#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 0.30 -0.07 12.58 2.01 -1.26 -0.57 115.64 128.63 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 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.21 3hfa s THR 302 CO 0.00 0.13 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.30 3hfa s ILE 303 N 0.43 1.18 0.18 1.82 1.01 -0.24 -2.29 121.20 123.29 3hfa s ILE 303 Ca -0.04 -0.50 0.11 0.00 0.00 0.00 0.00 60.65 60.22 3hfa s ILE 303 Cb -0.08 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3hfa s ILE 303 CO -0.01 0.37 -0.23 0.68 0.00 0.00 0.00 174.94 175.75 3hfa s VAL 304 N 0.72 2.23 -0.08 2.92 -7.23 -0.01 -1.00 120.40 117.94 3hfa s VAL 304 Ca -0.13 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 57.99 3hfa s VAL 304 Cb -0.16 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.76 3hfa s VAL 304 CO 0.03 -0.12 0.24 0.00 -0.31 0.00 0.00 175.10 174.94 3hfa s ALA 305 N -1.63 -0.58 -0.02 1.32 0.00 -0.57 -1.09 121.76 119.19 3hfa s ALA 305 Ca 0.19 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 3hfa s ALA 305 Cb -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3hfa s ALA 305 CO 0.09 -0.13 0.30 -0.48 0.00 0.00 0.00 175.76 175.54 3hfa s LEU 306 N -0.07 0.87 0.02 0.00 0.05 -0.36 -1.08 118.68 118.12 3hfa s LEU 306 Ca -0.02 0.12 -0.20 0.00 0.05 0.00 0.00 54.13 54.08 3hfa s LEU 306 Cb -0.02 1.23 -0.06 0.00 -2.05 0.00 0.00 46.19 45.29 3hfa s LEU 306 CO 0.01 -0.42 0.60 -0.54 -0.55 0.00 0.00 176.35 175.45 3hfa s LYS 307 N -1.21 4.29 0.29 1.48 1.02 0.33 -0.83 119.74 125.13 3hfa s LYS 307 Ca -0.13 0.76 0.05 0.00 0.02 0.00 0.00 55.97 56.67 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 -0.01 1.52 -0.92 0.00 0.00 175.35 176.42 3hfa s TYR 308 N -0.48 1.92 -0.20 3.18 -0.85 -0.52 -4.94 117.35 115.47 3hfa s TYR 308 Ca 0.31 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 3hfa s TYR 308 Cb -0.19 -1.16 -0.06 0.00 0.38 0.00 0.00 41.96 40.93 3hfa s TYR 308 CO 0.18 0.16 2.19 -2.30 -1.52 0.00 0.00 175.55 174.27 3hfa n PRO 309 N -0.60 2.01 0.00 -3.49 -0.02 -1.26 -1.47 135.00 130.16 3hfa n PRO 309 Ca -0.04 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3hfa n PRO 309 Cb 0.65 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 3hfa n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfa n GLY 310 N 5.66 0.21 0.00 -1.23 0.00 0.26 -4.72 105.19 105.37 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 -1.86 1.15 3.08 -0.02 0.00 -0.54 -4.14 105.19 102.86 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 -2.23 0.10 0.02 1.61 0.11 -0.29 -1.43 120.40 118.28 3hfa s VAL 312 Ca 0.00 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 3hfa s VAL 312 Cb 0.00 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 3hfa s VAL 312 CO 0.00 -0.44 -0.17 0.54 -3.33 0.00 0.00 175.10 171.70 3hfa s VAL 313 N -1.60 1.32 -0.03 2.04 0.11 -0.01 -1.15 120.40 121.09 3hfa s VAL 313 Ca -0.14 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 3hfa s VAL 313 Cb -0.07 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.64 3hfa s VAL 313 CO 0.00 0.18 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.56 3hfa s MET 314 N -0.89 0.90 0.02 1.54 1.75 -0.23 -1.23 119.30 121.17 3hfa s MET 314 Ca 0.05 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.24 3hfa s MET 314 Cb -0.07 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.73 3hfa s MET 314 CO 0.01 0.07 -0.03 0.00 -0.65 0.00 0.00 175.02 174.42 3hfa s ALA 315 N 0.32 0.19 0.04 4.11 0.00 -0.25 -0.24 121.76 125.93 3hfa s ALA 315 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3hfa s ALA 315 Cb -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3hfa s ALA 315 CO 0.00 -0.07 -0.04 0.20 0.00 0.00 0.00 175.76 175.85 3hfa s GLY 316 N -1.00 0.38 0.63 0.00 0.00 -0.30 -0.83 107.32 106.19 3hfa s GLY 316 Ca -0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 3hfa s GLY 316 CO -0.00 -0.88 0.80 2.09 0.00 0.00 0.00 173.10 175.11 3hfa n ASP 317 N 1.16 -0.19 0.00 1.64 5.75 -0.97 -1.59 116.55 122.35 3hfa n ASP 317 Ca -0.21 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3hfa n ASP 317 Cb 0.57 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -2.86 0.36 -3.43 0.11 5.12 -1.26 -4.52 116.66 110.18 3hfa n ARG 318 Ca 0.10 -0.76 -0.35 0.00 -1.93 0.00 0.00 57.85 54.90 3hfa n ARG 318 Cb 0.36 -0.93 -0.06 0.00 -1.16 0.00 0.00 32.46 30.67 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 -0.31 3.91 0.02 5.56 3.52 -1.26 -1.43 118.95 128.95 3hfa s ARG 319 Ca 0.00 0.39 0.05 0.00 -0.13 0.00 0.00 55.73 56.03 3hfa s ARG 319 Cb 0.00 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3hfa s ARG 319 CO 0.00 0.52 -0.14 -1.54 -0.81 0.00 0.00 175.30 173.33 3hfa s SER 320 N -1.70 1.62 0.09 -2.12 1.04 -0.78 -4.66 113.70 107.18 3hfa s SER 320 Ca 0.36 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.49 3hfa s SER 320 Cb -0.15 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3hfa s SER 320 CO 0.19 0.09 -0.19 0.42 0.98 0.00 0.00 173.24 174.72 3hfa s THR 321 N -0.63 1.56 -0.45 2.02 -4.23 -1.26 -0.04 115.64 112.61 3hfa s THR 321 Ca 0.03 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3hfa s THR 321 Cb -0.07 -1.42 0.12 0.00 1.34 0.00 0.00 72.50 72.47 3hfa s THR 321 CO 0.01 -0.06 0.19 -1.58 -0.54 0.00 0.00 174.62 172.64 3hfa s GLN 322 N -1.75 1.84 7.99 3.99 0.74 0.29 -4.83 119.66 127.94 3hfa s GLN 322 Ca 0.05 -2.23 0.00 0.00 0.05 0.00 0.00 55.36 53.22 3hfa s GLN 322 Cb -0.10 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3hfa s GLN 322 CO 0.03 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 3hfa n GLY 323 N 3.76 3.60 0.12 2.59 0.00 -1.26 -2.11 105.19 111.90 3hfa n GLY 323 Ca 0.04 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.46 1.61 2.35 -2.02 -3.47 115.58 110.59 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 0.10 0.52 -0.04 -1.65 0.00 0.00 177.43 176.35 3hfa s MET 325 N -3.27 4.53 -0.25 0.81 -1.94 -0.90 -4.98 119.30 113.29 3hfa s MET 325 Ca 0.00 1.77 -0.29 0.00 -1.71 0.00 0.00 55.69 55.46 3hfa s MET 325 Cb 0.09 -3.28 -0.00 0.00 2.01 0.00 0.00 34.83 33.64 3hfa s MET 325 CO 0.78 -0.05 1.23 0.42 -0.01 0.00 0.00 175.02 177.40 3hfa s ILE 326 N 0.11 4.29 -0.72 2.53 1.01 -1.26 -0.54 121.20 126.61 3hfa s ILE 326 Ca 0.52 1.50 0.13 0.00 0.00 0.00 0.00 60.65 62.81 3hfa s ILE 326 Cb -0.30 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 37.89 3hfa s ILE 326 CO 0.34 -0.34 0.60 -1.54 0.00 0.00 0.00 174.94 174.01 3hfa n SER 327 N 7.06 0.75 -3.54 3.58 3.41 0.94 -4.91 113.62 120.92 3hfa n SER 327 Ca 0.14 -0.88 -0.17 0.00 -0.26 0.00 0.00 58.87 57.70 3hfa n SER 327 Cb 0.46 0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 65.28 3hfa n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hfa s GLY 328 N -2.20 -0.55 0.00 5.00 0.00 -0.93 -4.90 107.32 103.74 3hfa s GLY 328 Ca 0.06 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.25 3hfa s GLY 328 CO 0.53 1.09 0.28 0.54 0.00 0.00 0.00 173.10 175.53 3hfa n ARG 329 N 1.18 0.24 -0.63 2.90 1.74 -1.25 -1.86 116.66 118.97 3hfa n ARG 329 Ca -0.18 -0.28 0.02 0.00 -0.77 0.00 0.00 57.85 56.65 3hfa n ARG 329 Cb 0.57 -0.75 0.03 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.53 -4.74 0.55 5.68 -1.01 -4.68 116.55 112.77 3hfa n ASP 330 Ca 0.00 -2.20 -0.42 0.00 -0.50 0.00 0.00 54.79 51.68 3hfa n ASP 330 Cb 0.07 -0.26 -0.02 0.00 -1.14 0.00 0.00 41.12 39.77 3hfa n ASP 330 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hfa s VAL 331 N -0.46 2.37 -0.25 2.12 1.01 -0.52 -4.99 120.40 119.69 3hfa s VAL 331 Ca 0.11 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 3hfa s VAL 331 Cb 0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3hfa s VAL 331 CO -0.03 0.04 0.14 -0.13 0.00 0.00 0.00 175.10 175.12 3hfa s ARG 332 N 0.19 3.94 0.00 2.72 0.52 -1.26 -4.21 118.95 120.84 3hfa s ARG 332 Ca 0.65 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.56 3hfa s ARG 332 Cb -0.45 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.53 3hfa s ARG 332 CO 0.40 -0.03 0.39 1.63 0.02 0.00 0.00 175.30 177.71 3hfa n LYS 333 N 4.53 2.31 -4.00 3.54 5.02 -1.26 -4.95 118.16 123.35 3hfa n LYS 333 Ca -0.15 -0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 55.41 3hfa n LYS 333 Cb 0.52 -0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.70 2.68 -0.06 -0.18 1.01 -1.26 -2.45 120.40 119.43 3hfa s VAL 334 Ca 0.03 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3hfa s VAL 334 Cb 0.02 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3hfa s VAL 334 CO 0.07 0.31 -0.24 -0.31 0.00 0.00 0.00 175.10 174.94 3hfa s TYR 335 N 1.32 2.48 -0.14 5.22 2.02 0.35 -4.96 117.35 123.64 3hfa s TYR 335 Ca 0.02 -0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 3hfa s TYR 335 Cb -0.15 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 3hfa s TYR 335 CO -0.07 -0.21 1.33 0.42 -1.57 0.00 0.00 175.55 175.46 3hfa s ILE 336 N -0.14 4.15 -0.08 2.71 1.01 -1.26 -0.24 121.20 127.35 3hfa s ILE 336 Ca -0.04 1.39 0.17 0.00 0.00 0.00 0.00 60.65 62.16 3hfa s ILE 336 Cb -0.14 -3.90 -0.25 0.00 0.01 0.00 0.00 42.46 38.19 3hfa s ILE 336 CO 0.04 -0.12 0.26 0.35 0.00 0.00 0.00 174.94 175.47 3hfa n THR 337 N 5.36 0.43 -3.23 2.92 -2.24 -0.55 -4.94 114.28 112.03 3hfa n THR 337 Ca 0.14 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3hfa n THR 337 Cb 0.44 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.30 -0.31 0.28 3.42 5.68 -1.17 -4.47 116.55 117.68 3hfa n ASP 338 Ca -0.12 -1.24 0.18 0.00 -0.50 0.00 0.00 54.79 53.10 3hfa n ASP 338 Cb 0.68 0.52 0.96 0.00 -1.14 0.00 0.00 41.12 42.14 3hfa n ASP 338 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hfa h ASP 339 N 0.29 0.00 0.00 -1.12 3.32 -1.95 -3.03 116.42 113.93 3hfa h ASP 339 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 339 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hfa h ASP 339 CO 0.06 0.00 -0.22 -1.22 -1.72 0.00 0.00 179.24 176.14 3hfa n TYR 340 N -3.57 0.00 -3.96 4.55 4.01 -1.26 -0.07 117.16 116.86 3hfa n TYR 340 Ca -0.01 -0.37 -0.09 0.00 -0.16 0.00 0.00 57.90 57.27 3hfa n TYR 340 Cb 0.18 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.01 0.12 0.04 -0.72 -4.23 -1.14 -1.30 115.64 107.40 3hfa s THR 341 Ca 0.10 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3hfa s THR 341 Cb 0.09 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 3hfa s THR 341 CO 0.01 -0.53 -0.08 0.00 -0.54 0.00 0.00 174.62 173.49 3hfa s ALA 342 N -1.78 0.58 -0.07 3.99 0.00 0.42 -1.48 121.76 123.43 3hfa s ALA 342 Ca -0.13 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3hfa s ALA 342 Cb -0.07 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3hfa s ALA 342 CO -0.02 -0.00 -0.18 0.99 0.00 0.00 0.00 175.76 176.56 3hfa s THR 343 N -1.26 1.56 -0.09 0.00 2.01 0.67 -1.29 115.64 117.24 3hfa s THR 343 Ca -0.09 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3hfa s THR 343 Cb -0.09 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3hfa s THR 343 CO 0.00 0.45 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.38 3hfa s GLY 344 N 0.37 1.45 -0.07 4.40 0.00 -0.48 -0.50 107.32 112.49 3hfa s GLY 344 Ca -0.13 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3hfa s GLY 344 CO 0.05 -0.46 -0.12 -0.42 0.00 0.00 0.00 173.10 172.16 3hfa s ILE 345 N -0.03 1.12 -0.03 0.90 1.01 -1.03 0.35 121.20 123.49 3hfa s ILE 345 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3hfa s ILE 345 Cb -0.14 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3hfa s ILE 345 CO 0.04 0.36 -0.03 0.00 0.00 0.00 0.00 174.94 175.31 3hfa s ALA 346 N 0.75 3.15 0.00 9.38 0.00 -0.71 -4.95 121.76 129.39 3hfa s ALA 346 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3hfa s ALA 346 Cb -0.16 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3hfa s ALA 346 CO 0.03 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3hfa n GLY 347 N 1.76 0.58 3.72 0.00 0.00 -1.26 -0.67 105.19 109.32 3hfa n GLY 347 Ca -0.16 -2.19 -0.60 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 1.53 0.22 -0.03 2.61 -1.04 -0.13 -4.84 114.28 112.60 3hfa n THR 348 Ca 0.00 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 61.89 3hfa n THR 348 Cb 0.00 -1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 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 6.70 -0.01 -0.85 2.41 0.00 -1.97 -0.35 119.26 125.18 3hfa h ALA 349 Ca -0.45 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 349 Cb 1.33 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 3hfa h ALA 349 CO 0.97 -0.58 0.51 0.00 0.00 0.00 0.00 179.25 180.15 3hfa h ALA 350 N 0.97 1.19 -0.27 0.00 0.00 -2.01 -1.74 119.26 117.40 3hfa h ALA 350 Ca 0.12 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 350 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 350 CO -0.29 0.21 -0.53 0.28 0.00 0.00 0.00 179.25 178.92 3hfa h VAL 351 N 0.90 1.29 -0.10 0.00 2.07 -1.75 -2.78 116.25 115.87 3hfa h VAL 351 Ca 0.39 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3hfa h VAL 351 Cb 0.25 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3hfa h VAL 351 CO -0.20 0.56 0.06 0.00 0.02 0.00 0.00 177.57 178.00 3hfa h ALA 352 N 0.78 0.12 -0.45 1.67 0.00 -0.42 -0.73 119.26 120.23 3hfa h ALA 352 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 352 Cb 1.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hfa h ALA 352 CO 0.11 -0.36 0.18 0.28 0.00 0.00 0.00 179.25 179.46 3hfa h VAL 353 N 0.09 1.20 -0.19 0.00 2.07 -1.39 -2.13 116.25 115.91 3hfa h VAL 353 Ca 0.03 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.98 3hfa h VAL 353 Cb 0.03 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3hfa h VAL 353 CO -0.01 0.23 -0.21 -0.33 0.02 0.00 0.00 177.57 177.27 3hfa h GLU 354 N 0.58 -0.23 -0.03 1.57 5.08 -1.32 -1.24 114.58 118.99 3hfa h GLU 354 Ca 0.15 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3hfa h GLU 354 Cb 0.19 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3hfa h GLU 354 CO -0.01 -0.16 -0.44 0.74 -1.00 0.00 0.00 179.01 178.14 3hfa h PHE 355 N -0.24 -1.26 -0.57 4.33 0.04 -0.83 0.13 116.94 118.53 3hfa h PHE 355 Ca 0.12 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3hfa h PHE 355 Cb 0.42 0.56 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 3hfa h PHE 355 CO -0.35 -0.51 0.35 0.00 -0.60 0.00 0.00 178.31 177.21 3hfa h ALA 356 N -0.06 0.73 0.09 2.45 0.00 -1.20 0.16 119.26 121.44 3hfa h ALA 356 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 356 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hfa h ALA 356 CO -0.35 0.20 -0.05 -0.09 0.00 0.00 0.00 179.25 178.97 3hfa h ARG 357 N 0.77 -0.12 -0.53 0.00 2.43 -0.97 -2.27 114.38 113.68 3hfa h ARG 357 Ca 0.21 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3hfa h ARG 357 Cb -0.03 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3hfa h ARG 357 CO -0.04 0.28 -0.03 1.25 -1.51 0.00 0.00 179.97 179.92 3hfa h LEU 358 N -0.55 0.91 -0.38 3.80 5.85 -0.61 -2.17 115.31 122.16 3hfa h LEU 358 Ca -0.01 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3hfa h LEU 358 Cb 0.45 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hfa h LEU 358 CO 0.02 0.98 0.16 0.22 -0.34 0.00 0.00 178.44 179.49 3hfa h TYR 359 N 0.85 0.57 -0.85 1.25 3.20 -0.69 0.60 116.97 121.90 3hfa h TYR 359 Ca 0.15 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3hfa h TYR 359 Cb 0.54 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3hfa h TYR 359 CO 0.03 0.50 0.44 0.00 -1.64 0.00 0.00 178.16 177.49 3hfa h ALA 360 N 1.01 1.09 -0.34 1.82 0.00 -1.27 -1.22 119.26 120.35 3hfa h ALA 360 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hfa h ALA 360 Cb 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hfa h ALA 360 CO -0.01 0.63 0.18 0.28 0.00 0.00 0.00 179.25 180.33 3hfa h VAL 361 N 1.20 1.14 -0.83 0.00 2.07 -1.07 -2.59 116.25 116.17 3hfa h VAL 361 Ca 0.30 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3hfa h VAL 361 Cb 0.07 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3hfa h VAL 361 CO -0.04 0.15 0.41 -0.08 0.02 0.00 0.00 177.57 178.02 3hfa h GLU 362 N 0.43 1.18 -0.14 1.57 4.81 -0.47 0.10 114.58 122.06 3hfa h GLU 362 Ca 0.12 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hfa h GLU 362 Cb 0.07 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3hfa h GLU 362 CO -0.02 0.90 0.06 -0.07 -0.73 0.00 0.00 179.01 179.16 3hfa h LEU 363 N 1.17 0.19 -0.64 1.64 4.07 -1.10 -2.09 115.31 118.56 3hfa h LEU 363 Ca 0.29 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.96 3hfa h LEU 363 Cb 0.10 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3hfa h LEU 363 CO -0.04 0.27 -0.66 -0.08 -1.08 0.00 0.00 178.44 176.85 3hfa h GLU 364 N 0.09 0.08 -0.30 1.13 4.81 -1.29 -2.48 114.58 116.62 3hfa h GLU 364 Ca 0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hfa h GLU 364 Cb 0.14 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3hfa h GLU 364 CO -0.01 0.71 0.14 1.25 -0.73 0.00 0.00 179.01 180.38 3hfa h HIS 365 N 0.06 0.26 -0.27 0.92 2.76 -0.66 -0.05 115.15 118.17 3hfa h HIS 365 Ca -0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hfa h HIS 365 Cb 1.18 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3hfa h HIS 365 CO 0.01 0.14 0.14 -0.92 -1.30 0.00 0.00 177.93 176.00 3hfa h TYR 366 N 0.30 0.38 -0.66 5.26 3.20 -1.21 -1.35 116.97 122.90 3hfa h TYR 366 Ca 0.13 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hfa h TYR 366 Cb 0.05 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 3hfa h TYR 366 CO -0.10 0.35 0.38 1.49 -1.64 0.00 0.00 178.16 178.63 3hfa h GLU 367 N 0.31 0.69 -0.33 1.82 4.81 -1.11 0.56 114.58 121.33 3hfa h GLU 367 Ca 0.09 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 3hfa h GLU 367 Cb 0.10 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3hfa h GLU 367 CO -0.01 0.45 -0.35 0.87 -0.73 0.00 0.00 179.01 179.24 3hfa h LYS 368 N 0.71 0.75 -0.26 1.92 1.57 -0.82 0.17 116.57 120.61 3hfa h LYS 368 Ca 0.29 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3hfa h LYS 368 Cb 0.15 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hfa h LYS 368 CO -0.17 0.99 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.19 3hfa h LEU 369 N 0.63 0.84 -0.57 2.94 3.38 -0.75 -3.34 115.31 118.43 3hfa h LEU 369 Ca 0.06 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hfa h LEU 369 Cb 0.89 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hfa h LEU 369 CO 0.08 1.20 -0.49 -0.62 0.09 0.00 0.00 178.44 178.70 3hfa n GLU 370 N -4.14 1.69 -0.09 1.13 -0.58 0.15 -4.97 120.64 113.82 3hfa n GLU 370 Ca -0.05 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 3hfa n GLU 370 Cb 0.56 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 3hfa n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfa n GLY 371 N 1.25 2.47 3.02 0.62 0.00 0.58 -4.98 105.19 108.15 3hfa n GLY 371 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3hfa n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfa s VAL 372 N -2.98 0.28 0.63 1.61 0.11 -1.20 -4.97 120.40 113.88 3hfa s VAL 372 Ca 0.00 -1.10 -0.15 0.00 -2.93 0.00 0.00 61.98 57.81 3hfa s VAL 372 Cb 0.00 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3hfa s VAL 372 CO 0.00 -0.53 1.07 -2.84 -3.33 0.00 0.00 175.10 169.47 3hfa s PRO 373 N -1.84 3.10 0.53 1.54 0.02 -1.26 -3.96 135.00 133.13 3hfa s PRO 373 Ca -0.11 1.22 -0.21 0.00 0.02 0.00 0.00 61.00 61.92 3hfa s PRO 373 Cb -0.08 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 3hfa s PRO 373 CO -0.02 -0.99 1.09 1.28 -0.33 0.00 0.00 177.00 178.04 3hfa n LEU 374 N -2.32 3.88 -4.69 -5.54 4.32 -1.26 -5.00 117.00 106.39 3hfa n LEU 374 Ca 0.09 0.93 -0.30 0.00 -0.02 0.00 0.00 56.01 56.70 3hfa n LEU 374 Cb 0.53 -1.43 0.15 0.00 -1.62 0.00 0.00 43.42 41.04 3hfa n LEU 374 CO 0.49 -1.37 0.66 0.42 -1.22 0.00 0.00 177.39 176.36 3hfa s THR 375 N -1.38 2.56 0.21 -5.08 -4.23 -1.26 -4.78 115.64 101.69 3hfa s THR 375 Ca 0.70 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 3hfa s THR 375 Cb -0.46 -2.47 0.17 0.00 1.34 0.00 0.00 72.50 71.08 3hfa s THR 375 CO 0.51 -0.24 1.89 0.15 -0.54 0.00 0.00 174.62 176.39 3hfa h PHE 376 N -1.69 0.99 -0.68 3.99 3.57 -1.98 -0.86 116.94 120.27 3hfa h PHE 376 Ca -0.48 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.15 3hfa h PHE 376 Cb 1.27 -0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 3hfa h PHE 376 CO 0.46 0.63 0.29 0.00 -2.23 0.00 0.00 178.31 177.46 3hfa h ALA 377 N 1.29 0.93 -0.77 2.41 0.00 -2.00 -0.72 119.26 120.40 3hfa h ALA 377 Ca 0.29 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 377 Cb -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hfa h ALA 377 CO -0.06 -0.16 0.44 0.78 0.00 0.00 0.00 179.25 180.25 3hfa h GLY 378 N 0.47 1.13 1.01 0.00 0.00 -1.57 -1.13 103.07 102.99 3hfa h GLY 378 Ca 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hfa h GLY 378 CO -0.33 0.48 0.51 0.50 0.00 0.00 0.00 176.54 177.70 3hfa h LYS 379 N 1.06 1.06 -0.19 4.80 1.57 -0.29 -1.51 116.57 123.08 3hfa h LYS 379 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hfa h LYS 379 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3hfa h LYS 379 CO -0.05 0.72 0.12 0.82 -0.57 0.00 0.00 179.45 180.49 3hfa h ILE 380 N 1.08 1.05 -0.45 1.86 2.04 -0.83 -2.48 117.51 119.78 3hfa h ILE 380 Ca 0.29 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 3hfa h ILE 380 Cb -0.10 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3hfa h ILE 380 CO -0.06 0.05 0.27 -1.13 0.00 0.00 0.00 178.15 177.28 3hfa h ASN 381 N 0.25 0.53 -0.61 1.72 -1.24 -0.77 -0.76 115.58 114.70 3hfa h ASN 381 Ca 0.07 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3hfa h ASN 381 Cb -0.03 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 3hfa h ASN 381 CO -0.02 0.43 0.34 0.03 -1.29 0.00 0.00 177.43 176.92 3hfa h ARG 382 N 0.59 0.85 -0.56 6.67 2.47 -1.23 0.53 114.38 123.70 3hfa h ARG 382 Ca 0.16 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3hfa h ARG 382 Cb -0.01 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 3hfa h ARG 382 CO -0.03 0.65 0.33 1.25 0.56 0.00 0.00 179.97 182.73 3hfa h LEU 383 N 0.83 0.68 -0.51 3.04 5.85 -1.14 -1.26 115.31 122.81 3hfa h LEU 383 Ca 0.22 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 383 Cb 0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3hfa h LEU 383 CO -0.04 0.55 0.26 0.00 -0.34 0.00 0.00 178.44 178.87 3hfa h ALA 384 N 1.16 0.65 -0.76 1.25 0.00 -0.59 -0.64 119.26 120.33 3hfa h ALA 384 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 384 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hfa h ALA 384 CO -0.04 0.19 0.32 0.82 0.00 0.00 0.00 179.25 180.54 3hfa h ILE 385 N 0.67 1.25 -0.53 0.00 2.04 -0.76 -0.32 117.51 119.86 3hfa h ILE 385 Ca 0.18 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3hfa h ILE 385 Cb 0.09 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3hfa h ILE 385 CO -0.02 0.32 0.27 -0.03 0.00 0.00 0.00 178.15 178.69 3hfa h MET 386 N 1.09 0.76 -0.51 2.37 4.05 -0.73 -1.10 114.93 120.85 3hfa h MET 386 Ca 0.25 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3hfa h MET 386 Cb 0.19 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3hfa h MET 386 CO -0.02 0.61 0.28 0.28 0.23 0.00 0.00 176.91 178.28 3hfa h VAL 387 N 0.71 1.18 -0.72 -5.77 2.07 -0.73 -2.52 116.25 110.46 3hfa h VAL 387 Ca 0.19 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hfa h VAL 387 Cb 0.08 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3hfa h VAL 387 CO -0.03 0.19 0.47 -0.09 0.02 0.00 0.00 177.57 178.13 3hfa h ARG 388 N 0.68 0.96 -0.13 1.57 2.43 -0.79 -1.16 114.38 117.95 3hfa h ARG 388 Ca 0.18 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3hfa h ARG 388 Cb 0.06 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3hfa h ARG 388 CO -0.03 0.64 0.17 0.78 -1.51 0.00 0.00 179.97 180.02 3hfa h GLY 389 N 0.99 0.00 -1.33 2.80 0.00 -0.75 -1.00 103.07 103.78 3hfa h GLY 389 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hfa h GLY 389 CO -0.06 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.47 3hfa n ASN 390 N -3.65 2.34 -0.12 0.19 5.15 -0.44 -4.54 115.26 114.18 3hfa n ASN 390 Ca 0.00 -1.79 -0.05 0.00 -0.60 0.00 0.00 54.58 52.14 3hfa n ASN 390 Cb 0.27 -0.10 0.03 0.00 -0.53 0.00 0.00 39.78 39.45 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 3.28 -0.06 -0.04 1.20 5.85 -1.17 0.26 115.31 124.63 3hfa h LEU 391 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3hfa h LEU 391 Cb 0.71 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3hfa h LEU 391 CO 0.00 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 177.94 3hfa h ALA 392 N 1.32 -0.16 -0.86 1.25 0.00 -1.81 0.43 119.26 119.43 3hfa h ALA 392 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hfa h ALA 392 Cb 0.25 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hfa h ALA 392 CO -0.28 -0.64 0.55 0.00 0.00 0.00 0.00 179.25 178.88 3hfa h ALA 393 N 0.72 1.36 -0.63 0.00 0.00 -1.75 -2.44 119.26 116.53 3hfa h ALA 393 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 393 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 393 CO -0.18 0.58 0.23 0.00 0.00 0.00 0.00 179.25 179.88 3hfa h ALA 394 N 1.44 1.23 0.00 0.00 0.00 0.55 -0.35 119.26 122.14 3hfa h ALA 394 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 394 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3hfa h ALA 394 CO -0.07 0.56 0.00 0.52 0.00 0.00 0.00 179.25 180.26 3hfa h MET 395 N 0.91 0.00 -0.27 0.00 2.86 -0.47 -0.61 114.93 117.34 3hfa h MET 395 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3hfa h MET 395 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3hfa h MET 395 CO -0.02 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.99 3hfa n GLN 396 N -2.54 2.11 0.00 1.72 1.13 -0.27 -4.93 117.38 114.60 3hfa n GLN 396 Ca 0.01 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.40 3hfa n GLN 396 Cb 0.22 -1.45 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 1.31 0.50 2.62 1.08 0.00 -0.24 -5.00 105.19 105.46 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 7.55 -4.74 0.99 4.77 -0.45 -4.88 117.00 120.25 3hfa n LEU 398 Ca 0.00 -4.86 -0.35 0.00 -0.03 0.00 0.00 56.01 50.76 3hfa n LEU 398 Cb 0.00 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 39.63 3hfa n LEU 398 CO 0.00 1.85 -0.14 -0.22 -1.33 0.00 0.00 177.39 177.55 3hfa s LEU 399 N -1.72 4.23 -0.04 2.23 2.96 -1.26 -3.72 118.68 121.37 3hfa s LEU 399 Ca 0.48 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.66 3hfa s LEU 399 Cb 0.15 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3hfa s LEU 399 CO -0.06 0.18 0.11 0.00 -1.32 0.00 0.00 176.35 175.26 3hfa s ALA 400 N 0.27 -0.27 -0.12 5.97 0.00 -1.26 -0.96 121.76 125.40 3hfa s ALA 400 Ca 0.10 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3hfa s ALA 400 Cb -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3hfa s ALA 400 CO -0.00 -0.06 -0.15 -0.51 0.00 0.00 0.00 175.76 175.04 3hfa s LEU 401 N 0.10 1.74 0.37 0.00 1.43 0.15 -4.94 118.68 117.54 3hfa s LEU 401 Ca -0.00 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 3hfa s LEU 401 Cb -0.01 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.02 3hfa s LEU 401 CO -0.00 0.01 0.72 -2.16 0.23 0.00 0.00 176.35 175.15 3hfa s PRO 402 N 1.04 3.77 -0.09 1.29 0.05 -1.26 -1.73 135.00 138.06 3hfa s PRO 402 Ca -0.05 0.39 0.04 0.00 0.05 0.00 0.00 61.00 61.43 3hfa s PRO 402 Cb -0.15 -2.45 -0.00 0.00 0.05 0.00 0.00 34.50 31.95 3hfa s PRO 402 CO -0.03 0.03 -0.23 -1.17 0.05 0.00 0.00 177.00 175.65 3hfa s LEU 403 N -3.70 2.06 -0.15 -3.56 2.96 0.15 -3.66 118.68 112.78 3hfa s LEU 403 Ca 0.50 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3hfa s LEU 403 Cb -0.10 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3hfa s LEU 403 CO 0.30 0.16 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.19 3hfa s LEU 404 N 0.30 2.98 -0.02 -0.68 2.96 0.42 -1.39 118.68 123.25 3hfa s LEU 404 Ca -0.17 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3hfa s LEU 404 Cb -0.17 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hfa s LEU 404 CO 0.08 0.14 -0.24 0.00 -1.32 0.00 0.00 176.35 175.01 3hfa s ALA 405 N 0.50 1.99 0.26 5.97 0.00 -0.41 0.04 121.76 130.11 3hfa s ALA 405 Ca -0.06 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.71 3hfa s ALA 405 Cb -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3hfa s ALA 405 CO 0.03 0.48 0.59 0.20 0.00 0.00 0.00 175.76 177.07 3hfa s GLY 406 N -0.53 0.24 -0.18 0.00 0.00 0.12 -0.44 107.32 106.54 3hfa s GLY 406 Ca 0.08 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.20 3hfa s GLY 406 CO -0.01 -0.37 -0.12 -0.47 0.00 0.00 0.00 173.10 172.13 3hfa s TYR 407 N -3.97 2.34 -0.57 1.90 5.04 -0.42 0.28 117.35 121.95 3hfa s TYR 407 Ca 0.17 -1.45 -0.25 0.00 -2.44 0.00 0.00 57.07 53.10 3hfa s TYR 407 Cb -0.03 -1.63 0.04 0.00 0.35 0.00 0.00 41.96 40.69 3hfa s TYR 407 CO 0.08 -0.72 0.99 0.34 -1.34 0.00 0.00 175.55 174.90 3hfa s ASP 408 N 1.43 6.33 0.59 4.32 2.15 0.41 -4.88 116.67 127.01 3hfa s ASP 408 Ca 0.01 -0.36 0.37 0.00 0.43 0.00 0.00 52.55 53.00 3hfa s ASP 408 Cb -0.15 -2.45 1.78 0.00 -0.30 0.00 0.00 42.92 41.79 3hfa s ASP 408 CO -0.09 -1.30 2.14 0.16 -0.17 0.00 0.00 175.17 175.91 3hfa h ILE 409 N 6.03 0.07 -0.02 4.11 3.07 -1.97 -2.03 117.51 126.78 3hfa h ILE 409 Ca -0.26 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.81 3hfa h ILE 409 Cb 1.07 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3hfa h ILE 409 CO 1.12 0.02 -0.03 1.41 -1.05 0.00 0.00 178.15 179.61 3hfa n HIS 410 N -3.15 0.00 -2.19 0.16 8.25 -1.26 -4.94 115.22 112.08 3hfa n HIS 410 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 3hfa n HIS 410 Cb 0.21 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.06 2.72 0.03 -1.41 0.00 -0.76 -4.96 121.76 115.31 3hfa s ALA 411 Ca 0.36 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 3hfa s ALA 411 Cb 0.21 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.77 3hfa s ALA 411 CO 0.35 -0.85 1.36 0.77 0.00 0.00 0.00 175.76 177.40 3hfa h SER 412 N 1.30 -0.41 -3.33 0.00 0.02 -1.92 -3.41 113.55 105.80 3hfa h SER 412 Ca -0.50 -0.11 -0.73 0.00 -0.84 0.00 0.00 61.79 59.61 3hfa h SER 412 Cb 1.27 0.11 -0.25 0.00 0.14 0.00 0.00 62.40 63.66 3hfa h SER 412 CO 0.57 -0.11 -0.37 -0.62 -1.14 0.00 0.00 176.83 175.16 3hfa s ASP 413 N -4.93 5.92 0.61 3.07 2.15 -1.26 -4.95 116.67 117.27 3hfa s ASP 413 Ca -0.15 -1.51 0.31 0.00 0.43 0.00 0.00 52.55 51.63 3hfa s ASP 413 Cb 0.03 -2.10 1.80 0.00 -0.30 0.00 0.00 42.92 42.35 3hfa s ASP 413 CO 0.57 -0.64 2.16 -0.65 -0.17 0.00 0.00 175.17 176.43 3hfa h PRO 414 N 8.61 0.00 -0.36 4.34 0.11 -1.95 -1.30 132.00 141.46 3hfa h PRO 414 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 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 0.85 0.00 -0.02 1.96 -0.21 0.00 0.00 178.00 180.58 3hfa h GLN 415 N 0.00 0.57 -0.08 1.05 1.08 -1.92 -3.16 115.11 112.65 3hfa h GLN 415 Ca 0.05 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 3hfa h GLN 415 Cb 0.34 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3hfa h GLN 415 CO -0.00 0.61 -0.34 -1.13 -0.95 0.00 0.00 178.83 177.01 3hfa n SER 416 N -4.25 1.99 -0.02 1.46 3.41 -0.52 -0.57 113.62 115.11 3hfa n SER 416 Ca 0.02 -3.77 0.15 0.00 -0.26 0.00 0.00 58.87 55.00 3hfa n SER 416 Cb 0.27 -0.54 0.76 0.00 -0.26 0.00 0.00 64.21 64.44 3hfa n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfa n ALA 417 N -1.14 2.56 -1.76 7.33 0.00 -1.00 -4.82 120.51 121.66 3hfa n ALA 417 Ca 0.22 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 3hfa n ALA 417 Cb 0.76 -1.47 0.01 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 -2.48 2.88 -0.01 0.00 0.00 -1.26 -0.45 107.32 106.00 3hfa s GLY 418 Ca 0.31 1.21 0.01 0.00 0.00 0.00 0.00 44.72 46.25 3hfa s GLY 418 CO 0.45 1.75 -0.04 0.50 0.00 0.00 0.00 173.10 175.76 3hfa s ARG 419 N -2.55 0.39 -0.08 2.90 1.81 0.14 -4.89 118.95 116.68 3hfa s ARG 419 Ca 0.63 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 54.55 3hfa s ARG 419 Cb -0.37 -0.42 0.01 0.00 -0.45 0.00 0.00 34.95 33.73 3hfa s ARG 419 CO 0.46 0.04 -0.12 0.42 -0.68 0.00 0.00 175.30 175.41 3hfa s ILE 420 N 0.20 1.16 -0.05 1.52 1.01 -1.26 -0.70 121.20 123.08 3hfa s ILE 420 Ca -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3hfa s ILE 420 Cb -0.05 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.36 3hfa s ILE 420 CO -0.00 0.37 -0.08 -0.69 0.00 0.00 0.00 174.94 174.53 3hfa s VAL 421 N 0.81 0.80 0.25 2.92 1.01 0.11 -0.53 120.40 125.77 3hfa s VAL 421 Ca -0.12 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3hfa s VAL 421 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3hfa s VAL 421 CO 0.02 0.28 0.18 -0.94 0.00 0.00 0.00 175.10 174.64 3hfa s SER 422 N 0.76 5.44 0.01 3.32 1.04 -0.62 -0.44 113.70 123.21 3hfa s SER 422 Ca -0.13 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.03 3hfa s SER 422 Cb -0.15 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 3hfa s SER 422 CO 0.02 -0.03 -0.03 -0.36 0.98 0.00 0.00 173.24 173.82 3hfa s PHE 423 N -2.14 0.26 0.47 5.02 0.08 -1.24 -1.13 117.98 119.30 3hfa s PHE 423 Ca 0.33 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.26 3hfa s PHE 423 Cb -0.08 -0.17 0.02 0.00 -0.57 0.00 0.00 43.02 42.22 3hfa s PHE 423 CO 0.24 -0.05 0.53 0.16 -0.10 0.00 0.00 175.22 176.00 3hfa s ASP 424 N -0.54 5.17 0.53 1.36 1.47 0.06 -4.70 116.67 120.02 3hfa s ASP 424 Ca -0.04 -0.75 0.35 0.00 1.18 0.00 0.00 52.55 53.29 3hfa s ASP 424 Cb -0.04 -0.26 1.69 0.00 -0.34 0.00 0.00 42.92 43.96 3hfa s ASP 424 CO -0.00 -0.90 2.06 0.00 0.68 0.00 0.00 175.17 177.00 3hfa h ALA 425 N 0.69 1.00 -0.32 2.11 0.00 -1.92 -1.91 119.26 118.92 3hfa h ALA 425 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hfa h ALA 425 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hfa h ALA 425 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3hfa n ALA 426 N -2.01 2.46 -0.24 0.00 0.00 -1.26 -4.42 120.51 115.03 3hfa n ALA 426 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3hfa n ALA 426 Cb 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.36 0.71 3.77 0.00 0.00 -0.72 -4.54 105.19 105.77 3hfa n GLY 427 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hfa n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfa s GLY 428 N -1.51 2.93 0.08 -0.02 0.00 -1.25 -4.74 107.32 102.81 3hfa s GLY 428 Ca 0.00 1.31 0.04 0.00 0.00 0.00 0.00 44.72 46.07 3hfa s GLY 428 CO 0.00 1.92 -0.10 0.66 0.00 0.00 0.00 173.10 175.57 3hfa s TRP 429 N -1.22 1.02 -0.07 1.90 1.48 -1.26 -0.76 118.94 120.03 3hfa s TRP 429 Ca 0.56 -0.59 -0.03 0.00 -1.06 0.00 0.00 56.10 54.98 3hfa s TRP 429 Cb -0.40 -0.57 0.04 0.00 -1.16 0.00 0.00 33.47 31.38 3hfa s TRP 429 CO 0.52 -0.00 0.15 1.21 -4.06 0.00 0.00 176.95 174.76 3hfa s ASN 430 N -2.17 0.43 -0.34 -2.66 2.47 -0.28 -4.98 114.94 107.41 3hfa s ASN 430 Ca 0.01 0.31 -0.29 0.00 0.42 0.00 0.00 52.86 53.31 3hfa s ASN 430 Cb -0.05 0.22 0.02 0.00 -1.45 0.00 0.00 41.25 39.99 3hfa s ASN 430 CO 0.00 -0.21 1.08 -0.63 -3.72 0.00 0.00 177.10 173.62 3hfa s ILE 431 N 1.86 4.47 0.17 -5.21 1.01 -1.26 -1.59 121.20 120.65 3hfa s ILE 431 Ca -0.02 1.64 -0.31 0.00 0.00 0.00 0.00 60.65 61.97 3hfa s ILE 431 Cb -0.12 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.83 3hfa s ILE 431 CO -0.06 -0.56 1.38 -0.70 0.00 0.00 0.00 174.94 175.00 3hfa s GLU 432 N 3.76 4.33 0.00 2.79 2.56 0.31 -4.93 118.70 127.52 3hfa s GLU 432 Ca 0.45 2.12 0.08 0.00 0.00 0.00 0.00 54.97 57.62 3hfa s GLU 432 Cb -0.11 -3.20 0.03 0.00 2.00 0.00 0.00 34.13 32.84 3hfa s GLU 432 CO 0.18 -0.37 0.63 0.39 -0.56 0.00 0.00 175.26 175.53 3hfa n GLU 433 N 3.16 1.33 -0.13 4.30 1.02 -1.26 -4.62 120.64 124.44 3hfa n GLU 433 Ca 0.09 -0.72 0.12 0.00 -0.02 0.00 0.00 57.16 56.63 3hfa n GLU 433 Cb 0.42 -1.07 0.17 0.00 -0.02 0.00 0.00 31.44 30.95 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 0.02 2.40 0.00 3.49 1.02 -1.26 -4.98 120.64 121.33 3hfa n GLU 434 Ca 0.04 -2.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3hfa n GLU 434 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.42 3.29 3.55 0.62 0.00 -1.26 -5.03 105.19 107.78 3hfa n GLY 435 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3hfa n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hfa s TYR 436 N -2.85 -0.08 0.20 1.61 -0.85 -1.26 -0.51 117.35 113.61 3hfa s TYR 436 Ca 0.00 -0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 56.05 3hfa s TYR 436 Cb 0.00 0.40 0.05 0.00 0.38 0.00 0.00 41.96 42.79 3hfa s TYR 436 CO 0.00 -0.95 0.70 -1.14 -1.52 0.00 0.00 175.55 172.64 3hfa s GLN 437 N -3.89 1.45 0.00 -3.49 2.00 -0.24 -4.96 119.66 110.54 3hfa s GLN 437 Ca 0.10 -0.69 -0.22 0.00 -2.00 0.00 0.00 55.36 52.56 3hfa s GLN 437 Cb -0.01 0.57 0.04 0.00 0.80 0.00 0.00 33.01 34.41 3hfa s GLN 437 CO -0.01 -0.65 0.48 0.00 -0.50 0.00 0.00 175.29 174.60 3hfa s ALA 438 N -3.74 -1.22 0.06 1.58 0.00 -1.26 -1.51 121.76 115.67 3hfa s ALA 438 Ca 0.06 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3hfa s ALA 438 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3hfa s ALA 438 CO -0.03 -0.39 -0.07 0.54 0.00 0.00 0.00 175.76 175.81 3hfa s VAL 439 N -1.81 0.56 0.00 0.00 0.11 -0.17 -4.87 120.40 114.22 3hfa s VAL 439 Ca -0.09 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 3hfa s VAL 439 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3hfa s VAL 439 CO 0.03 -0.58 0.00 0.61 -3.33 0.00 0.00 175.10 171.82 3hfa n GLY 440 N 0.89 1.12 0.32 6.54 0.00 -1.26 -1.07 105.19 111.72 3hfa n GLY 440 Ca -0.19 -2.19 0.20 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.19 1.61 4.64 -1.23 -1.50 113.55 116.88 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 3.43 0.23 -0.77 0.00 -1.14 -4.74 105.19 101.05 3hfa n GLY 442 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 1.18 0.00 -0.44 1.61 4.64 -1.50 -2.21 113.55 116.83 3hfa h SER 443 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3hfa h SER 443 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3hfa h SER 443 CO 0.05 0.21 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.86 3hfa h LEU 444 N 0.00 1.02 -0.41 5.97 3.38 -1.85 -2.13 115.31 121.29 3hfa h LEU 444 Ca -0.00 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 3hfa h LEU 444 Cb 0.41 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hfa h LEU 444 CO 0.03 1.23 -0.55 -0.26 0.09 0.00 0.00 178.44 178.97 3hfa h PHE 445 N 0.81 0.88 -0.47 1.13 0.04 -1.82 -1.91 116.94 115.61 3hfa h PHE 445 Ca 0.09 -0.32 -0.12 0.00 2.80 0.00 0.00 57.97 60.42 3hfa h PHE 445 Cb 0.88 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 3hfa h PHE 445 CO 0.06 1.10 -0.19 0.00 -0.60 0.00 0.00 178.31 178.67 3hfa h ALA 446 N 0.84 0.76 0.00 2.45 0.00 -1.42 -1.81 119.26 120.07 3hfa h ALA 446 Ca 0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3hfa h ALA 446 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hfa h ALA 446 CO 0.11 0.66 -0.68 0.87 0.00 0.00 0.00 179.25 180.21 3hfa h LYS 447 N 0.82 0.00 -0.02 0.00 1.57 -1.34 0.33 116.57 117.94 3hfa h LYS 447 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3hfa h LYS 447 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3hfa h LYS 447 CO 0.06 0.68 -0.68 0.77 -0.57 0.00 0.00 179.45 179.71 3hfa h SER 448 N 0.00 0.10 -0.03 0.86 0.02 -1.26 -0.91 113.55 112.32 3hfa h SER 448 Ca -0.01 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3hfa h SER 448 Cb 1.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3hfa h SER 448 CO 0.09 0.75 -0.11 -1.28 -1.14 0.00 0.00 176.83 175.14 3hfa h SER 449 N 0.06 0.15 -0.35 3.07 0.87 -1.12 -3.26 113.55 112.96 3hfa h SER 449 Ca -0.01 -0.63 -0.03 0.00 -1.23 0.00 0.00 61.79 59.90 3hfa h SER 449 Cb 1.21 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 3hfa h SER 449 CO 0.09 0.75 0.14 0.24 -0.53 0.00 0.00 176.83 177.53 3hfa h MET 450 N -0.44 0.59 -0.90 2.24 2.07 -0.90 -1.18 114.93 116.41 3hfa h MET 450 Ca -0.00 -0.09 0.19 0.00 -2.07 0.00 0.00 59.70 57.73 3hfa h MET 450 Cb 0.74 -0.11 -0.07 0.00 -1.87 0.00 0.00 31.60 30.29 3hfa h MET 450 CO 0.02 0.51 0.59 -0.22 1.07 0.00 0.00 176.91 178.89 3hfa h LYS 451 N 0.59 0.48 0.00 1.72 3.64 -1.20 0.18 116.57 121.97 3hfa h LYS 451 Ca 0.14 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.26 3hfa h LYS 451 Cb 0.16 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3hfa h LYS 451 CO -0.01 0.32 -1.53 0.87 -2.27 0.00 0.00 179.45 176.82 3hfa h LYS 452 N 0.49 0.00 0.00 1.90 1.79 -1.30 -3.39 116.57 116.06 3hfa h LYS 452 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 3hfa h LYS 452 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3hfa h LYS 452 CO -0.20 0.41 -1.43 1.28 -1.08 0.00 0.00 179.45 178.42 3hfa n LEU 453 N -2.98 0.44 0.26 2.94 4.77 -0.66 -4.52 117.00 117.25 3hfa n LEU 453 Ca -0.13 -0.05 0.12 0.00 -0.03 0.00 0.00 56.01 55.92 3hfa n LEU 453 Cb 0.94 -0.04 0.71 0.00 -2.33 0.00 0.00 43.42 42.71 3hfa n LEU 453 CO 0.44 0.03 0.97 0.22 -1.33 0.00 0.00 177.39 177.72 3hfa h TYR 454 N 0.00 0.00 0.00 -1.77 3.20 -0.88 -0.38 116.97 117.14 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 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3hfa h TYR 454 CO 0.00 0.12 0.00 0.66 -1.64 0.00 0.00 178.16 177.30 3hfa h SER 455 N 0.00 0.00 0.42 -2.11 4.64 -1.83 -1.71 113.55 112.95 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hfa h SER 455 CO 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.84 3hfa n GLN 456 N -2.64 0.59 -2.79 4.77 6.02 -0.15 -4.82 117.38 118.36 3hfa n GLN 456 Ca -0.00 -0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.35 3hfa n GLN 456 Cb 0.17 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 3hfa n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hfa s VAL 457 N -2.56 4.66 0.00 5.09 1.01 -0.64 -4.79 120.40 123.16 3hfa s VAL 457 Ca 0.26 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3hfa s VAL 457 Cb 0.20 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3hfa s VAL 457 CO 0.50 -0.36 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3hfa n THR 458 N 5.69 0.00 -3.81 3.92 -2.24 -1.26 -4.87 114.28 111.71 3hfa n THR 458 Ca 0.08 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 3hfa n THR 458 Cb 0.48 0.94 0.02 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.43 -0.01 0.33 3.42 1.47 -1.26 -4.55 116.67 115.64 3hfa s ASP 459 Ca 0.00 -1.08 0.02 0.00 1.18 0.00 0.00 52.55 52.67 3hfa s ASP 459 Cb 0.00 0.82 0.61 0.00 -0.34 0.00 0.00 42.92 44.01 3hfa s ASP 459 CO 0.00 -1.62 1.96 1.23 0.68 0.00 0.00 175.17 177.42 3hfa h GLY 460 N 2.00 1.05 0.71 2.12 0.00 -1.94 0.09 103.07 107.10 3hfa h GLY 460 Ca -0.31 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3hfa h GLY 460 CO 0.39 0.31 -0.01 -1.80 0.00 0.00 0.00 176.54 175.43 3hfa h ASP 461 N 0.91 -0.03 0.16 0.19 1.82 -1.99 -0.24 116.42 117.24 3hfa h ASP 461 Ca 0.31 -0.28 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 3hfa h ASP 461 Cb 0.08 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 3hfa h ASP 461 CO -0.09 0.27 -0.40 0.77 -1.61 0.00 0.00 179.24 178.18 3hfa h SER 462 N -0.33 0.32 -0.41 2.28 4.64 -1.85 -1.75 113.55 116.45 3hfa h SER 462 Ca -0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hfa h SER 462 Cb 0.31 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3hfa h SER 462 CO 0.01 0.69 0.27 1.23 -0.87 0.00 0.00 176.83 178.15 3hfa h GLY 463 N 1.17 0.58 1.02 -0.77 0.00 -0.79 -0.67 103.07 103.63 3hfa h GLY 463 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 463 CO 0.06 0.22 0.33 -2.00 0.00 0.00 0.00 176.54 175.15 3hfa h LEU 464 N 0.55 0.98 -0.59 3.11 5.85 -0.73 -1.16 115.31 123.32 3hfa h LEU 464 Ca 0.15 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3hfa h LEU 464 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3hfa h LEU 464 CO -0.03 0.86 0.13 -0.09 -0.34 0.00 0.00 178.44 178.98 3hfa h ARG 465 N 1.04 0.95 -0.69 1.25 2.43 -0.93 -1.43 114.38 116.99 3hfa h ARG 465 Ca 0.25 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3hfa h ARG 465 Cb 0.16 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3hfa h ARG 465 CO -0.03 0.88 0.16 0.28 -1.51 0.00 0.00 179.97 179.75 3hfa h VAL 466 N 0.86 1.26 -0.32 0.20 2.07 -0.91 -0.67 116.25 118.73 3hfa h VAL 466 Ca 0.18 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3hfa h VAL 466 Cb 0.36 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hfa h VAL 466 CO 0.00 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.08 3hfa h ALA 467 N 1.07 0.42 -0.49 1.67 0.00 -1.00 -0.36 119.26 120.58 3hfa h ALA 467 Ca 0.22 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 467 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hfa h ALA 467 CO 0.00 0.05 -0.07 0.28 0.00 0.00 0.00 179.25 179.51 3hfa h VAL 468 N 0.37 1.26 -0.30 0.00 2.07 -1.15 -1.92 116.25 116.58 3hfa h VAL 468 Ca 0.11 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 3hfa h VAL 468 Cb 0.23 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3hfa h VAL 468 CO -0.00 0.40 -0.23 -0.08 0.02 0.00 0.00 177.57 177.68 3hfa h GLU 469 N 0.78 0.56 -0.58 1.57 4.81 -0.96 -0.27 114.58 120.49 3hfa h GLU 469 Ca 0.14 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3hfa h GLU 469 Cb 0.57 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3hfa h GLU 469 CO 0.03 0.75 0.04 0.00 -0.73 0.00 0.00 179.01 179.11 3hfa h ALA 470 N 1.26 0.78 -0.87 2.92 0.00 -0.75 -0.02 119.26 122.59 3hfa h ALA 470 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hfa h ALA 470 Cb 0.67 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hfa h ALA 470 CO 0.05 0.58 0.55 -0.07 0.00 0.00 0.00 179.25 180.35 3hfa h LEU 471 N 0.90 1.02 -0.44 0.00 4.07 -1.14 -0.06 115.31 119.66 3hfa h LEU 471 Ca 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3hfa h LEU 471 Cb 0.49 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3hfa h LEU 471 CO 0.02 0.77 0.28 0.22 -1.08 0.00 0.00 178.44 178.65 3hfa h TYR 472 N 1.18 0.57 -0.54 1.13 3.20 -0.47 -0.35 116.97 121.69 3hfa h TYR 472 Ca 0.31 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3hfa h TYR 472 Cb -0.09 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3hfa h TYR 472 CO -0.01 0.38 0.01 -0.44 -1.64 0.00 0.00 178.16 176.46 3hfa h ASP 473 N 0.59 0.89 -0.38 -2.11 3.32 -0.67 -0.83 116.42 117.23 3hfa h ASP 473 Ca 0.16 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hfa h ASP 473 Cb -0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3hfa h ASP 473 CO -0.03 0.94 0.24 0.00 -1.72 0.00 0.00 179.24 178.67 3hfa h ALA 474 N 1.15 0.48 -0.18 3.45 0.00 -0.60 -2.45 119.26 121.11 3hfa h ALA 474 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 474 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hfa h ALA 474 CO 0.02 -0.05 -0.20 0.00 0.00 0.00 0.00 179.25 179.03 3hfa h ALA 475 N 1.12 1.33 -0.22 0.00 0.00 -0.79 0.12 119.26 120.82 3hfa h ALA 475 Ca 0.14 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hfa h ALA 475 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hfa h ALA 475 CO -0.03 0.45 -0.15 0.22 0.00 0.00 0.00 179.25 179.74 3hfa h ASP 476 N 0.29 0.36 0.00 0.00 3.58 -0.71 -3.25 116.42 116.69 3hfa h ASP 476 Ca 0.05 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3hfa h ASP 476 Cb 0.52 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3hfa h ASP 476 CO 0.03 0.54 -0.93 0.47 -2.88 0.00 0.00 179.24 176.48 3hfa n ASP 477 N -4.21 1.15 -4.00 2.28 8.00 -0.97 -4.92 116.55 113.88 3hfa n ASP 477 Ca -0.00 -0.50 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 3hfa n ASP 477 Cb 0.32 1.21 -0.16 0.00 -0.02 0.00 0.00 41.12 42.46 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 -2.60 3.43 0.40 -2.24 2.15 0.38 -5.00 116.67 113.19 3hfa s ASP 478 Ca 0.01 -0.90 0.28 0.00 0.43 0.00 0.00 52.55 52.38 3hfa s ASP 478 Cb 0.09 -1.26 1.26 0.00 -0.30 0.00 0.00 42.92 42.71 3hfa s ASP 478 CO 0.50 -0.14 1.85 0.77 -0.17 0.00 0.00 175.17 177.98 3hfa h SER 479 N 7.96 0.00 0.09 -0.34 4.64 -1.86 -1.94 113.55 122.11 3hfa h SER 479 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3hfa h SER 479 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hfa h SER 479 CO 0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.40 3hfa n ALA 480 N -1.90 2.68 -2.77 5.18 0.00 -1.26 -4.77 120.51 117.67 3hfa n ALA 480 Ca 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 3hfa n ALA 480 Cb 0.21 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.14 3.13 -0.06 0.00 2.01 -0.73 -0.52 115.64 117.32 3hfa s THR 481 Ca 0.38 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 3hfa s THR 481 Cb 0.21 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3hfa s THR 481 CO 0.39 0.56 0.43 -0.83 -0.69 0.00 0.00 174.62 174.48 3hfa s GLY 482 N -0.22 2.43 0.79 4.40 0.00 -1.26 -4.51 107.32 108.95 3hfa s GLY 482 Ca 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 3hfa s GLY 482 CO 0.03 0.46 1.10 -0.32 0.00 0.00 0.00 173.10 174.37 3hfa s GLY 483 N -0.19 1.74 0.20 0.20 0.00 -1.26 -4.56 107.32 103.46 3hfa s GLY 483 Ca 0.24 -1.27 -0.33 0.00 0.00 0.00 0.00 44.72 43.37 3hfa s GLY 483 CO 0.11 -0.70 1.55 -1.05 0.00 0.00 0.00 173.10 173.01 3hfa n PRO 484 N -3.15 2.25 -3.44 2.90 -0.02 -1.26 -4.91 135.00 127.37 3hfa n PRO 484 Ca 0.12 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 3hfa n PRO 484 Cb 0.60 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.73 5.96 0.31 2.55 -1.08 -0.09 -4.93 116.67 120.13 3hfa s ASP 485 Ca 0.74 -1.96 0.15 0.00 -0.52 0.00 0.00 52.55 50.96 3hfa s ASP 485 Cb -0.63 -2.10 0.43 0.00 -1.46 0.00 0.00 42.92 39.16 3hfa s ASP 485 CO 0.41 -0.74 1.62 -0.07 0.52 0.00 0.00 175.17 176.91 3hfa h LEU 486 N 8.53 0.00 -0.09 -1.34 4.07 -1.93 0.25 115.31 124.80 3hfa h LEU 486 Ca -0.22 0.00 -0.03 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 42.81 3hfa h LEU 486 CO 0.92 0.52 -0.05 0.58 -1.08 0.00 0.00 178.44 179.33 3hfa h VAL 487 N 0.00 1.33 0.00 1.22 2.07 -1.96 -3.26 116.25 115.64 3hfa h VAL 487 Ca -0.01 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3hfa h VAL 487 Cb 1.10 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3hfa h VAL 487 CO 0.07 0.31 -0.59 0.03 0.02 0.00 0.00 177.57 177.41 3hfa h ARG 488 N -0.17 0.00 -3.32 1.57 3.08 -1.99 -3.48 114.38 110.07 3hfa h ARG 488 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 3hfa h ARG 488 Cb 0.51 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.63 3hfa h ARG 488 CO 0.01 0.00 -0.30 0.41 -1.07 0.00 0.00 179.97 179.02 3hfa n GLY 489 N 1.21 0.20 3.32 0.04 0.00 0.80 -5.05 105.19 105.69 3hfa n GLY 489 Ca 0.02 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.14 2.62 0.24 -0.61 1.01 -0.65 -5.00 121.20 115.65 3hfa s ILE 490 Ca 0.10 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3hfa s ILE 490 Cb -0.04 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3hfa s ILE 490 CO 0.30 0.55 -0.02 -0.36 0.00 0.00 0.00 174.94 175.41 3hfa s PHE 491 N 0.23 1.62 0.77 3.97 0.08 -1.26 -0.91 117.98 122.48 3hfa s PHE 491 Ca -0.12 -0.88 -0.15 0.00 0.12 0.00 0.00 56.93 55.91 3hfa s PHE 491 Cb -0.16 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 3hfa s PHE 491 CO 0.06 0.02 0.95 -2.30 -0.10 0.00 0.00 175.22 173.86 3hfa n PRO 492 N -0.44 0.31 -4.00 0.24 -0.02 -1.26 -4.83 135.00 125.00 3hfa n PRO 492 Ca -0.05 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.35 3hfa n PRO 492 Cb 0.64 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.98 5.03 -0.01 3.45 -4.23 -0.62 -4.93 115.64 112.35 3hfa s THR 493 Ca 0.71 -0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 60.14 3hfa s THR 493 Cb -0.32 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 69.90 3hfa s THR 493 CO 0.53 -0.20 0.28 0.00 -0.54 0.00 0.00 174.62 174.69 3hfa s ALA 494 N -1.87 -0.70 -0.03 3.99 0.00 -1.26 -1.15 121.76 120.74 3hfa s ALA 494 Ca 0.33 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.58 3hfa s ALA 494 Cb -0.10 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 494 CO 0.27 -0.26 -0.20 0.08 0.00 0.00 0.00 175.76 175.65 3hfa s VAL 495 N -1.41 1.59 -0.08 0.00 1.01 0.67 -0.59 120.40 121.60 3hfa s VAL 495 Ca -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3hfa s VAL 495 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3hfa s VAL 495 CO 0.03 0.45 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 3hfa s ILE 496 N -0.27 3.30 -0.11 2.22 1.01 -0.43 -1.06 121.20 125.85 3hfa s ILE 496 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3hfa s ILE 496 Cb -0.10 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3hfa s ILE 496 CO 0.01 0.57 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 3hfa s ILE 497 N -0.42 1.28 0.00 2.92 1.01 -0.30 -0.68 121.20 125.01 3hfa s ILE 497 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3hfa s ILE 497 Cb -0.12 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3hfa s ILE 497 CO 0.02 0.40 0.00 -0.90 0.00 0.00 0.00 174.94 174.46 3hfa n ASP 498 N 4.42 0.52 0.23 3.58 5.68 -1.14 -1.14 116.55 128.70 3hfa n ASP 498 Ca -0.18 -0.11 0.15 0.00 -0.50 0.00 0.00 54.79 54.16 3hfa n ASP 498 Cb 0.51 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.31 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 1.78 -0.07 2.12 0.00 -1.95 0.11 119.26 122.25 3hfa h ALA 499 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 499 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 499 CO 0.00 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3hfa n ASP 500 N -3.95 1.11 0.00 0.00 8.00 -1.26 -5.03 116.55 115.42 3hfa n ASP 500 Ca -0.00 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3hfa n ASP 500 Cb 0.23 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.07 0.58 3.71 0.44 0.00 0.38 -4.99 105.19 106.38 3hfa n GLY 501 Ca 0.18 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.05 3.32 0.02 4.61 0.00 0.90 -2.88 121.76 126.68 3hfa s ALA 502 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3hfa s ALA 502 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 3hfa s ALA 502 CO 0.00 -0.14 -0.08 0.14 0.00 0.00 0.00 175.76 175.68 3hfa s VAL 503 N 0.87 0.61 0.21 0.00 -7.23 0.14 -4.97 120.40 110.04 3hfa s VAL 503 Ca 0.40 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 3hfa s VAL 503 Cb -0.18 -0.59 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 3hfa s VAL 503 CO 0.19 -0.11 1.29 -1.81 -0.31 0.00 0.00 175.10 174.35 3hfa s ASP 504 N -0.93 6.92 0.01 4.85 1.01 -1.26 -1.32 116.67 125.95 3hfa s ASP 504 Ca -0.03 2.40 -0.29 0.00 0.71 0.00 0.00 52.55 55.34 3hfa s ASP 504 Cb -0.07 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3hfa s ASP 504 CO 0.00 -0.50 0.93 -0.69 0.21 0.00 0.00 175.17 175.13 3hfa s VAL 505 N -0.07 4.83 0.32 -1.27 1.01 0.24 -4.90 120.40 120.57 3hfa s VAL 505 Ca 0.55 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 64.20 3hfa s VAL 505 Cb -0.36 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.63 3hfa s VAL 505 CO 0.39 0.20 1.58 -2.84 0.00 0.00 0.00 175.10 174.44 3hfa s PRO 506 N 0.79 4.10 0.30 2.72 0.02 -1.26 -4.62 135.00 137.05 3hfa s PRO 506 Ca 0.49 2.60 0.06 0.00 0.02 0.00 0.00 61.00 64.17 3hfa s PRO 506 Cb -0.21 -3.00 0.78 0.00 0.02 0.00 0.00 34.50 32.09 3hfa s PRO 506 CO 0.27 -0.63 1.73 1.49 -0.33 0.00 0.00 177.00 179.53 3hfa h GLU 507 N 4.37 0.55 -0.81 5.54 4.81 -1.94 -1.64 114.58 125.46 3hfa h GLU 507 Ca -0.48 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 3hfa h GLU 507 Cb 1.23 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3hfa h GLU 507 CO 0.76 0.36 0.53 0.66 -0.73 0.00 0.00 179.01 180.58 3hfa h SER 508 N 0.56 0.75 0.11 1.04 4.64 -1.99 0.11 113.55 118.78 3hfa h SER 508 Ca 0.59 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.71 3hfa h SER 508 Cb 1.06 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3hfa h SER 508 CO -0.46 0.48 -0.79 -0.09 -0.87 0.00 0.00 176.83 175.10 3hfa h ARG 509 N 0.85 0.55 -0.45 4.77 2.43 -1.67 -1.93 114.38 118.93 3hfa h ARG 509 Ca 0.35 -0.47 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 3hfa h ARG 509 Cb 0.27 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hfa h ARG 509 CO -0.13 1.10 -0.27 0.82 -1.51 0.00 0.00 179.97 179.98 3hfa h ILE 510 N 0.37 1.27 -0.67 1.20 2.04 -1.25 -1.99 117.51 118.48 3hfa h ILE 510 Ca -0.05 -1.44 0.03 0.00 1.00 0.00 0.00 64.86 64.40 3hfa h ILE 510 Cb 1.39 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3hfa h ILE 510 CO 0.15 0.49 0.41 0.00 0.00 0.00 0.00 178.15 179.20 3hfa h ALA 511 N 0.84 0.88 -0.16 1.87 0.00 -0.73 0.29 119.26 122.25 3hfa h ALA 511 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 511 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hfa h ALA 511 CO 0.08 0.17 0.09 1.49 0.00 0.00 0.00 179.25 181.08 3hfa h GLU 512 N 0.80 0.21 -0.33 0.00 4.81 -1.20 -0.86 114.58 118.01 3hfa h GLU 512 Ca 0.27 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 3hfa h GLU 512 Cb 0.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3hfa h GLU 512 CO -0.12 0.20 0.09 -0.07 -0.73 0.00 0.00 179.01 178.38 3hfa h LEU 513 N 0.17 0.06 -0.57 1.64 4.07 -1.08 -1.46 115.31 118.13 3hfa h LEU 513 Ca 0.06 0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.11 3hfa h LEU 513 Cb 0.04 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 3hfa h LEU 513 CO -0.01 0.07 0.30 0.00 -1.08 0.00 0.00 178.44 177.72 3hfa h ALA 514 N 1.23 0.75 -0.76 1.53 0.00 -0.65 -0.85 119.26 120.52 3hfa h ALA 514 Ca 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 514 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 514 CO -0.18 -0.03 0.32 0.00 0.00 0.00 0.00 179.25 179.36 3hfa h ARG 515 N 0.58 1.12 -0.34 0.00 3.08 -0.75 -0.64 114.38 117.43 3hfa h ARG 515 Ca 0.26 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hfa h ARG 515 Cb 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hfa h ARG 515 CO -0.17 0.90 0.19 0.00 -1.07 0.00 0.00 179.97 179.82 3hfa h ALA 516 N 1.16 0.43 -0.31 0.04 0.00 -0.71 0.82 119.26 120.69 3hfa h ALA 516 Ca 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 516 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 516 CO -0.02 -0.05 0.19 0.82 0.00 0.00 0.00 179.25 180.18 3hfa h ILE 517 N 0.42 1.05 0.05 0.00 2.04 -0.86 0.69 117.51 120.90 3hfa h ILE 517 Ca 0.12 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3hfa h ILE 517 Cb 0.04 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3hfa h ILE 517 CO -0.02 0.07 -0.02 0.40 0.00 0.00 0.00 178.15 178.57 3hfa h ILE 518 N 0.38 0.97 -0.86 -0.67 2.04 -0.89 -2.06 117.51 116.42 3hfa h ILE 518 Ca 0.12 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3hfa h ILE 518 Cb -0.01 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3hfa h ILE 518 CO -0.05 0.02 0.54 -0.33 0.00 0.00 0.00 178.15 178.33 3hfa h GLU 519 N -0.10 0.98 -0.45 2.37 5.08 -0.66 -1.70 114.58 120.10 3hfa h GLU 519 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hfa h GLU 519 Cb 0.08 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3hfa h GLU 519 CO 0.01 0.65 0.29 1.03 -1.00 0.00 0.00 179.01 179.99 3hfa h SER 520 N 1.01 0.53 0.48 1.42 0.87 -0.49 -2.47 113.55 114.91 3hfa h SER 520 Ca 0.37 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3hfa h SER 520 Cb 0.11 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3hfa h SER 520 CO -0.15 0.39 -0.67 0.54 -0.53 0.00 0.00 176.83 176.41 3hfa n ARG 521 N -4.46 0.09 0.00 2.24 1.74 -0.81 -5.09 116.66 110.38 3hfa n ARG 521 Ca 0.04 0.01 0.15 0.00 -0.77 0.00 0.00 57.85 57.28 3hfa n ARG 521 Cb 0.07 -1.54 0.90 0.00 -1.02 0.00 0.00 32.46 30.86 3hfa n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54