#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 0.33 -0.08 12.58 2.01 -1.26 -0.59 115.64 128.63 3hfa s THR 302 Ca 0.00 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3hfa s THR 302 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.18 3hfa s THR 302 CO 0.00 0.14 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.30 3hfa s ILE 303 N 0.49 1.30 0.17 1.82 1.01 -0.24 -2.45 121.20 123.30 3hfa s ILE 303 Ca -0.05 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.15 3hfa s ILE 303 Cb -0.09 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3hfa s ILE 303 CO -0.01 0.39 -0.25 0.68 0.00 0.00 0.00 174.94 175.76 3hfa s VAL 304 N 0.71 2.30 -0.05 2.92 -7.23 0.04 -1.13 120.40 117.97 3hfa s VAL 304 Ca -0.13 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.03 3hfa s VAL 304 Cb -0.16 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3hfa s VAL 304 CO 0.03 -0.06 0.19 0.00 -0.31 0.00 0.00 175.10 174.95 3hfa s ALA 305 N -1.48 -0.46 -0.01 1.32 0.00 -0.44 -1.05 121.76 119.65 3hfa s ALA 305 Ca 0.18 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 3hfa s ALA 305 Cb -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3hfa s ALA 305 CO 0.08 -0.13 0.31 -0.48 0.00 0.00 0.00 175.76 175.54 3hfa s LEU 306 N -0.36 0.87 0.01 0.00 0.05 -0.34 -1.05 118.68 117.86 3hfa s LEU 306 Ca -0.05 0.05 -0.20 0.00 0.05 0.00 0.00 54.13 53.99 3hfa s LEU 306 Cb -0.03 1.26 -0.06 0.00 -2.05 0.00 0.00 46.19 45.31 3hfa s LEU 306 CO 0.01 -0.46 0.56 -0.54 -0.55 0.00 0.00 176.35 175.37 3hfa s LYS 307 N -1.44 4.26 0.32 1.48 1.02 0.49 -1.03 119.74 124.83 3hfa s LYS 307 Ca -0.13 0.69 0.05 0.00 0.02 0.00 0.00 55.97 56.60 3hfa s LYS 307 Cb -0.05 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 3hfa s LYS 307 CO 0.04 0.45 -0.00 1.52 -0.92 0.00 0.00 175.35 176.43 3hfa s TYR 308 N -0.43 2.04 -0.21 3.18 -0.85 -0.63 -4.94 117.35 115.50 3hfa s TYR 308 Ca 0.29 -0.80 -0.28 0.00 -0.52 0.00 0.00 57.07 55.76 3hfa s TYR 308 Cb -0.18 -1.28 -0.05 0.00 0.38 0.00 0.00 41.96 40.83 3hfa s TYR 308 CO 0.17 0.19 2.18 -2.14 -1.52 0.00 0.00 175.55 174.43 3hfa s PRO 309 N -3.79 3.19 0.00 -3.49 0.02 -1.26 -1.67 135.00 127.99 3hfa s PRO 309 Ca 0.33 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3hfa s PRO 309 Cb 0.07 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.23 3hfa s PRO 309 CO 0.14 -2.04 0.00 0.41 -0.33 0.00 0.00 177.00 175.18 3hfa n GLY 310 N 5.68 0.23 0.00 0.52 0.00 0.23 -4.73 105.19 107.12 3hfa n GLY 310 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3hfa n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 311 N -1.85 1.44 3.07 -0.02 0.00 -0.67 -4.15 105.19 103.01 3hfa n GLY 311 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 0.10 0.03 1.61 0.11 -0.41 -1.61 120.40 117.88 3hfa s VAL 312 Ca 0.00 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.32 3hfa s VAL 312 Cb 0.00 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3hfa s VAL 312 CO 0.00 -0.44 -0.18 0.54 -3.33 0.00 0.00 175.10 171.69 3hfa s VAL 313 N -1.52 1.44 -0.02 2.04 0.11 -0.20 -1.05 120.40 121.19 3hfa s VAL 313 Ca -0.14 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 57.92 3hfa s VAL 313 Cb -0.08 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 3hfa s VAL 313 CO 0.00 0.21 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.57 3hfa s MET 314 N -0.94 0.87 0.02 1.54 1.75 -0.27 -1.20 119.30 121.07 3hfa s MET 314 Ca 0.06 -0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 3hfa s MET 314 Cb -0.08 -0.82 -0.02 0.00 2.84 0.00 0.00 34.83 36.75 3hfa s MET 314 CO 0.01 0.12 -0.03 0.00 -0.65 0.00 0.00 175.02 174.47 3hfa s ALA 315 N 0.11 0.17 0.05 4.11 0.00 -0.21 -0.36 121.76 125.62 3hfa s ALA 315 Ca -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3hfa s ALA 315 Cb -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3hfa s ALA 315 CO 0.00 -0.17 0.04 0.20 0.00 0.00 0.00 175.76 175.84 3hfa s GLY 316 N -1.58 0.28 0.55 0.00 0.00 -0.37 -0.78 107.32 105.42 3hfa s GLY 316 Ca -0.14 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 3hfa s GLY 316 CO -0.02 -0.94 0.74 2.09 0.00 0.00 0.00 173.10 174.98 3hfa n ASP 317 N 0.51 0.25 0.00 1.64 5.75 -1.03 -1.79 116.55 121.87 3hfa n ASP 317 Ca -0.17 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3hfa n ASP 317 Cb 0.60 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.53 0.45 -3.32 0.11 5.12 -1.26 -4.52 116.66 110.70 3hfa n ARG 318 Ca 0.10 -0.79 -0.33 0.00 -1.93 0.00 0.00 57.85 54.90 3hfa n ARG 318 Cb 0.35 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 3hfa n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hfa s ARG 319 N -0.33 3.92 0.03 5.56 3.52 -1.26 -1.46 118.95 128.92 3hfa s ARG 319 Ca 0.00 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.08 3hfa s ARG 319 Cb 0.00 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.69 3hfa s ARG 319 CO 0.00 0.33 -0.09 -1.54 -0.81 0.00 0.00 175.30 173.19 3hfa s SER 320 N -2.13 1.06 0.07 -2.12 1.04 -0.74 -4.71 113.70 106.17 3hfa s SER 320 Ca 0.46 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.58 3hfa s SER 320 Cb -0.12 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 3hfa s SER 320 CO 0.20 -0.03 -0.16 0.42 0.98 0.00 0.00 173.24 174.64 3hfa s THR 321 N -0.79 1.28 -0.50 2.02 -4.23 -1.26 -0.15 115.64 112.01 3hfa s THR 321 Ca -0.02 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3hfa s THR 321 Cb -0.07 -1.20 0.13 0.00 1.34 0.00 0.00 72.50 72.71 3hfa s THR 321 CO 0.00 -0.12 0.26 -1.58 -0.54 0.00 0.00 174.62 172.64 3hfa s GLN 322 N -1.64 2.02 7.79 3.99 0.74 0.26 -4.84 119.66 127.98 3hfa s GLN 322 Ca 0.01 -2.41 0.00 0.00 0.05 0.00 0.00 55.36 53.01 3hfa s GLN 322 Cb -0.10 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3hfa s GLN 322 CO 0.03 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 3hfa n GLY 323 N 3.51 2.96 0.13 2.59 0.00 -1.26 -2.38 105.19 110.74 3hfa n GLY 323 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hfa h ASN 324 CO 0.00 0.26 0.49 -0.04 -1.65 0.00 0.00 177.43 176.49 3hfa s MET 325 N -3.13 4.57 -0.26 0.81 -1.94 -1.00 -4.98 119.30 113.36 3hfa s MET 325 Ca 0.01 1.73 -0.29 0.00 -1.71 0.00 0.00 55.69 55.43 3hfa s MET 325 Cb 0.08 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.64 3hfa s MET 325 CO 0.77 0.03 1.19 0.42 -0.01 0.00 0.00 175.02 177.42 3hfa s ILE 326 N -0.11 4.36 -0.79 2.53 1.01 -1.26 -0.57 121.20 126.37 3hfa s ILE 326 Ca 0.50 1.60 0.13 0.00 0.00 0.00 0.00 60.65 62.88 3hfa s ILE 326 Cb -0.30 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 3hfa s ILE 326 CO 0.35 -0.34 0.60 -1.54 0.00 0.00 0.00 174.94 174.00 3hfa n SER 327 N 6.95 0.86 -3.56 3.58 3.41 0.79 -4.91 113.62 120.74 3hfa n SER 327 Ca 0.13 -0.93 -0.16 0.00 -0.26 0.00 0.00 58.87 57.66 3hfa n SER 327 Cb 0.46 0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 65.18 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 -2.01 -0.50 0.00 5.00 0.00 -0.97 -4.90 107.32 103.94 3hfa s GLY 328 Ca 0.07 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.43 3hfa s GLY 328 CO 0.45 1.17 0.27 0.54 0.00 0.00 0.00 173.10 175.54 3hfa n ARG 329 N 1.29 0.89 -0.48 2.90 1.74 -1.25 -1.79 116.66 119.97 3hfa n ARG 329 Ca -0.16 -0.27 0.02 0.00 -0.77 0.00 0.00 57.85 56.67 3hfa n ARG 329 Cb 0.57 -0.73 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 -0.20 0.52 -4.75 0.55 5.68 -1.00 -4.65 116.55 112.70 3hfa n ASP 330 Ca 0.00 -2.23 -0.42 0.00 -0.50 0.00 0.00 54.79 51.64 3hfa n ASP 330 Cb 0.05 -0.25 -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 -0.69 -1.33 0.00 0.00 177.20 175.18 3hfa s VAL 331 N -0.59 2.04 -0.24 2.12 1.01 -0.54 -4.98 120.40 119.23 3hfa s VAL 331 Ca 0.09 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3hfa s VAL 331 Cb 0.08 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3hfa s VAL 331 CO -0.01 0.01 0.13 -0.13 0.00 0.00 0.00 175.10 175.10 3hfa s ARG 332 N -0.27 3.93 0.00 2.72 0.52 -1.26 -4.24 118.95 120.34 3hfa s ARG 332 Ca 0.65 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 3hfa s ARG 332 Cb -0.48 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 31.53 3hfa s ARG 332 CO 0.46 -0.02 0.43 1.63 0.02 0.00 0.00 175.30 177.82 3hfa n LYS 333 N 4.50 1.43 -4.09 3.54 5.02 -1.26 -4.95 118.16 122.36 3hfa n LYS 333 Ca -0.15 -0.45 -0.33 0.00 -2.02 0.00 0.00 58.31 55.36 3hfa n LYS 333 Cb 0.52 -0.91 -0.16 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.50 2.22 -0.05 -0.18 1.01 -1.26 -2.51 120.40 119.12 3hfa s VAL 334 Ca 0.02 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3hfa s VAL 334 Cb 0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3hfa s VAL 334 CO 0.05 0.39 -0.25 -0.31 0.00 0.00 0.00 175.10 174.98 3hfa s TYR 335 N 1.27 2.41 -0.17 5.22 2.02 0.36 -4.96 117.35 123.50 3hfa s TYR 335 Ca 0.02 -0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 3hfa s TYR 335 Cb -0.15 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3hfa s TYR 335 CO -0.10 -0.20 1.33 0.42 -1.57 0.00 0.00 175.55 175.43 3hfa s ILE 336 N -0.21 4.16 -0.08 2.71 1.01 -1.26 -0.28 121.20 127.23 3hfa s ILE 336 Ca -0.02 1.39 0.17 0.00 0.00 0.00 0.00 60.65 62.19 3hfa s ILE 336 Cb -0.13 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.14 3hfa s ILE 336 CO 0.03 -0.18 0.26 0.35 0.00 0.00 0.00 174.94 175.41 3hfa n THR 337 N 5.54 0.49 -3.31 2.92 -2.24 -0.63 -4.95 114.28 112.09 3hfa n THR 337 Ca 0.15 -0.55 -0.03 0.00 -2.27 0.00 0.00 64.05 61.35 3hfa n THR 337 Cb 0.45 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.64 0.25 3.42 5.75 -1.18 -4.48 116.55 117.33 3hfa n ASP 338 Ca -0.14 -1.49 0.18 0.00 -0.01 0.00 0.00 54.79 53.33 3hfa n ASP 338 Cb 0.72 1.08 0.89 0.00 -1.03 0.00 0.00 41.12 42.78 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 0.59 0.00 0.00 -1.12 3.32 -1.95 -3.00 116.42 114.26 3hfa h ASP 339 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3hfa h ASP 339 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hfa h ASP 339 CO 0.12 0.00 -0.16 -1.22 -1.72 0.00 0.00 179.24 176.26 3hfa n TYR 340 N -3.52 0.00 -3.99 4.55 4.01 -1.26 -0.14 117.16 116.81 3hfa n TYR 340 Ca 0.00 -0.34 -0.09 0.00 -0.16 0.00 0.00 57.90 57.32 3hfa n TYR 340 Cb 0.30 -0.06 -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 -0.89 0.13 0.02 -0.72 -4.23 -1.13 -1.18 115.64 107.63 3hfa s THR 341 Ca 0.08 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3hfa s THR 341 Cb 0.07 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.33 3hfa s THR 341 CO 0.01 -0.60 -0.04 0.00 -0.54 0.00 0.00 174.62 173.44 3hfa s ALA 342 N -2.02 0.25 -0.07 3.99 0.00 0.45 -1.60 121.76 122.76 3hfa s ALA 342 Ca -0.11 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.37 3hfa s ALA 342 Cb -0.06 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hfa s ALA 342 CO -0.03 -0.08 -0.19 0.99 0.00 0.00 0.00 175.76 176.45 3hfa s THR 343 N -1.11 1.65 -0.07 0.00 2.01 0.61 -1.04 115.64 117.69 3hfa s THR 343 Ca -0.11 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.14 3hfa s THR 343 Cb -0.08 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3hfa s THR 343 CO -0.00 0.47 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.34 3hfa s GLY 344 N 0.28 1.35 -0.06 4.40 0.00 -0.48 -0.49 107.32 112.33 3hfa s GLY 344 Ca -0.12 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.60 3hfa s GLY 344 CO 0.05 -0.60 -0.09 -0.42 0.00 0.00 0.00 173.10 172.04 3hfa s ILE 345 N -0.16 0.91 -0.01 0.90 1.01 -1.04 0.52 121.20 123.33 3hfa s ILE 345 Ca -0.03 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hfa s ILE 345 Cb -0.14 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3hfa s ILE 345 CO 0.04 0.31 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 3hfa s ALA 346 N 0.79 3.15 0.00 9.38 0.00 -0.70 -4.95 121.76 129.43 3hfa s ALA 346 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3hfa s ALA 346 Cb -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.72 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 1.57 0.41 3.71 0.00 0.00 -1.26 -0.83 105.19 108.79 3hfa n GLY 347 Ca -0.15 -2.22 -0.57 0.00 0.00 0.00 0.00 46.02 43.08 3hfa n GLY 347 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hfa n THR 348 N 0.00 0.33 -0.03 2.61 -1.04 -0.24 -4.83 114.28 111.07 3hfa n THR 348 Ca 0.00 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 3hfa n THR 348 Cb 0.00 -1.29 -0.02 0.00 -1.82 0.00 0.00 70.33 67.20 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 7.47 -0.08 -0.81 2.41 0.00 -1.96 -0.21 119.26 126.07 3hfa h ALA 349 Ca -0.46 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.60 3hfa h ALA 349 Cb 1.31 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 3hfa h ALA 349 CO 0.96 -0.63 0.48 0.00 0.00 0.00 0.00 179.25 180.06 3hfa h ALA 350 N 0.86 1.14 -0.28 0.00 0.00 -2.01 -1.67 119.26 117.30 3hfa h ALA 350 Ca 0.13 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 350 Cb 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hfa h ALA 350 CO -0.34 0.15 -0.49 0.28 0.00 0.00 0.00 179.25 178.86 3hfa h VAL 351 N 0.84 1.29 -0.24 0.00 2.07 -1.79 -2.82 116.25 115.60 3hfa h VAL 351 Ca 0.37 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3hfa h VAL 351 Cb 0.27 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3hfa h VAL 351 CO -0.21 0.55 0.12 0.00 0.02 0.00 0.00 177.57 178.05 3hfa h ALA 352 N 0.83 0.32 -0.47 1.67 0.00 -0.36 -1.05 119.26 120.20 3hfa h ALA 352 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 352 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hfa h ALA 352 CO 0.11 -0.13 0.15 0.28 0.00 0.00 0.00 179.25 179.65 3hfa h VAL 353 N 0.27 1.22 -0.14 0.00 2.07 -1.37 -2.07 116.25 116.23 3hfa h VAL 353 Ca 0.08 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3hfa h VAL 353 Cb 0.11 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3hfa h VAL 353 CO -0.01 0.27 -0.15 -0.33 0.02 0.00 0.00 177.57 177.37 3hfa h GLU 354 N 0.62 -0.17 -0.05 1.57 5.08 -1.34 -1.10 114.58 119.19 3hfa h GLU 354 Ca 0.15 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3hfa h GLU 354 Cb 0.26 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3hfa h GLU 354 CO -0.01 -0.11 -0.37 0.74 -1.00 0.00 0.00 179.01 178.26 3hfa h PHE 355 N -0.18 -1.05 -0.60 4.33 0.04 -0.92 0.17 116.94 118.73 3hfa h PHE 355 Ca 0.10 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3hfa h PHE 355 Cb 0.32 0.47 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 3hfa h PHE 355 CO -0.27 -0.45 0.35 0.00 -0.60 0.00 0.00 178.31 177.34 3hfa h ALA 356 N 0.17 0.77 0.11 2.45 0.00 -1.16 0.94 119.26 122.53 3hfa h ALA 356 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 356 Cb 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hfa h ALA 356 CO -0.33 0.26 -0.05 -0.09 0.00 0.00 0.00 179.25 179.03 3hfa h ARG 357 N 0.81 -0.15 -0.79 0.00 2.43 -0.95 -2.47 114.38 113.27 3hfa h ARG 357 Ca 0.21 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3hfa h ARG 357 Cb -0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hfa h ARG 357 CO -0.04 0.29 0.31 1.25 -1.51 0.00 0.00 179.97 180.27 3hfa h LEU 358 N -0.65 1.10 -0.37 3.80 5.85 -0.59 -2.21 115.31 122.23 3hfa h LEU 358 Ca -0.02 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3hfa h LEU 358 Cb 0.51 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hfa h LEU 358 CO 0.03 0.98 0.17 0.22 -0.34 0.00 0.00 178.44 179.50 3hfa h TYR 359 N 1.15 0.54 -0.84 1.25 3.20 -0.84 0.74 116.97 122.17 3hfa h TYR 359 Ca 0.26 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3hfa h TYR 359 Cb 0.23 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3hfa h TYR 359 CO 0.02 0.46 0.39 0.00 -1.64 0.00 0.00 178.16 177.39 3hfa h ALA 360 N 1.02 1.10 -0.43 1.82 0.00 -1.31 -0.98 119.26 120.49 3hfa h ALA 360 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 360 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hfa h ALA 360 CO -0.02 0.67 0.27 0.28 0.00 0.00 0.00 179.25 180.45 3hfa h VAL 361 N 1.20 1.12 -0.74 0.00 2.07 -1.03 -2.63 116.25 116.25 3hfa h VAL 361 Ca 0.29 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3hfa h VAL 361 Cb 0.14 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3hfa h VAL 361 CO -0.03 0.12 0.27 -0.08 0.02 0.00 0.00 177.57 177.87 3hfa h GLU 362 N 0.57 1.12 -0.44 1.57 4.81 -0.29 0.15 114.58 122.08 3hfa h GLU 362 Ca 0.16 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3hfa h GLU 362 Cb -0.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3hfa h GLU 362 CO -0.03 0.93 0.22 -0.07 -0.73 0.00 0.00 179.01 179.33 3hfa h LEU 363 N 1.07 0.56 -0.30 1.64 4.07 -1.08 -2.06 115.31 119.21 3hfa h LEU 363 Ca 0.24 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 3hfa h LEU 363 Cb 0.25 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3hfa h LEU 363 CO -0.02 0.52 -0.78 -0.08 -1.08 0.00 0.00 178.44 177.00 3hfa h GLU 364 N 0.56 0.00 -0.19 1.13 4.81 -1.21 -2.60 114.58 117.08 3hfa h GLU 364 Ca 0.15 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hfa h GLU 364 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3hfa h GLU 364 CO -0.02 0.78 0.08 1.25 -0.73 0.00 0.00 179.01 180.36 3hfa h HIS 365 N 0.00 0.14 -0.11 0.92 2.76 -0.51 -0.69 115.15 117.67 3hfa h HIS 365 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3hfa h HIS 365 Cb 1.46 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 3hfa h HIS 365 CO 0.00 0.08 0.06 -0.92 -1.30 0.00 0.00 177.93 175.85 3hfa h TYR 366 N 0.18 0.11 -0.66 5.26 3.20 -1.28 -1.32 116.97 122.46 3hfa h TYR 366 Ca 0.08 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3hfa h TYR 366 Cb 0.04 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3hfa h TYR 366 CO -0.11 0.07 0.37 1.49 -1.64 0.00 0.00 178.16 178.34 3hfa h GLU 367 N 0.13 0.67 -0.26 1.82 4.81 -1.24 0.10 114.58 120.61 3hfa h GLU 367 Ca 0.04 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 3hfa h GLU 367 Cb -0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3hfa h GLU 367 CO -0.02 0.44 -0.44 0.87 -0.73 0.00 0.00 179.01 179.13 3hfa h LYS 368 N 0.69 0.65 -0.30 1.92 1.57 -0.95 0.19 116.57 120.32 3hfa h LYS 368 Ca 0.29 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3hfa h LYS 368 Cb 0.16 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hfa h LYS 368 CO -0.17 0.96 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.22 3hfa h LEU 369 N 0.52 0.86 -0.15 2.94 3.38 -0.72 -3.35 115.31 118.80 3hfa h LEU 369 Ca 0.04 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hfa h LEU 369 Cb 0.98 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hfa h LEU 369 CO 0.09 1.18 -0.70 -0.62 0.09 0.00 0.00 178.44 178.48 3hfa n GLU 370 N -4.15 1.61 -0.09 1.13 -0.58 0.32 -4.98 120.64 113.89 3hfa n GLU 370 Ca -0.04 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3hfa n GLU 370 Cb 0.53 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 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 1.36 2.19 2.99 0.62 0.00 0.65 -4.98 105.19 108.01 3hfa n GLY 371 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -2.88 0.13 0.64 1.61 0.11 -1.19 -4.97 120.40 113.84 3hfa s VAL 372 Ca 0.00 -0.95 -0.15 0.00 -2.93 0.00 0.00 61.98 57.95 3hfa s VAL 372 Cb 0.00 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3hfa s VAL 372 CO 0.00 -0.52 1.08 -2.84 -3.33 0.00 0.00 175.10 169.49 3hfa s PRO 373 N -1.57 3.03 0.54 1.54 0.02 -1.26 -3.93 135.00 133.36 3hfa s PRO 373 Ca -0.15 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 61.92 3hfa s PRO 373 Cb -0.09 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 3hfa s PRO 373 CO -0.01 -1.05 1.09 1.28 -0.33 0.00 0.00 177.00 177.98 3hfa n LEU 374 N -2.34 3.93 -4.66 -5.54 4.32 -1.26 -5.00 117.00 106.46 3hfa n LEU 374 Ca 0.09 0.92 -0.30 0.00 -0.02 0.00 0.00 56.01 56.70 3hfa n LEU 374 Cb 0.53 -1.44 0.17 0.00 -1.62 0.00 0.00 43.42 41.06 3hfa n LEU 374 CO 0.48 -1.37 0.64 0.42 -1.22 0.00 0.00 177.39 176.34 3hfa s THR 375 N -1.38 2.41 0.23 -5.08 -4.23 -1.26 -4.78 115.64 101.54 3hfa s THR 375 Ca 0.71 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 61.27 3hfa s THR 375 Cb -0.45 -2.38 0.20 0.00 1.34 0.00 0.00 72.50 71.20 3hfa s THR 375 CO 0.50 -0.17 1.90 0.15 -0.54 0.00 0.00 174.62 176.46 3hfa h PHE 376 N -1.85 1.07 -0.74 3.99 3.57 -1.98 -1.13 116.94 119.87 3hfa h PHE 376 Ca -0.50 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.12 3hfa h PHE 376 Cb 1.28 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 3hfa h PHE 376 CO 0.43 0.68 0.39 0.00 -2.23 0.00 0.00 178.31 177.57 3hfa h ALA 377 N 1.31 1.03 -0.64 2.41 0.00 -2.00 -0.53 119.26 120.85 3hfa h ALA 377 Ca 0.31 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hfa h ALA 377 Cb -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hfa h ALA 377 CO -0.07 -0.00 0.30 0.78 0.00 0.00 0.00 179.25 180.27 3hfa h GLY 378 N 0.66 0.99 0.84 0.00 0.00 -1.65 -0.96 103.07 102.96 3hfa h GLY 378 Ca 0.36 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3hfa h GLY 378 CO -0.26 0.47 0.41 0.50 0.00 0.00 0.00 176.54 177.67 3hfa h LYS 379 N 0.88 0.78 -0.13 4.80 1.57 -0.23 -1.32 116.57 122.92 3hfa h LYS 379 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3hfa h LYS 379 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hfa h LYS 379 CO -0.03 0.52 0.07 0.82 -0.57 0.00 0.00 179.45 180.26 3hfa h ILE 380 N 0.80 1.01 -0.41 1.86 2.04 -0.74 -2.45 117.51 119.62 3hfa h ILE 380 Ca 0.28 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.12 3hfa h ILE 380 Cb 0.05 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3hfa h ILE 380 CO -0.12 0.03 0.19 -1.13 0.00 0.00 0.00 178.15 177.12 3hfa h ASN 381 N 0.15 0.26 -0.61 1.72 -1.24 -0.76 -0.97 115.58 114.14 3hfa h ASN 381 Ca 0.05 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3hfa h ASN 381 Cb -0.00 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 3hfa h ASN 381 CO -0.02 0.19 0.35 0.03 -1.29 0.00 0.00 177.43 176.69 3hfa h ARG 382 N 0.39 0.83 -0.63 6.67 2.47 -1.16 0.22 114.38 123.17 3hfa h ARG 382 Ca 0.18 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3hfa h ARG 382 Cb 0.11 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 3hfa h ARG 382 CO -0.14 0.61 0.31 1.25 0.56 0.00 0.00 179.97 182.55 3hfa h LEU 383 N 0.82 0.82 -0.42 3.04 5.85 -1.15 -1.45 115.31 122.81 3hfa h LEU 383 Ca 0.22 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hfa h LEU 383 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3hfa h LEU 383 CO -0.04 0.71 0.15 0.00 -0.34 0.00 0.00 178.44 178.92 3hfa h ALA 384 N 1.14 0.55 -0.68 1.25 0.00 -0.61 -0.84 119.26 120.07 3hfa h ALA 384 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 384 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 384 CO -0.03 0.18 0.41 0.82 0.00 0.00 0.00 179.25 180.63 3hfa h ILE 385 N 0.54 1.20 -0.49 0.00 2.04 -0.85 -0.40 117.51 119.55 3hfa h ILE 385 Ca 0.14 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3hfa h ILE 385 Cb 0.23 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3hfa h ILE 385 CO -0.01 0.21 0.30 -0.03 0.00 0.00 0.00 178.15 178.62 3hfa h MET 386 N 0.93 0.59 -0.52 2.37 4.05 -0.91 -0.97 114.93 120.49 3hfa h MET 386 Ca 0.24 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 3hfa h MET 386 Cb -0.02 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 3hfa h MET 386 CO -0.05 0.39 0.29 0.28 0.23 0.00 0.00 176.91 178.06 3hfa h VAL 387 N 0.61 1.17 -0.59 -5.77 2.07 -0.72 -2.29 116.25 110.72 3hfa h VAL 387 Ca 0.19 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3hfa h VAL 387 Cb -0.01 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3hfa h VAL 387 CO -0.07 0.18 0.37 -0.09 0.02 0.00 0.00 177.57 177.97 3hfa h ARG 388 N 0.69 0.79 -0.08 1.57 2.43 -0.76 -1.18 114.38 117.84 3hfa h ARG 388 Ca 0.18 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3hfa h ARG 388 Cb 0.03 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3hfa h ARG 388 CO -0.03 0.55 0.11 0.78 -1.51 0.00 0.00 179.97 179.86 3hfa h GLY 389 N 0.83 0.00 -1.20 2.80 0.00 -0.59 -1.35 103.07 103.57 3hfa h GLY 389 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hfa h GLY 389 CO -0.04 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.49 3hfa n ASN 390 N -3.70 2.22 -0.09 0.19 5.15 -0.45 -4.54 115.26 114.04 3hfa n ASN 390 Ca -0.01 -1.75 -0.06 0.00 -0.60 0.00 0.00 54.58 52.16 3hfa n ASN 390 Cb 0.20 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 3.27 -0.32 -0.30 1.20 5.85 -1.23 0.17 115.31 123.96 3hfa h LEU 391 Ca 0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3hfa h LEU 391 Cb 0.70 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3hfa h LEU 391 CO 0.00 -0.11 -0.09 0.00 -0.34 0.00 0.00 178.44 177.90 3hfa h ALA 392 N 1.33 0.18 -0.76 1.25 0.00 -1.81 0.39 119.26 119.84 3hfa h ALA 392 Ca 0.16 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3hfa h ALA 392 Cb 0.25 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 392 CO -0.35 -0.47 0.33 0.00 0.00 0.00 0.00 179.25 178.75 3hfa h ALA 393 N 1.28 1.14 -0.73 0.00 0.00 -1.70 -2.66 119.26 116.59 3hfa h ALA 393 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 393 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hfa h ALA 393 CO -0.32 0.63 0.36 0.00 0.00 0.00 0.00 179.25 179.92 3hfa h ALA 394 N 1.25 1.25 0.00 0.00 0.00 0.51 0.35 119.26 122.62 3hfa h ALA 394 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hfa h ALA 394 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hfa h ALA 394 CO -0.03 0.58 0.00 0.52 0.00 0.00 0.00 179.25 180.33 3hfa h MET 395 N 1.04 0.00 -0.31 0.00 2.86 -0.62 -0.60 114.93 117.29 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 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 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 -2.58 2.09 0.00 1.72 1.13 0.01 -4.93 117.38 114.82 3hfa n GLN 396 Ca 0.01 -1.65 0.00 0.00 -1.94 0.00 0.00 57.00 53.41 3hfa n GLN 396 Cb 0.21 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3hfa n GLN 396 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hfa n GLY 397 N 1.29 0.41 2.56 1.08 0.00 -0.23 -5.00 105.19 105.30 3hfa n GLY 397 Ca 0.17 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 7.78 -4.72 0.99 4.77 -0.59 -4.87 117.00 120.35 3hfa n LEU 398 Ca 0.00 -4.89 -0.36 0.00 -0.03 0.00 0.00 56.01 50.73 3hfa n LEU 398 Cb 0.00 -1.37 -0.08 0.00 -2.33 0.00 0.00 43.42 39.65 3hfa n LEU 398 CO 0.00 1.95 -0.06 -0.22 -1.33 0.00 0.00 177.39 177.73 3hfa s LEU 399 N -1.97 4.22 -0.02 2.23 2.96 -1.26 -3.70 118.68 121.14 3hfa s LEU 399 Ca 0.51 0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3hfa s LEU 399 Cb 0.17 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3hfa s LEU 399 CO -0.08 0.10 0.04 0.00 -1.32 0.00 0.00 176.35 175.10 3hfa s ALA 400 N 0.55 -0.10 -0.13 5.97 0.00 -1.26 -1.08 121.76 125.71 3hfa s ALA 400 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3hfa s ALA 400 Cb -0.13 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3hfa s ALA 400 CO 0.03 -0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.09 3hfa s LEU 401 N 0.07 1.77 0.43 0.00 1.43 -0.01 -4.93 118.68 117.43 3hfa s LEU 401 Ca -0.00 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3hfa s LEU 401 Cb -0.01 -1.17 -0.08 0.00 0.03 0.00 0.00 46.19 44.97 3hfa s LEU 401 CO -0.00 -0.00 0.84 -2.16 0.23 0.00 0.00 176.35 175.26 3hfa s PRO 402 N 1.13 3.89 -0.10 1.29 0.05 -1.26 -1.72 135.00 138.29 3hfa s PRO 402 Ca -0.03 0.68 0.04 0.00 0.05 0.00 0.00 61.00 61.75 3hfa s PRO 402 Cb -0.14 -2.31 -0.00 0.00 0.05 0.00 0.00 34.50 32.10 3hfa s PRO 402 CO -0.05 -0.07 -0.24 -1.17 0.05 0.00 0.00 177.00 175.52 3hfa s LEU 403 N -3.74 2.07 -0.17 -3.56 2.96 0.18 -3.64 118.68 112.79 3hfa s LEU 403 Ca 0.55 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3hfa s LEU 403 Cb -0.10 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3hfa s LEU 403 CO 0.28 0.16 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.21 3hfa s LEU 404 N 0.31 3.17 -0.02 -0.68 2.96 0.05 -1.39 118.68 123.08 3hfa s LEU 404 Ca -0.18 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3hfa s LEU 404 Cb -0.18 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3hfa s LEU 404 CO 0.08 0.13 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 3hfa s ALA 405 N 0.58 2.14 0.25 5.97 0.00 -0.21 -0.13 121.76 130.37 3hfa s ALA 405 Ca -0.03 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 3hfa s ALA 405 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3hfa s ALA 405 CO 0.03 0.52 0.60 0.20 0.00 0.00 0.00 175.76 177.10 3hfa s GLY 406 N -0.57 0.15 -0.19 0.00 0.00 0.08 -0.41 107.32 106.39 3hfa s GLY 406 Ca 0.09 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3hfa s GLY 406 CO -0.01 -0.32 -0.13 -0.47 0.00 0.00 0.00 173.10 172.18 3hfa s TYR 407 N -3.95 2.47 -0.61 1.90 5.04 -0.33 0.49 117.35 122.36 3hfa s TYR 407 Ca 0.15 -1.56 -0.25 0.00 -2.44 0.00 0.00 57.07 52.97 3hfa s TYR 407 Cb -0.03 -1.69 0.05 0.00 0.35 0.00 0.00 41.96 40.63 3hfa s TYR 407 CO 0.06 -0.75 1.03 0.34 -1.34 0.00 0.00 175.55 174.90 3hfa s ASP 408 N 1.38 6.28 0.61 4.32 2.15 -0.01 -4.88 116.67 126.52 3hfa s ASP 408 Ca 0.01 -0.48 0.40 0.00 0.43 0.00 0.00 52.55 52.91 3hfa s ASP 408 Cb -0.15 -2.47 2.00 0.00 -0.30 0.00 0.00 42.92 42.01 3hfa s ASP 408 CO -0.09 -1.41 2.21 0.16 -0.17 0.00 0.00 175.17 175.86 3hfa h ILE 409 N 6.03 0.00 -0.02 4.11 3.07 -1.97 -1.88 117.51 126.85 3hfa h ILE 409 Ca -0.27 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3hfa h ILE 409 Cb 1.07 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3hfa h ILE 409 CO 1.16 0.00 -0.05 1.41 -1.05 0.00 0.00 178.15 179.61 3hfa n HIS 410 N -3.04 0.00 -2.15 0.16 8.25 -1.26 -4.95 115.22 112.23 3hfa n HIS 410 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3hfa n HIS 410 Cb 0.16 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.26 3hfa n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfa s ALA 411 N -2.09 2.73 0.03 -1.41 0.00 -0.71 -4.96 121.76 115.35 3hfa s ALA 411 Ca 0.34 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 3hfa s ALA 411 Cb 0.20 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 3hfa s ALA 411 CO 0.36 -0.91 1.35 0.77 0.00 0.00 0.00 175.76 177.33 3hfa h SER 412 N 1.36 -0.40 -3.30 0.00 0.02 -1.92 -3.41 113.55 105.90 3hfa h SER 412 Ca -0.50 -0.12 -0.73 0.00 -0.84 0.00 0.00 61.79 59.59 3hfa h SER 412 Cb 1.27 0.10 -0.25 0.00 0.14 0.00 0.00 62.40 63.66 3hfa h SER 412 CO 0.57 -0.09 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.19 3hfa s ASP 413 N -4.96 5.94 0.61 3.07 2.15 -1.26 -4.95 116.67 117.27 3hfa s ASP 413 Ca -0.15 -1.57 0.31 0.00 0.43 0.00 0.00 52.55 51.57 3hfa s ASP 413 Cb 0.03 -2.11 1.75 0.00 -0.30 0.00 0.00 42.92 42.29 3hfa s ASP 413 CO 0.57 -0.67 2.10 -0.65 -0.17 0.00 0.00 175.17 176.35 3hfa h PRO 414 N 8.63 0.00 -0.28 4.34 0.11 -1.95 -1.23 132.00 141.63 3hfa h PRO 414 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3hfa h PRO 414 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hfa h PRO 414 CO 0.88 0.00 -0.14 1.96 -0.21 0.00 0.00 178.00 180.48 3hfa h GLN 415 N 0.00 0.47 -0.08 1.05 1.08 -1.92 -3.17 115.11 112.54 3hfa h GLN 415 Ca 0.07 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3hfa h GLN 415 Cb 0.48 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3hfa h GLN 415 CO -0.00 0.61 -0.34 -1.13 -0.95 0.00 0.00 178.83 177.02 3hfa n SER 416 N -4.20 2.01 0.00 1.46 3.41 -0.49 -0.60 113.62 115.20 3hfa n SER 416 Ca 0.00 -3.75 0.14 0.00 -0.26 0.00 0.00 58.87 55.00 3hfa n SER 416 Cb 0.33 -0.54 0.72 0.00 -0.26 0.00 0.00 64.21 64.46 3hfa n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfa n ALA 417 N -1.15 2.43 -1.76 7.33 0.00 -1.02 -4.81 120.51 121.53 3hfa n ALA 417 Ca 0.22 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3hfa n ALA 417 Cb 0.76 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.68 2.88 -0.00 0.00 0.00 -1.26 -0.83 107.32 105.42 3hfa s GLY 418 Ca 0.25 1.27 0.02 0.00 0.00 0.00 0.00 44.72 46.25 3hfa s GLY 418 CO 0.47 1.81 -0.05 0.50 0.00 0.00 0.00 173.10 175.82 3hfa s ARG 419 N -2.67 0.44 -0.07 2.90 1.81 0.18 -4.89 118.95 116.65 3hfa s ARG 419 Ca 0.66 -0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.49 3hfa s ARG 419 Cb -0.38 -0.42 0.02 0.00 -0.45 0.00 0.00 34.95 33.71 3hfa s ARG 419 CO 0.47 0.12 -0.09 0.42 -0.68 0.00 0.00 175.30 175.54 3hfa s ILE 420 N -0.13 0.93 -0.05 1.52 1.01 -1.26 -0.74 121.20 122.48 3hfa s ILE 420 Ca 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3hfa s ILE 420 Cb -0.02 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.57 3hfa s ILE 420 CO -0.00 0.32 -0.10 -0.69 0.00 0.00 0.00 174.94 174.46 3hfa s VAL 421 N 0.92 0.96 0.20 2.92 1.01 0.82 -0.50 120.40 126.72 3hfa s VAL 421 Ca -0.10 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3hfa s VAL 421 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3hfa s VAL 421 CO 0.01 0.31 0.07 -0.94 0.00 0.00 0.00 175.10 174.55 3hfa s SER 422 N 0.60 5.10 0.01 3.32 1.04 -0.46 -0.77 113.70 122.54 3hfa s SER 422 Ca -0.11 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.03 3hfa s SER 422 Cb -0.14 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.78 3hfa s SER 422 CO 0.02 0.05 -0.09 -0.36 0.98 0.00 0.00 173.24 173.84 3hfa s PHE 423 N -1.88 0.82 0.45 5.02 0.08 -1.24 -0.93 117.98 120.31 3hfa s PHE 423 Ca 0.30 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.18 3hfa s PHE 423 Cb -0.09 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 3hfa s PHE 423 CO 0.21 -0.01 0.53 0.16 -0.10 0.00 0.00 175.22 176.01 3hfa s ASP 424 N -0.65 5.29 0.45 1.36 1.47 -0.03 -4.72 116.67 119.84 3hfa s ASP 424 Ca 0.00 -0.66 0.31 0.00 1.18 0.00 0.00 52.55 53.38 3hfa s ASP 424 Cb -0.05 -0.40 1.48 0.00 -0.34 0.00 0.00 42.92 43.61 3hfa s ASP 424 CO 0.00 -0.84 1.93 0.00 0.68 0.00 0.00 175.17 176.94 3hfa h ALA 425 N 0.70 1.00 -0.23 2.11 0.00 -1.92 -1.69 119.26 119.23 3hfa h ALA 425 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hfa h ALA 425 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hfa h ALA 425 CO 0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3hfa n ALA 426 N -1.93 2.47 -0.12 0.00 0.00 -1.26 -4.41 120.51 115.26 3hfa n ALA 426 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3hfa n ALA 426 Cb 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.35 0.65 3.76 0.00 0.00 -0.64 -4.54 105.19 105.78 3hfa n GLY 427 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hfa n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfa s GLY 428 N -1.32 2.88 0.07 -0.02 0.00 -1.25 -4.73 107.32 102.95 3hfa s GLY 428 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 44.72 45.98 3hfa s GLY 428 CO 0.00 1.77 -0.10 0.66 0.00 0.00 0.00 173.10 175.44 3hfa s TRP 429 N -1.32 0.90 -0.05 1.90 1.48 -1.26 -0.85 118.94 119.74 3hfa s TRP 429 Ca 0.62 -0.57 -0.02 0.00 -1.06 0.00 0.00 56.10 55.08 3hfa s TRP 429 Cb -0.37 -0.52 0.04 0.00 -1.16 0.00 0.00 33.47 31.46 3hfa s TRP 429 CO 0.47 -0.04 0.09 1.21 -4.06 0.00 0.00 176.95 174.62 3hfa s ASN 430 N -1.96 0.43 -0.39 -2.66 2.47 -0.11 -4.98 114.94 107.75 3hfa s ASN 430 Ca -0.03 0.17 -0.29 0.00 0.42 0.00 0.00 52.86 53.14 3hfa s ASN 430 Cb -0.07 0.04 0.02 0.00 -1.45 0.00 0.00 41.25 39.80 3hfa s ASN 430 CO 0.00 -0.19 1.09 -0.63 -3.72 0.00 0.00 177.10 173.66 3hfa s ILE 431 N 1.62 4.39 0.16 -5.21 1.01 -1.26 -1.35 121.20 120.56 3hfa s ILE 431 Ca -0.03 1.50 -0.31 0.00 0.00 0.00 0.00 60.65 61.80 3hfa s ILE 431 Cb -0.12 -4.49 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 3hfa s ILE 431 CO -0.04 -0.70 1.46 -0.70 0.00 0.00 0.00 174.94 174.96 3hfa s GLU 432 N 3.96 4.27 0.00 2.79 2.56 0.34 -4.93 118.70 127.70 3hfa s GLU 432 Ca 0.46 2.22 0.05 0.00 0.00 0.00 0.00 54.97 57.70 3hfa s GLU 432 Cb -0.10 -3.19 0.12 0.00 2.00 0.00 0.00 34.13 32.96 3hfa s GLU 432 CO 0.22 -0.49 0.99 0.39 -0.56 0.00 0.00 175.26 175.82 3hfa n GLU 433 N 3.63 1.99 -0.06 4.30 1.02 -1.26 -4.63 120.64 125.64 3hfa n GLU 433 Ca 0.11 -1.50 0.07 0.00 -0.02 0.00 0.00 57.16 55.83 3hfa n GLU 433 Cb 0.40 -1.13 0.09 0.00 -0.02 0.00 0.00 31.44 30.79 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 0.10 1.46 0.00 3.49 1.02 -1.26 -5.00 120.64 120.45 3hfa n GLU 434 Ca 0.05 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 3hfa n GLU 434 Cb 0.28 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.81 2.97 3.56 0.62 0.00 -1.26 -5.03 105.19 106.86 3hfa n GLY 435 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.68 -0.15 0.17 1.61 -0.85 -1.26 -0.38 117.35 113.81 3hfa s TYR 436 Ca 0.00 -0.20 -0.23 0.00 -0.52 0.00 0.00 57.07 56.12 3hfa s TYR 436 Cb 0.00 0.44 0.06 0.00 0.38 0.00 0.00 41.96 42.85 3hfa s TYR 436 CO 0.00 -0.96 0.69 -1.14 -1.52 0.00 0.00 175.55 172.62 3hfa s GLN 437 N -3.87 1.35 -0.03 -3.49 2.00 -0.22 -4.96 119.66 110.44 3hfa s GLN 437 Ca 0.09 -0.60 -0.21 0.00 -2.00 0.00 0.00 55.36 52.64 3hfa s GLN 437 Cb -0.02 0.56 0.04 0.00 0.80 0.00 0.00 33.01 34.39 3hfa s GLN 437 CO -0.02 -0.60 0.46 0.00 -0.50 0.00 0.00 175.29 174.63 3hfa s ALA 438 N -3.68 -1.18 0.05 1.58 0.00 -1.26 -1.32 121.76 115.95 3hfa s ALA 438 Ca 0.05 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3hfa s ALA 438 Cb -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3hfa s ALA 438 CO -0.06 -0.31 -0.08 0.54 0.00 0.00 0.00 175.76 175.85 3hfa s VAL 439 N -1.30 0.62 0.00 0.00 0.11 -0.28 -4.87 120.40 114.69 3hfa s VAL 439 Ca -0.12 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 3hfa s VAL 439 Cb -0.03 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3hfa s VAL 439 CO 0.06 -0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 3hfa n GLY 440 N 1.31 1.43 0.34 6.54 0.00 -1.26 -1.08 105.19 112.46 3hfa n GLY 440 Ca -0.22 -2.23 0.20 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.22 1.61 4.64 -1.24 -1.35 113.55 116.98 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 -1.14 3.70 0.26 -0.77 0.00 -1.15 -4.73 105.19 101.36 3hfa n GLY 442 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.25 3hfa n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 443 N 1.45 0.34 -0.35 1.61 4.64 -1.48 -2.06 113.55 117.70 3hfa h SER 443 Ca 0.00 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 3hfa h SER 443 Cb 1.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hfa h SER 443 CO 0.11 0.41 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.01 3hfa h LEU 444 N 0.36 0.96 -0.53 5.97 4.07 -1.85 -1.48 115.31 122.81 3hfa h LEU 444 Ca 0.08 -0.48 -0.13 0.00 0.08 0.00 0.00 57.88 57.43 3hfa h LEU 444 Cb 0.27 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3hfa h LEU 444 CO 0.01 1.25 -0.20 -0.26 -1.08 0.00 0.00 178.44 178.15 3hfa h PHE 445 N 0.69 1.12 -0.57 1.13 0.04 -1.86 -1.58 116.94 115.91 3hfa h PHE 445 Ca 0.05 -0.26 -0.07 0.00 2.80 0.00 0.00 57.97 60.49 3hfa h PHE 445 Cb 1.00 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 3hfa h PHE 445 CO 0.07 1.08 0.09 0.00 -0.60 0.00 0.00 178.31 178.95 3hfa h ALA 446 N 0.91 0.75 -0.06 2.45 0.00 -1.33 -2.13 119.26 119.85 3hfa h ALA 446 Ca 0.11 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 446 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hfa h ALA 446 CO 0.06 0.50 -0.66 0.87 0.00 0.00 0.00 179.25 180.03 3hfa h LYS 447 N 0.84 0.24 0.00 0.00 1.57 -1.17 -0.82 116.57 117.22 3hfa h LYS 447 Ca 0.17 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3hfa h LYS 447 Cb 0.42 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3hfa h LYS 447 CO 0.01 0.81 -0.52 0.77 -0.57 0.00 0.00 179.45 179.95 3hfa h SER 448 N 0.17 0.00 -0.02 0.86 0.02 -1.23 -0.87 113.55 112.48 3hfa h SER 448 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3hfa h SER 448 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3hfa h SER 448 CO 0.10 0.52 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.98 3hfa h SER 449 N 0.00 0.08 -0.51 3.07 0.87 -1.18 -3.24 113.55 112.64 3hfa h SER 449 Ca -0.01 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 59.94 3hfa h SER 449 Cb 0.99 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 3hfa h SER 449 CO 0.07 0.67 0.30 0.24 -0.53 0.00 0.00 176.83 177.58 3hfa h MET 450 N -0.50 0.73 -0.99 2.24 2.07 -1.09 -1.40 114.93 115.98 3hfa h MET 450 Ca -0.00 -0.07 0.20 0.00 -2.07 0.00 0.00 59.70 57.76 3hfa h MET 450 Cb 0.66 -0.15 -0.10 0.00 -1.87 0.00 0.00 31.60 30.14 3hfa h MET 450 CO 0.01 0.53 0.62 -0.22 1.07 0.00 0.00 176.91 178.92 3hfa h LYS 451 N 0.74 0.66 0.00 1.72 3.64 -1.18 0.25 116.57 122.40 3hfa h LYS 451 Ca 0.19 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 3hfa h LYS 451 Cb 0.01 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 3hfa h LYS 451 CO -0.03 0.44 -1.33 0.87 -2.27 0.00 0.00 179.45 177.12 3hfa h LYS 452 N 0.68 0.00 0.00 1.90 1.79 -1.33 -3.39 116.57 116.22 3hfa h LYS 452 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3hfa h LYS 452 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3hfa h LYS 452 CO -0.35 0.55 -1.47 1.28 -1.08 0.00 0.00 179.45 178.38 3hfa n LEU 453 N -3.09 0.42 0.26 2.94 4.77 -0.63 -4.54 117.00 117.14 3hfa n LEU 453 Ca -0.09 -0.05 0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3hfa n LEU 453 Cb 0.93 -0.03 0.68 0.00 -2.33 0.00 0.00 43.42 42.67 3hfa n LEU 453 CO 0.44 0.03 1.04 0.22 -1.33 0.00 0.00 177.39 177.80 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.74 -0.48 116.97 117.18 3hfa h TYR 454 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hfa h TYR 454 Cb 0.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3hfa h TYR 454 CO 0.00 0.04 0.00 0.66 -1.64 0.00 0.00 178.16 177.22 3hfa h SER 455 N 0.00 0.00 0.50 -2.11 4.64 -1.83 -0.93 113.55 113.81 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hfa h SER 455 CO 0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.80 3hfa n GLN 456 N -2.65 0.44 -2.71 4.77 6.02 -0.19 -4.82 117.38 118.24 3hfa n GLN 456 Ca -0.01 -0.16 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 3hfa n GLN 456 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.67 4.60 0.00 5.09 1.01 -0.36 -4.80 120.40 123.27 3hfa s VAL 457 Ca 0.23 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3hfa s VAL 457 Cb 0.19 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3hfa s VAL 457 CO 0.53 -0.38 0.00 0.35 0.00 0.00 0.00 175.10 175.60 3hfa n THR 458 N 5.71 0.00 -3.82 3.92 -2.24 -1.26 -4.88 114.28 111.72 3hfa n THR 458 Ca 0.10 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3hfa n THR 458 Cb 0.47 0.97 0.02 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 -0.39 0.01 0.34 3.42 1.47 -1.26 -4.55 116.67 115.71 3hfa s ASP 459 Ca 0.00 -1.09 0.02 0.00 1.18 0.00 0.00 52.55 52.66 3hfa s ASP 459 Cb 0.00 0.80 0.60 0.00 -0.34 0.00 0.00 42.92 43.98 3hfa s ASP 459 CO 0.00 -1.60 1.99 1.23 0.68 0.00 0.00 175.17 177.47 3hfa h GLY 460 N 2.00 0.91 0.67 2.12 0.00 -1.95 0.14 103.07 106.96 3hfa h GLY 460 Ca -0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 3hfa h GLY 460 CO 0.40 0.35 -0.06 -1.80 0.00 0.00 0.00 176.54 175.43 3hfa h ASP 461 N 0.87 -0.14 0.01 0.19 1.82 -1.99 0.05 116.42 117.22 3hfa h ASP 461 Ca 0.23 -0.27 -0.09 0.00 -0.39 0.00 0.00 57.03 56.52 3hfa h ASP 461 Cb -0.06 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 3hfa h ASP 461 CO -0.05 0.20 -0.25 0.77 -1.61 0.00 0.00 179.24 178.31 3hfa h SER 462 N -0.50 0.39 -0.57 2.28 4.64 -1.88 -1.81 113.55 116.10 3hfa h SER 462 Ca -0.02 -0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3hfa h SER 462 Cb 0.40 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3hfa h SER 462 CO 0.03 0.64 0.36 1.23 -0.87 0.00 0.00 176.83 178.22 3hfa h GLY 463 N 1.01 0.81 0.98 -0.77 0.00 -0.78 -0.96 103.07 103.35 3hfa h GLY 463 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3hfa h GLY 463 CO 0.05 0.25 0.17 -2.00 0.00 0.00 0.00 176.54 175.00 3hfa h LEU 464 N 0.72 0.75 -0.45 3.11 5.85 -0.68 -1.63 115.31 122.97 3hfa h LEU 464 Ca 0.22 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hfa h LEU 464 Cb -0.02 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hfa h LEU 464 CO -0.08 0.75 0.28 -0.09 -0.34 0.00 0.00 178.44 178.96 3hfa h ARG 465 N 0.70 0.61 -0.78 1.25 2.43 -1.01 -0.91 114.38 116.67 3hfa h ARG 465 Ca 0.17 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hfa h ARG 465 Cb 0.27 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3hfa h ARG 465 CO -0.01 0.44 0.29 0.28 -1.51 0.00 0.00 179.97 179.46 3hfa h VAL 466 N 0.60 1.26 -0.71 0.20 2.07 -1.05 -0.49 116.25 118.13 3hfa h VAL 466 Ca 0.16 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3hfa h VAL 466 Cb -0.02 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3hfa h VAL 466 CO -0.03 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.17 3hfa h ALA 467 N 1.17 1.14 -0.17 1.67 0.00 -0.86 0.14 119.26 122.36 3hfa h ALA 467 Ca 0.26 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3hfa h ALA 467 Cb 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 467 CO -0.02 0.61 -0.67 0.28 0.00 0.00 0.00 179.25 179.45 3hfa h VAL 468 N 1.03 1.31 -0.18 0.00 2.07 -0.90 -2.62 116.25 116.96 3hfa h VAL 468 Ca 0.24 -1.93 -0.13 0.00 0.82 0.00 0.00 66.70 65.70 3hfa h VAL 468 Cb 0.21 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3hfa h VAL 468 CO -0.02 0.60 -0.44 -0.08 0.02 0.00 0.00 177.57 177.66 3hfa h GLU 469 N 0.47 0.45 -0.79 1.57 4.81 -0.80 -0.74 114.58 119.55 3hfa h GLU 469 Ca -0.02 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3hfa h GLU 469 Cb 1.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 3hfa h GLU 469 CO 0.13 0.80 0.48 0.00 -0.73 0.00 0.00 179.01 179.69 3hfa h ALA 470 N 1.17 1.01 -0.13 2.92 0.00 -0.66 -0.91 119.26 122.66 3hfa h ALA 470 Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3hfa h ALA 470 Cb 0.92 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hfa h ALA 470 CO 0.08 0.47 -0.47 -0.07 0.00 0.00 0.00 179.25 179.26 3hfa h LEU 471 N 1.09 0.35 -0.48 0.00 3.38 -1.19 -1.66 115.31 116.79 3hfa h LEU 471 Ca 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hfa h LEU 471 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hfa h LEU 471 CO -0.05 0.77 0.07 0.22 0.09 0.00 0.00 178.44 179.54 3hfa h TYR 472 N 0.26 0.86 -0.02 1.13 3.20 -0.58 -1.39 116.97 120.43 3hfa h TYR 472 Ca 0.01 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 3hfa h TYR 472 Cb 0.93 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3hfa h TYR 472 CO 0.02 0.79 -0.49 -0.44 -1.64 0.00 0.00 178.16 176.40 3hfa h ASP 473 N 0.67 0.06 -0.36 -2.11 3.32 -1.09 -0.83 116.42 116.09 3hfa h ASP 473 Ca 0.15 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 3hfa h ASP 473 Cb 0.41 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hfa h ASP 473 CO 0.01 0.55 -0.20 0.00 -1.72 0.00 0.00 179.24 177.88 3hfa h ALA 474 N 1.46 0.84 0.00 3.45 0.00 -0.97 -2.67 119.26 121.37 3hfa h ALA 474 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 3hfa h ALA 474 Cb 0.89 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hfa h ALA 474 CO 0.07 0.64 -0.77 0.00 0.00 0.00 0.00 179.25 179.19 3hfa h ALA 475 N 1.04 0.56 -0.32 0.00 0.00 -1.07 -0.93 119.26 118.54 3hfa h ALA 475 Ca 0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3hfa h ALA 475 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hfa h ALA 475 CO 0.06 0.96 0.02 0.22 0.00 0.00 0.00 179.25 180.50 3hfa h ASP 476 N 0.00 0.45 0.00 0.00 3.58 -0.98 -3.29 116.42 116.18 3hfa h ASP 476 Ca -0.01 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.37 3hfa h ASP 476 Cb 1.51 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.45 3hfa h ASP 476 CO 0.10 0.50 -0.79 0.47 -2.88 0.00 0.00 179.24 176.64 3hfa n ASP 477 N -4.31 0.92 -3.94 2.28 8.00 -1.02 -4.92 116.55 113.55 3hfa n ASP 477 Ca 0.01 -0.61 -0.30 0.00 0.71 0.00 0.00 54.79 54.61 3hfa n ASP 477 Cb 0.22 1.13 -0.16 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.43 3.31 0.49 -2.24 2.15 -0.36 -5.00 116.67 112.60 3hfa s ASP 478 Ca 0.03 -0.88 0.33 0.00 0.43 0.00 0.00 52.55 52.45 3hfa s ASP 478 Cb 0.09 -1.11 1.50 0.00 -0.30 0.00 0.00 42.92 43.11 3hfa s ASP 478 CO 0.50 -0.18 1.98 0.77 -0.17 0.00 0.00 175.17 178.07 3hfa h SER 479 N 8.02 0.00 0.19 -0.34 4.64 -1.86 -1.68 113.55 122.53 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 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hfa h SER 479 CO 0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.34 3hfa n ALA 480 N -1.99 2.70 -2.75 5.18 0.00 -1.26 -4.75 120.51 117.63 3hfa n ALA 480 Ca -0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3hfa n ALA 480 Cb 0.21 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 3hfa n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hfa s THR 481 N -2.25 3.47 -0.07 0.00 2.01 -0.63 -0.78 115.64 117.39 3hfa s THR 481 Ca 0.36 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 3hfa s THR 481 Cb 0.21 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3hfa s THR 481 CO 0.42 0.56 0.35 -0.83 -0.69 0.00 0.00 174.62 174.43 3hfa s GLY 482 N -0.30 2.36 0.77 4.40 0.00 -1.26 -4.53 107.32 108.76 3hfa s GLY 482 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 44.72 44.37 3hfa s GLY 482 CO 0.03 0.23 1.07 -0.32 0.00 0.00 0.00 173.10 174.11 3hfa s GLY 483 N -0.46 1.76 0.22 0.20 0.00 -1.26 -4.54 107.32 103.24 3hfa s GLY 483 Ca 0.21 -1.44 -0.32 0.00 0.00 0.00 0.00 44.72 43.17 3hfa s GLY 483 CO 0.09 -0.86 1.59 -1.05 0.00 0.00 0.00 173.10 172.87 3hfa n PRO 484 N -3.06 2.42 -3.47 2.90 -0.02 -1.26 -4.91 135.00 127.60 3hfa n PRO 484 Ca 0.13 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 3hfa n PRO 484 Cb 0.60 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.77 5.88 0.26 2.55 -1.08 0.09 -4.93 116.67 120.22 3hfa s ASP 485 Ca 0.73 -1.89 0.12 0.00 -0.52 0.00 0.00 52.55 50.99 3hfa s ASP 485 Cb -0.59 -2.08 0.27 0.00 -1.46 0.00 0.00 42.92 39.06 3hfa s ASP 485 CO 0.41 -0.75 1.54 -0.07 0.52 0.00 0.00 175.17 176.82 3hfa h LEU 486 N 8.59 0.00 -0.10 -1.34 4.07 -1.93 0.28 115.31 124.89 3hfa h LEU 486 Ca -0.24 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.70 3hfa h LEU 486 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3hfa h LEU 486 CO 0.92 0.63 -0.05 0.58 -1.08 0.00 0.00 178.44 179.45 3hfa h VAL 487 N 0.00 1.32 0.00 1.22 2.07 -1.97 -3.25 116.25 115.65 3hfa h VAL 487 Ca -0.01 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hfa h VAL 487 Cb 1.24 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3hfa h VAL 487 CO 0.08 0.30 -0.60 0.03 0.02 0.00 0.00 177.57 177.40 3hfa h ARG 488 N -0.16 0.00 -3.17 1.57 3.08 -1.99 -3.48 114.38 110.24 3hfa h ARG 488 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3hfa h ARG 488 Cb 0.50 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.61 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 1.22 0.25 3.29 0.04 0.00 0.90 -5.05 105.19 105.83 3hfa n GLY 489 Ca 0.02 -0.28 -0.32 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 2.56 0.26 -0.61 1.01 -0.62 -5.00 121.20 115.66 3hfa s ILE 490 Ca 0.11 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3hfa s ILE 490 Cb -0.05 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3hfa s ILE 490 CO 0.28 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.40 3hfa s PHE 491 N 0.38 1.72 0.74 3.97 0.08 -1.26 -0.73 117.98 122.87 3hfa s PHE 491 Ca -0.14 -0.87 -0.15 0.00 0.12 0.00 0.00 56.93 55.88 3hfa s PHE 491 Cb -0.17 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3hfa s PHE 491 CO 0.07 0.05 1.20 -2.30 -0.10 0.00 0.00 175.22 174.13 3hfa n PRO 492 N -0.50 0.55 -3.96 0.24 -0.02 -1.26 -4.83 135.00 125.23 3hfa n PRO 492 Ca -0.05 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.44 3hfa n PRO 492 Cb 0.64 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.82 5.27 0.00 3.45 -4.23 -0.74 -4.93 115.64 112.64 3hfa s THR 493 Ca 0.77 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 60.39 3hfa s THR 493 Cb -0.33 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.76 3hfa s THR 493 CO 0.47 -0.16 0.19 0.00 -0.54 0.00 0.00 174.62 174.59 3hfa s ALA 494 N -1.81 -0.46 -0.03 3.99 0.00 -1.26 -1.24 121.76 120.95 3hfa s ALA 494 Ca 0.34 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.33 3hfa s ALA 494 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 494 CO 0.28 -0.24 -0.18 0.08 0.00 0.00 0.00 175.76 175.71 3hfa s VAL 495 N -1.53 1.42 -0.08 0.00 1.01 0.51 -0.42 120.40 121.32 3hfa s VAL 495 Ca -0.13 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 495 Cb -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3hfa s VAL 495 CO 0.02 0.41 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 3hfa s ILE 496 N -0.20 3.08 -0.10 2.22 1.01 -0.42 -1.11 121.20 125.68 3hfa s ILE 496 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3hfa s ILE 496 Cb -0.09 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3hfa s ILE 496 CO 0.01 0.57 -0.13 -0.63 0.00 0.00 0.00 174.94 174.76 3hfa s ILE 497 N -0.37 1.30 0.00 2.92 1.01 -0.22 -0.74 121.20 125.11 3hfa s ILE 497 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3hfa s ILE 497 Cb -0.12 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3hfa s ILE 497 CO 0.02 0.40 0.00 -0.90 0.00 0.00 0.00 174.94 174.47 3hfa n ASP 498 N 4.35 0.45 0.29 3.58 5.68 -1.13 -1.29 116.55 128.49 3hfa n ASP 498 Ca -0.18 -0.04 0.14 0.00 -0.50 0.00 0.00 54.79 54.21 3hfa n ASP 498 Cb 0.51 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.37 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 1.55 -0.06 2.12 0.00 -1.95 0.79 119.26 122.71 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 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 499 CO 0.00 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3hfa n ASP 500 N -3.89 0.98 0.00 0.00 8.00 -1.26 -5.03 116.55 115.35 3hfa n ASP 500 Ca -0.03 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3hfa n ASP 500 Cb 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.05 0.58 3.72 0.44 0.00 0.27 -4.99 105.19 106.26 3hfa n GLY 501 Ca 0.18 -2.15 -0.40 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 -1.07 3.31 0.03 4.61 0.00 0.81 -2.84 121.76 126.61 3hfa s ALA 502 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3hfa s ALA 502 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 3hfa s ALA 502 CO 0.00 -0.10 -0.07 0.14 0.00 0.00 0.00 175.76 175.73 3hfa s VAL 503 N 0.71 0.53 0.18 0.00 -7.23 0.08 -4.97 120.40 109.71 3hfa s VAL 503 Ca 0.40 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 3hfa s VAL 503 Cb -0.19 -0.54 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 3hfa s VAL 503 CO 0.21 -0.20 1.26 -1.81 -0.31 0.00 0.00 175.10 174.25 3hfa s ASP 504 N -1.08 6.98 0.05 4.85 1.01 -1.26 -1.29 116.67 125.93 3hfa s ASP 504 Ca -0.05 2.30 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 3hfa s ASP 504 Cb -0.07 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.00 -0.47 1.02 -0.69 0.21 0.00 0.00 175.17 175.24 3hfa s VAL 505 N 0.18 4.57 0.32 -1.27 1.01 0.45 -4.90 120.40 120.76 3hfa s VAL 505 Ca 0.56 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 64.19 3hfa s VAL 505 Cb -0.34 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 3hfa s VAL 505 CO 0.36 0.21 1.55 -2.84 0.00 0.00 0.00 175.10 174.38 3hfa s PRO 506 N 0.63 4.12 0.30 2.72 0.02 -1.26 -4.60 135.00 136.93 3hfa s PRO 506 Ca 0.51 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.17 3hfa s PRO 506 Cb -0.24 -3.00 0.77 0.00 0.02 0.00 0.00 34.50 32.05 3hfa s PRO 506 CO 0.29 -0.59 1.75 1.49 -0.33 0.00 0.00 177.00 179.61 3hfa h GLU 507 N 4.14 0.62 -0.82 5.54 4.81 -1.94 -1.97 114.58 124.96 3hfa h GLU 507 Ca -0.48 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3hfa h GLU 507 Cb 1.23 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 3hfa h GLU 507 CO 0.73 0.41 0.54 0.66 -0.73 0.00 0.00 179.01 180.62 3hfa h SER 508 N 0.64 0.88 -0.15 1.04 4.64 -1.99 0.77 113.55 119.38 3hfa h SER 508 Ca 0.59 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.73 3hfa h SER 508 Cb 1.02 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3hfa h SER 508 CO -0.43 0.61 -0.55 -0.09 -0.87 0.00 0.00 176.83 175.50 3hfa h ARG 509 N 1.02 0.73 -0.43 4.77 2.43 -1.74 -1.93 114.38 119.24 3hfa h ARG 509 Ca 0.33 -0.46 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 3hfa h ARG 509 Cb 0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hfa h ARG 509 CO -0.09 1.09 -0.10 0.82 -1.51 0.00 0.00 179.97 180.17 3hfa h ILE 510 N 0.56 1.27 -0.66 1.20 2.04 -1.25 -1.94 117.51 118.74 3hfa h ILE 510 Ca 0.01 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.73 3hfa h ILE 510 Cb 1.12 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3hfa h ILE 510 CO 0.11 0.41 0.36 0.00 0.00 0.00 0.00 178.15 179.03 3hfa h ALA 511 N 0.86 0.88 -0.35 1.87 0.00 -0.80 0.95 119.26 122.68 3hfa h ALA 511 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hfa h ALA 511 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hfa h ALA 511 CO 0.04 0.03 0.17 1.49 0.00 0.00 0.00 179.25 180.98 3hfa h GLU 512 N 0.66 0.49 -0.32 0.00 4.81 -1.18 -0.88 114.58 118.18 3hfa h GLU 512 Ca 0.30 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3hfa h GLU 512 Cb 0.20 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3hfa h GLU 512 CO -0.19 0.44 0.15 -0.07 -0.73 0.00 0.00 179.01 178.61 3hfa h LEU 513 N 0.43 0.21 -0.65 1.64 4.07 -0.87 -1.63 115.31 118.50 3hfa h LEU 513 Ca 0.12 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.16 3hfa h LEU 513 Cb 0.10 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 3hfa h LEU 513 CO -0.02 0.16 0.35 0.00 -1.08 0.00 0.00 178.44 177.85 3hfa h ALA 514 N 1.17 0.87 -0.63 1.53 0.00 -0.50 -0.90 119.26 120.79 3hfa h ALA 514 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 514 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hfa h ALA 514 CO -0.10 0.00 0.19 0.00 0.00 0.00 0.00 179.25 179.34 3hfa h ARG 515 N 0.64 0.99 -0.36 0.00 3.08 -0.85 -0.58 114.38 117.29 3hfa h ARG 515 Ca 0.30 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hfa h ARG 515 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hfa h ARG 515 CO -0.20 0.88 0.20 0.00 -1.07 0.00 0.00 179.97 179.77 3hfa h ALA 516 N 1.07 0.47 -0.27 0.04 0.00 -0.89 0.12 119.26 119.81 3hfa h ALA 516 Ca 0.20 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 516 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 516 CO -0.01 -0.00 0.12 0.82 0.00 0.00 0.00 179.25 180.19 3hfa h ILE 517 N 0.46 0.98 0.02 0.00 2.04 -0.92 0.83 117.51 120.93 3hfa h ILE 517 Ca 0.13 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3hfa h ILE 517 Cb 0.07 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3hfa h ILE 517 CO -0.02 0.05 -0.01 0.40 0.00 0.00 0.00 178.15 178.57 3hfa h ILE 518 N 0.27 0.98 -0.76 -0.67 2.04 -0.83 -2.09 117.51 116.45 3hfa h ILE 518 Ca 0.11 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3hfa h ILE 518 Cb 0.04 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3hfa h ILE 518 CO -0.08 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.21 3hfa h GLU 519 N -0.04 0.88 -0.38 2.37 5.08 -0.58 -2.11 114.58 119.81 3hfa h GLU 519 Ca -0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3hfa h GLU 519 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3hfa h GLU 519 CO 0.00 0.58 0.25 1.03 -1.00 0.00 0.00 179.01 179.88 3hfa h SER 520 N 0.91 0.38 0.25 1.42 0.87 -0.46 -2.30 113.55 114.61 3hfa h SER 520 Ca 0.31 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3hfa h SER 520 Cb 0.05 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3hfa h SER 520 CO -0.13 0.27 -0.44 0.54 -0.53 0.00 0.00 176.83 176.55 3hfa n ARG 521 N -4.48 0.57 -0.27 2.24 1.74 -0.82 -4.98 116.66 110.66 3hfa n ARG 521 Ca 0.03 -0.38 -0.06 0.00 -0.77 0.00 0.00 57.85 56.67 3hfa n ARG 521 Cb 0.12 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.11 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hfa n SER 522 N -0.88 -0.88 0.00 0.55 7.64 -0.84 -5.10 113.62 114.11 3hfa n SER 522 Ca 0.09 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.20 3hfa n SER 522 Cb 0.36 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3hfa n SER 522 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64