Cb 0.48 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.50 0.00 0.32 3.42 1.47 -1.26 -4.54 116.67 115.59 3hfa s ASP 459 Ca 0.00 -1.12 0.00 0.00 1.18 0.00 0.00 52.55 52.61 3hfa s ASP 459 Cb 0.00 0.84 0.54 0.00 -0.34 0.00 0.00 42.92 43.95 3hfa s ASP 459 CO 0.00 -1.66 1.99 1.23 0.68 0.00 0.00 175.17 177.41 3hfa h GLY 460 N 2.00 1.04 0.73 2.12 0.00 -1.95 0.54 103.07 107.56 3hfa h GLY 460 Ca -0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3hfa h GLY 460 CO 0.40 0.38 0.00 -1.80 0.00 0.00 0.00 176.54 175.52 3hfa h ASP 461 N 1.00 0.10 0.41 0.19 1.82 -1.99 0.11 116.42 118.06 3hfa h ASP 461 Ca 0.27 -0.30 -0.13 0.00 -0.39 0.00 0.00 57.03 56.48 3hfa h ASP 461 Cb -0.11 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 3hfa h ASP 461 CO -0.06 0.38 -0.54 0.77 -1.61 0.00 0.00 179.24 178.18 3hfa h SER 462 N -0.18 0.16 -0.38 2.28 4.64 -1.85 -1.79 113.55 116.44 3hfa h SER 462 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hfa h SER 462 Cb 0.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3hfa h SER 462 CO 0.00 0.67 0.24 1.23 -0.87 0.00 0.00 176.83 178.10 3hfa h GLY 463 N 1.49 0.54 1.00 -0.77 0.00 -0.68 -0.92 103.07 103.72 3hfa h GLY 463 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 463 CO 0.08 0.21 0.31 -2.00 0.00 0.00 0.00 176.54 175.14 3hfa h LEU 464 N 0.50 0.82 -0.39 3.11 5.85 -0.65 -1.41 115.31 123.13 3hfa h LEU 464 Ca 0.14 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hfa h LEU 464 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3hfa h LEU 464 CO -0.03 0.71 0.23 -0.09 -0.34 0.00 0.00 178.44 178.92 3hfa h ARG 465 N 0.87 0.54 -0.82 1.25 2.43 -1.02 -1.05 114.38 116.57 3hfa h ARG 465 Ca 0.22 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3hfa h ARG 465 Cb 0.10 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3hfa h ARG 465 CO -0.03 0.41 0.36 0.28 -1.51 0.00 0.00 179.97 179.49 3hfa h VAL 466 N 0.51 1.26 -0.33 0.20 2.07 -0.98 -0.50 116.25 118.48 3hfa h VAL 466 Ca 0.14 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3hfa h VAL 466 Cb 0.02 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hfa h VAL 466 CO -0.03 0.32 0.17 0.00 0.02 0.00 0.00 177.57 178.06 3hfa h ALA 467 N 1.22 0.43 -0.53 1.67 0.00 -0.90 0.35 119.26 121.50 3hfa h ALA 467 Ca 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 467 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 467 CO -0.03 -0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.47 3hfa h VAL 468 N 0.41 1.25 -0.22 0.00 2.07 -0.99 -1.77 116.25 117.00 3hfa h VAL 468 Ca 0.12 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 3hfa h VAL 468 Cb 0.09 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hfa h VAL 468 CO -0.02 0.38 -0.38 -0.08 0.02 0.00 0.00 177.57 177.50 3hfa h GLU 469 N 0.83 0.50 -0.56 1.57 4.81 -0.83 -0.33 114.58 120.57 3hfa h GLU 469 Ca 0.16 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3hfa h GLU 469 Cb 0.49 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3hfa h GLU 469 CO 0.02 0.80 0.23 0.00 -0.73 0.00 0.00 179.01 179.34 3hfa h ALA 470 N 1.18 0.72 -0.88 2.92 0.00 -0.59 0.09 119.26 122.70 3hfa h ALA 470 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hfa h ALA 470 Cb 0.85 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3hfa h ALA 470 CO 0.07 0.32 0.49 -0.07 0.00 0.00 0.00 179.25 180.07 3hfa h LEU 471 N 0.76 1.09 -0.30 0.00 4.07 -1.11 0.07 115.31 119.90 3hfa h LEU 471 Ca 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3hfa h LEU 471 Cb 0.18 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3hfa h LEU 471 CO -0.02 0.87 0.19 0.22 -1.08 0.00 0.00 178.44 178.63 3hfa h TYR 472 N 1.22 0.37 -0.46 1.13 3.20 -0.52 -0.27 116.97 121.64 3hfa h TYR 472 Ca 0.31 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 3hfa h TYR 472 Cb 0.01 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3hfa h TYR 472 CO 0.01 0.24 0.01 -0.44 -1.64 0.00 0.00 178.16 176.33 3hfa h ASP 473 N 0.40 0.73 -0.30 -2.11 3.32 -0.67 -0.41 116.42 117.38 3hfa h ASP 473 Ca 0.11 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hfa h ASP 473 Cb -0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3hfa h ASP 473 CO -0.02 0.79 0.20 0.00 -1.72 0.00 0.00 179.24 178.48 3hfa h ALA 474 N 1.29 0.38 -0.22 3.45 0.00 -0.55 -2.58 119.26 121.04 3hfa h ALA 474 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 474 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hfa h ALA 474 CO 0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 179.25 178.85 3hfa h ALA 475 N 1.10 1.13 -0.45 0.00 0.00 -0.62 0.20 119.26 120.61 3hfa h ALA 475 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hfa h ALA 475 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hfa h ALA 475 CO -0.02 0.55 0.30 0.22 0.00 0.00 0.00 179.25 180.29 3hfa h ASP 476 N 0.38 0.51 0.00 0.00 3.58 -0.83 -3.26 116.42 116.79 3hfa h ASP 476 Ca 0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3hfa h ASP 476 Cb 0.67 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3hfa h ASP 476 CO 0.05 0.37 -0.92 0.47 -2.88 0.00 0.00 179.24 176.33 3hfa n ASP 477 N -4.47 1.38 -4.00 2.28 8.00 -0.92 -4.93 116.55 113.89 3hfa n ASP 477 Ca 0.04 -0.42 -0.31 0.00 0.71 0.00 0.00 54.79 54.81 3hfa n ASP 477 Cb 0.06 1.21 -0.16 0.00 -0.02 0.00 0.00 41.12 42.21 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 -2.52 3.47 0.45 -2.24 2.15 0.65 -5.00 116.67 113.64 3hfa s ASP 478 Ca 0.01 -0.92 0.31 0.00 0.43 0.00 0.00 52.55 52.37 3hfa s ASP 478 Cb 0.07 -1.26 1.41 0.00 -0.30 0.00 0.00 42.92 42.85 3hfa s ASP 478 CO 0.43 -0.15 1.93 0.77 -0.17 0.00 0.00 175.17 177.98 3hfa h SER 479 N 7.96 0.00 0.05 -0.34 4.64 -1.85 -1.70 113.55 122.31 3hfa h SER 479 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 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 0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.42 3hfa n ALA 480 N -1.95 2.66 -2.79 5.18 0.00 -1.26 -4.76 120.51 117.58 3hfa n ALA 480 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 3hfa n ALA 480 Cb 0.20 -1.32 -0.14 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 -2.08 3.08 -0.05 0.00 2.01 -0.64 -0.42 115.64 117.54 3hfa s THR 481 Ca 0.40 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 3hfa s THR 481 Cb 0.21 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 3hfa s THR 481 CO 0.37 0.56 0.44 -0.83 -0.69 0.00 0.00 174.62 174.47 3hfa s GLY 482 N -0.17 2.45 0.74 4.40 0.00 -1.26 -4.51 107.32 108.97 3hfa s GLY 482 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 3hfa s GLY 482 CO 0.03 0.42 1.03 -0.32 0.00 0.00 0.00 173.10 174.26 3hfa s GLY 483 N -0.37 1.76 0.18 0.20 0.00 -1.26 -4.56 107.32 103.27 3hfa s GLY 483 Ca 0.24 -1.44 -0.33 0.00 0.00 0.00 0.00 44.72 43.20 3hfa s GLY 483 CO 0.12 -0.90 1.48 -1.05 0.00 0.00 0.00 173.10 172.76 3hfa n PRO 484 N -2.96 1.97 -3.47 2.90 -0.02 -1.26 -4.91 135.00 127.25 3hfa n PRO 484 Ca 0.13 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 3hfa n PRO 484 Cb 0.60 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.63 5.90 0.29 2.55 -1.08 -0.04 -4.93 116.67 120.00 3hfa s ASP 485 Ca 0.76 -1.97 0.13 0.00 -0.52 0.00 0.00 52.55 50.95 3hfa s ASP 485 Cb -0.70 -2.08 0.41 0.00 -1.46 0.00 0.00 42.92 39.09 3hfa s ASP 485 CO 0.43 -0.72 1.63 -0.07 0.52 0.00 0.00 175.17 176.95 3hfa h LEU 486 N 8.48 0.00 -0.08 -1.34 4.07 -1.92 0.24 115.31 124.75 3hfa h LEU 486 Ca -0.21 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 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 0.90 0.56 -0.02 0.58 -1.08 0.00 0.00 178.44 179.39 3hfa h VAL 487 N 0.00 1.29 0.00 1.22 2.07 -1.97 -3.23 116.25 115.63 3hfa h VAL 487 Ca -0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3hfa h VAL 487 Cb 1.08 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3hfa h VAL 487 CO 0.07 0.26 -0.57 0.03 0.02 0.00 0.00 177.57 177.38 3hfa h ARG 488 N -0.18 0.00 -3.53 1.57 3.08 -1.99 -3.48 114.38 109.85 3hfa h ARG 488 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 3hfa h ARG 488 Cb 0.42 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.54 3hfa h ARG 488 CO 0.01 0.00 -0.35 0.41 -1.07 0.00 0.00 179.97 178.97 3hfa n GLY 489 N 1.28 0.15 3.32 0.04 0.00 0.74 -5.05 105.19 105.67 3hfa n GLY 489 Ca 0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 2.71 0.23 -0.61 1.01 -0.63 -5.00 121.20 115.75 3hfa s ILE 490 Ca 0.15 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.06 3hfa s ILE 490 Cb -0.07 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3hfa s ILE 490 CO 0.35 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.43 3hfa s PHE 491 N 0.35 1.62 0.77 3.97 0.08 -1.26 -0.86 117.98 122.66 3hfa s PHE 491 Ca -0.14 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 55.93 3hfa s PHE 491 Cb -0.17 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3hfa s PHE 491 CO 0.07 0.06 0.83 -2.30 -0.10 0.00 0.00 175.22 173.79 3hfa n PRO 492 N -0.43 0.26 -4.04 0.24 -0.02 -1.26 -4.83 135.00 124.92 3hfa n PRO 492 Ca -0.06 0.15 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 3hfa n PRO 492 Cb 0.63 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.00 4.80 -0.01 3.45 -4.23 -0.68 -4.94 115.64 112.04 3hfa s THR 493 Ca 0.69 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 3hfa s THR 493 Cb -0.32 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.04 3hfa s THR 493 CO 0.55 -0.18 0.24 0.00 -0.54 0.00 0.00 174.62 174.69 3hfa s ALA 494 N -1.85 -0.60 -0.02 3.99 0.00 -1.26 -1.34 121.76 120.68 3hfa s ALA 494 Ca 0.33 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3hfa s ALA 494 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hfa s ALA 494 CO 0.26 -0.24 -0.19 0.08 0.00 0.00 0.00 175.76 175.67 3hfa s VAL 495 N -1.31 1.52 -0.08 0.00 1.01 0.65 -0.64 120.40 121.56 3hfa s VAL 495 Ca -0.14 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3hfa s VAL 495 Cb -0.06 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3hfa s VAL 495 CO 0.03 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 3hfa s ILE 496 N -0.34 2.87 -0.11 2.22 1.01 -0.45 -0.99 121.20 125.41 3hfa s ILE 496 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3hfa s ILE 496 Cb -0.08 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3hfa s ILE 496 CO 0.00 0.57 -0.13 -0.63 0.00 0.00 0.00 174.94 174.75 3hfa s ILE 497 N -0.29 1.32 0.00 2.92 1.01 -0.16 -0.93 121.20 125.07 3hfa s ILE 497 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3hfa s ILE 497 Cb -0.13 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3hfa s ILE 497 CO 0.03 0.41 0.00 -0.90 0.00 0.00 0.00 174.94 174.47 3hfa n ASP 498 N 4.39 0.52 0.26 3.58 5.68 -1.16 -1.26 116.55 128.57 3hfa n ASP 498 Ca -0.18 -0.13 0.15 0.00 -0.50 0.00 0.00 54.79 54.13 3hfa n ASP 498 Cb 0.51 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.35 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 1.67 -0.02 2.12 0.00 -1.95 0.51 119.26 122.58 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 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3hfa n ASP 500 N -3.91 0.97 0.00 0.00 8.00 -1.26 -5.03 116.55 115.31 3hfa n ASP 500 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3hfa n ASP 500 Cb 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.10 0.72 3.73 0.44 0.00 0.17 -4.99 105.19 106.36 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 -1.16 3.33 0.02 4.61 0.00 1.00 -2.99 121.76 126.56 3hfa s ALA 502 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3hfa s ALA 502 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3hfa s ALA 502 CO 0.00 -0.03 -0.05 0.14 0.00 0.00 0.00 175.76 175.82 3hfa s VAL 503 N 0.37 0.35 0.18 0.00 -7.23 -0.11 -4.97 120.40 109.00 3hfa s VAL 503 Ca 0.40 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 3hfa s VAL 503 Cb -0.20 -0.38 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 3hfa s VAL 503 CO 0.22 -0.16 1.33 -1.81 -0.31 0.00 0.00 175.10 174.37 3hfa s ASP 504 N -0.79 6.88 0.04 4.85 1.01 -1.26 -1.35 116.67 126.04 3hfa s ASP 504 Ca -0.05 2.39 -0.30 0.00 0.71 0.00 0.00 52.55 55.30 3hfa s ASP 504 Cb -0.06 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3hfa s ASP 504 CO -0.00 -0.56 1.01 -0.69 0.21 0.00 0.00 175.17 175.14 3hfa s VAL 505 N 0.35 4.63 0.29 -1.27 1.01 0.19 -4.90 120.40 120.69 3hfa s VAL 505 Ca 0.59 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 64.23 3hfa s VAL 505 Cb -0.37 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 31.65 3hfa s VAL 505 CO 0.36 0.19 1.51 -2.84 0.00 0.00 0.00 175.10 174.33 3hfa s PRO 506 N 0.75 4.19 0.30 2.72 0.02 -1.26 -4.61 135.00 137.09 3hfa s PRO 506 Ca 0.52 2.46 0.05 0.00 0.02 0.00 0.00 61.00 64.04 3hfa s PRO 506 Cb -0.23 -3.05 0.76 0.00 0.02 0.00 0.00 34.50 32.00 3hfa s PRO 506 CO 0.29 -0.52 1.69 1.49 -0.33 0.00 0.00 177.00 179.61 3hfa h GLU 507 N 4.64 0.36 -0.80 5.54 4.81 -1.94 -1.37 114.58 125.83 3hfa h GLU 507 Ca -0.47 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 3hfa h GLU 507 Cb 1.22 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 3hfa h GLU 507 CO 0.76 0.24 0.52 0.66 -0.73 0.00 0.00 179.01 180.47 3hfa h SER 508 N 0.37 0.73 0.04 1.04 4.64 -1.99 0.11 113.55 118.49 3hfa h SER 508 Ca 0.58 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.71 3hfa h SER 508 Cb 1.13 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3hfa h SER 508 CO -0.55 0.46 -0.71 -0.09 -0.87 0.00 0.00 176.83 175.07 3hfa h ARG 509 N 0.83 0.60 -0.38 4.77 2.43 -1.62 -2.10 114.38 118.90 3hfa h ARG 509 Ca 0.35 -0.47 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 3hfa h ARG 509 Cb 0.30 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3hfa h ARG 509 CO -0.13 1.09 -0.33 0.82 -1.51 0.00 0.00 179.97 179.91 3hfa h ILE 510 N 0.42 1.28 -0.82 1.20 2.04 -1.21 -1.98 117.51 118.45 3hfa h ILE 510 Ca -0.03 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 3hfa h ILE 510 Cb 1.30 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3hfa h ILE 510 CO 0.13 0.49 0.45 0.00 0.00 0.00 0.00 178.15 179.23 3hfa h ALA 511 N 0.92 1.05 -0.31 1.87 0.00 -0.72 0.52 119.26 122.58 3hfa h ALA 511 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 511 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hfa h ALA 511 CO 0.08 0.56 0.12 1.49 0.00 0.00 0.00 179.25 181.50 3hfa h GLU 512 N 1.14 0.47 -0.50 0.00 4.81 -1.23 -0.87 114.58 118.40 3hfa h GLU 512 Ca 0.29 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3hfa h GLU 512 Cb 0.03 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3hfa h GLU 512 CO -0.05 0.48 0.27 -0.07 -0.73 0.00 0.00 179.01 178.91 3hfa h LEU 513 N 0.36 0.40 -0.65 1.64 4.07 -0.92 -1.66 115.31 118.54 3hfa h LEU 513 Ca 0.10 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 513 Cb 0.19 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 3hfa h LEU 513 CO -0.01 0.28 0.42 0.00 -1.08 0.00 0.00 178.44 178.06 3hfa h ALA 514 N 1.25 0.82 -0.70 1.53 0.00 -0.59 -1.00 119.26 120.56 3hfa h ALA 514 Ca 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 514 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hfa h ALA 514 CO -0.13 0.26 0.19 0.00 0.00 0.00 0.00 179.25 179.57 3hfa h ARG 515 N 0.88 1.11 -0.28 0.00 3.08 -0.89 -0.67 114.38 117.61 3hfa h ARG 515 Ca 0.24 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hfa h ARG 515 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3hfa h ARG 515 CO -0.05 0.96 0.09 0.00 -1.07 0.00 0.00 179.97 179.91 3hfa h ALA 516 N 1.14 0.37 -0.40 0.04 0.00 -0.92 0.59 119.26 120.07 3hfa h ALA 516 Ca 0.22 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 516 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 516 CO -0.00 -0.01 0.21 0.82 0.00 0.00 0.00 179.25 180.27 3hfa h ILE 517 N 0.29 1.00 -0.05 0.00 2.04 -0.97 0.94 117.51 120.76 3hfa h ILE 517 Ca 0.09 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hfa h ILE 517 Cb 0.23 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3hfa h ILE 517 CO -0.00 0.08 0.03 0.40 0.00 0.00 0.00 178.15 178.65 3hfa h ILE 518 N 0.43 1.07 -0.74 -0.67 2.04 -0.92 -2.15 117.51 116.57 3hfa h ILE 518 Ca 0.17 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3hfa h ILE 518 Cb 0.06 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3hfa h ILE 518 CO -0.11 0.05 0.46 -0.33 0.00 0.00 0.00 178.15 178.23 3hfa h GLU 519 N -0.00 0.88 -0.61 2.37 5.08 -0.68 -1.99 114.58 119.63 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 0.07 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3hfa h GLU 519 CO -0.00 0.58 0.40 1.03 -1.00 0.00 0.00 179.01 180.02 3hfa h SER 520 N 0.90 0.54 0.45 1.42 0.87 -0.50 -2.38 113.55 114.86 3hfa h SER 520 Ca 0.30 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3hfa h SER 520 Cb 0.03 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hfa h SER 520 CO -0.11 0.36 -0.65 0.54 -0.53 0.00 0.00 176.83 176.44 3hfa n ARG 521 N -4.47 0.06 0.00 2.24 1.74 -0.84 -5.09 116.66 110.30 3hfa n ARG 521 Ca 0.08 0.01 0.16 0.00 -0.77 0.00 0.00 57.85 57.33 3hfa n ARG 521 Cb 0.21 -1.53 0.87 0.00 -1.02 0.00 0.00 32.46 30.99 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54