#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 0.44 -0.08 12.58 2.01 -1.26 -0.44 115.64 128.89 3hfa s THR 302 Ca 0.00 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.86 3hfa s THR 302 Cb 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.10 3hfa s THR 302 CO 0.00 0.16 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.34 3hfa s ILE 303 N 0.36 1.20 0.17 1.82 1.01 -0.35 -2.31 121.20 123.10 3hfa s ILE 303 Ca -0.04 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.22 3hfa s ILE 303 Cb -0.08 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3hfa s ILE 303 CO -0.00 0.37 -0.23 0.68 0.00 0.00 0.00 174.94 175.76 3hfa s VAL 304 N 0.82 2.43 -0.05 2.92 -7.23 0.09 -0.98 120.40 118.39 3hfa s VAL 304 Ca -0.11 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3hfa s VAL 304 Cb -0.15 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.66 3hfa s VAL 304 CO 0.02 -0.04 0.18 0.00 -0.31 0.00 0.00 175.10 174.94 3hfa s ALA 305 N -1.47 -0.43 -0.02 1.32 0.00 -0.51 -0.88 121.76 119.77 3hfa s ALA 305 Ca 0.19 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 3hfa s ALA 305 Cb -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.85 3hfa s ALA 305 CO 0.09 -0.11 0.33 -0.48 0.00 0.00 0.00 175.76 175.59 3hfa s LEU 306 N -0.23 0.77 0.03 0.00 0.05 -0.39 -1.04 118.68 117.87 3hfa s LEU 306 Ca -0.03 0.15 -0.22 0.00 0.05 0.00 0.00 54.13 54.08 3hfa s LEU 306 Cb -0.03 1.32 -0.06 0.00 -2.05 0.00 0.00 46.19 45.38 3hfa s LEU 306 CO 0.01 -0.43 0.65 -0.54 -0.55 0.00 0.00 176.35 175.48 3hfa s LYS 307 N -1.23 4.36 0.32 1.48 1.02 0.43 -1.05 119.74 125.08 3hfa s LYS 307 Ca -0.13 0.85 0.06 0.00 0.02 0.00 0.00 55.97 56.77 3hfa s LYS 307 Cb -0.05 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 3hfa s LYS 307 CO 0.04 0.39 -0.01 1.52 -0.92 0.00 0.00 175.35 176.38 3hfa s TYR 308 N -0.33 2.07 -0.17 3.18 -0.85 -0.60 -4.94 117.35 115.72 3hfa s TYR 308 Ca 0.33 -0.77 -0.29 0.00 -0.52 0.00 0.00 57.07 55.82 3hfa s TYR 308 Cb -0.19 -1.30 -0.06 0.00 0.38 0.00 0.00 41.96 40.79 3hfa s TYR 308 CO 0.19 0.23 2.17 -2.30 -1.52 0.00 0.00 175.55 174.32 3hfa n PRO 309 N -0.69 2.14 0.00 -3.49 -0.02 -1.26 -1.56 135.00 130.11 3hfa n PRO 309 Ca -0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hfa n PRO 309 Cb 0.65 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 3hfa n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfa n GLY 310 N 5.52 0.25 0.00 -1.23 0.00 0.17 -4.71 105.19 105.19 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 -1.89 1.38 3.11 -0.02 0.00 -0.60 -4.16 105.19 103.01 3hfa n GLY 311 Ca 0.00 -0.66 -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 -2.31 0.08 0.02 1.61 0.11 -0.36 -1.56 120.40 117.99 3hfa s VAL 312 Ca 0.00 -0.63 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 3hfa s VAL 312 Cb 0.00 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3hfa s VAL 312 CO 0.00 -0.34 -0.17 0.54 -3.33 0.00 0.00 175.10 171.80 3hfa s VAL 313 N -1.27 1.35 -0.02 2.04 0.11 -0.21 -0.96 120.40 121.42 3hfa s VAL 313 Ca -0.14 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 3hfa s VAL 313 Cb -0.07 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 3hfa s VAL 313 CO 0.02 0.22 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.61 3hfa s MET 314 N -0.83 0.83 0.02 1.54 1.75 -0.08 -1.26 119.30 121.27 3hfa s MET 314 Ca 0.05 -0.24 -0.00 0.00 -1.25 0.00 0.00 55.69 54.25 3hfa s MET 314 Cb -0.07 -0.79 -0.02 0.00 2.84 0.00 0.00 34.83 36.79 3hfa s MET 314 CO 0.01 0.08 -0.02 0.00 -0.65 0.00 0.00 175.02 174.43 3hfa s ALA 315 N 0.27 0.09 0.03 4.11 0.00 -0.06 -0.41 121.76 125.79 3hfa s ALA 315 Ca -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 3hfa s ALA 315 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 315 CO 0.00 -0.14 -0.03 0.20 0.00 0.00 0.00 175.76 175.79 3hfa s GLY 316 N -1.23 0.34 0.47 0.00 0.00 -0.40 -0.73 107.32 105.77 3hfa s GLY 316 Ca -0.13 -0.81 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 3hfa s GLY 316 CO -0.01 -0.89 0.63 2.09 0.00 0.00 0.00 173.10 174.93 3hfa n ASP 317 N 1.10 0.12 0.00 1.64 5.75 -0.98 -1.77 116.55 122.42 3hfa n ASP 317 Ca -0.21 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 3hfa n ASP 317 Cb 0.57 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 -2.33 0.76 -3.44 0.11 5.12 -1.26 -4.50 116.66 111.12 3hfa n ARG 318 Ca 0.08 -0.85 -0.36 0.00 -1.93 0.00 0.00 57.85 54.79 3hfa n ARG 318 Cb 0.28 -0.91 -0.06 0.00 -1.16 0.00 0.00 32.46 30.61 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 -0.40 3.92 0.04 5.56 3.52 -1.26 -1.48 118.95 128.85 3hfa s ARG 319 Ca 0.00 0.40 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 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 0.55 -0.15 -1.54 -0.81 0.00 0.00 175.30 173.35 3hfa s SER 320 N -1.59 1.78 0.08 -2.12 1.04 -0.62 -4.68 113.70 107.59 3hfa s SER 320 Ca 0.33 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.38 3hfa s SER 320 Cb -0.15 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3hfa s SER 320 CO 0.18 0.06 -0.18 0.42 0.98 0.00 0.00 173.24 174.70 3hfa s THR 321 N -0.80 1.43 -0.44 2.02 -4.23 -1.26 -0.32 115.64 112.03 3hfa s THR 321 Ca 0.03 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3hfa s THR 321 Cb -0.08 -1.31 0.12 0.00 1.34 0.00 0.00 72.50 72.57 3hfa s THR 321 CO 0.01 -0.10 0.19 -1.58 -0.54 0.00 0.00 174.62 172.60 3hfa s GLN 322 N -1.72 1.86 7.85 3.99 0.74 0.22 -4.84 119.66 127.76 3hfa s GLN 322 Ca 0.03 -2.16 0.00 0.00 0.05 0.00 0.00 55.36 53.28 3hfa s GLN 322 Cb -0.10 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3hfa s GLN 322 CO 0.03 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 3hfa n GLY 323 N 3.91 3.40 0.12 2.59 0.00 -1.26 -2.05 105.19 111.90 3hfa n GLY 323 Ca 0.04 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3hfa n GLY 323 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hfa h ASN 324 N 0.00 0.00 -3.43 1.61 2.35 -2.02 -3.47 115.58 110.62 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 0.02 0.00 0.05 0.00 0.00 38.32 38.39 3hfa h ASN 324 CO 0.00 0.26 0.57 -0.04 -1.65 0.00 0.00 177.43 176.57 3hfa s MET 325 N -3.14 4.47 -0.24 0.81 -1.94 -0.87 -4.98 119.30 113.40 3hfa s MET 325 Ca 0.00 1.89 -0.29 0.00 -1.71 0.00 0.00 55.69 55.58 3hfa s MET 325 Cb 0.08 -3.24 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 3hfa s MET 325 CO 0.78 -0.13 1.32 0.42 -0.01 0.00 0.00 175.02 177.40 3hfa s ILE 326 N 0.09 4.14 -0.94 2.53 1.01 -1.26 -0.61 121.20 126.16 3hfa s ILE 326 Ca 0.54 1.33 0.14 0.00 0.00 0.00 0.00 60.65 62.66 3hfa s ILE 326 Cb -0.33 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3hfa s ILE 326 CO 0.36 -0.32 0.68 -1.54 0.00 0.00 0.00 174.94 174.12 3hfa n SER 327 N 7.31 1.00 -3.58 3.58 3.41 0.56 -4.91 113.62 121.00 3hfa n SER 327 Ca 0.15 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.62 3hfa n SER 327 Cb 0.46 0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 65.15 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 -2.14 -0.39 0.00 5.00 0.00 -1.01 -4.90 107.32 103.88 3hfa s GLY 328 Ca 0.08 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.70 3hfa s GLY 328 CO 0.51 1.25 0.25 0.54 0.00 0.00 0.00 173.10 175.65 3hfa n ARG 329 N 1.33 0.81 -0.47 2.90 1.74 -1.25 -1.59 116.66 120.13 3hfa n ARG 329 Ca -0.14 -0.25 0.03 0.00 -0.77 0.00 0.00 57.85 56.72 3hfa n ARG 329 Cb 0.57 -0.71 0.04 0.00 -1.02 0.00 0.00 32.46 31.34 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 0.62 -4.74 0.55 5.68 -1.00 -4.66 116.55 112.81 3hfa n ASP 330 Ca 0.00 -2.28 -0.42 0.00 -0.50 0.00 0.00 54.79 51.59 3hfa n ASP 330 Cb 0.06 -0.26 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 3hfa n ASP 330 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hfa n VAL 331 N -0.31 0.93 -3.79 2.12 0.31 -0.55 -4.98 118.33 112.05 3hfa n VAL 331 Ca 0.04 -0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 3hfa n VAL 331 Cb 0.71 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 3hfa n VAL 331 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hfa s ARG 332 N -0.36 3.85 0.00 5.55 0.52 -1.26 -4.23 118.95 123.02 3hfa s ARG 332 Ca 0.65 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.52 3hfa s ARG 332 Cb -0.50 -3.38 -0.00 0.00 0.52 0.00 0.00 34.95 31.59 3hfa s ARG 332 CO 0.47 -0.02 0.42 1.63 0.02 0.00 0.00 175.30 177.81 3hfa n LYS 333 N 4.47 2.48 -3.98 3.54 5.02 -1.26 -4.94 118.16 123.48 3hfa n LYS 333 Ca -0.16 -0.40 -0.34 0.00 -2.02 0.00 0.00 58.31 55.39 3hfa n LYS 333 Cb 0.52 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.83 2.81 -0.05 -0.18 1.01 -1.26 -2.49 120.40 119.40 3hfa s VAL 334 Ca 0.03 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3hfa s VAL 334 Cb 0.03 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3hfa s VAL 334 CO 0.10 0.31 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 3hfa s TYR 335 N 1.35 2.52 -0.15 5.22 2.02 0.17 -4.96 117.35 123.51 3hfa s TYR 335 Ca 0.02 -0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 3hfa s TYR 335 Cb -0.15 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3hfa s TYR 335 CO -0.06 -0.04 1.20 0.42 -1.57 0.00 0.00 175.55 175.50 3hfa s ILE 336 N -0.42 4.38 -0.09 2.71 1.01 -1.26 -0.22 121.20 127.30 3hfa s ILE 336 Ca 0.04 1.67 0.17 0.00 0.00 0.00 0.00 60.65 62.53 3hfa s ILE 336 Cb -0.12 -4.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 3hfa s ILE 336 CO 0.02 -0.11 0.24 0.35 0.00 0.00 0.00 174.94 175.44 3hfa n THR 337 N 5.17 0.51 -3.31 2.92 -2.24 -0.50 -4.94 114.28 111.89 3hfa n THR 337 Ca 0.13 -0.54 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 3hfa n THR 337 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.34 -0.54 0.21 3.42 5.75 -1.17 -4.39 116.55 117.48 3hfa n ASP 338 Ca -0.14 -1.43 0.17 0.00 -0.01 0.00 0.00 54.79 53.38 3hfa n ASP 338 Cb 0.72 0.92 0.84 0.00 -1.03 0.00 0.00 41.12 42.57 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 0.51 0.00 0.00 -1.12 3.32 -1.95 -2.99 116.42 114.19 3hfa h ASP 339 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hfa h ASP 339 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3hfa h ASP 339 CO 0.11 0.00 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.20 3hfa n TYR 340 N -3.77 0.00 -3.98 4.55 4.01 -1.26 0.07 117.16 116.79 3hfa n TYR 340 Ca 0.01 -0.44 -0.09 0.00 -0.16 0.00 0.00 57.90 57.23 3hfa n TYR 340 Cb 0.32 -0.08 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.21 0.12 0.02 -0.72 -4.23 -1.13 -1.11 115.64 107.39 3hfa s THR 341 Ca 0.12 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3hfa s THR 341 Cb 0.11 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 3hfa s THR 341 CO 0.01 -0.56 -0.05 0.00 -0.54 0.00 0.00 174.62 173.48 3hfa s ALA 342 N -1.91 0.32 -0.09 3.99 0.00 0.74 -1.41 121.76 123.39 3hfa s ALA 342 Ca -0.11 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3hfa s ALA 342 Cb -0.06 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3hfa s ALA 342 CO -0.02 -0.05 -0.18 0.99 0.00 0.00 0.00 175.76 176.49 3hfa s THR 343 N -1.08 1.62 -0.09 0.00 2.01 0.69 -1.13 115.64 117.66 3hfa s THR 343 Ca -0.09 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.17 3hfa s THR 343 Cb -0.08 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3hfa s THR 343 CO -0.00 0.46 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.39 3hfa s GLY 344 N 0.54 1.46 -0.06 4.40 0.00 -0.60 -0.66 107.32 112.41 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 -0.46 -0.10 -0.42 0.00 0.00 0.00 173.10 172.18 3hfa s ILE 345 N -0.05 0.96 -0.01 0.90 1.01 -1.04 0.40 121.20 123.37 3hfa s ILE 345 Ca -0.04 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3hfa s ILE 345 Cb -0.14 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3hfa s ILE 345 CO 0.04 0.32 -0.03 0.00 0.00 0.00 0.00 174.94 175.27 3hfa s ALA 346 N 0.78 3.16 0.00 9.38 0.00 -0.75 -4.95 121.76 129.39 3hfa s ALA 346 Ca -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3hfa s ALA 346 Cb -0.15 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3hfa s ALA 346 CO 0.02 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3hfa n GLY 347 N 1.61 0.45 3.71 0.00 0.00 -1.26 -0.78 105.19 108.92 3hfa n GLY 347 Ca -0.16 -2.21 -0.56 0.00 0.00 0.00 0.00 46.02 43.10 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 0.04 0.35 -0.04 2.61 -1.04 -0.23 -4.84 114.28 111.14 3hfa n THR 348 Ca 0.00 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 3hfa n THR 348 Cb 0.00 -1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 67.16 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 7.56 -0.12 -0.78 2.41 0.00 -1.96 -0.28 119.26 126.09 3hfa h ALA 349 Ca -0.47 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.59 3hfa h ALA 349 Cb 1.31 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 3hfa h ALA 349 CO 0.96 -0.65 0.44 0.00 0.00 0.00 0.00 179.25 180.00 3hfa h ALA 350 N 0.81 1.08 -0.30 0.00 0.00 -2.00 -1.57 119.26 117.28 3hfa h ALA 350 Ca 0.13 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 350 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hfa h ALA 350 CO -0.35 0.10 -0.51 0.28 0.00 0.00 0.00 179.25 178.76 3hfa h VAL 351 N 0.77 1.28 -0.11 0.00 2.07 -1.78 -2.90 116.25 115.59 3hfa h VAL 351 Ca 0.36 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3hfa h VAL 351 Cb 0.29 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3hfa h VAL 351 CO -0.22 0.55 0.06 0.00 0.02 0.00 0.00 177.57 177.98 3hfa h ALA 352 N 0.75 0.13 -0.20 1.67 0.00 -0.43 -0.77 119.26 120.40 3hfa h ALA 352 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 352 Cb 1.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3hfa h ALA 352 CO 0.11 -0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.14 3hfa h VAL 353 N 0.12 1.19 -0.24 0.00 2.07 -1.34 -1.54 116.25 116.51 3hfa h VAL 353 Ca 0.04 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3hfa h VAL 353 Cb 0.00 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hfa h VAL 353 CO -0.02 0.26 -0.19 -0.33 0.02 0.00 0.00 177.57 177.31 3hfa h GLU 354 N 0.31 0.55 -0.32 1.57 5.08 -1.27 -1.94 114.58 118.56 3hfa h GLU 354 Ca 0.06 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hfa h GLU 354 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3hfa h GLU 354 CO 0.02 0.85 0.07 0.74 -1.00 0.00 0.00 179.01 179.69 3hfa h PHE 355 N 0.25 0.11 -0.39 4.33 0.04 -0.70 -0.68 116.94 119.90 3hfa h PHE 355 Ca 0.04 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3hfa h PHE 355 Cb 0.72 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3hfa h PHE 355 CO 0.07 0.03 -0.16 0.00 -0.60 0.00 0.00 178.31 177.65 3hfa h ALA 356 N 1.23 0.55 -0.05 2.45 0.00 -1.23 -1.79 119.26 120.43 3hfa h ALA 356 Ca 0.15 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3hfa h ALA 356 Cb 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 356 CO -0.19 0.47 -0.76 -0.09 0.00 0.00 0.00 179.25 178.68 3hfa h ARG 357 N 0.61 0.60 -0.03 0.00 2.43 -1.28 -2.96 114.38 113.75 3hfa h ARG 357 Ca 0.09 -0.58 -0.15 0.00 -0.81 0.00 0.00 59.98 58.53 3hfa h ARG 357 Cb 0.70 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3hfa h ARG 357 CO 0.05 1.20 -0.67 1.25 -1.51 0.00 0.00 179.97 180.29 3hfa h LEU 358 N 0.22 0.15 -0.18 3.80 5.85 -1.17 -2.80 115.31 121.17 3hfa h LEU 358 Ca -0.08 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 3hfa h LEU 358 Cb 1.43 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hfa h LEU 358 CO 0.15 0.77 -0.44 0.22 -0.34 0.00 0.00 178.44 178.81 3hfa h TYR 359 N 0.09 0.79 0.00 1.25 3.20 -1.40 -0.05 116.97 120.85 3hfa h TYR 359 Ca -0.01 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 3hfa h TYR 359 Cb 1.19 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3hfa h TYR 359 CO 0.01 1.07 -0.25 0.00 -1.64 0.00 0.00 178.16 177.36 3hfa h ALA 360 N 0.58 1.59 0.01 1.82 0.00 -1.53 -1.44 119.26 120.28 3hfa h ALA 360 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3hfa h ALA 360 Cb 1.05 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hfa h ALA 360 CO 0.10 0.31 -0.61 0.28 0.00 0.00 0.00 179.25 179.32 3hfa h VAL 361 N 0.00 1.43 -0.79 0.00 2.07 -1.32 -3.03 116.25 114.61 3hfa h VAL 361 Ca -0.00 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3hfa h VAL 361 Cb 0.44 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 3hfa h VAL 361 CO 0.03 0.61 0.43 -0.08 0.02 0.00 0.00 177.57 178.58 3hfa h GLU 362 N -0.12 1.10 -0.23 1.57 4.81 -0.71 0.87 114.58 121.87 3hfa h GLU 362 Ca -0.08 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3hfa h GLU 362 Cb 1.33 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3hfa h GLU 362 CO 0.12 0.81 0.14 -0.07 -0.73 0.00 0.00 179.01 179.29 3hfa h LEU 363 N 1.09 0.28 -0.55 1.64 4.07 -1.34 -1.98 115.31 118.51 3hfa h LEU 363 Ca 0.28 -0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 363 Cb 0.03 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 3hfa h LEU 363 CO -0.04 0.24 -0.70 -0.08 -1.08 0.00 0.00 178.44 176.77 3hfa h GLU 364 N 0.29 0.13 -0.36 1.13 4.81 -1.39 -2.54 114.58 116.65 3hfa h GLU 364 Ca 0.08 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3hfa h GLU 364 Cb 0.01 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3hfa h GLU 364 CO -0.02 0.78 0.11 1.25 -0.73 0.00 0.00 179.01 180.40 3hfa h HIS 365 N 0.08 0.20 -0.32 0.92 2.76 -0.60 -0.51 115.15 117.68 3hfa h HIS 365 Ca -0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.25 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 3hfa h HIS 365 CO 0.01 0.08 0.13 -0.92 -1.30 0.00 0.00 177.93 175.93 3hfa h TYR 366 N 0.26 0.49 -0.61 5.26 3.20 -1.20 -1.31 116.97 123.06 3hfa h TYR 366 Ca 0.16 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3hfa h TYR 366 Cb 0.15 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3hfa h TYR 366 CO -0.15 0.46 0.34 1.49 -1.64 0.00 0.00 178.16 178.66 3hfa h GLU 367 N 0.38 0.63 -0.31 1.82 4.81 -1.10 0.14 114.58 120.94 3hfa h GLU 367 Ca 0.11 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 3hfa h GLU 367 Cb 0.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hfa h GLU 367 CO -0.01 0.42 -0.39 0.87 -0.73 0.00 0.00 179.01 179.17 3hfa h LYS 368 N 0.65 0.75 -0.31 1.92 1.57 -0.92 0.24 116.57 120.47 3hfa h LYS 368 Ca 0.27 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3hfa h LYS 368 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hfa h LYS 368 CO -0.16 1.01 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.36 3hfa h LEU 369 N 0.61 0.81 -0.38 2.94 3.38 -0.65 -3.34 115.31 118.69 3hfa h LEU 369 Ca 0.05 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hfa h LEU 369 Cb 0.94 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hfa h LEU 369 CO 0.09 1.11 -0.58 -0.62 0.09 0.00 0.00 178.44 178.53 3hfa n GLU 370 N -4.22 1.71 -0.37 1.13 -0.58 0.44 -4.97 120.64 113.78 3hfa n GLU 370 Ca -0.03 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 3hfa n GLU 370 Cb 0.49 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 1.29 1.92 3.04 0.62 0.00 0.85 -4.99 105.19 107.92 3hfa n GLY 371 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -3.25 0.09 0.56 1.61 0.11 -1.19 -4.98 120.40 113.35 3hfa s VAL 372 Ca 0.00 -0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 58.12 3hfa s VAL 372 Cb 0.00 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 3hfa s VAL 372 CO 0.00 -0.41 1.08 -2.84 -3.33 0.00 0.00 175.10 169.60 3hfa s PRO 373 N -1.33 3.40 0.51 1.54 0.02 -1.26 -3.99 135.00 133.89 3hfa s PRO 373 Ca -0.14 1.39 -0.21 0.00 0.02 0.00 0.00 61.00 62.07 3hfa s PRO 373 Cb -0.08 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3hfa s PRO 373 CO 0.00 -0.77 0.81 1.28 -0.33 0.00 0.00 177.00 177.99 3hfa n LEU 374 N -1.56 2.10 -4.64 -5.54 4.32 -1.26 -4.99 117.00 105.43 3hfa n LEU 374 Ca 0.10 0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 56.66 3hfa n LEU 374 Cb 0.52 -1.29 0.18 0.00 -1.62 0.00 0.00 43.42 41.21 3hfa n LEU 374 CO 0.44 -2.19 0.63 0.42 -1.22 0.00 0.00 177.39 175.46 3hfa s THR 375 N -1.49 2.35 0.21 -5.08 -4.23 -1.26 -4.79 115.64 101.34 3hfa s THR 375 Ca 0.68 0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 3hfa s THR 375 Cb -0.49 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.14 3hfa s THR 375 CO 0.53 -0.15 1.81 0.15 -0.54 0.00 0.00 174.62 176.43 3hfa h PHE 376 N -1.93 1.08 -0.64 3.99 3.57 -1.98 -1.25 116.94 119.78 3hfa h PHE 376 Ca -0.51 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.05 3hfa h PHE 376 Cb 1.29 -0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 3hfa h PHE 376 CO 0.40 0.78 0.24 0.00 -2.23 0.00 0.00 178.31 177.50 3hfa h ALA 377 N 1.20 0.83 -0.79 2.41 0.00 -2.00 -0.61 119.26 120.30 3hfa h ALA 377 Ca 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3hfa h ALA 377 Cb 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 377 CO -0.04 -0.20 0.47 0.78 0.00 0.00 0.00 179.25 180.26 3hfa h GLY 378 N 0.41 1.16 0.87 0.00 0.00 -1.67 -0.59 103.07 103.25 3hfa h GLY 378 Ca 0.33 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3hfa h GLY 378 CO -0.33 0.48 0.40 0.50 0.00 0.00 0.00 176.54 177.58 3hfa h LYS 379 N 1.09 0.76 0.02 4.80 1.57 -0.32 -1.24 116.57 123.25 3hfa h LYS 379 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3hfa h LYS 379 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3hfa h LYS 379 CO -0.05 0.50 -0.03 0.82 -0.57 0.00 0.00 179.45 180.12 3hfa h ILE 380 N 0.78 0.92 -0.55 1.86 2.04 -0.68 -2.44 117.51 119.44 3hfa h ILE 380 Ca 0.26 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.15 3hfa h ILE 380 Cb 0.02 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3hfa h ILE 380 CO -0.10 0.00 0.32 -1.13 0.00 0.00 0.00 178.15 177.23 3hfa h ASN 381 N -0.07 0.50 -0.66 1.72 -1.24 -0.70 -0.58 115.58 114.56 3hfa h ASN 381 Ca 0.01 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 3hfa h ASN 381 Cb 0.08 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 3hfa h ASN 381 CO -0.02 0.35 0.31 0.03 -1.29 0.00 0.00 177.43 176.81 3hfa h ARG 382 N 0.63 0.95 -0.69 6.67 2.47 -1.13 -0.14 114.38 123.13 3hfa h ARG 382 Ca 0.23 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 3hfa h ARG 382 Cb 0.06 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 3hfa h ARG 382 CO -0.12 0.76 0.34 1.25 0.56 0.00 0.00 179.97 182.77 3hfa h LEU 383 N 0.91 0.89 -0.50 3.04 5.85 -0.94 -1.24 115.31 123.31 3hfa h LEU 383 Ca 0.22 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3hfa h LEU 383 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3hfa h LEU 383 CO -0.03 0.76 0.14 0.00 -0.34 0.00 0.00 178.44 178.97 3hfa h ALA 384 N 1.16 0.66 -0.53 1.25 0.00 -0.61 -0.82 119.26 120.37 3hfa h ALA 384 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 384 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hfa h ALA 384 CO -0.03 0.34 0.18 0.82 0.00 0.00 0.00 179.25 180.55 3hfa h ILE 385 N 0.68 1.23 -0.66 0.00 2.04 -0.89 0.09 117.51 120.00 3hfa h ILE 385 Ca 0.16 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.31 3hfa h ILE 385 Cb 0.31 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3hfa h ILE 385 CO -0.00 0.28 0.40 -0.03 0.00 0.00 0.00 178.15 178.80 3hfa h MET 386 N 0.72 0.75 -0.43 2.37 4.05 -0.85 -0.60 114.93 120.95 3hfa h MET 386 Ca 0.17 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 3hfa h MET 386 Cb 0.25 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3hfa h MET 386 CO -0.01 0.50 0.18 0.28 0.23 0.00 0.00 176.91 178.09 3hfa h VAL 387 N 0.77 1.19 -0.86 -5.77 2.07 -0.70 -2.71 116.25 110.24 3hfa h VAL 387 Ca 0.28 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hfa h VAL 387 Cb 0.07 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3hfa h VAL 387 CO -0.13 0.21 0.54 -0.09 0.02 0.00 0.00 177.57 178.13 3hfa h ARG 388 N 0.55 1.16 -0.35 1.57 2.43 -0.62 -0.83 114.38 118.28 3hfa h ARG 388 Ca 0.14 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3hfa h ARG 388 Cb 0.16 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3hfa h ARG 388 CO -0.01 0.79 0.45 0.78 -1.51 0.00 0.00 179.97 180.47 3hfa h GLY 389 N 1.19 0.00 -1.56 2.80 0.00 -0.78 -0.92 103.07 103.81 3hfa h GLY 389 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3hfa h GLY 389 CO -0.06 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.47 3hfa n ASN 390 N -3.53 2.62 -0.12 0.19 5.15 -0.32 -4.56 115.26 114.69 3hfa n ASN 390 Ca 0.06 -1.86 -0.05 0.00 -0.60 0.00 0.00 54.58 52.13 3hfa n ASN 390 Cb 0.61 -0.04 0.02 0.00 -0.53 0.00 0.00 39.78 39.83 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 -0.34 -0.14 1.20 5.85 -1.15 0.27 115.31 124.95 3hfa h LEU 391 Ca 0.00 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3hfa h LEU 391 Cb 0.85 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3hfa h LEU 391 CO 0.00 -0.12 -0.15 0.00 -0.34 0.00 0.00 178.44 177.83 3hfa h ALA 392 N 1.39 -0.07 -0.97 1.25 0.00 -1.81 0.52 119.26 119.59 3hfa h ALA 392 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3hfa h ALA 392 Cb 0.29 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3hfa h ALA 392 CO -0.40 -0.60 0.64 0.00 0.00 0.00 0.00 179.25 178.88 3hfa h ALA 393 N 0.88 1.24 -0.83 0.00 0.00 -1.68 -2.52 119.26 116.36 3hfa h ALA 393 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 393 Cb 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 393 CO -0.25 0.58 0.48 0.00 0.00 0.00 0.00 179.25 180.06 3hfa h ALA 394 N 1.37 1.29 0.00 0.00 0.00 0.59 0.30 119.26 122.81 3hfa h ALA 394 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hfa h ALA 394 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.36 3hfa h ALA 394 CO -0.09 0.60 0.00 0.52 0.00 0.00 0.00 179.25 180.27 3hfa h MET 395 N 1.15 0.00 -0.32 0.00 2.86 -0.50 -1.01 114.93 117.11 3hfa h MET 395 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3hfa h MET 395 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hfa h MET 395 CO -0.05 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.96 3hfa n GLN 396 N -2.34 2.20 0.00 1.72 1.13 -0.01 -4.93 117.38 115.14 3hfa n GLN 396 Ca 0.01 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.26 3hfa n GLN 396 Cb 0.21 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 1.35 0.51 2.58 1.08 0.00 -0.38 -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 7.70 -4.72 0.99 4.77 -0.57 -4.88 117.00 120.29 3hfa n LEU 398 Ca 0.00 -4.95 -0.36 0.00 -0.03 0.00 0.00 56.01 50.67 3hfa n LEU 398 Cb 0.00 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 39.67 3hfa n LEU 398 CO 0.00 1.96 -0.10 -0.22 -1.33 0.00 0.00 177.39 177.69 3hfa s LEU 399 N -2.24 4.22 -0.01 2.23 2.96 -1.26 -3.67 118.68 120.91 3hfa s LEU 399 Ca 0.49 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3hfa s LEU 399 Cb 0.17 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3hfa s LEU 399 CO -0.08 0.14 0.03 0.00 -1.32 0.00 0.00 176.35 175.12 3hfa s ALA 400 N 0.45 -0.05 -0.12 5.97 0.00 -1.26 -1.06 121.76 125.69 3hfa s ALA 400 Ca 0.12 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3hfa s ALA 400 Cb -0.12 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3hfa s ALA 400 CO 0.01 -0.03 -0.18 -0.51 0.00 0.00 0.00 175.76 175.05 3hfa s LEU 401 N 0.18 1.90 0.34 0.00 1.43 0.04 -4.94 118.68 117.64 3hfa s LEU 401 Ca -0.01 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 3hfa s LEU 401 Cb -0.02 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.86 3hfa s LEU 401 CO -0.01 0.05 0.72 -2.16 0.23 0.00 0.00 176.35 175.18 3hfa s PRO 402 N 0.91 3.89 -0.10 1.29 0.05 -1.26 -1.81 135.00 137.96 3hfa s PRO 402 Ca -0.07 0.53 0.03 0.00 0.05 0.00 0.00 61.00 61.54 3hfa s PRO 402 Cb -0.15 -2.45 -0.00 0.00 0.05 0.00 0.00 34.50 31.94 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 -3.27 2.22 -0.17 -3.56 2.96 0.16 -3.61 118.68 113.42 3hfa s LEU 403 Ca 0.52 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 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 0.23 0.16 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.17 3hfa s LEU 404 N 0.32 3.19 -0.03 -0.68 2.96 0.46 -1.56 118.68 123.34 3hfa s LEU 404 Ca -0.17 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3hfa s LEU 404 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3hfa s LEU 404 CO 0.08 0.12 -0.24 0.00 -1.32 0.00 0.00 176.35 174.99 3hfa s ALA 405 N 0.64 2.23 0.24 5.97 0.00 -0.29 -0.07 121.76 130.48 3hfa s ALA 405 Ca -0.02 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 3hfa s ALA 405 Cb -0.14 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3hfa s ALA 405 CO 0.02 0.51 0.57 0.20 0.00 0.00 0.00 175.76 177.06 3hfa s GLY 406 N -0.52 0.07 -0.18 0.00 0.00 0.06 -0.19 107.32 106.56 3hfa s GLY 406 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.38 3hfa s GLY 406 CO 0.00 -0.30 -0.16 -0.47 0.00 0.00 0.00 173.10 172.17 3hfa s TYR 407 N -3.93 2.61 -0.61 1.90 5.04 -0.26 0.31 117.35 122.41 3hfa s TYR 407 Ca 0.13 -1.59 -0.25 0.00 -2.44 0.00 0.00 57.07 52.92 3hfa s TYR 407 Cb -0.02 -1.79 0.05 0.00 0.35 0.00 0.00 41.96 40.54 3hfa s TYR 407 CO 0.03 -0.77 1.03 0.34 -1.34 0.00 0.00 175.55 174.84 3hfa s ASP 408 N 1.34 6.29 0.60 4.32 2.15 -0.09 -4.87 116.67 126.42 3hfa s ASP 408 Ca 0.03 -0.47 0.39 0.00 0.43 0.00 0.00 52.55 52.93 3hfa s ASP 408 Cb -0.14 -2.46 1.86 0.00 -0.30 0.00 0.00 42.92 41.88 3hfa s ASP 408 CO -0.11 -1.40 2.16 0.16 -0.17 0.00 0.00 175.17 175.82 3hfa h ILE 409 N 6.03 0.00 -0.02 4.11 3.07 -1.97 -1.93 117.51 126.80 3hfa h ILE 409 Ca -0.27 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.86 3hfa h ILE 409 Cb 1.07 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 3hfa h ILE 409 CO 1.15 0.00 -0.06 1.41 -1.05 0.00 0.00 178.15 179.60 3hfa n HIS 410 N -3.08 0.00 -2.03 0.16 8.25 -1.26 -4.95 115.22 112.31 3hfa n HIS 410 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.20 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.10 2.77 0.04 -1.41 0.00 -0.73 -4.96 121.76 115.37 3hfa s ALA 411 Ca 0.34 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 3hfa s ALA 411 Cb 0.20 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.69 3hfa s ALA 411 CO 0.37 -1.06 1.40 0.77 0.00 0.00 0.00 175.76 177.24 3hfa h SER 412 N 1.44 -0.46 -3.31 0.00 0.02 -1.92 -3.41 113.55 105.91 3hfa h SER 412 Ca -0.50 -0.09 -0.73 0.00 -0.84 0.00 0.00 61.79 59.63 3hfa h SER 412 Cb 1.28 0.12 -0.25 0.00 0.14 0.00 0.00 62.40 63.69 3hfa h SER 412 CO 0.57 -0.18 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.11 3hfa s ASP 413 N -4.86 5.97 0.60 3.07 2.15 -1.26 -4.95 116.67 117.40 3hfa s ASP 413 Ca -0.15 -1.50 0.30 0.00 0.43 0.00 0.00 52.55 51.63 3hfa s ASP 413 Cb 0.03 -2.12 1.70 0.00 -0.30 0.00 0.00 42.92 42.23 3hfa s ASP 413 CO 0.57 -0.65 2.09 -0.65 -0.17 0.00 0.00 175.17 176.36 3hfa h PRO 414 N 8.65 0.00 -0.34 4.34 0.11 -1.95 -1.14 132.00 141.68 3hfa h PRO 414 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 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 -0.06 1.96 -0.21 0.00 0.00 178.00 180.56 3hfa h GLN 415 N 0.00 0.56 -0.06 1.05 1.08 -1.92 -3.15 115.11 112.66 3hfa h GLN 415 Ca 0.08 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3hfa h GLN 415 Cb 0.52 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3hfa h GLN 415 CO -0.00 0.63 -0.33 -1.13 -0.95 0.00 0.00 178.83 177.05 3hfa n SER 416 N -4.23 2.00 0.00 1.46 3.41 -0.46 -0.66 113.62 115.14 3hfa n SER 416 Ca 0.01 -3.72 0.14 0.00 -0.26 0.00 0.00 58.87 55.04 3hfa n SER 416 Cb 0.29 -0.53 0.66 0.00 -0.26 0.00 0.00 64.21 64.38 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 2.34 -1.76 7.33 0.00 -1.00 -4.81 120.51 121.45 3hfa n ALA 417 Ca 0.21 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 3hfa n ALA 417 Cb 0.74 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.76 3hfa n ALA 417 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hfa s GLY 418 N -2.74 2.87 -0.02 0.00 0.00 -1.26 -0.91 107.32 105.26 3hfa s GLY 418 Ca 0.21 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.17 3hfa s GLY 418 CO 0.46 1.75 -0.04 0.50 0.00 0.00 0.00 173.10 175.77 3hfa s ARG 419 N -2.69 0.45 -0.09 2.90 1.81 0.15 -4.89 118.95 116.59 3hfa s ARG 419 Ca 0.66 -0.12 0.01 0.00 -1.72 0.00 0.00 55.73 54.57 3hfa s ARG 419 Cb -0.37 -0.48 0.02 0.00 -0.45 0.00 0.00 34.95 33.67 3hfa s ARG 419 CO 0.45 0.03 -0.12 0.42 -0.68 0.00 0.00 175.30 175.40 3hfa s ILE 420 N 0.27 1.24 -0.06 1.52 1.01 -1.26 -0.76 121.20 123.17 3hfa s ILE 420 Ca -0.03 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3hfa s ILE 420 Cb -0.06 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3hfa s ILE 420 CO -0.00 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 174.52 3hfa s VAL 421 N 1.00 1.07 0.20 2.92 1.01 0.90 -0.47 120.40 127.02 3hfa s VAL 421 Ca -0.08 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3hfa s VAL 421 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hfa s VAL 421 CO -0.01 0.34 0.08 -0.94 0.00 0.00 0.00 175.10 174.57 3hfa s SER 422 N 0.65 5.11 0.01 3.32 1.04 -0.53 -0.41 113.70 122.89 3hfa s SER 422 Ca -0.14 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 55.99 3hfa s SER 422 Cb -0.15 -1.20 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 3hfa s SER 422 CO 0.03 0.05 -0.07 -0.36 0.98 0.00 0.00 173.24 173.88 3hfa s PHE 423 N -1.88 0.58 0.50 5.02 0.08 -1.24 -0.89 117.98 120.14 3hfa s PHE 423 Ca 0.30 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.18 3hfa s PHE 423 Cb -0.09 -0.36 0.03 0.00 -0.57 0.00 0.00 43.02 42.03 3hfa s PHE 423 CO 0.21 -0.03 0.54 0.16 -0.10 0.00 0.00 175.22 176.00 3hfa s ASP 424 N -0.67 5.05 0.47 1.36 1.47 0.02 -4.70 116.67 119.67 3hfa s ASP 424 Ca -0.02 -0.85 0.31 0.00 1.18 0.00 0.00 52.55 53.17 3hfa s ASP 424 Cb -0.05 -0.08 1.38 0.00 -0.34 0.00 0.00 42.92 43.83 3hfa s ASP 424 CO 0.00 -0.99 1.94 0.00 0.68 0.00 0.00 175.17 176.80 3hfa h ALA 425 N 0.65 1.00 -0.19 2.11 0.00 -1.92 -2.03 119.26 118.89 3hfa h ALA 425 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3hfa n ALA 426 N -1.98 2.49 -0.20 0.00 0.00 -1.26 -4.42 120.51 115.14 3hfa n ALA 426 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3hfa n ALA 426 Cb 0.24 -0.99 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 1.29 0.68 3.77 0.00 0.00 -0.76 -4.53 105.19 105.64 3hfa n GLY 427 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.41 2.93 0.10 -0.02 0.00 -1.25 -4.74 107.32 102.93 3hfa s GLY 428 Ca 0.00 1.35 0.05 0.00 0.00 0.00 0.00 44.72 46.12 3hfa s GLY 428 CO 0.00 1.96 -0.12 0.66 0.00 0.00 0.00 173.10 175.60 3hfa s TRP 429 N -1.22 1.23 -0.06 1.90 1.48 -1.26 -0.80 118.94 120.21 3hfa s TRP 429 Ca 0.57 -0.58 -0.02 0.00 -1.06 0.00 0.00 56.10 55.01 3hfa s TRP 429 Cb -0.41 -0.66 0.04 0.00 -1.16 0.00 0.00 33.47 31.28 3hfa s TRP 429 CO 0.53 0.07 0.11 1.21 -4.06 0.00 0.00 176.95 174.82 3hfa s ASN 430 N -2.32 0.50 -0.34 -2.66 2.47 -0.07 -4.98 114.94 107.54 3hfa s ASN 430 Ca 0.05 0.22 -0.29 0.00 0.42 0.00 0.00 52.86 53.26 3hfa s ASN 430 Cb -0.05 0.10 0.01 0.00 -1.45 0.00 0.00 41.25 39.87 3hfa s ASN 430 CO 0.02 -0.20 1.17 -0.63 -3.72 0.00 0.00 177.10 173.74 3hfa s ILE 431 N 1.77 4.32 0.16 -5.21 1.01 -1.26 -1.46 121.20 120.54 3hfa s ILE 431 Ca -0.02 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 61.81 3hfa s ILE 431 Cb -0.12 -4.36 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 3hfa s ILE 431 CO -0.05 -0.57 1.42 -0.70 0.00 0.00 0.00 174.94 175.04 3hfa s GLU 432 N 3.99 4.30 0.00 2.79 2.56 0.38 -4.93 118.70 127.79 3hfa s GLU 432 Ca 0.50 2.17 0.08 0.00 0.00 0.00 0.00 54.97 57.72 3hfa s GLU 432 Cb -0.13 -3.20 0.05 0.00 2.00 0.00 0.00 34.13 32.85 3hfa s GLU 432 CO 0.21 -0.43 0.70 0.39 -0.56 0.00 0.00 175.26 175.57 3hfa n GLU 433 N 3.42 0.78 -0.05 4.30 1.02 -1.26 -4.61 120.64 124.25 3hfa n GLU 433 Ca 0.10 -0.86 0.11 0.00 -0.02 0.00 0.00 57.16 56.48 3hfa n GLU 433 Cb 0.41 -1.12 0.12 0.00 -0.02 0.00 0.00 31.44 30.83 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 0.25 2.04 0.00 3.49 1.02 -1.26 -4.98 120.64 121.19 3hfa n GLU 434 Ca 0.04 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.32 3hfa n GLU 434 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.22 2.81 3.55 0.62 0.00 -1.26 -5.03 105.19 107.10 3hfa n GLY 435 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.64 -0.05 0.19 1.61 -0.85 -1.26 -0.43 117.35 113.92 3hfa s TYR 436 Ca 0.00 -0.30 -0.23 0.00 -0.52 0.00 0.00 57.07 56.02 3hfa s TYR 436 Cb 0.00 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.78 3hfa s TYR 436 CO 0.00 -0.95 0.69 -1.14 -1.52 0.00 0.00 175.55 172.63 3hfa s GLN 437 N -3.90 1.43 -0.02 -3.49 2.00 -0.21 -4.96 119.66 110.51 3hfa s GLN 437 Ca 0.11 -0.66 -0.23 0.00 -2.00 0.00 0.00 55.36 52.58 3hfa s GLN 437 Cb -0.01 0.57 0.05 0.00 0.80 0.00 0.00 33.01 34.42 3hfa s GLN 437 CO -0.00 -0.64 0.50 0.00 -0.50 0.00 0.00 175.29 174.65 3hfa s ALA 438 N -3.74 -1.29 0.05 1.58 0.00 -1.26 -1.42 121.76 115.68 3hfa s ALA 438 Ca 0.06 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3hfa s ALA 438 Cb -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 438 CO -0.05 -0.33 -0.07 0.54 0.00 0.00 0.00 175.76 175.85 3hfa s VAL 439 N -1.38 0.56 0.00 0.00 0.11 -0.16 -4.87 120.40 114.67 3hfa s VAL 439 Ca -0.12 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 3hfa s VAL 439 Cb -0.02 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3hfa s VAL 439 CO 0.06 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 171.95 3hfa n GLY 440 N 1.13 1.25 0.30 6.54 0.00 -1.26 -1.22 105.19 111.93 3hfa n GLY 440 Ca -0.20 -2.19 0.20 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.37 1.61 4.64 -1.15 -0.91 113.55 117.38 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 -1.13 2.62 0.32 -0.77 0.00 -1.12 -4.74 105.19 100.37 3hfa n GLY 442 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 2.23 0.54 -0.15 1.61 4.64 -1.40 -1.68 113.55 119.35 3hfa h SER 443 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3hfa h SER 443 Cb 0.74 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3hfa h SER 443 CO 0.00 0.40 0.07 -0.07 -0.87 0.00 0.00 176.83 176.36 3hfa h LEU 444 N 0.64 0.20 -0.85 5.97 4.07 -1.85 -0.37 115.31 123.12 3hfa h LEU 444 Ca 0.17 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 3hfa h LEU 444 Cb -0.07 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 3hfa h LEU 444 CO -0.04 0.27 0.18 -0.26 -1.08 0.00 0.00 178.44 177.51 3hfa h PHE 445 N 0.11 1.07 -0.50 1.13 0.04 -1.78 -1.04 116.94 115.97 3hfa h PHE 445 Ca 0.05 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 3hfa h PHE 445 Cb 0.12 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3hfa h PHE 445 CO -0.03 0.86 0.10 0.00 -0.60 0.00 0.00 178.31 178.65 3hfa h ALA 446 N 1.20 0.66 -0.20 2.45 0.00 -1.13 -1.92 119.26 120.32 3hfa h ALA 446 Ca 0.21 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 446 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hfa h ALA 446 CO -0.00 0.37 -0.51 0.87 0.00 0.00 0.00 179.25 179.98 3hfa h LYS 447 N 0.69 0.57 -0.04 0.00 1.57 -0.79 0.15 116.57 118.72 3hfa h LYS 447 Ca 0.15 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 3hfa h LYS 447 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hfa h LYS 447 CO 0.01 0.94 -0.43 0.77 -0.57 0.00 0.00 179.45 180.17 3hfa h SER 448 N 0.45 0.09 -0.03 0.86 0.02 -1.14 0.42 113.55 114.21 3hfa h SER 448 Ca 0.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3hfa h SER 448 Cb 1.04 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3hfa h SER 448 CO 0.10 0.51 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.95 3hfa h SER 449 N 0.07 0.11 -0.32 3.07 0.87 -1.01 -3.22 113.55 113.12 3hfa h SER 449 Ca 0.00 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 3hfa h SER 449 Cb 0.79 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3hfa h SER 449 CO 0.06 0.66 0.16 0.24 -0.53 0.00 0.00 176.83 177.42 3hfa h MET 450 N -0.43 0.50 -0.89 2.24 2.07 -0.80 -1.34 114.93 116.28 3hfa h MET 450 Ca 0.00 -0.05 0.17 0.00 -2.07 0.00 0.00 59.70 57.75 3hfa h MET 450 Cb 0.64 -0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 30.20 3hfa h MET 450 CO 0.01 0.40 0.58 -0.22 1.07 0.00 0.00 176.91 178.75 3hfa h LYS 451 N 0.50 0.53 0.00 1.72 3.64 -0.92 0.15 116.57 122.19 3hfa h LYS 451 Ca 0.13 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.26 3hfa h LYS 451 Cb 0.07 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3hfa h LYS 451 CO -0.02 0.35 -1.49 0.87 -2.27 0.00 0.00 179.45 176.90 3hfa h LYS 452 N 0.55 0.00 0.00 1.90 1.79 -1.32 -3.39 116.57 116.09 3hfa h LYS 452 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 3hfa h LYS 452 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3hfa h LYS 452 CO -0.20 0.41 -1.57 1.28 -1.08 0.00 0.00 179.45 178.29 3hfa n LEU 453 N -2.98 0.36 0.28 2.94 4.77 -0.69 -4.53 117.00 117.14 3hfa n LEU 453 Ca -0.12 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3hfa n LEU 453 Cb 0.93 -0.02 0.80 0.00 -2.33 0.00 0.00 43.42 42.79 3hfa n LEU 453 CO 0.44 0.02 1.05 0.22 -1.33 0.00 0.00 177.39 177.78 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.94 -0.28 116.97 117.19 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 0.89 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.16 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 0.46 -2.11 4.64 -1.83 -1.32 113.55 113.38 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 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 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 -2.86 0.55 -2.78 4.77 6.02 -0.11 -4.81 117.38 118.15 3hfa n GLN 456 Ca -0.01 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.41 3hfa n GLN 456 Cb 0.19 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 -4.80 120.40 123.27 3hfa s VAL 457 Ca 0.27 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3hfa s VAL 457 Cb 0.20 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3hfa s VAL 457 CO 0.49 -0.41 0.00 0.35 0.00 0.00 0.00 175.10 175.53 3hfa n THR 458 N 5.76 0.00 -3.81 3.92 -2.24 -1.26 -4.87 114.28 111.79 3hfa n THR 458 Ca 0.08 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 3hfa n THR 458 Cb 0.48 0.89 0.03 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.52 0.02 0.36 3.42 1.47 -1.26 -4.52 116.67 115.64 3hfa s ASP 459 Ca 0.00 -1.15 0.04 0.00 1.18 0.00 0.00 52.55 52.62 3hfa s ASP 459 Cb 0.00 0.84 0.68 0.00 -0.34 0.00 0.00 42.92 44.10 3hfa s ASP 459 CO 0.00 -1.68 1.98 1.23 0.68 0.00 0.00 175.17 177.39 3hfa h GLY 460 N 2.00 0.73 0.65 2.12 0.00 -1.95 -0.17 103.07 106.45 3hfa h GLY 460 Ca -0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3hfa h GLY 460 CO 0.41 0.30 -0.03 -1.80 0.00 0.00 0.00 176.54 175.43 3hfa h ASP 461 N 0.69 0.12 0.26 0.19 1.82 -1.99 -0.61 116.42 116.90 3hfa h ASP 461 Ca 0.18 -0.41 -0.12 0.00 -0.39 0.00 0.00 57.03 56.28 3hfa h ASP 461 Cb 0.03 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 3hfa h ASP 461 CO -0.03 0.51 -0.49 0.77 -1.61 0.00 0.00 179.24 178.40 3hfa h SER 462 N -0.26 0.29 -0.45 2.28 4.64 -1.87 -1.83 113.55 116.35 3hfa h SER 462 Ca 0.01 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3hfa h SER 462 Cb 0.46 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3hfa h SER 462 CO 0.01 0.73 0.29 1.23 -0.87 0.00 0.00 176.83 178.22 3hfa h GLY 463 N 1.30 0.65 0.96 -0.77 0.00 -0.91 -0.92 103.07 103.37 3hfa h GLY 463 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3hfa h GLY 463 CO 0.08 0.25 0.17 -2.00 0.00 0.00 0.00 176.54 175.04 3hfa h LEU 464 N 0.61 0.64 -0.49 3.11 5.85 -0.84 -1.48 115.31 122.71 3hfa h LEU 464 Ca 0.16 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hfa h LEU 464 Cb -0.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3hfa h LEU 464 CO -0.03 0.65 0.26 -0.09 -0.34 0.00 0.00 178.44 178.89 3hfa h ARG 465 N 0.60 0.51 -0.70 1.25 2.43 -1.05 -0.63 114.38 116.79 3hfa h ARG 465 Ca 0.15 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3hfa h ARG 465 Cb 0.22 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3hfa h ARG 465 CO -0.01 0.33 0.15 0.28 -1.51 0.00 0.00 179.97 179.21 3hfa h VAL 466 N 0.52 1.26 -0.46 0.20 2.07 -1.00 -0.06 116.25 118.78 3hfa h VAL 466 Ca 0.21 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3hfa h VAL 466 Cb 0.08 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hfa h VAL 466 CO -0.13 0.38 0.28 0.00 0.02 0.00 0.00 177.57 178.13 3hfa h ALA 467 N 1.09 0.59 -0.42 1.67 0.00 -0.89 0.57 119.26 121.86 3hfa h ALA 467 Ca 0.22 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 467 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 467 CO 0.01 0.08 -0.14 0.28 0.00 0.00 0.00 179.25 179.48 3hfa h VAL 468 N 0.62 1.26 -0.14 0.00 2.07 -0.87 -1.85 116.25 117.34 3hfa h VAL 468 Ca 0.17 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.34 3hfa h VAL 468 Cb -0.00 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3hfa h VAL 468 CO -0.03 0.41 -0.48 -0.08 0.02 0.00 0.00 177.57 177.41 3hfa h GLU 469 N 0.70 0.37 -0.58 1.57 4.81 -0.74 -0.18 114.58 120.54 3hfa h GLU 469 Ca 0.11 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3hfa h GLU 469 Cb 0.63 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3hfa h GLU 469 CO 0.04 0.78 0.14 0.00 -0.73 0.00 0.00 179.01 179.24 3hfa h ALA 470 N 1.19 0.77 -0.89 2.92 0.00 -0.63 0.03 119.26 122.65 3hfa h ALA 470 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hfa h ALA 470 Cb 0.96 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hfa h ALA 470 CO 0.08 0.47 0.48 -0.07 0.00 0.00 0.00 179.25 180.21 3hfa h LEU 471 N 0.84 1.13 -0.25 0.00 4.07 -1.13 -0.36 115.31 119.60 3hfa h LEU 471 Ca 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 471 Cb 0.35 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3hfa h LEU 471 CO 0.00 0.91 0.16 0.22 -1.08 0.00 0.00 178.44 178.65 3hfa h TYR 472 N 1.26 0.32 -0.55 1.13 3.20 -0.48 -0.48 116.97 121.36 3hfa h TYR 472 Ca 0.31 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hfa h TYR 472 Cb 0.04 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3hfa h TYR 472 CO 0.01 0.21 0.11 -0.44 -1.64 0.00 0.00 178.16 176.41 3hfa h ASP 473 N 0.33 0.81 -0.31 -2.11 3.32 -0.72 -0.39 116.42 117.35 3hfa h ASP 473 Ca 0.09 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hfa h ASP 473 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3hfa h ASP 473 CO -0.02 0.81 0.19 0.00 -1.72 0.00 0.00 179.24 178.51 3hfa h ALA 474 N 1.29 0.40 -0.39 3.45 0.00 -0.69 -2.39 119.26 120.94 3hfa h ALA 474 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 474 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 474 CO 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.09 3hfa h ALA 475 N 1.08 1.19 -0.31 0.00 0.00 -0.74 0.42 119.26 120.89 3hfa h ALA 475 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 475 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hfa h ALA 475 CO -0.02 0.53 0.15 0.22 0.00 0.00 0.00 179.25 180.12 3hfa h ASP 476 N 0.60 0.38 0.00 0.00 3.58 -0.71 -3.25 116.42 117.02 3hfa h ASP 476 Ca 0.12 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3hfa h ASP 476 Cb 0.46 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3hfa h ASP 476 CO 0.02 0.33 -0.68 0.47 -2.88 0.00 0.00 179.24 176.50 3hfa n ASP 477 N -4.43 0.85 -3.93 2.28 8.00 -0.93 -4.93 116.55 113.46 3hfa n ASP 477 Ca 0.02 -0.62 -0.29 0.00 0.71 0.00 0.00 54.79 54.60 3hfa n ASP 477 Cb 0.12 1.09 -0.16 0.00 -0.02 0.00 0.00 41.12 42.14 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 -2.24 3.28 0.41 -2.24 2.15 0.10 -5.01 116.67 113.12 3hfa s ASP 478 Ca 0.03 -0.88 0.29 0.00 0.43 0.00 0.00 52.55 52.42 3hfa s ASP 478 Cb 0.08 -1.07 1.30 0.00 -0.30 0.00 0.00 42.92 42.93 3hfa s ASP 478 CO 0.45 -0.19 1.87 0.77 -0.17 0.00 0.00 175.17 177.90 3hfa h SER 479 N 8.04 0.00 0.12 -0.34 4.64 -1.86 -1.92 113.55 122.23 3hfa h SER 479 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hfa h SER 479 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hfa h SER 479 CO 0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.34 3hfa n ALA 480 N -1.92 2.69 -2.84 5.18 0.00 -1.26 -4.78 120.51 117.59 3hfa n ALA 480 Ca 0.01 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 3hfa n ALA 480 Cb 0.22 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.17 3.22 -0.05 0.00 2.01 -0.72 -0.80 115.64 117.12 3hfa s THR 481 Ca 0.38 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 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 0.40 0.55 0.44 -0.83 -0.69 0.00 0.00 174.62 174.49 3hfa s GLY 482 N -0.09 2.45 0.74 4.40 0.00 -1.26 -4.50 107.32 109.06 3hfa s GLY 482 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 3hfa s GLY 482 CO 0.03 0.43 1.04 -0.32 0.00 0.00 0.00 173.10 174.28 3hfa s GLY 483 N -0.33 1.75 0.21 0.20 0.00 -1.26 -4.56 107.32 103.33 3hfa s GLY 483 Ca 0.25 -1.32 -0.32 0.00 0.00 0.00 0.00 44.72 43.32 3hfa s GLY 483 CO 0.12 -0.80 1.52 -1.05 0.00 0.00 0.00 173.10 172.89 3hfa n PRO 484 N -2.98 2.23 -3.47 2.90 -0.02 -1.26 -4.91 135.00 127.49 3hfa n PRO 484 Ca 0.12 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 3hfa n PRO 484 Cb 0.60 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 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 5.93 0.27 2.55 -1.08 0.01 -4.93 116.67 120.05 3hfa s ASP 485 Ca 0.72 -2.00 0.11 0.00 -0.52 0.00 0.00 52.55 50.86 3hfa s ASP 485 Cb -0.63 -2.08 0.35 0.00 -1.46 0.00 0.00 42.92 39.10 3hfa s ASP 485 CO 0.43 -0.72 1.60 -0.07 0.52 0.00 0.00 175.17 176.94 3hfa h LEU 486 N 8.45 0.00 -0.12 -1.34 4.07 -1.92 0.32 115.31 124.76 3hfa h LEU 486 Ca -0.20 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 3hfa h LEU 486 Cb 1.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 3hfa h LEU 486 CO 0.90 0.62 -0.01 0.58 -1.08 0.00 0.00 178.44 179.44 3hfa h VAL 487 N 0.00 1.27 0.00 1.22 2.07 -1.97 -3.23 116.25 115.61 3hfa h VAL 487 Ca -0.01 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3hfa h VAL 487 Cb 1.11 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3hfa h VAL 487 CO 0.08 0.25 -0.67 0.03 0.02 0.00 0.00 177.57 177.28 3hfa h ARG 488 N -0.08 0.00 -3.14 1.57 3.08 -1.98 -3.48 114.38 110.35 3hfa h ARG 488 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 3hfa h ARG 488 Cb 0.40 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.51 3hfa h ARG 488 CO 0.01 0.00 -0.28 0.41 -1.07 0.00 0.00 179.97 179.04 3hfa n GLY 489 N 1.26 0.26 3.33 0.04 0.00 0.10 -5.05 105.19 105.12 3hfa n GLY 489 Ca 0.02 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.13 2.69 0.22 -0.61 1.01 -0.62 -5.00 121.20 115.76 3hfa s ILE 490 Ca 0.13 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hfa s ILE 490 Cb -0.06 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hfa s ILE 490 CO 0.29 0.54 -0.05 -0.36 0.00 0.00 0.00 174.94 175.36 3hfa s PHE 491 N 0.25 1.60 0.78 3.97 0.08 -1.26 -0.81 117.98 122.59 3hfa s PHE 491 Ca -0.12 -0.81 -0.15 0.00 0.12 0.00 0.00 56.93 55.97 3hfa s PHE 491 Cb -0.16 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.40 3hfa s PHE 491 CO 0.06 0.09 0.60 -2.30 -0.10 0.00 0.00 175.22 173.57 3hfa n PRO 492 N -0.40 0.18 -4.06 0.24 -0.02 -1.26 -4.84 135.00 124.84 3hfa n PRO 492 Ca -0.06 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.29 3hfa n PRO 492 Cb 0.63 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.03 4.70 0.01 3.45 -4.23 -0.73 -4.94 115.64 111.88 3hfa s THR 493 Ca 0.65 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 3hfa s THR 493 Cb -0.31 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3hfa s THR 493 CO 0.59 -0.25 0.31 0.00 -0.54 0.00 0.00 174.62 174.72 3hfa s ALA 494 N -1.96 -0.74 -0.03 3.99 0.00 -1.26 -1.27 121.76 120.50 3hfa s ALA 494 Ca 0.33 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3hfa s ALA 494 Cb -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3hfa s ALA 494 CO 0.26 -0.32 -0.16 0.08 0.00 0.00 0.00 175.76 175.62 3hfa s VAL 495 N -1.80 1.27 -0.09 0.00 1.01 0.45 -0.90 120.40 120.34 3hfa s VAL 495 Ca -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3hfa s VAL 495 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3hfa s VAL 495 CO 0.01 0.37 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 3hfa s ILE 496 N -0.12 3.21 -0.10 2.22 1.01 -0.54 -0.90 121.20 125.97 3hfa s ILE 496 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3hfa s ILE 496 Cb -0.09 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3hfa s ILE 496 CO 0.01 0.56 -0.12 -0.63 0.00 0.00 0.00 174.94 174.76 3hfa s ILE 497 N -0.31 1.24 0.00 2.92 1.01 -0.14 -0.70 121.20 125.22 3hfa s ILE 497 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3hfa s ILE 497 Cb -0.13 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3hfa s ILE 497 CO 0.03 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.46 3hfa n ASP 498 N 4.42 0.58 0.25 3.58 5.68 -1.16 -1.22 116.55 128.68 3hfa n ASP 498 Ca -0.18 -0.06 0.13 0.00 -0.50 0.00 0.00 54.79 54.19 3hfa n ASP 498 Cb 0.51 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.28 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 1.80 -0.07 2.12 0.00 -1.95 0.50 119.26 122.66 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 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 3hfa n ASP 500 N -4.13 1.05 0.00 0.00 8.00 -1.26 -5.03 116.55 115.18 3hfa n ASP 500 Ca -0.02 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3hfa n ASP 500 Cb 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.06 0.71 3.71 0.44 0.00 0.16 -4.99 105.19 106.28 3hfa n GLY 501 Ca 0.18 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.19 3.27 0.03 4.61 0.00 0.11 -2.99 121.76 125.60 3hfa s ALA 502 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3hfa s ALA 502 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3hfa s ALA 502 CO 0.00 -0.21 -0.08 0.14 0.00 0.00 0.00 175.76 175.61 3hfa s VAL 503 N 1.01 0.60 0.18 0.00 -7.23 0.12 -4.97 120.40 110.12 3hfa s VAL 503 Ca 0.44 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 3hfa s VAL 503 Cb -0.19 -0.60 -0.08 0.00 0.56 0.00 0.00 36.38 36.06 3hfa s VAL 503 CO 0.22 -0.17 1.23 -1.81 -0.31 0.00 0.00 175.10 174.27 3hfa s ASP 504 N -1.07 7.02 0.01 4.85 1.01 -1.26 -1.47 116.67 125.77 3hfa s ASP 504 Ca -0.04 2.28 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 3hfa s ASP 504 Cb -0.07 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 3hfa s ASP 504 CO 0.00 -0.43 0.96 -0.69 0.21 0.00 0.00 175.17 175.23 3hfa s VAL 505 N 0.06 4.82 0.32 -1.27 1.01 -0.08 -4.91 120.40 120.36 3hfa s VAL 505 Ca 0.54 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 64.26 3hfa s VAL 505 Cb -0.34 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.63 3hfa s VAL 505 CO 0.37 0.19 1.55 -2.84 0.00 0.00 0.00 175.10 174.37 3hfa s PRO 506 N 0.83 4.12 0.30 2.72 0.02 -1.26 -4.61 135.00 137.12 3hfa s PRO 506 Ca 0.50 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.15 3hfa s PRO 506 Cb -0.21 -3.00 0.76 0.00 0.02 0.00 0.00 34.50 32.07 3hfa s PRO 506 CO 0.28 -0.59 1.73 1.49 -0.33 0.00 0.00 177.00 179.58 3hfa h GLU 507 N 4.14 0.54 -0.64 5.54 4.81 -1.94 -1.75 114.58 125.28 3hfa h GLU 507 Ca -0.48 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3hfa h GLU 507 Cb 1.23 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hfa h GLU 507 CO 0.73 0.36 0.42 0.66 -0.73 0.00 0.00 179.01 180.45 3hfa h SER 508 N 0.55 0.68 0.15 1.04 4.64 -1.99 0.12 113.55 118.74 3hfa h SER 508 Ca 0.58 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.68 3hfa h SER 508 Cb 1.05 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3hfa h SER 508 CO -0.46 0.48 -0.80 -0.09 -0.87 0.00 0.00 176.83 175.08 3hfa h ARG 509 N 0.80 0.53 -0.48 4.77 2.43 -1.69 -2.08 114.38 118.66 3hfa h ARG 509 Ca 0.25 -0.47 -0.13 0.00 -0.81 0.00 0.00 59.98 58.82 3hfa h ARG 509 Cb 0.01 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3hfa h ARG 509 CO -0.06 1.10 -0.21 0.82 -1.51 0.00 0.00 179.97 180.11 3hfa h ILE 510 N 0.35 1.27 -0.79 1.20 2.04 -1.24 -1.96 117.51 118.38 3hfa h ILE 510 Ca -0.05 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 3hfa h ILE 510 Cb 1.41 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3hfa h ILE 510 CO 0.15 0.47 0.48 0.00 0.00 0.00 0.00 178.15 179.25 3hfa h ALA 511 N 0.90 1.01 -0.22 1.87 0.00 -0.70 0.48 119.26 122.60 3hfa h ALA 511 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 511 Cb 0.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hfa h ALA 511 CO 0.06 0.48 0.09 1.49 0.00 0.00 0.00 179.25 181.37 3hfa h GLU 512 N 1.09 0.34 -0.44 0.00 4.81 -1.23 -1.10 114.58 118.04 3hfa h GLU 512 Ca 0.28 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3hfa h GLU 512 Cb -0.04 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3hfa h GLU 512 CO -0.05 0.39 0.15 -0.07 -0.73 0.00 0.00 179.01 178.70 3hfa h LEU 513 N 0.21 0.16 -0.49 1.64 4.07 -0.97 -1.45 115.31 118.48 3hfa h LEU 513 Ca 0.07 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.10 3hfa h LEU 513 Cb 0.18 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 3hfa h LEU 513 CO -0.01 0.12 0.30 0.00 -1.08 0.00 0.00 178.44 177.78 3hfa h ALA 514 N 1.29 0.62 -0.81 1.53 0.00 -0.62 -0.76 119.26 120.51 3hfa h ALA 514 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 514 Cb 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 514 CO -0.21 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.43 3hfa h ARG 515 N 0.60 1.16 -0.45 0.00 3.08 -0.92 -0.06 114.38 117.79 3hfa h ARG 515 Ca 0.19 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3hfa h ARG 515 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3hfa h ARG 515 CO -0.07 0.90 0.21 0.00 -1.07 0.00 0.00 179.97 179.93 3hfa h ALA 516 N 1.20 0.57 -0.60 0.04 0.00 -0.70 0.13 119.26 119.91 3hfa h ALA 516 Ca 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 516 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hfa h ALA 516 CO -0.03 0.14 0.40 0.82 0.00 0.00 0.00 179.25 180.58 3hfa h ILE 517 N 0.58 1.16 -0.50 0.00 2.04 -0.77 0.16 117.51 120.17 3hfa h ILE 517 Ca 0.15 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3hfa h ILE 517 Cb 0.13 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3hfa h ILE 517 CO -0.02 0.15 0.18 0.40 0.00 0.00 0.00 178.15 178.87 3hfa h ILE 518 N 0.82 1.22 -0.69 -0.67 2.04 -0.64 -2.10 117.51 117.48 3hfa h ILE 518 Ca 0.22 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 3hfa h ILE 518 Cb -0.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3hfa h ILE 518 CO -0.05 0.26 0.15 -0.33 0.00 0.00 0.00 178.15 178.19 3hfa h GLU 519 N 0.68 1.12 -0.43 2.37 5.08 -0.38 -1.54 114.58 121.47 3hfa h GLU 519 Ca 0.17 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3hfa h GLU 519 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hfa h GLU 519 CO -0.01 1.00 0.20 1.03 -1.00 0.00 0.00 179.01 180.23 3hfa h SER 520 N 1.05 0.58 -0.50 1.42 0.87 -0.81 -1.39 113.55 114.77 3hfa h SER 520 Ca 0.22 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 3hfa h SER 520 Cb 0.39 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3hfa h SER 520 CO 0.01 0.56 -0.14 0.03 -0.53 0.00 0.00 176.83 176.75 3hfa h ARG 521 N 0.56 1.00 -0.62 2.24 3.08 -1.25 -3.16 114.38 116.22 3hfa h ARG 521 Ca 0.15 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 3hfa h ARG 521 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hfa h ARG 521 CO -0.02 1.06 0.04 0.77 -1.07 0.00 0.00 179.97 180.75 3hfa h SER 522 N 0.88 1.04 0.00 7.04 0.02 -1.17 -3.52 113.55 117.84 3hfa h SER 522 Ca 0.13 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3hfa h SER 522 Cb 0.71 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hfa h SER 522 CO 0.05 1.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.42