#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 0.29 -0.08 12.58 2.01 -1.26 -0.48 115.64 128.69 3hfa s THR 302 Ca 0.00 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.98 3hfa s THR 302 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3hfa s THR 302 CO 0.00 0.14 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.31 3hfa s ILE 303 N 0.60 1.27 0.18 1.82 1.01 -0.21 -2.40 121.20 123.47 3hfa s ILE 303 Ca -0.06 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.16 3hfa s ILE 303 Cb -0.10 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3hfa s ILE 303 CO -0.01 0.39 -0.23 0.68 0.00 0.00 0.00 174.94 175.78 3hfa s VAL 304 N 0.79 2.46 -0.06 2.92 -7.23 -0.11 -0.99 120.40 118.18 3hfa s VAL 304 Ca -0.12 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.04 3hfa s VAL 304 Cb -0.16 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.64 3hfa s VAL 304 CO 0.02 -0.08 0.22 0.00 -0.31 0.00 0.00 175.10 174.95 3hfa s ALA 305 N -1.56 -0.53 -0.01 1.32 0.00 -0.41 -1.14 121.76 119.42 3hfa s ALA 305 Ca 0.20 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3hfa s ALA 305 Cb -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3hfa s ALA 305 CO 0.10 -0.14 0.28 -0.48 0.00 0.00 0.00 175.76 175.52 3hfa s LEU 306 N -0.26 0.99 -0.00 0.00 0.05 -0.31 -1.23 118.68 117.91 3hfa s LEU 306 Ca -0.04 0.02 -0.19 0.00 0.05 0.00 0.00 54.13 53.97 3hfa s LEU 306 Cb -0.03 1.16 -0.06 0.00 -2.05 0.00 0.00 46.19 45.21 3hfa s LEU 306 CO 0.01 -0.44 0.55 -0.54 -0.55 0.00 0.00 176.35 175.38 3hfa s LYS 307 N -1.37 4.24 0.33 1.48 1.02 0.52 -0.95 119.74 125.00 3hfa s LYS 307 Ca -0.14 0.65 0.05 0.00 0.02 0.00 0.00 55.97 56.56 3hfa s LYS 307 Cb -0.06 -3.31 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 3hfa s LYS 307 CO 0.04 0.45 0.01 1.52 -0.92 0.00 0.00 175.35 176.44 3hfa s TYR 308 N -0.41 2.08 -0.26 3.18 -0.85 -0.66 -4.95 117.35 115.49 3hfa s TYR 308 Ca 0.29 -0.81 -0.28 0.00 -0.52 0.00 0.00 57.07 55.75 3hfa s TYR 308 Cb -0.18 -1.33 -0.05 0.00 0.38 0.00 0.00 41.96 40.78 3hfa s TYR 308 CO 0.16 0.20 2.24 -2.14 -1.52 0.00 0.00 175.55 174.49 3hfa s PRO 309 N -3.80 2.99 0.00 -3.49 0.02 -1.26 -1.52 135.00 127.94 3hfa s PRO 309 Ca 0.34 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3hfa s PRO 309 Cb 0.07 -4.40 0.00 0.00 0.02 0.00 0.00 34.50 30.19 3hfa s PRO 309 CO 0.15 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.96 3hfa n GLY 310 N 5.80 0.38 0.00 0.52 0.00 0.14 -4.73 105.19 107.30 3hfa n GLY 310 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.55 1.68 3.14 -0.02 0.00 -0.57 -4.16 105.19 103.71 3hfa n GLY 311 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.46 0.09 0.03 1.61 0.11 -0.46 -1.65 120.40 117.66 3hfa s VAL 312 Ca 0.00 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 3hfa s VAL 312 Cb 0.00 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3hfa s VAL 312 CO 0.00 -0.39 -0.15 0.54 -3.33 0.00 0.00 175.10 171.78 3hfa s VAL 313 N -1.62 1.16 -0.02 2.04 0.11 -0.13 -1.05 120.40 120.89 3hfa s VAL 313 Ca -0.13 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 3hfa s VAL 313 Cb -0.06 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3hfa s VAL 313 CO 0.01 0.11 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.50 3hfa s MET 314 N -0.93 0.79 0.02 1.54 1.75 -0.07 -1.16 119.30 121.24 3hfa s MET 314 Ca 0.03 -0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.25 3hfa s MET 314 Cb -0.07 -0.76 -0.02 0.00 2.84 0.00 0.00 34.83 36.82 3hfa s MET 314 CO 0.01 0.07 -0.04 0.00 -0.65 0.00 0.00 175.02 174.40 3hfa s ALA 315 N 0.29 0.26 0.03 4.11 0.00 -0.29 -0.36 121.76 125.80 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 -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3hfa s ALA 315 CO 0.00 -0.08 -0.03 0.20 0.00 0.00 0.00 175.76 175.85 3hfa s GLY 316 N -1.23 0.33 0.55 0.00 0.00 -0.24 -0.93 107.32 105.81 3hfa s GLY 316 Ca -0.11 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 3hfa s GLY 316 CO -0.00 -0.86 0.72 2.09 0.00 0.00 0.00 173.10 175.05 3hfa n ASP 317 N 1.17 -0.09 0.00 1.64 5.75 -1.01 -1.72 116.55 122.30 3hfa n ASP 317 Ca -0.21 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hfa n ASP 317 Cb 0.57 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.62 0.02 -3.35 0.11 5.12 -1.26 -4.51 116.66 110.16 3hfa n ARG 318 Ca 0.09 -0.71 -0.35 0.00 -1.93 0.00 0.00 57.85 54.95 3hfa n ARG 318 Cb 0.32 -0.97 -0.06 0.00 -1.16 0.00 0.00 32.46 30.60 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 -0.24 3.97 0.03 5.56 3.52 -1.26 -1.25 118.95 129.28 3hfa s ARG 319 Ca 0.00 0.48 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 3hfa s ARG 319 Cb 0.00 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 3hfa s ARG 319 CO 0.00 0.46 -0.13 -1.54 -0.81 0.00 0.00 175.30 173.27 3hfa s SER 320 N -1.78 1.55 0.09 -2.12 1.04 -0.80 -4.68 113.70 107.01 3hfa s SER 320 Ca 0.39 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.48 3hfa s SER 320 Cb -0.15 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 3hfa s SER 320 CO 0.19 0.04 -0.17 0.42 0.98 0.00 0.00 173.24 174.70 3hfa s THR 321 N -0.76 1.43 -0.43 2.02 -4.23 -1.26 -0.19 115.64 112.23 3hfa s THR 321 Ca 0.02 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3hfa s THR 321 Cb -0.07 -1.35 0.12 0.00 1.34 0.00 0.00 72.50 72.53 3hfa s THR 321 CO 0.01 -0.16 0.16 -1.58 -0.54 0.00 0.00 174.62 172.51 3hfa s GLN 322 N -1.91 1.76 7.83 3.99 0.74 0.21 -4.83 119.66 127.44 3hfa s GLN 322 Ca 0.03 -2.21 0.00 0.00 0.05 0.00 0.00 55.36 53.23 3hfa s GLN 322 Cb -0.10 -3.30 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 0.00 175.29 174.16 3hfa n GLY 323 N 3.77 3.35 0.15 2.59 0.00 -1.26 -2.23 105.19 111.56 3hfa n GLY 323 Ca 0.04 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.47 115.58 110.52 3hfa h ASN 324 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3hfa h ASN 324 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hfa h ASN 324 CO 0.00 0.16 0.47 -0.04 -1.65 0.00 0.00 177.43 176.37 3hfa s MET 325 N -3.19 4.58 -0.27 0.81 -1.94 -0.95 -4.98 119.30 113.36 3hfa s MET 325 Ca 0.02 1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 55.41 3hfa s MET 325 Cb 0.08 -3.29 -0.00 0.00 2.01 0.00 0.00 34.83 33.62 3hfa s MET 325 CO 0.75 0.05 1.28 0.42 -0.01 0.00 0.00 175.02 177.51 3hfa s ILE 326 N -0.08 4.20 -0.86 2.53 1.01 -1.26 -0.62 121.20 126.11 3hfa s ILE 326 Ca 0.50 1.38 0.15 0.00 0.00 0.00 0.00 60.65 62.68 3hfa s ILE 326 Cb -0.29 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 37.91 3hfa s ILE 326 CO 0.34 -0.40 0.69 -1.54 0.00 0.00 0.00 174.94 174.03 3hfa n SER 327 N 7.36 0.89 -3.57 3.58 3.41 0.74 -4.91 113.62 121.12 3hfa n SER 327 Ca 0.14 -0.95 -0.14 0.00 -0.26 0.00 0.00 58.87 57.67 3hfa n SER 327 Cb 0.46 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.36 -0.42 0.00 5.00 0.00 -0.96 -4.90 107.32 103.68 3hfa s GLY 328 Ca 0.07 1.80 0.00 0.00 0.00 0.00 0.00 44.72 46.59 3hfa s GLY 328 CO 0.59 1.17 0.27 0.54 0.00 0.00 0.00 173.10 175.67 3hfa n ARG 329 N 1.18 0.23 -0.41 2.90 1.74 -1.25 -1.90 116.66 119.16 3hfa n ARG 329 Ca -0.15 -0.27 0.02 0.00 -0.77 0.00 0.00 57.85 56.68 3hfa n ARG 329 Cb 0.57 -0.74 0.03 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.11 0.47 -4.76 0.55 5.68 -1.01 -4.66 116.55 112.72 3hfa n ASP 330 Ca 0.00 -2.21 -0.41 0.00 -0.50 0.00 0.00 54.79 51.66 3hfa n ASP 330 Cb 0.07 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 39.80 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 -0.29 1.51 -3.96 2.12 0.31 -0.38 -4.98 118.33 112.65 3hfa n VAL 331 Ca 0.03 -0.38 -0.35 0.00 -0.01 0.00 0.00 64.34 63.63 3hfa n VAL 331 Cb 0.69 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.53 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 -1.30 3.64 0.00 5.55 0.52 -1.26 -4.26 118.95 121.85 3hfa s ARG 332 Ca 0.59 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 3hfa s ARG 332 Cb -0.49 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 31.82 3hfa s ARG 332 CO 0.56 -0.04 0.36 1.63 0.02 0.00 0.00 175.30 177.83 3hfa n LYS 333 N 4.43 2.84 -3.96 3.54 5.02 -1.26 -4.94 118.16 123.82 3hfa n LYS 333 Ca -0.17 -0.34 -0.34 0.00 -2.02 0.00 0.00 58.31 55.44 3hfa n LYS 333 Cb 0.52 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.53 3hfa n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hfa s VAL 334 N -0.81 2.89 -0.07 -0.18 1.01 -1.26 -2.59 120.40 119.40 3hfa s VAL 334 Ca 0.03 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 334 Cb 0.03 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3hfa s VAL 334 CO 0.09 0.27 -0.20 -0.31 0.00 0.00 0.00 175.10 174.95 3hfa s TYR 335 N 1.35 2.57 -0.12 5.22 2.02 0.16 -4.96 117.35 123.60 3hfa s TYR 335 Ca 0.02 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 3hfa s TYR 335 Cb -0.16 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3hfa s TYR 335 CO -0.05 -0.12 1.25 0.42 -1.57 0.00 0.00 175.55 175.48 3hfa s ILE 336 N -0.20 4.24 -0.04 2.71 1.01 -1.26 -0.31 121.20 127.36 3hfa s ILE 336 Ca -0.02 1.53 0.15 0.00 0.00 0.00 0.00 60.65 62.32 3hfa s ILE 336 Cb -0.13 -3.99 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 3hfa s ILE 336 CO 0.03 -0.09 0.31 0.35 0.00 0.00 0.00 174.94 175.54 3hfa n THR 337 N 5.09 0.13 -3.21 2.92 -2.24 -0.47 -4.93 114.28 111.57 3hfa n THR 337 Ca 0.13 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 3hfa n THR 337 Cb 0.45 0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.11 -0.56 0.20 3.42 5.75 -1.18 -4.45 116.55 117.63 3hfa n ASP 338 Ca -0.06 -1.39 0.17 0.00 -0.01 0.00 0.00 54.79 53.50 3hfa n ASP 338 Cb 0.49 0.93 0.82 0.00 -1.03 0.00 0.00 41.12 42.33 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 0.49 0.00 0.00 -1.12 3.32 -1.96 -3.03 116.42 114.12 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3hfa h ASP 339 CO 0.10 0.00 -0.19 -1.22 -1.72 0.00 0.00 179.24 176.21 3hfa n TYR 340 N -3.80 0.00 -3.90 4.55 4.01 -1.26 0.24 117.16 116.99 3hfa n TYR 340 Ca 0.02 -0.49 -0.11 0.00 -0.16 0.00 0.00 57.90 57.16 3hfa n TYR 340 Cb 0.33 -0.09 -0.10 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.37 0.09 0.03 -0.72 -4.23 -1.14 -1.16 115.64 107.14 3hfa s THR 341 Ca 0.14 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3hfa s THR 341 Cb 0.12 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.53 3hfa s THR 341 CO 0.01 -0.42 -0.07 0.00 -0.54 0.00 0.00 174.62 173.61 3hfa s ALA 342 N -1.46 0.50 -0.08 3.99 0.00 0.56 -1.37 121.76 123.91 3hfa s ALA 342 Ca -0.15 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3hfa s ALA 342 Cb -0.08 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3hfa s ALA 342 CO 0.01 -0.01 -0.19 0.99 0.00 0.00 0.00 175.76 176.56 3hfa s THR 343 N -1.13 1.63 -0.08 0.00 2.01 0.58 -1.23 115.64 117.42 3hfa s THR 343 Ca -0.08 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.17 3hfa s THR 343 Cb -0.08 -1.42 -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 0.38 1.46 -0.07 4.40 0.00 -0.37 -0.66 107.32 112.46 3hfa s GLY 344 Ca -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3hfa s GLY 344 CO 0.06 -0.53 -0.09 -0.42 0.00 0.00 0.00 173.10 172.12 3hfa s ILE 345 N -0.18 0.93 -0.02 0.90 1.01 -1.07 0.55 121.20 123.32 3hfa s ILE 345 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3hfa s ILE 345 Cb -0.13 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3hfa s ILE 345 CO 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 3hfa s ALA 346 N 0.93 3.25 0.00 9.38 0.00 -0.67 -4.95 121.76 129.71 3hfa s ALA 346 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3hfa s ALA 346 Cb -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3hfa s ALA 346 CO 0.01 0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3hfa n GLY 347 N 1.61 0.54 3.70 0.00 0.00 -1.26 -0.65 105.19 109.13 3hfa n GLY 347 Ca -0.16 -2.21 -0.58 0.00 0.00 0.00 0.00 46.02 43.07 3hfa n GLY 347 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hfa n THR 348 N 0.86 0.28 -0.01 2.61 -1.04 0.01 -4.83 114.28 112.16 3hfa n THR 348 Ca 0.00 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.86 3hfa n THR 348 Cb 0.00 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 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 7.32 -0.14 -0.77 2.41 0.00 -1.96 -0.23 119.26 125.89 3hfa h ALA 349 Ca -0.45 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 349 Cb 1.32 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 3hfa h ALA 349 CO 0.97 -0.66 0.42 0.00 0.00 0.00 0.00 179.25 179.98 3hfa h ALA 350 N 0.76 1.09 -0.32 0.00 0.00 -2.00 -1.54 119.26 117.25 3hfa h ALA 350 Ca 0.11 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 350 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hfa h ALA 350 CO -0.30 0.02 -0.48 0.28 0.00 0.00 0.00 179.25 178.77 3hfa h VAL 351 N 0.69 1.28 -0.08 0.00 2.07 -1.73 -2.77 116.25 115.71 3hfa h VAL 351 Ca 0.38 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3hfa h VAL 351 Cb 0.38 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3hfa h VAL 351 CO -0.26 0.55 0.02 0.00 0.02 0.00 0.00 177.57 177.89 3hfa h ALA 352 N 0.76 0.08 -0.56 1.67 0.00 -0.40 -0.98 119.26 119.82 3hfa h ALA 352 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 352 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3hfa h ALA 352 CO 0.11 -0.45 0.23 0.28 0.00 0.00 0.00 179.25 179.42 3hfa h VAL 353 N 0.06 1.22 -0.25 0.00 2.07 -1.35 -2.13 116.25 115.87 3hfa h VAL 353 Ca 0.03 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3hfa h VAL 353 Cb 0.02 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3hfa h VAL 353 CO -0.04 0.26 -0.06 -0.33 0.02 0.00 0.00 177.57 177.43 3hfa h GLU 354 N 0.76 0.01 0.21 1.57 5.08 -1.30 -1.23 114.58 119.68 3hfa h GLU 354 Ca 0.19 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3hfa h GLU 354 Cb 0.19 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3hfa h GLU 354 CO -0.02 0.00 -0.40 0.74 -1.00 0.00 0.00 179.01 178.34 3hfa h PHE 355 N 0.01 -1.11 -0.42 4.33 0.04 -0.88 0.10 116.94 119.01 3hfa h PHE 355 Ca 0.12 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.94 3hfa h PHE 355 Cb 0.18 0.46 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3hfa h PHE 355 CO -0.25 -0.52 0.22 0.00 -0.60 0.00 0.00 178.31 177.17 3hfa h ALA 356 N -0.22 0.52 0.08 2.45 0.00 -1.23 0.95 119.26 121.81 3hfa h ALA 356 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 356 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hfa h ALA 356 CO -0.18 -0.13 -0.04 -0.09 0.00 0.00 0.00 179.25 178.81 3hfa h ARG 357 N 0.45 -0.11 -0.64 0.00 2.43 -1.06 -2.15 114.38 113.30 3hfa h ARG 357 Ca 0.17 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 357 Cb 0.06 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3hfa h ARG 357 CO -0.11 0.25 0.15 1.25 -1.51 0.00 0.00 179.97 180.00 3hfa h LEU 358 N -0.48 0.97 -0.40 3.80 5.85 -0.68 -2.19 115.31 122.19 3hfa h LEU 358 Ca -0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3hfa h LEU 358 Cb 0.41 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3hfa h LEU 358 CO 0.02 0.96 0.22 0.22 -0.34 0.00 0.00 178.44 179.51 3hfa h TYR 359 N 0.94 0.54 -0.82 1.25 3.20 -0.82 0.84 116.97 122.10 3hfa h TYR 359 Ca 0.20 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3hfa h TYR 359 Cb 0.37 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3hfa h TYR 359 CO 0.03 0.41 0.47 0.00 -1.64 0.00 0.00 178.16 177.43 3hfa h ALA 360 N 1.08 1.05 -0.43 1.82 0.00 -1.25 -1.30 119.26 120.23 3hfa h ALA 360 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 360 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hfa h ALA 360 CO -0.02 0.55 0.24 0.28 0.00 0.00 0.00 179.25 180.30 3hfa h VAL 361 N 1.14 1.15 -0.75 0.00 2.07 -0.95 -2.71 116.25 116.20 3hfa h VAL 361 Ca 0.29 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hfa h VAL 361 Cb 0.00 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3hfa h VAL 361 CO -0.05 0.16 0.34 -0.08 0.02 0.00 0.00 177.57 177.96 3hfa h GLU 362 N 0.57 1.10 -0.25 1.57 4.81 -0.36 0.12 114.58 122.14 3hfa h GLU 362 Ca 0.15 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3hfa h GLU 362 Cb 0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3hfa h GLU 362 CO -0.03 0.87 0.13 -0.07 -0.73 0.00 0.00 179.01 179.19 3hfa h LEU 363 N 1.07 0.31 -0.61 1.64 4.07 -1.15 -1.96 115.31 118.68 3hfa h LEU 363 Ca 0.26 -0.10 -0.13 0.00 0.08 0.00 0.00 57.88 57.98 3hfa h LEU 363 Cb 0.15 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3hfa h LEU 363 CO -0.03 0.32 -0.64 -0.08 -1.08 0.00 0.00 178.44 176.93 3hfa h GLU 364 N 0.28 0.00 -0.25 1.13 4.81 -1.28 -2.64 114.58 116.63 3hfa h GLU 364 Ca 0.09 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3hfa h GLU 364 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hfa h GLU 364 CO -0.01 0.64 0.15 1.25 -0.73 0.00 0.00 179.01 180.31 3hfa h HIS 365 N 0.00 0.29 -0.60 0.92 2.76 -0.54 -0.72 115.15 117.26 3hfa h HIS 365 Ca -0.01 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 3hfa h HIS 365 Cb 1.21 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.04 3hfa h HIS 365 CO 0.00 0.18 0.23 -0.92 -1.30 0.00 0.00 177.93 176.12 3hfa h TYR 366 N 0.32 0.93 -0.39 5.26 3.20 -1.25 -1.22 116.97 123.82 3hfa h TYR 366 Ca 0.09 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hfa h TYR 366 Cb -0.02 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3hfa h TYR 366 CO -0.07 0.75 0.22 1.49 -1.64 0.00 0.00 178.16 178.91 3hfa h GLU 367 N 0.84 0.54 -0.51 1.82 4.81 -1.22 0.20 114.58 121.07 3hfa h GLU 367 Ca 0.20 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3hfa h GLU 367 Cb 0.22 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3hfa h GLU 367 CO -0.01 0.43 -0.07 0.87 -0.73 0.00 0.00 179.01 179.50 3hfa h LYS 368 N 0.50 0.92 -0.18 1.92 1.57 -0.99 0.24 116.57 120.55 3hfa h LYS 368 Ca 0.14 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3hfa h LYS 368 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hfa h LYS 368 CO -0.02 0.95 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.48 3hfa h LEU 369 N 0.83 0.54 -0.05 2.94 3.38 -0.99 -3.34 115.31 118.62 3hfa h LEU 369 Ca 0.14 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hfa h LEU 369 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hfa h LEU 369 CO 0.04 0.95 -0.87 -0.62 0.09 0.00 0.00 178.44 178.03 3hfa n GLU 370 N -4.40 0.06 -0.29 1.13 -0.58 0.04 -4.98 120.64 111.63 3hfa n GLU 370 Ca -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3hfa n GLU 370 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.49 2.02 3.03 0.62 0.00 0.84 -4.99 105.19 108.21 3hfa n GLY 371 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -3.14 0.11 0.58 1.61 0.11 -1.19 -4.97 120.40 113.50 3hfa s VAL 372 Ca 0.00 -0.90 -0.17 0.00 -2.93 0.00 0.00 61.98 57.98 3hfa s VAL 372 Cb 0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 3hfa s VAL 372 CO 0.00 -0.50 1.06 -2.84 -3.33 0.00 0.00 175.10 169.50 3hfa s PRO 373 N -1.61 3.36 0.56 1.54 0.02 -1.26 -3.98 135.00 133.62 3hfa s PRO 373 Ca -0.14 1.26 -0.20 0.00 0.02 0.00 0.00 61.00 61.94 3hfa s PRO 373 Cb -0.08 -2.04 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3hfa s PRO 373 CO -0.01 -0.78 0.96 1.28 -0.33 0.00 0.00 177.00 178.12 3hfa n LEU 374 N -1.85 3.35 -4.67 -5.54 4.32 -1.26 -4.99 117.00 106.35 3hfa n LEU 374 Ca 0.09 0.86 -0.30 0.00 -0.02 0.00 0.00 56.01 56.64 3hfa n LEU 374 Cb 0.53 -1.38 0.16 0.00 -1.62 0.00 0.00 43.42 41.11 3hfa n LEU 374 CO 0.46 -1.80 0.65 0.42 -1.22 0.00 0.00 177.39 175.89 3hfa s THR 375 N -1.47 2.48 0.23 -5.08 -4.23 -1.26 -4.79 115.64 101.51 3hfa s THR 375 Ca 0.72 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 3hfa s THR 375 Cb -0.45 -2.47 0.20 0.00 1.34 0.00 0.00 72.50 71.13 3hfa s THR 375 CO 0.50 -0.20 1.89 0.15 -0.54 0.00 0.00 174.62 176.41 3hfa h PHE 376 N -1.78 1.13 -0.68 3.99 3.57 -1.98 -1.44 116.94 119.75 3hfa h PHE 376 Ca -0.50 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.10 3hfa h PHE 376 Cb 1.29 -0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 3hfa h PHE 376 CO 0.42 0.73 0.33 0.00 -2.23 0.00 0.00 178.31 177.56 3hfa h ALA 377 N 1.30 0.93 -0.66 2.41 0.00 -2.00 -1.04 119.26 120.22 3hfa h ALA 377 Ca 0.32 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hfa h ALA 377 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hfa h ALA 377 CO -0.06 -0.07 0.43 0.78 0.00 0.00 0.00 179.25 180.32 3hfa h GLY 378 N 0.57 0.93 1.01 0.00 0.00 -1.69 -0.78 103.07 103.10 3hfa h GLY 378 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hfa h GLY 378 CO -0.27 0.35 0.48 0.50 0.00 0.00 0.00 176.54 177.60 3hfa h LYS 379 N 0.89 1.01 -0.23 4.80 1.57 -0.59 -1.18 116.57 122.84 3hfa h LYS 379 Ca 0.24 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3hfa h LYS 379 Cb -0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 3hfa h LYS 379 CO -0.05 0.69 0.11 0.82 -0.57 0.00 0.00 179.45 180.45 3hfa h ILE 380 N 1.03 0.99 -0.55 1.86 2.04 -0.81 -2.46 117.51 119.61 3hfa h ILE 380 Ca 0.28 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3hfa h ILE 380 Cb -0.09 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3hfa h ILE 380 CO -0.06 0.04 0.36 -1.13 0.00 0.00 0.00 178.15 177.37 3hfa h ASN 381 N 0.24 0.61 -0.60 1.72 -1.24 -0.70 -1.04 115.58 114.57 3hfa h ASN 381 Ca 0.09 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 3hfa h ASN 381 Cb 0.03 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3hfa h ASN 381 CO -0.07 0.44 0.12 0.03 -1.29 0.00 0.00 177.43 176.66 3hfa h ARG 382 N 0.72 0.98 -0.41 6.67 2.47 -1.13 0.08 114.38 123.77 3hfa h ARG 382 Ca 0.21 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3hfa h ARG 382 Cb -0.06 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 3hfa h ARG 382 CO -0.06 0.91 0.20 1.25 0.56 0.00 0.00 179.97 182.83 3hfa h LEU 383 N 0.89 0.53 -0.33 3.04 5.85 -1.19 -1.17 115.31 122.93 3hfa h LEU 383 Ca 0.18 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3hfa h LEU 383 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3hfa h LEU 383 CO 0.01 0.51 0.17 0.00 -0.34 0.00 0.00 178.44 178.79 3hfa h ALA 384 N 1.04 0.40 -0.62 1.25 0.00 -0.79 -0.96 119.26 119.60 3hfa h ALA 384 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 384 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hfa h ALA 384 CO -0.02 -0.20 0.40 0.82 0.00 0.00 0.00 179.25 180.25 3hfa h ILE 385 N 0.35 1.12 -0.57 0.00 2.04 -0.88 0.25 117.51 119.83 3hfa h ILE 385 Ca 0.13 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3hfa h ILE 385 Cb 0.04 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3hfa h ILE 385 CO -0.08 0.14 0.35 -0.03 0.00 0.00 0.00 178.15 178.53 3hfa h MET 386 N 0.79 0.67 -0.40 2.37 4.05 -0.78 -1.06 114.93 120.57 3hfa h MET 386 Ca 0.24 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 3hfa h MET 386 Cb -0.04 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 3hfa h MET 386 CO -0.07 0.44 0.17 0.28 0.23 0.00 0.00 176.91 177.96 3hfa h VAL 387 N 0.69 1.19 -0.81 -5.77 2.07 -0.61 -2.46 116.25 110.53 3hfa h VAL 387 Ca 0.23 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3hfa h VAL 387 Cb 0.02 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hfa h VAL 387 CO -0.10 0.20 0.53 -0.09 0.02 0.00 0.00 177.57 178.14 3hfa h ARG 388 N 0.50 0.94 -0.06 1.57 2.43 -0.63 -0.72 114.38 118.41 3hfa h ARG 388 Ca 0.13 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 388 Cb 0.16 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3hfa h ARG 388 CO -0.01 0.62 0.14 0.78 -1.51 0.00 0.00 179.97 179.98 3hfa h GLY 389 N 0.97 0.00 -1.63 2.80 0.00 -0.71 -1.21 103.07 103.28 3hfa h GLY 389 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3hfa h GLY 389 CO -0.10 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.43 3hfa n ASN 390 N -3.39 2.69 -0.11 0.19 5.15 -0.28 -4.54 115.26 114.97 3hfa n ASN 390 Ca -0.01 -1.87 -0.05 0.00 -0.60 0.00 0.00 54.58 52.04 3hfa n ASN 390 Cb 0.22 -0.10 0.01 0.00 -0.53 0.00 0.00 39.78 39.39 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 3.85 -0.28 -0.06 1.20 5.85 -1.19 0.27 115.31 124.96 3hfa h LEU 391 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 391 Cb 0.83 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3hfa h LEU 391 CO 0.00 -0.10 -0.17 0.00 -0.34 0.00 0.00 178.44 177.83 3hfa h ALA 392 N 1.35 -0.16 -0.98 1.25 0.00 -1.81 0.64 119.26 119.55 3hfa h ALA 392 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3hfa h ALA 392 Cb 0.27 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3hfa h ALA 392 CO -0.35 -0.65 0.64 0.00 0.00 0.00 0.00 179.25 178.89 3hfa h ALA 393 N 0.72 1.31 -0.72 0.00 0.00 -1.74 -2.49 119.26 116.34 3hfa h ALA 393 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 393 Cb 0.35 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hfa h ALA 393 CO -0.20 0.51 0.36 0.00 0.00 0.00 0.00 179.25 179.92 3hfa h ALA 394 N 1.41 1.27 0.00 0.00 0.00 0.70 0.33 119.26 122.97 3hfa h ALA 394 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hfa h ALA 394 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hfa h ALA 394 CO -0.13 0.57 0.00 0.52 0.00 0.00 0.00 179.25 180.21 3hfa h MET 395 N 1.02 0.00 -0.34 0.00 2.86 -0.47 -0.82 114.93 117.18 3hfa h MET 395 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3hfa h MET 395 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hfa h MET 395 CO -0.03 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.98 3hfa n GLN 396 N -2.48 2.14 0.00 1.72 1.13 0.01 -4.93 117.38 114.97 3hfa n GLN 396 Ca 0.01 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 3hfa n GLN 396 Cb 0.21 -1.44 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 1.32 0.40 2.54 1.08 0.00 -0.31 -4.99 105.19 105.23 3hfa n GLY 397 Ca 0.18 0.00 -0.40 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 7.83 -4.75 0.99 4.77 -0.63 -4.87 117.00 120.34 3hfa n LEU 398 Ca 0.00 -4.90 -0.36 0.00 -0.03 0.00 0.00 56.01 50.71 3hfa n LEU 398 Cb 0.00 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 39.66 3hfa n LEU 398 CO 0.00 1.98 -0.05 -0.22 -1.33 0.00 0.00 177.39 177.77 3hfa s LEU 399 N -2.07 4.26 -0.05 2.23 2.96 -1.26 -3.68 118.68 121.07 3hfa s LEU 399 Ca 0.51 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.86 3hfa s LEU 399 Cb 0.17 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3hfa s LEU 399 CO -0.08 0.15 0.13 0.00 -1.32 0.00 0.00 176.35 175.22 3hfa s ALA 400 N 0.25 -0.30 -0.11 5.97 0.00 -1.26 -0.81 121.76 125.50 3hfa s ALA 400 Ca 0.15 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3hfa s ALA 400 Cb -0.13 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3hfa s ALA 400 CO 0.03 -0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 175.01 3hfa s LEU 401 N 0.24 1.94 0.42 0.00 1.43 0.18 -4.94 118.68 117.96 3hfa s LEU 401 Ca -0.01 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 3hfa s LEU 401 Cb -0.03 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 3hfa s LEU 401 CO -0.01 0.07 0.77 -2.16 0.23 0.00 0.00 176.35 175.26 3hfa s PRO 402 N 0.75 3.73 -0.09 1.29 0.05 -1.26 -1.66 135.00 137.80 3hfa s PRO 402 Ca -0.10 0.42 0.04 0.00 0.05 0.00 0.00 61.00 61.40 3hfa s PRO 402 Cb -0.16 -2.39 0.00 0.00 0.05 0.00 0.00 34.50 32.01 3hfa s PRO 402 CO 0.01 -0.07 -0.21 -1.17 0.05 0.00 0.00 177.00 175.61 3hfa s LEU 403 N -4.02 1.99 -0.17 -3.56 2.96 0.19 -3.69 118.68 112.38 3hfa s LEU 403 Ca 0.50 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3hfa s LEU 403 Cb -0.10 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3hfa s LEU 403 CO 0.34 0.13 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.24 3hfa s LEU 404 N 0.42 3.15 -0.03 -0.68 2.96 0.12 -1.24 118.68 123.37 3hfa s LEU 404 Ca -0.18 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3hfa s LEU 404 Cb -0.17 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hfa s LEU 404 CO 0.08 0.13 -0.23 0.00 -1.32 0.00 0.00 176.35 175.01 3hfa s ALA 405 N 0.59 1.95 0.25 5.97 0.00 -0.37 -0.27 121.76 129.88 3hfa s ALA 405 Ca -0.03 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 3hfa s ALA 405 Cb -0.14 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3hfa s ALA 405 CO 0.03 0.45 0.60 0.20 0.00 0.00 0.00 175.76 177.03 3hfa s GLY 406 N -0.43 0.10 -0.18 0.00 0.00 -0.02 -0.33 107.32 106.45 3hfa s GLY 406 Ca 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3hfa s GLY 406 CO 0.00 -0.29 -0.13 -0.47 0.00 0.00 0.00 173.10 172.21 3hfa s TYR 407 N -3.94 2.45 -0.57 1.90 5.04 -0.31 0.29 117.35 122.22 3hfa s TYR 407 Ca 0.14 -1.52 -0.25 0.00 -2.44 0.00 0.00 57.07 53.00 3hfa s TYR 407 Cb -0.03 -1.69 0.04 0.00 0.35 0.00 0.00 41.96 40.63 3hfa s TYR 407 CO 0.05 -0.74 1.00 0.34 -1.34 0.00 0.00 175.55 174.86 3hfa s ASP 408 N 1.39 6.34 0.52 4.32 2.15 0.13 -4.88 116.67 126.65 3hfa s ASP 408 Ca 0.01 -0.31 0.35 0.00 0.43 0.00 0.00 52.55 53.03 3hfa s ASP 408 Cb -0.15 -2.46 1.63 0.00 -0.30 0.00 0.00 42.92 41.64 3hfa s ASP 408 CO -0.10 -1.31 2.04 0.16 -0.17 0.00 0.00 175.17 175.79 3hfa h ILE 409 N 6.04 0.00 -0.02 4.11 3.07 -1.97 -2.16 117.51 126.59 3hfa h ILE 409 Ca -0.26 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.88 3hfa h ILE 409 Cb 1.07 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3hfa h ILE 409 CO 1.12 0.00 -0.10 1.41 -1.05 0.00 0.00 178.15 179.53 3hfa n HIS 410 N -2.88 0.00 -2.08 0.16 8.25 -1.26 -4.95 115.22 112.45 3hfa n HIS 410 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 3hfa n HIS 410 Cb 0.20 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.15 2.72 0.02 -1.41 0.00 -0.81 -4.96 121.76 115.17 3hfa s ALA 411 Ca 0.31 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3hfa s ALA 411 Cb 0.20 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 3hfa s ALA 411 CO 0.39 -1.00 1.35 0.77 0.00 0.00 0.00 175.76 177.27 3hfa h SER 412 N 1.33 -0.30 -3.32 0.00 0.02 -1.92 -3.40 113.55 105.95 3hfa h SER 412 Ca -0.50 -0.17 -0.73 0.00 -0.84 0.00 0.00 61.79 59.55 3hfa h SER 412 Cb 1.28 0.08 -0.25 0.00 0.14 0.00 0.00 62.40 63.64 3hfa h SER 412 CO 0.57 0.01 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.29 3hfa s ASP 413 N -5.10 5.94 0.59 3.07 2.15 -1.26 -4.96 116.67 117.11 3hfa s ASP 413 Ca -0.15 -1.53 0.29 0.00 0.43 0.00 0.00 52.55 51.59 3hfa s ASP 413 Cb 0.03 -2.10 1.69 0.00 -0.30 0.00 0.00 42.92 42.23 3hfa s ASP 413 CO 0.58 -0.65 2.13 -0.65 -0.17 0.00 0.00 175.17 176.41 3hfa h PRO 414 N 8.63 0.00 -0.40 4.34 0.11 -1.95 -1.51 132.00 141.22 3hfa h PRO 414 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 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 0.86 0.00 0.08 1.96 -0.21 0.00 0.00 178.00 180.70 3hfa h GLN 415 N 0.00 0.59 -0.04 1.05 1.08 -1.92 -3.15 115.11 112.72 3hfa h GLN 415 Ca 0.07 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3hfa h GLN 415 Cb 0.39 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3hfa h GLN 415 CO -0.00 0.55 -0.36 -1.13 -0.95 0.00 0.00 178.83 176.94 3hfa n SER 416 N -4.32 1.94 -0.00 1.46 3.41 -0.61 -0.69 113.62 114.82 3hfa n SER 416 Ca 0.02 -3.73 0.15 0.00 -0.26 0.00 0.00 58.87 55.05 3hfa n SER 416 Cb 0.20 -0.52 0.77 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.17 2.51 -1.77 7.33 0.00 -0.98 -4.82 120.51 121.61 3hfa n ALA 417 Ca 0.20 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3hfa n ALA 417 Cb 0.72 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.53 2.94 -0.02 0.00 0.00 -1.26 -0.69 107.32 105.76 3hfa s GLY 418 Ca 0.30 1.34 0.02 0.00 0.00 0.00 0.00 44.72 46.39 3hfa s GLY 418 CO 0.45 1.96 -0.09 0.50 0.00 0.00 0.00 173.10 175.93 3hfa s ARG 419 N -2.20 0.83 -0.09 2.90 1.81 0.14 -4.90 118.95 117.44 3hfa s ARG 419 Ca 0.56 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 3hfa s ARG 419 Cb -0.41 -0.79 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 3hfa s ARG 419 CO 0.53 0.14 -0.10 0.42 -0.68 0.00 0.00 175.30 175.60 3hfa s ILE 420 N 0.05 1.12 -0.07 1.52 1.01 -1.26 -0.84 121.20 122.73 3hfa s ILE 420 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3hfa s ILE 420 Cb -0.06 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.35 3hfa s ILE 420 CO 0.00 0.37 -0.14 -0.69 0.00 0.00 0.00 174.94 174.48 3hfa s VAL 421 N 1.16 1.24 0.23 2.92 1.01 0.63 -0.15 120.40 127.44 3hfa s VAL 421 Ca -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3hfa s VAL 421 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3hfa s VAL 421 CO -0.02 0.38 0.18 -0.94 0.00 0.00 0.00 175.10 174.70 3hfa s SER 422 N 0.63 5.53 0.01 3.32 1.04 -0.49 -0.71 113.70 123.04 3hfa s SER 422 Ca -0.15 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.08 3hfa s SER 422 Cb -0.16 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.53 3hfa s SER 422 CO 0.04 -0.01 -0.07 -0.36 0.98 0.00 0.00 173.24 173.82 3hfa s PHE 423 N -2.05 0.62 0.48 5.02 0.08 -1.24 -0.94 117.98 119.94 3hfa s PHE 423 Ca 0.32 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.22 3hfa s PHE 423 Cb -0.08 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 3hfa s PHE 423 CO 0.25 -0.03 0.54 0.16 -0.10 0.00 0.00 175.22 176.04 3hfa s ASP 424 N -0.64 5.17 0.49 1.36 1.47 -0.10 -4.71 116.67 119.71 3hfa s ASP 424 Ca -0.01 -0.76 0.33 0.00 1.18 0.00 0.00 52.55 53.29 3hfa s ASP 424 Cb -0.05 -0.22 1.57 0.00 -0.34 0.00 0.00 42.92 43.88 3hfa s ASP 424 CO 0.00 -0.93 1.99 0.00 0.68 0.00 0.00 175.17 176.92 3hfa h ALA 425 N 0.66 1.00 -0.35 2.11 0.00 -1.92 -1.94 119.26 118.83 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3hfa n ALA 426 N -1.98 2.44 -0.25 0.00 0.00 -1.26 -4.42 120.51 115.05 3hfa n ALA 426 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3hfa n ALA 426 Cb 0.18 -0.93 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 1.41 0.74 3.77 0.00 0.00 -0.73 -4.55 105.19 105.83 3hfa n GLY 427 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.60 2.90 0.07 -0.02 0.00 -1.25 -4.73 107.32 102.69 3hfa s GLY 428 Ca 0.00 1.20 0.04 0.00 0.00 0.00 0.00 44.72 45.96 3hfa s GLY 428 CO 0.00 1.77 -0.11 0.66 0.00 0.00 0.00 173.10 175.42 3hfa s TRP 429 N -1.30 0.97 -0.04 1.90 1.48 -1.26 -0.92 118.94 119.77 3hfa s TRP 429 Ca 0.59 -0.52 -0.01 0.00 -1.06 0.00 0.00 56.10 55.09 3hfa s TRP 429 Cb -0.37 -0.55 0.03 0.00 -1.16 0.00 0.00 33.47 31.42 3hfa s TRP 429 CO 0.47 -0.01 0.06 1.21 -4.06 0.00 0.00 176.95 174.62 3hfa s ASN 430 N -1.85 0.64 -0.37 -2.66 2.47 -0.12 -4.98 114.94 108.08 3hfa s ASN 430 Ca -0.03 0.10 -0.29 0.00 0.42 0.00 0.00 52.86 53.06 3hfa s ASN 430 Cb -0.08 -0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.68 3hfa s ASN 430 CO 0.01 -0.20 1.11 -0.63 -3.72 0.00 0.00 177.10 173.67 3hfa s ILE 431 N 1.73 4.38 0.17 -5.21 1.01 -1.26 -1.39 121.20 120.63 3hfa s ILE 431 Ca -0.01 1.54 -0.31 0.00 0.00 0.00 0.00 60.65 61.87 3hfa s ILE 431 Cb -0.12 -4.46 -0.09 0.00 0.01 0.00 0.00 42.46 37.80 3hfa s ILE 431 CO -0.03 -0.65 1.38 -0.70 0.00 0.00 0.00 174.94 174.94 3hfa s GLU 432 N 3.96 4.33 0.00 2.79 2.56 0.78 -4.93 118.70 128.19 3hfa s GLU 432 Ca 0.47 2.13 0.09 0.00 0.00 0.00 0.00 54.97 57.66 3hfa s GLU 432 Cb -0.11 -3.19 0.01 0.00 2.00 0.00 0.00 34.13 32.84 3hfa s GLU 432 CO 0.21 -0.38 0.61 0.39 -0.56 0.00 0.00 175.26 175.53 3hfa n GLU 433 N 3.17 1.83 -0.15 4.30 1.02 -1.26 -4.59 120.64 124.96 3hfa n GLU 433 Ca 0.09 -0.64 0.12 0.00 -0.02 0.00 0.00 57.16 56.71 3hfa n GLU 433 Cb 0.42 -1.06 0.20 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.14 2.47 0.00 3.49 1.02 -1.26 -4.97 120.64 121.24 3hfa n GLU 434 Ca 0.04 -2.20 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 3hfa n GLU 434 Cb 0.19 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.48 3.19 3.56 0.62 0.00 -1.26 -5.02 105.19 107.75 3hfa n GLY 435 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.81 -0.16 0.14 1.61 -0.85 -1.26 -0.36 117.35 113.67 3hfa s TYR 436 Ca 0.00 -0.19 -0.24 0.00 -0.52 0.00 0.00 57.07 56.12 3hfa s TYR 436 Cb 0.00 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.86 3hfa s TYR 436 CO 0.00 -0.96 0.74 -1.14 -1.52 0.00 0.00 175.55 172.68 3hfa s GLN 437 N -3.87 1.24 0.02 -3.49 2.00 -0.37 -4.95 119.66 110.24 3hfa s GLN 437 Ca 0.09 -0.54 -0.19 0.00 -2.00 0.00 0.00 55.36 52.72 3hfa s GLN 437 Cb -0.02 0.51 0.04 0.00 0.80 0.00 0.00 33.01 34.34 3hfa s GLN 437 CO -0.02 -0.55 0.42 0.00 -0.50 0.00 0.00 175.29 174.64 3hfa s ALA 438 N -3.55 -1.04 0.04 1.58 0.00 -1.26 -1.29 121.76 116.23 3hfa s ALA 438 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3hfa s ALA 438 Cb -0.02 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3hfa s ALA 438 CO -0.06 -0.41 -0.04 0.54 0.00 0.00 0.00 175.76 175.78 3hfa s VAL 439 N -2.15 0.26 0.00 0.00 0.11 -0.16 -4.89 120.40 113.57 3hfa s VAL 439 Ca -0.07 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 3hfa s VAL 439 Cb -0.02 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3hfa s VAL 439 CO 0.00 -0.59 0.00 0.61 -3.33 0.00 0.00 175.10 171.79 3hfa n GLY 440 N 1.20 1.20 0.33 6.54 0.00 -1.26 -1.05 105.19 112.15 3hfa n GLY 440 Ca -0.21 -2.21 0.20 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 -0.41 1.61 4.64 -1.18 -1.59 113.55 116.63 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 -1.19 2.51 0.27 -0.77 0.00 -1.14 -4.73 105.19 100.13 3hfa n GLY 442 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3hfa n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 443 N 2.58 0.40 -0.20 1.61 4.64 -1.53 -1.50 113.55 119.55 3hfa h SER 443 Ca 0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hfa h SER 443 Cb 0.78 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3hfa h SER 443 CO 0.00 0.45 0.12 -0.07 -0.87 0.00 0.00 176.83 176.47 3hfa h LEU 444 N 0.42 0.24 -0.77 5.97 4.07 -1.85 -0.62 115.31 122.77 3hfa h LEU 444 Ca 0.10 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 3hfa h LEU 444 Cb 0.26 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 3hfa h LEU 444 CO 0.00 0.20 0.05 -0.26 -1.08 0.00 0.00 178.44 177.35 3hfa h PHE 445 N 0.25 1.05 -0.51 1.13 0.04 -1.74 -0.66 116.94 116.51 3hfa h PHE 445 Ca 0.07 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 3hfa h PHE 445 Cb 0.00 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 3hfa h PHE 445 CO -0.05 0.92 -0.02 0.00 -0.60 0.00 0.00 178.31 178.55 3hfa h ALA 446 N 1.13 0.69 -0.18 2.45 0.00 -1.12 -1.76 119.26 120.46 3hfa h ALA 446 Ca 0.18 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 446 Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hfa h ALA 446 CO 0.02 0.52 -0.61 0.87 0.00 0.00 0.00 179.25 180.05 3hfa h LYS 447 N 0.78 0.60 0.00 0.00 1.57 -0.83 -0.27 116.57 118.42 3hfa h LYS 447 Ca 0.14 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3hfa h LYS 447 Cb 0.55 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3hfa h LYS 447 CO 0.03 1.03 -0.34 0.77 -0.57 0.00 0.00 179.45 180.37 3hfa h SER 448 N 0.45 0.00 -0.07 0.86 0.02 -1.06 -0.09 113.55 113.66 3hfa h SER 448 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3hfa h SER 448 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3hfa h SER 448 CO 0.12 0.34 -0.19 -1.28 -1.14 0.00 0.00 176.83 174.67 3hfa h SER 449 N 0.00 0.29 -0.21 3.07 0.87 -1.00 -3.25 113.55 113.32 3hfa h SER 449 Ca -0.00 -0.60 -0.05 0.00 -1.23 0.00 0.00 61.79 59.91 3hfa h SER 449 Cb 0.60 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3hfa h SER 449 CO 0.04 0.83 -0.02 0.24 -0.53 0.00 0.00 176.83 177.40 3hfa h MET 450 N -0.25 0.50 -1.00 2.24 2.07 -0.88 -1.47 114.93 116.15 3hfa h MET 450 Ca -0.00 -0.11 0.21 0.00 -2.07 0.00 0.00 59.70 57.73 3hfa h MET 450 Cb 0.80 -0.07 -0.10 0.00 -1.87 0.00 0.00 31.60 30.36 3hfa h MET 450 CO 0.04 0.54 0.62 -0.22 1.07 0.00 0.00 176.91 178.96 3hfa h LYS 451 N 0.48 0.62 0.00 1.72 3.64 -1.05 0.31 116.57 122.29 3hfa h LYS 451 Ca 0.10 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 3hfa h LYS 451 Cb 0.34 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3hfa h LYS 451 CO 0.01 0.41 -1.34 0.87 -2.27 0.00 0.00 179.45 177.13 3hfa h LYS 452 N 0.64 0.00 0.00 1.90 1.79 -1.34 -3.40 116.57 116.16 3hfa h LYS 452 Ca 0.58 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 3hfa h LYS 452 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3hfa h LYS 452 CO -0.35 0.55 -1.80 1.28 -1.08 0.00 0.00 179.45 178.04 3hfa n LEU 453 N -3.09 0.18 0.25 2.94 4.77 -0.71 -4.49 117.00 116.84 3hfa n LEU 453 Ca -0.09 -0.06 0.10 0.00 -0.03 0.00 0.00 56.01 55.93 3hfa n LEU 453 Cb 0.94 -0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.71 3hfa n LEU 453 CO 0.44 0.03 1.09 0.22 -1.33 0.00 0.00 177.39 177.84 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.63 -0.37 116.97 117.40 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 0.92 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3hfa h TYR 454 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 3hfa h SER 455 N 0.00 0.00 0.19 -2.11 4.64 -1.83 -0.77 113.55 113.67 3hfa h SER 455 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hfa h SER 455 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hfa h SER 455 CO -0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 3hfa n GLN 456 N -2.56 1.02 -2.92 4.77 6.02 -0.15 -4.82 117.38 118.75 3hfa n GLN 456 Ca -0.01 -0.48 -0.42 0.00 -0.01 0.00 0.00 57.00 56.08 3hfa n GLN 456 Cb 0.10 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.31 4.78 0.00 5.09 1.01 -0.30 -4.80 120.40 123.86 3hfa s VAL 457 Ca 0.32 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3hfa s VAL 457 Cb 0.20 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3hfa s VAL 457 CO 0.44 -0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.64 3hfa n THR 458 N 5.54 0.00 -3.81 3.92 -2.24 -1.26 -4.87 114.28 111.55 3hfa n THR 458 Ca 0.04 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 3hfa n THR 458 Cb 0.48 0.97 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.38 0.02 0.33 3.42 1.47 -1.26 -4.56 116.67 115.72 3hfa s ASP 459 Ca 0.00 -1.13 0.01 0.00 1.18 0.00 0.00 52.55 52.61 3hfa s ASP 459 Cb 0.00 0.82 0.58 0.00 -0.34 0.00 0.00 42.92 43.98 3hfa s ASP 459 CO 0.00 -1.64 2.00 1.23 0.68 0.00 0.00 175.17 177.44 3hfa h GLY 460 N 2.00 0.98 0.73 2.12 0.00 -1.95 0.33 103.07 107.29 3hfa h GLY 460 Ca -0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 3hfa h GLY 460 CO 0.41 0.35 -0.01 -1.80 0.00 0.00 0.00 176.54 175.49 3hfa h ASP 461 N 0.94 0.18 0.28 0.19 1.82 -1.99 0.43 116.42 118.27 3hfa h ASP 461 Ca 0.26 -0.34 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 3hfa h ASP 461 Cb -0.09 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 3hfa h ASP 461 CO -0.06 0.48 -0.55 0.77 -1.61 0.00 0.00 179.24 178.27 3hfa h SER 462 N -0.12 0.32 -0.50 2.28 4.64 -1.86 -1.81 113.55 116.50 3hfa h SER 462 Ca 0.03 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3hfa h SER 462 Cb 0.39 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3hfa h SER 462 CO 0.01 0.81 0.33 1.23 -0.87 0.00 0.00 176.83 178.34 3hfa h GLY 463 N 1.36 0.71 1.03 -0.77 0.00 -0.73 -0.65 103.07 104.02 3hfa h GLY 463 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3hfa h GLY 463 CO 0.09 0.26 0.26 -2.00 0.00 0.00 0.00 176.54 175.15 3hfa h LEU 464 N 0.68 0.98 -0.44 3.11 5.85 -0.66 -1.87 115.31 122.97 3hfa h LEU 464 Ca 0.18 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hfa h LEU 464 Cb -0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3hfa h LEU 464 CO -0.04 0.90 0.16 -0.09 -0.34 0.00 0.00 178.44 179.03 3hfa h ARG 465 N 1.00 0.67 -0.65 1.25 2.43 -0.90 -1.23 114.38 116.95 3hfa h ARG 465 Ca 0.23 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3hfa h ARG 465 Cb 0.24 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3hfa h ARG 465 CO -0.01 0.62 0.18 0.28 -1.51 0.00 0.00 179.97 179.53 3hfa h VAL 466 N 0.57 1.25 -0.39 0.20 2.07 -1.02 0.05 116.25 118.97 3hfa h VAL 466 Ca 0.15 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3hfa h VAL 466 Cb 0.21 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hfa h VAL 466 CO -0.01 0.34 0.14 0.00 0.02 0.00 0.00 177.57 178.06 3hfa h ALA 467 N 1.23 0.52 -0.65 1.67 0.00 -1.03 0.53 119.26 121.53 3hfa h ALA 467 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 467 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 467 CO -0.00 0.14 0.09 0.28 0.00 0.00 0.00 179.25 179.76 3hfa h VAL 468 N 0.49 1.26 -0.36 0.00 2.07 -0.97 -1.72 116.25 117.02 3hfa h VAL 468 Ca 0.13 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3hfa h VAL 468 Cb 0.23 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hfa h VAL 468 CO -0.01 0.39 -0.24 -0.08 0.02 0.00 0.00 177.57 177.65 3hfa h GLU 469 N 1.00 0.71 -0.70 1.57 4.81 -0.72 -0.51 114.58 120.74 3hfa h GLU 469 Ca 0.20 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3hfa h GLU 469 Cb 0.45 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3hfa h GLU 469 CO 0.01 0.88 0.21 0.00 -0.73 0.00 0.00 179.01 179.38 3hfa h ALA 470 N 1.11 1.04 -0.80 2.92 0.00 -0.63 0.81 119.26 123.72 3hfa h ALA 470 Ca 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hfa h ALA 470 Cb 0.73 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3hfa h ALA 470 CO 0.06 0.64 0.33 -0.07 0.00 0.00 0.00 179.25 180.21 3hfa h LEU 471 N 1.04 1.08 -0.20 0.00 4.07 -1.05 -0.63 115.31 119.62 3hfa h LEU 471 Ca 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3hfa h LEU 471 Cb 0.31 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3hfa h LEU 471 CO -0.01 0.95 0.13 0.22 -1.08 0.00 0.00 178.44 178.65 3hfa h TYR 472 N 1.15 0.27 -0.45 1.13 3.20 -0.26 -0.40 116.97 121.60 3hfa h TYR 472 Ca 0.27 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 3hfa h TYR 472 Cb 0.19 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3hfa h TYR 472 CO 0.02 0.20 0.03 -0.44 -1.64 0.00 0.00 178.16 176.33 3hfa h ASP 473 N 0.25 0.68 -0.40 -2.11 3.32 -0.70 -0.35 116.42 117.12 3hfa h ASP 473 Ca 0.07 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 473 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3hfa h ASP 473 CO -0.01 0.73 0.18 0.00 -1.72 0.00 0.00 179.24 178.41 3hfa h ALA 474 N 1.35 0.52 -0.22 3.45 0.00 -0.70 -2.60 119.26 121.06 3hfa h ALA 474 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 474 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hfa h ALA 474 CO 0.01 0.11 -0.19 0.00 0.00 0.00 0.00 179.25 179.19 3hfa h ALA 475 N 1.02 1.28 -0.23 0.00 0.00 -0.59 0.13 119.26 120.87 3hfa h ALA 475 Ca 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3hfa h ALA 475 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 475 CO -0.01 0.48 -0.07 0.22 0.00 0.00 0.00 179.25 179.86 3hfa h ASP 476 N 0.35 0.35 0.00 0.00 3.58 -0.76 -3.24 116.42 116.69 3hfa h ASP 476 Ca 0.06 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3hfa h ASP 476 Cb 0.53 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hfa h ASP 476 CO 0.03 0.47 -0.68 0.47 -2.88 0.00 0.00 179.24 176.65 3hfa n ASP 477 N -4.28 0.89 -3.96 2.28 8.00 -1.01 -4.92 116.55 113.56 3hfa n ASP 477 Ca 0.00 -0.60 -0.30 0.00 0.71 0.00 0.00 54.79 54.60 3hfa n ASP 477 Cb 0.26 1.10 -0.16 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.22 3.43 0.39 -2.24 2.15 0.42 -5.00 116.67 113.60 3hfa s ASP 478 Ca 0.02 -0.93 0.28 0.00 0.43 0.00 0.00 52.55 52.35 3hfa s ASP 478 Cb 0.08 -1.17 1.31 0.00 -0.30 0.00 0.00 42.92 42.84 3hfa s ASP 478 CO 0.43 -0.18 1.84 0.77 -0.17 0.00 0.00 175.17 177.86 3hfa h SER 479 N 7.99 0.00 0.11 -0.34 4.64 -1.86 -1.50 113.55 122.59 3hfa h SER 479 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 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 0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.35 3hfa n ALA 480 N -1.87 2.71 -2.84 5.18 0.00 -1.26 -4.78 120.51 117.65 3hfa n ALA 480 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 3hfa n ALA 480 Cb 0.16 -1.28 -0.14 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 -2.18 3.08 -0.04 0.00 2.01 -0.57 -0.89 115.64 117.05 3hfa s THR 481 Ca 0.36 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 3hfa s THR 481 Cb 0.21 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3hfa s THR 481 CO 0.40 0.55 0.50 -0.83 -0.69 0.00 0.00 174.62 174.55 3hfa s GLY 482 N -0.09 2.49 0.78 4.40 0.00 -1.26 -4.50 107.32 109.15 3hfa s GLY 482 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 3hfa s GLY 482 CO 0.04 0.58 1.09 -0.32 0.00 0.00 0.00 173.10 174.49 3hfa s GLY 483 N -0.15 1.75 0.20 0.20 0.00 -1.26 -4.54 107.32 103.53 3hfa s GLY 483 Ca 0.27 -1.37 -0.32 0.00 0.00 0.00 0.00 44.72 43.30 3hfa s GLY 483 CO 0.13 -0.79 1.57 -1.05 0.00 0.00 0.00 173.10 172.96 3hfa n PRO 484 N -3.11 2.30 -3.43 2.90 -0.02 -1.26 -4.91 135.00 127.47 3hfa n PRO 484 Ca 0.13 0.83 -0.44 0.00 -2.02 0.00 0.00 63.50 62.00 3hfa n PRO 484 Cb 0.60 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.76 5.99 0.27 2.55 -1.08 -0.05 -4.93 116.67 120.18 3hfa s ASP 485 Ca 0.74 -1.93 0.12 0.00 -0.52 0.00 0.00 52.55 50.95 3hfa s ASP 485 Cb -0.62 -2.11 0.32 0.00 -1.46 0.00 0.00 42.92 39.04 3hfa s ASP 485 CO 0.41 -0.76 1.58 -0.07 0.52 0.00 0.00 175.17 176.85 3hfa h LEU 486 N 8.58 0.00 -0.09 -1.34 4.07 -1.93 0.14 115.31 124.75 3hfa h LEU 486 Ca -0.23 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 3hfa h LEU 486 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3hfa h LEU 486 CO 0.93 0.63 -0.01 0.58 -1.08 0.00 0.00 178.44 179.49 3hfa h VAL 487 N 0.00 1.28 0.00 1.22 2.07 -1.97 -3.24 116.25 115.61 3hfa h VAL 487 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hfa h VAL 487 Cb 1.17 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3hfa h VAL 487 CO 0.08 0.25 -0.60 0.03 0.02 0.00 0.00 177.57 177.36 3hfa h ARG 488 N -0.15 0.00 -3.03 1.57 3.08 -1.99 -3.48 114.38 110.39 3hfa h ARG 488 Ca 0.02 0.00 -0.13 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 -0.26 0.41 -1.07 0.00 0.00 179.97 179.06 3hfa n GLY 489 N 1.15 0.28 3.32 0.04 0.00 0.42 -5.06 105.19 105.34 3hfa n GLY 489 Ca 0.02 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.12 2.59 0.21 -0.61 1.01 -0.70 -5.00 121.20 115.58 3hfa s ILE 490 Ca 0.10 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3hfa s ILE 490 Cb -0.04 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3hfa s ILE 490 CO 0.26 0.55 -0.01 -0.36 0.00 0.00 0.00 174.94 175.38 3hfa s PHE 491 N 0.19 1.45 0.75 3.97 0.08 -1.26 -0.87 117.98 122.28 3hfa s PHE 491 Ca -0.11 -0.93 -0.15 0.00 0.12 0.00 0.00 56.93 55.86 3hfa s PHE 491 Cb -0.16 -0.82 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 3hfa s PHE 491 CO 0.06 -0.07 0.87 -2.30 -0.10 0.00 0.00 175.22 173.69 3hfa n PRO 492 N -0.35 0.36 -4.03 0.24 -0.02 -1.26 -4.82 135.00 125.11 3hfa n PRO 492 Ca -0.06 0.18 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 3hfa n PRO 492 Cb 0.63 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3hfa n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hfa s THR 493 N -1.93 4.85 0.02 3.45 -4.23 -0.70 -4.93 115.64 112.16 3hfa s THR 493 Ca 0.71 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 3hfa s THR 493 Cb -0.33 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 69.97 3hfa s THR 493 CO 0.53 -0.22 0.26 0.00 -0.54 0.00 0.00 174.62 174.65 3hfa s ALA 494 N -1.90 -0.61 -0.02 3.99 0.00 -1.26 -1.07 121.76 120.89 3hfa s ALA 494 Ca 0.33 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.39 3hfa s ALA 494 Cb -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3hfa s ALA 494 CO 0.26 -0.32 -0.16 0.08 0.00 0.00 0.00 175.76 175.63 3hfa s VAL 495 N -1.93 1.29 -0.08 0.00 1.01 0.51 -0.92 120.40 120.29 3hfa s VAL 495 Ca -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3hfa s VAL 495 Cb -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3hfa s VAL 495 CO 0.00 0.37 -0.16 -0.63 0.00 0.00 0.00 175.10 174.68 3hfa s ILE 496 N -0.27 2.86 -0.10 2.22 1.01 -0.60 -0.89 121.20 125.43 3hfa s ILE 496 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3hfa s ILE 496 Cb -0.07 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.28 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 -0.30 1.31 0.00 2.92 1.01 -0.21 -1.00 121.20 124.92 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 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.12 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 4.36 0.48 0.20 3.58 5.68 -1.15 -1.36 116.55 128.35 3hfa n ASP 498 Ca -0.18 -0.24 0.16 0.00 -0.50 0.00 0.00 54.79 54.03 3hfa n ASP 498 Cb 0.51 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.30 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 1.86 -0.03 2.12 0.00 -1.95 0.76 119.26 123.02 3hfa h ALA 499 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 499 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 499 CO 0.00 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 3hfa n ASP 500 N -3.95 0.84 0.00 0.00 8.00 -1.26 -5.03 116.55 115.15 3hfa n ASP 500 Ca 0.01 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.14 3hfa n ASP 500 Cb 0.29 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.85 3.72 0.44 0.00 0.26 -5.00 105.19 106.52 3hfa n GLY 501 Ca 0.19 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.30 3.28 0.02 4.61 0.00 0.14 -2.94 121.76 125.56 3hfa s ALA 502 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.32 3hfa s ALA 502 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3hfa s ALA 502 CO 0.00 -0.09 -0.05 0.14 0.00 0.00 0.00 175.76 175.76 3hfa s VAL 503 N 0.54 0.34 0.15 0.00 -7.23 -0.17 -4.97 120.40 109.06 3hfa s VAL 503 Ca 0.43 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.69 3hfa s VAL 503 Cb -0.20 -0.37 -0.08 0.00 0.56 0.00 0.00 36.38 36.29 3hfa s VAL 503 CO 0.24 -0.19 1.28 -1.81 -0.31 0.00 0.00 175.10 174.31 3hfa s ASP 504 N -0.86 6.96 0.05 4.85 1.01 -1.26 -1.55 116.67 125.87 3hfa s ASP 504 Ca -0.06 2.27 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 3hfa s ASP 504 Cb -0.06 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3hfa s ASP 504 CO -0.00 -0.50 1.06 -0.69 0.21 0.00 0.00 175.17 175.25 3hfa s VAL 505 N 0.45 4.46 0.28 -1.27 1.01 -0.10 -4.92 120.40 120.32 3hfa s VAL 505 Ca 0.58 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 64.07 3hfa s VAL 505 Cb -0.34 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 3hfa s VAL 505 CO 0.34 0.17 1.57 -2.84 0.00 0.00 0.00 175.10 174.34 3hfa s PRO 506 N 0.81 4.15 0.33 2.72 0.02 -1.26 -4.63 135.00 137.15 3hfa s PRO 506 Ca 0.54 2.53 0.11 0.00 0.02 0.00 0.00 61.00 64.20 3hfa s PRO 506 Cb -0.25 -3.04 0.93 0.00 0.02 0.00 0.00 34.50 32.16 3hfa s PRO 506 CO 0.29 -0.60 1.73 1.49 -0.33 0.00 0.00 177.00 179.59 3hfa h GLU 507 N 4.92 0.53 -0.61 5.54 4.81 -1.94 -1.46 114.58 126.37 3hfa h GLU 507 Ca -0.47 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3hfa h GLU 507 Cb 1.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hfa h GLU 507 CO 0.79 0.35 0.40 0.66 -0.73 0.00 0.00 179.01 180.49 3hfa h SER 508 N 0.55 0.68 0.07 1.04 4.64 -1.99 0.85 113.55 119.38 3hfa h SER 508 Ca 0.64 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.74 3hfa h SER 508 Cb 1.29 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3hfa h SER 508 CO -0.45 0.48 -0.76 -0.09 -0.87 0.00 0.00 176.83 175.14 3hfa h ARG 509 N 0.79 0.59 -0.40 4.77 2.43 -1.64 -2.09 114.38 118.83 3hfa h ARG 509 Ca 0.23 -0.49 -0.13 0.00 -0.81 0.00 0.00 59.98 58.78 3hfa h ARG 509 Cb -0.05 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3hfa h ARG 509 CO -0.05 1.11 -0.26 0.82 -1.51 0.00 0.00 179.97 180.07 3hfa h ILE 510 N 0.40 1.28 -0.73 1.20 2.04 -1.26 -2.10 117.51 118.34 3hfa h ILE 510 Ca -0.04 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.43 3hfa h ILE 510 Cb 1.37 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 3hfa h ILE 510 CO 0.14 0.48 0.45 0.00 0.00 0.00 0.00 178.15 179.22 3hfa h ALA 511 N 0.80 0.96 -0.34 1.87 0.00 -0.79 0.40 119.26 122.16 3hfa h ALA 511 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 511 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hfa h ALA 511 CO 0.07 0.20 0.17 1.49 0.00 0.00 0.00 179.25 181.19 3hfa h GLU 512 N 0.85 0.48 -0.43 0.00 4.81 -1.23 -1.01 114.58 118.05 3hfa h GLU 512 Ca 0.30 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3hfa h GLU 512 Cb 0.07 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3hfa h GLU 512 CO -0.13 0.43 0.21 -0.07 -0.73 0.00 0.00 179.01 178.71 3hfa h LEU 513 N 0.42 0.30 -0.61 1.64 4.07 -0.95 -1.62 115.31 118.56 3hfa h LEU 513 Ca 0.12 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3hfa h LEU 513 Cb 0.09 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3hfa h LEU 513 CO -0.02 0.22 0.40 0.00 -1.08 0.00 0.00 178.44 177.96 3hfa h ALA 514 N 1.23 0.78 -0.73 1.53 0.00 -0.60 -0.39 119.26 121.08 3hfa h ALA 514 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 514 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hfa h ALA 514 CO -0.13 0.22 0.31 0.00 0.00 0.00 0.00 179.25 179.65 3hfa h ARG 515 N 0.83 1.07 -0.38 0.00 3.08 -0.95 -0.03 114.38 118.01 3hfa h ARG 515 Ca 0.22 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hfa h ARG 515 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3hfa h ARG 515 CO -0.05 0.87 0.16 0.00 -1.07 0.00 0.00 179.97 179.88 3hfa h ALA 516 N 1.15 0.49 -0.17 0.04 0.00 -0.77 0.11 119.26 120.13 3hfa h ALA 516 Ca 0.25 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 516 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 516 CO -0.02 0.08 0.04 0.82 0.00 0.00 0.00 179.25 180.16 3hfa h ILE 517 N 0.47 0.93 -0.09 0.00 2.04 -0.77 0.44 117.51 120.54 3hfa h ILE 517 Ca 0.13 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3hfa h ILE 517 Cb 0.17 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3hfa h ILE 517 CO -0.01 0.02 -0.02 0.40 0.00 0.00 0.00 178.15 178.53 3hfa h ILE 518 N 0.11 0.91 -0.95 -0.67 2.04 -0.77 -2.07 117.51 116.10 3hfa h ILE 518 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hfa h ILE 518 Cb 0.06 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3hfa h ILE 518 CO -0.09 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.30 3hfa h GLU 519 N -0.01 1.28 -0.57 2.37 5.08 -0.59 -1.66 114.58 120.48 3hfa h GLU 519 Ca 0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hfa h GLU 519 Cb 0.07 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3hfa h GLU 519 CO -0.09 0.89 0.38 1.03 -1.00 0.00 0.00 179.01 180.21 3hfa h SER 520 N 1.30 0.66 0.60 1.42 0.87 -0.55 -2.14 113.55 115.71 3hfa h SER 520 Ca 0.34 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 3hfa h SER 520 Cb -0.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3hfa h SER 520 CO -0.07 0.48 -0.73 0.54 -0.53 0.00 0.00 176.83 176.52 3hfa n ARG 521 N -4.45 0.20 -0.02 2.24 1.74 -0.81 -3.76 116.66 111.80 3hfa n ARG 521 Ca 0.05 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 3hfa n ARG 521 Cb 0.05 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 3hfa n ARG 521 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3hfa h SER 522 N 0.00 -0.05 0.00 0.55 0.02 -1.09 -3.47 113.55 109.51 3hfa h SER 522 Ca 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 3hfa h SER 522 Cb 0.67 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3hfa h SER 522 CO 0.00 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 176.96 3hfa n GLY 523 N 0.93 0.95 0.26 -3.77 0.00 -0.83 -4.93 105.19 97.80 3hfa n GLY 523 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.11 3hfa n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfa h ALA 524 N 0.00 1.00 0.00 4.61 0.00 -1.82 0.28 119.26 123.33 3hfa h ALA 524 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 524 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 3hfa n ASP 525 N -2.80 0.00 0.00 0.00 2.03 -1.07 -5.02 116.55 109.69 3hfa n ASP 525 Ca -0.01 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.55 3hfa n ASP 525 Cb 0.16 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 3hfa n ASP 525 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35