#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcf s HIS 284 N 0.00 3.47 -0.24 1.43 0.09 -1.26 -4.82 115.29 113.95 1hcf s HIS 284 Ca 0.00 0.19 -0.36 0.00 -0.00 0.00 0.00 55.06 54.89 1hcf s HIS 284 Cb 0.00 -1.78 0.15 0.00 -0.00 0.00 0.00 32.58 30.95 1hcf s HIS 284 CO 0.00 0.23 1.30 0.00 -0.00 0.00 0.00 174.74 176.27 1hcf s MET 285 N -4.19 0.17 0.67 1.40 0.23 -0.93 -4.97 119.30 111.68 1hcf s MET 285 Ca 0.38 -0.05 -0.16 0.00 -1.03 0.00 0.00 55.69 54.83 1hcf s MET 285 Cb -0.09 0.08 0.01 0.00 -1.53 0.00 0.00 34.83 33.29 1hcf s MET 285 CO 0.33 -0.07 1.16 0.00 -2.03 0.00 0.00 175.02 174.41 1hcf s ALA 286 N -2.11 2.36 0.47 3.16 0.00 -1.26 -2.64 121.76 121.74 1hcf s ALA 286 Ca 0.10 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1hcf s ALA 286 Cb -0.01 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1hcf s ALA 286 CO -0.04 -1.45 1.15 -1.25 0.00 0.00 0.00 175.76 174.17 1hcf s PRO 287 N -3.89 3.73 -0.04 0.00 0.04 -1.26 -4.61 135.00 128.97 1hcf s PRO 287 Ca 0.71 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1hcf s PRO 287 Cb -0.25 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1hcf s PRO 287 CO 0.41 -0.56 0.02 -0.08 0.04 0.00 0.00 177.00 176.83 1hcf s THR 288 N -1.60 0.09 -0.75 1.26 -1.32 0.32 -4.26 115.64 109.39 1hcf s THR 288 Ca 0.65 0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 61.08 1hcf s THR 288 Cb -0.27 -0.26 0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1hcf s THR 288 CO 0.32 0.17 1.28 -0.63 -2.21 0.00 0.00 174.62 173.56 1hcf s ILE 289 N 1.56 3.74 -2.24 5.08 1.01 -1.26 -0.66 121.20 128.43 1hcf s ILE 289 Ca -0.02 0.33 0.20 0.00 0.00 0.00 0.00 60.65 61.16 1hcf s ILE 289 Cb -0.13 -4.92 0.44 0.00 0.01 0.00 0.00 42.46 37.86 1hcf s ILE 289 CO -0.03 -1.86 1.52 0.35 0.00 0.00 0.00 174.94 174.92 1hcf n THR 290 N 6.40 0.23 -3.48 2.92 -2.24 -0.10 -4.88 114.28 113.13 1hcf n THR 290 Ca 0.05 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1hcf n THR 290 Cb 0.49 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1hcf n THR 290 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1hcf s PHE 291 N -1.77 -0.44 -0.22 4.78 5.36 -1.07 -4.90 117.98 119.72 1hcf s PHE 291 Ca 0.31 0.82 -0.05 0.00 -0.96 0.00 0.00 56.93 57.05 1hcf s PHE 291 Cb 0.17 0.27 0.11 0.00 -0.34 0.00 0.00 43.02 43.23 1hcf s PHE 291 CO 0.25 -0.22 0.42 -1.17 -1.46 0.00 0.00 175.22 173.04 1hcf s LEU 292 N 1.82 -0.70 0.33 6.12 2.96 -1.26 -0.36 118.68 127.59 1hcf s LEU 292 Ca -0.05 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1hcf s LEU 292 Cb -0.04 1.35 -0.07 0.00 0.50 0.00 0.00 46.19 47.94 1hcf s LEU 292 CO -0.15 -0.26 0.05 -1.61 -1.32 0.00 0.00 176.35 173.06 1hcf s GLU 293 N 2.62 1.68 0.63 1.98 0.41 -0.78 -4.94 118.70 120.30 1hcf s GLU 293 Ca 0.05 -1.93 -0.18 0.00 -0.41 0.00 0.00 54.97 52.50 1hcf s GLU 293 Cb -0.13 -0.96 -0.05 0.00 -1.78 0.00 0.00 34.13 31.21 1hcf s GLU 293 CO -0.14 -0.17 0.82 0.43 -0.49 0.00 0.00 175.26 175.71 1hcf n SER 294 N -0.71 0.09 -4.77 -0.19 7.64 -1.26 -4.13 113.62 110.28 1hcf n SER 294 Ca -0.03 0.74 -0.38 0.00 1.01 0.00 0.00 58.87 60.21 1hcf n SER 294 Cb 0.67 -1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1hcf n SER 294 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1hcf s PRO 295 N -2.70 4.37 0.12 1.43 0.04 -1.26 -4.58 135.00 132.41 1hcf s PRO 295 Ca 0.73 1.64 0.10 0.00 0.04 0.00 0.00 61.00 63.51 1hcf s PRO 295 Cb -0.40 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1hcf s PRO 295 CO 0.50 0.01 -0.21 0.95 0.04 0.00 0.00 177.00 178.29 1hcf s THR 296 N -1.44 2.66 -0.25 1.26 -4.23 -0.53 -4.92 115.64 108.19 1hcf s THR 296 Ca 0.52 -1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1hcf s THR 296 Cb -0.26 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1hcf s THR 296 CO 0.33 0.10 0.17 -0.55 -0.54 0.00 0.00 174.62 174.13 1hcf s SER 297 N -2.11 6.05 0.00 3.99 0.15 -1.26 -1.38 113.70 119.14 1hcf s SER 297 Ca 0.17 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1hcf s SER 297 Cb -0.10 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1hcf s SER 297 CO 0.09 0.02 0.00 0.47 1.20 0.00 0.00 173.24 175.02 1hcf n ASP 298 N 4.57 0.00 -0.04 5.45 8.00 -1.26 -4.97 116.55 128.30 1hcf n ASP 298 Ca -0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 1hcf n ASP 298 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1hcf n ASP 298 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1hcf h HIS 299 N 0.00 0.44 -1.80 1.24 -0.00 -1.99 -3.44 115.15 109.61 1hcf h HIS 299 Ca 0.00 -0.16 -0.60 0.00 -0.00 0.00 0.00 60.37 59.61 1hcf h HIS 299 Cb 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 27.41 27.21 1hcf h HIS 299 CO 0.00 0.84 -0.61 -1.01 -0.00 0.00 0.00 177.93 177.15 1hcf s HIS 300 N -3.98 2.51 0.37 5.26 3.76 -1.26 -4.94 115.29 117.01 1hcf s HIS 300 Ca -0.14 -0.55 -0.14 0.00 -0.15 0.00 0.00 55.06 54.08 1hcf s HIS 300 Cb 0.04 -1.62 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 1hcf s HIS 300 CO 0.76 0.45 0.78 -1.58 -0.85 0.00 0.00 174.74 174.30 1hcf s TRP 301 N -2.61 3.40 -0.04 1.40 0.52 -0.15 -4.71 118.94 116.76 1hcf s TRP 301 Ca 0.35 1.20 0.02 0.00 0.02 0.00 0.00 56.10 57.69 1hcf s TRP 301 Cb 0.04 -2.54 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 1hcf s TRP 301 CO 0.19 -0.02 -0.06 0.00 0.02 0.00 0.00 176.95 177.08 1hcf s ILE 303 N 0.62 4.70 0.04 0.00 1.01 -1.08 -1.45 121.20 125.06 1hcf s ILE 303 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 1hcf s ILE 303 Cb -0.12 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1hcf s ILE 303 CO 0.00 -0.48 1.11 -2.16 0.00 0.00 0.00 174.94 173.41 1hcf s PRO 304 N 1.54 4.49 0.13 2.79 0.04 -1.26 -1.63 135.00 141.09 1hcf s PRO 304 Ca 0.03 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1hcf s PRO 304 Cb -0.23 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1hcf s PRO 304 CO 0.05 -0.17 -0.06 -0.59 0.04 0.00 0.00 177.00 176.28 1hcf s PHE 305 N 0.99 1.04 -0.14 0.56 -0.12 -0.60 -1.86 117.98 117.86 1hcf s PHE 305 Ca 0.56 -0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 56.49 1hcf s PHE 305 Cb -0.26 -0.58 0.07 0.00 -0.63 0.00 0.00 43.02 41.62 1hcf s PHE 305 CO 0.29 -0.12 0.26 0.99 -0.05 0.00 0.00 175.22 176.59 1hcf s THR 306 N -3.57 -0.40 -0.10 -4.49 2.01 0.51 -1.95 115.64 107.65 1hcf s THR 306 Ca 0.16 0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1hcf s THR 306 Cb 0.05 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1hcf s THR 306 CO -0.02 0.06 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.07 1hcf s VAL 307 N 2.41 1.88 -0.14 3.82 1.01 0.28 -0.93 120.40 128.73 1hcf s VAL 307 Ca 0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1hcf s VAL 307 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1hcf s VAL 307 CO -0.09 0.52 0.01 -1.59 0.00 0.00 0.00 175.10 173.95 1hcf s LYS 308 N 0.43 3.55 0.00 2.72 0.00 0.16 -0.62 119.74 125.99 1hcf s LYS 308 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.37 1hcf s LYS 308 Cb -0.17 -2.97 0.00 0.00 0.00 0.00 0.00 37.83 34.68 1hcf s LYS 308 CO 0.07 0.40 0.00 0.41 0.00 0.00 0.00 175.35 176.24 1hcf n GLY 309 N 3.08 2.78 2.79 0.59 0.00 0.07 0.12 105.19 114.63 1hcf n GLY 309 Ca -0.18 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1hcf n GLY 309 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hcf s ASN 310 N 0.00 0.30 1.40 1.61 2.47 -1.08 -4.15 114.94 115.48 1hcf s ASN 310 Ca 0.00 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.07 1hcf s ASN 310 Cb 0.00 -0.15 0.34 0.00 -1.45 0.00 0.00 41.25 39.98 1hcf s ASN 310 CO 0.00 -0.12 0.86 -0.81 -3.72 0.00 0.00 177.10 173.31 1hcf n PRO 311 N 4.20 -4.25 -1.63 0.43 -0.04 -1.26 -2.19 135.00 130.26 1hcf n PRO 311 Ca -0.26 -1.43 -0.42 0.00 -0.04 0.00 0.00 63.50 61.34 1hcf n PRO 311 Cb 0.50 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1hcf n PRO 311 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1hcf s LYS 312 N -5.03 3.64 0.38 0.54 2.20 -1.26 -4.91 119.74 115.30 1hcf s LYS 312 Ca 0.63 2.34 -0.28 0.00 -0.36 0.00 0.00 55.97 58.30 1hcf s LYS 312 Cb -0.10 -4.27 -0.11 0.00 -1.51 0.00 0.00 37.83 31.84 1hcf s LYS 312 CO 0.52 -1.53 1.44 -2.30 -0.36 0.00 0.00 175.35 173.12 1hcf n PRO 313 N 8.15 2.51 -3.05 4.03 -0.02 -1.26 -4.98 135.00 140.38 1hcf n PRO 313 Ca 0.25 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 62.21 1hcf n PRO 313 Cb 0.43 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 1hcf n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hcf s ALA 314 N -1.13 3.35 -0.13 3.55 0.00 0.74 -4.88 121.76 123.26 1hcf s ALA 314 Ca 0.55 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1hcf s ALA 314 Cb -0.49 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1hcf s ALA 314 CO 0.63 -0.12 0.03 -0.51 0.00 0.00 0.00 175.76 175.79 1hcf s LEU 315 N 0.85 3.70 0.02 0.00 1.43 -1.26 -1.46 118.68 121.96 1hcf s LEU 315 Ca 0.37 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1hcf s LEU 315 Cb -0.18 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1hcf s LEU 315 CO 0.18 0.29 0.04 -1.10 0.23 0.00 0.00 176.35 175.99 1hcf s GLN 316 N -0.33 0.43 0.12 1.70 -1.52 -0.82 -4.97 119.66 114.28 1hcf s GLN 316 Ca 0.08 -0.61 0.11 0.00 -1.95 0.00 0.00 55.36 52.99 1hcf s GLN 316 Cb -0.12 0.17 -0.04 0.00 -0.22 0.00 0.00 33.01 32.79 1hcf s GLN 316 CO 0.02 -0.09 -0.26 -1.58 -0.25 0.00 0.00 175.29 173.12 1hcf s TRP 317 N -1.78 2.26 -0.10 0.91 0.52 -1.26 0.88 118.94 120.38 1hcf s TRP 317 Ca -0.12 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.65 1hcf s TRP 317 Cb -0.07 -1.24 -0.00 0.00 -1.15 0.00 0.00 33.47 31.02 1hcf s TRP 317 CO -0.01 0.31 -0.24 0.12 0.02 0.00 0.00 176.95 177.15 1hcf s PHE 318 N -1.05 2.55 -0.24 -1.98 5.36 0.16 -1.14 117.98 121.63 1hcf s PHE 318 Ca 0.13 -1.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.09 1hcf s PHE 318 Cb -0.10 -1.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.92 1hcf s PHE 318 CO 0.06 -0.40 -0.12 -0.47 -1.46 0.00 0.00 175.22 172.82 1hcf s TYR 319 N 0.30 3.12 -1.12 10.12 5.04 0.18 -0.55 117.35 134.44 1hcf s TYR 319 Ca -0.18 -2.01 -0.23 0.00 -2.44 0.00 0.00 57.07 52.21 1hcf s TYR 319 Cb -0.18 -1.96 0.01 0.00 0.35 0.00 0.00 41.96 40.19 1hcf s TYR 319 CO 0.09 -0.83 0.73 0.09 -1.34 0.00 0.00 175.55 174.28 1hcf n ASN 320 N 4.53 -4.93 -0.24 4.32 3.02 -0.94 -2.58 115.26 118.44 1hcf n ASN 320 Ca -0.16 -1.09 -0.03 0.00 -0.03 0.00 0.00 54.58 53.27 1hcf n ASN 320 Cb 0.45 -2.59 -0.01 0.00 -0.61 0.00 0.00 39.78 37.01 1hcf n ASN 320 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hcf n GLY 321 N -1.84 0.62 3.27 7.41 0.00 -1.26 -5.02 105.19 108.36 1hcf n GLY 321 Ca -0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1hcf n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcf s ALA 322 N -2.02 -0.68 0.22 4.61 0.00 -1.07 -5.13 121.76 117.69 1hcf s ALA 322 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1hcf s ALA 322 Cb 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 23.12 23.50 1hcf s ALA 322 CO 0.00 -0.51 1.28 -1.50 0.00 0.00 0.00 175.76 175.04 1hcf s ILE 323 N -3.21 3.22 -0.31 0.00 2.07 -1.26 0.51 121.20 122.22 1hcf s ILE 323 Ca -0.00 1.04 -0.20 0.00 -1.41 0.00 0.00 60.65 60.07 1hcf s ILE 323 Cb 0.01 -3.66 -0.01 0.00 0.13 0.00 0.00 42.46 38.93 1hcf s ILE 323 CO -0.08 0.17 0.63 -0.22 -1.91 0.00 0.00 174.94 173.54 1hcf s LEU 324 N -0.38 4.15 -0.45 8.50 0.20 -0.29 -4.74 118.68 125.67 1hcf s LEU 324 Ca 0.55 0.41 -0.26 0.00 0.69 0.00 0.00 54.13 55.52 1hcf s LEU 324 Cb -0.36 -2.82 0.03 0.00 -0.43 0.00 0.00 46.19 42.61 1hcf s LEU 324 CO 0.40 -0.49 0.93 0.20 -0.29 0.00 0.00 176.35 177.09 1hcf s ASN 325 N 1.65 6.52 0.67 3.68 0.01 -1.26 -4.68 114.94 121.53 1hcf s ASN 325 Ca 0.25 0.18 -0.13 0.00 -0.71 0.00 0.00 52.86 52.45 1hcf s ASN 325 Cb -0.15 -2.45 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1hcf s ASN 325 CO 0.12 -1.03 1.07 -1.61 -1.51 0.00 0.00 177.10 174.13 1hcf s GLU 326 N 3.74 2.96 0.00 -0.60 2.02 -1.26 -4.97 118.70 120.59 1hcf s GLU 326 Ca 0.37 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1hcf s GLU 326 Cb -0.10 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1hcf s GLU 326 CO 0.26 -1.09 0.00 -1.13 0.02 0.00 0.00 175.26 173.32 1hcf n SER 327 N -2.76 0.00 0.00 -0.19 3.41 0.19 -4.96 113.62 109.30 1hcf n SER 327 Ca 0.08 -0.42 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 1hcf n SER 327 Cb 0.53 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 1hcf n SER 327 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1hcf n LYS 328 N 0.00 0.86 0.00 4.33 2.85 -1.26 -2.72 118.16 122.22 1hcf n LYS 328 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1hcf n LYS 328 Cb 0.00 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1hcf n LYS 328 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hcf n TYR 329 N -0.60 0.00 -3.64 5.58 0.53 -1.26 -4.91 117.16 112.86 1hcf n TYR 329 Ca 0.04 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.73 1hcf n TYR 329 Cb 0.02 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.17 1hcf n TYR 329 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1hcf s ILE 330 N -1.82 -0.21 0.21 -0.72 1.01 -1.10 -0.94 121.20 117.63 1hcf s ILE 330 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 1hcf s ILE 330 Cb 0.00 -0.36 0.05 0.00 0.01 0.00 0.00 42.46 42.16 1hcf s ILE 330 CO 0.00 0.05 0.64 0.00 0.00 0.00 0.00 174.94 175.62 1hcf s THR 332 N -3.83 5.17 -0.07 0.00 2.01 -1.26 0.22 115.64 117.89 1hcf s THR 332 Ca 0.06 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1hcf s THR 332 Cb -0.03 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1hcf s THR 332 CO -0.04 0.46 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.74 1hcf s LYS 333 N -0.17 1.21 -0.41 4.92 -0.14 0.56 -4.92 119.74 120.79 1hcf s LYS 333 Ca 0.22 -0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.47 1hcf s LYS 333 Cb -0.15 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 34.81 1hcf s LYS 333 CO 0.09 -0.14 0.41 0.42 -0.76 0.00 0.00 175.35 175.38 1hcf s ILE 334 N 1.23 5.12 -0.12 2.17 -1.09 -1.26 -0.28 121.20 126.97 1hcf s ILE 334 Ca -0.05 -0.34 0.17 0.00 -2.23 0.00 0.00 60.65 58.20 1hcf s ILE 334 Cb -0.14 -4.00 -0.15 0.00 -1.58 0.00 0.00 42.46 36.59 1hcf s ILE 334 CO -0.02 -0.37 0.74 1.41 -1.23 0.00 0.00 174.94 175.48 1hcf n HIS 335 N 5.52 0.85 -3.92 3.97 8.25 0.55 -4.89 115.22 125.54 1hcf n HIS 335 Ca -0.08 0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 57.46 1hcf n HIS 335 Cb 0.48 -1.05 -0.17 0.00 1.12 0.00 0.00 29.99 30.37 1hcf n HIS 335 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hcf s VAL 336 N -2.93 0.36 -0.33 1.59 1.01 0.18 -4.99 120.40 115.28 1hcf s VAL 336 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1hcf s VAL 336 Cb 0.09 -0.47 0.10 0.00 0.00 0.00 0.00 36.38 36.10 1hcf s VAL 336 CO 0.82 0.22 0.11 0.42 0.00 0.00 0.00 175.10 176.67 1hcf s THR 337 N 1.46 1.14 0.00 3.92 -4.23 -1.26 0.73 115.64 117.41 1hcf s THR 337 Ca -0.03 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1hcf s THR 337 Cb -0.13 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1hcf s THR 337 CO -0.03 -0.70 0.00 0.59 -0.54 0.00 0.00 174.62 173.94 1hcf n ASN 338 N 4.59 0.00 0.01 3.99 3.02 -0.60 -4.98 115.26 121.29 1hcf n ASN 338 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.55 1hcf n ASN 338 Cb 0.41 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1hcf n ASN 338 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1hcf n HIS 339 N 0.00 0.00 -0.23 3.10 -0.00 -1.26 -4.86 115.22 111.97 1hcf n HIS 339 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1hcf n HIS 339 Cb 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 29.83 1hcf n HIS 339 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1hcf n THR 340 N -2.94 0.73 -3.77 3.57 -2.24 -1.26 -4.98 114.28 103.38 1hcf n THR 340 Ca -0.01 -0.75 -0.37 0.00 -2.27 0.00 0.00 64.05 60.66 1hcf n THR 340 Cb 0.04 0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 68.79 1hcf n THR 340 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hcf s GLU 341 N -0.73 3.47 -0.10 -0.78 2.12 -1.26 -0.75 118.70 120.67 1hcf s GLU 341 Ca 0.00 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1hcf s GLU 341 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1hcf s GLU 341 CO 0.00 -0.26 -0.17 0.71 -0.54 0.00 0.00 175.26 175.00 1hcf s TYR 342 N 1.57 2.68 -0.16 5.30 1.51 0.21 -1.55 117.35 126.91 1hcf s TYR 342 Ca 0.05 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1hcf s TYR 342 Cb -0.16 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1hcf s TYR 342 CO 0.02 -0.19 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.07 1hcf s HIS 343 N 0.10 2.74 0.00 2.71 3.76 0.22 -0.55 115.29 124.27 1hcf s HIS 343 Ca -0.08 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 53.42 1hcf s HIS 343 Cb -0.15 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1hcf s HIS 343 CO 0.05 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1hcf n GLY 344 N 4.32 2.97 3.06 -2.22 0.00 -0.82 -0.33 105.19 112.17 1hcf n GLY 344 Ca -0.20 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 1hcf n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcf s LEU 346 N -2.33 5.25 -0.10 0.00 2.96 -0.64 -0.33 118.68 123.49 1hcf s LEU 346 Ca -0.02 -1.08 -0.29 0.00 -0.22 0.00 0.00 54.13 52.52 1hcf s LEU 346 Cb 0.01 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1hcf s LEU 346 CO -0.06 -0.76 1.00 -1.58 -1.32 0.00 0.00 176.35 173.62 1hcf s GLN 347 N 2.16 4.43 -0.12 1.98 0.74 0.61 -2.62 119.66 126.84 1hcf s GLN 347 Ca 0.10 1.38 0.03 0.00 0.05 0.00 0.00 55.36 56.92 1hcf s GLN 347 Cb -0.21 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.37 1hcf s GLN 347 CO 0.10 -0.29 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.84 1hcf s LEU 348 N 1.91 1.97 -0.32 3.68 1.02 -0.55 -1.43 118.68 124.96 1hcf s LEU 348 Ca 0.48 -0.52 -0.11 0.00 0.02 0.00 0.00 54.13 53.99 1hcf s LEU 348 Cb -0.18 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 1hcf s LEU 348 CO 0.19 0.08 0.20 -0.62 0.02 0.00 0.00 176.35 176.22 1hcf s ASP 349 N 0.72 5.88 -1.21 2.29 -1.08 -0.12 -0.98 116.67 122.17 1hcf s ASP 349 Ca -0.11 -0.37 -0.14 0.00 -0.52 0.00 0.00 52.55 51.41 1hcf s ASP 349 Cb -0.16 -2.09 -0.01 0.00 -1.46 0.00 0.00 42.92 39.20 1hcf s ASP 349 CO 0.02 -0.18 0.71 0.59 0.52 0.00 0.00 175.17 176.82 1hcf n ASN 350 N 5.06 -3.88 -4.80 -0.34 3.02 -1.26 -4.94 115.26 108.12 1hcf n ASN 350 Ca -0.13 -0.99 -0.29 0.00 -0.03 0.00 0.00 54.58 53.13 1hcf n ASN 350 Cb 0.50 -3.40 0.12 0.00 -0.61 0.00 0.00 39.78 36.40 1hcf n ASN 350 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1hcf s PRO 351 N -6.08 1.41 0.16 3.52 0.04 -1.26 -5.07 135.00 127.71 1hcf s PRO 351 Ca 0.33 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 1hcf s PRO 351 Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1hcf s PRO 351 CO 0.86 -2.03 0.24 0.25 0.04 0.00 0.00 177.00 176.36 1hcf n THR 352 N -3.67 0.00 -0.33 1.26 -2.24 -1.26 -4.94 114.28 103.11 1hcf n THR 352 Ca 0.07 -0.80 0.28 0.00 -2.27 0.00 0.00 64.05 61.33 1hcf n THR 352 Cb 0.59 0.50 0.61 0.00 -2.10 0.00 0.00 70.33 69.93 1hcf n THR 352 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1hcf h HIS 353 N 1.47 0.41 -0.06 4.78 2.07 -1.81 0.44 115.15 122.45 1hcf h HIS 353 Ca -0.13 0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.42 1hcf h HIS 353 Cb 0.55 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 30.41 1hcf h HIS 353 CO 0.00 0.02 0.47 1.98 -3.07 0.00 0.00 177.93 177.33 1hcf h MET 354 N 0.23 0.00 -0.04 5.12 -1.53 -1.94 0.92 114.93 117.68 1hcf h MET 354 Ca 0.60 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.86 1hcf h MET 354 Cb 1.86 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.91 1hcf h MET 354 CO -0.20 0.00 0.00 0.09 0.14 0.00 0.00 176.91 176.94 1hcf n ASN 355 N -2.91 2.16 -4.69 1.39 4.13 0.15 -5.01 115.26 110.49 1hcf n ASN 355 Ca -0.00 -1.58 -0.33 0.00 1.68 0.00 0.00 54.58 54.35 1hcf n ASN 355 Cb 0.53 -0.02 0.14 0.00 -1.54 0.00 0.00 39.78 38.89 1hcf n ASN 355 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1hcf s ASN 356 N -1.09 3.35 0.00 6.41 0.01 0.31 -4.92 114.94 119.03 1hcf s ASN 356 Ca 0.16 2.34 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 1hcf s ASN 356 Cb 0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1hcf s ASN 356 CO 0.17 -2.82 0.00 0.61 -1.51 0.00 0.00 177.10 173.54 1hcf n GLY 357 N 0.46 1.99 3.67 0.66 0.00 -0.44 -4.98 105.19 106.55 1hcf n GLY 357 Ca 0.13 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1hcf n GLY 357 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hcf s ASP 358 N 0.00 6.97 -0.01 1.61 -0.00 -1.26 -1.34 116.67 122.65 1hcf s ASP 358 Ca 0.00 1.20 0.01 0.00 -0.00 0.00 0.00 52.55 53.76 1hcf s ASP 358 Cb 0.00 -2.46 -0.04 0.00 -0.00 0.00 0.00 42.92 40.42 1hcf s ASP 358 CO 0.00 -0.43 0.03 -0.31 -0.00 0.00 0.00 175.17 174.45 1hcf s TYR 359 N 2.27 3.14 -0.09 4.23 1.51 0.67 -2.20 117.35 126.90 1hcf s TYR 359 Ca 0.39 0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1hcf s TYR 359 Cb -0.16 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1hcf s TYR 359 CO 0.12 0.49 -0.03 0.99 -1.11 0.00 0.00 175.55 176.01 1hcf s THR 360 N -1.11 0.61 -0.09 -0.71 2.01 0.28 -0.76 115.64 115.86 1hcf s THR 360 Ca 0.20 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1hcf s THR 360 Cb -0.12 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1hcf s THR 360 CO 0.11 0.30 0.46 -0.22 -0.69 0.00 0.00 174.62 174.58 1hcf s LEU 361 N 1.85 4.32 -0.22 4.42 2.96 -0.65 0.35 118.68 131.72 1hcf s LEU 361 Ca 0.05 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 54.79 1hcf s LEU 361 Cb -0.12 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.92 1hcf s LEU 361 CO -0.06 0.08 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.31 1hcf s ILE 362 N 0.24 2.65 -0.50 6.68 1.01 0.25 -2.83 121.20 128.71 1hcf s ILE 362 Ca 0.25 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1hcf s ILE 362 Cb -0.15 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.16 1hcf s ILE 362 CO 0.11 0.35 0.44 0.00 0.00 0.00 0.00 174.94 175.83 1hcf s ALA 363 N 1.33 3.60 -0.16 9.38 0.00 -0.66 -1.94 121.76 133.31 1hcf s ALA 363 Ca 0.02 -2.29 -0.05 0.00 0.00 0.00 0.00 51.96 49.64 1hcf s ALA 363 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1hcf s ALA 363 CO -0.07 -1.85 0.02 0.21 0.00 0.00 0.00 175.76 174.07 1hcf s LYS 364 N 1.62 3.76 0.08 0.00 2.20 -0.53 -0.94 119.74 125.93 1hcf s LYS 364 Ca 0.04 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 1hcf s LYS 364 Cb -0.27 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1hcf s LYS 364 CO 0.05 0.31 0.24 1.21 -0.36 0.00 0.00 175.35 176.80 1hcf s ASN 365 N 0.24 0.01 0.36 1.43 2.47 0.31 -0.18 114.94 119.57 1hcf s ASN 365 Ca 0.01 -0.46 0.23 0.00 0.42 0.00 0.00 52.86 53.06 1hcf s ASN 365 Cb -0.13 0.35 1.25 0.00 -1.45 0.00 0.00 41.25 41.27 1hcf s ASN 365 CO 0.01 -0.69 1.38 1.21 -3.72 0.00 0.00 177.10 175.29 1hcf n GLU 366 N 0.18 -0.04 -0.10 0.43 2.13 -1.26 -0.11 120.64 121.87 1hcf n GLU 366 Ca -0.17 1.16 0.12 0.00 0.66 0.00 0.00 57.16 58.93 1hcf n GLU 366 Cb 0.61 -2.17 0.26 0.00 0.27 0.00 0.00 31.44 30.41 1hcf n GLU 366 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1hcf n TYR 367 N -4.72 0.26 -1.52 4.31 4.02 -1.26 -5.06 117.16 113.19 1hcf n TYR 367 Ca 0.34 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1hcf n TYR 367 Cb 1.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.57 1hcf n TYR 367 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hcf n GLY 368 N 1.35 0.26 3.30 2.72 0.00 0.85 -4.55 105.19 109.12 1hcf n GLY 368 Ca 0.17 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1hcf n GLY 368 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hcf s LYS 369 N -2.00 1.14 0.03 1.61 -2.85 -1.26 -0.53 119.74 115.88 1hcf s LYS 369 Ca 0.00 -1.28 -0.03 0.00 -1.00 0.00 0.00 55.97 53.66 1hcf s LYS 369 Cb 0.00 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1hcf s LYS 369 CO 0.00 -0.40 0.04 0.34 0.10 0.00 0.00 175.35 175.42 1hcf s ASP 370 N -3.01 0.23 -0.06 0.03 -1.08 -0.12 -4.89 116.67 107.77 1hcf s ASP 370 Ca 0.21 -0.55 -0.03 0.00 -0.52 0.00 0.00 52.55 51.67 1hcf s ASP 370 Cb 0.04 0.17 0.04 0.00 -1.46 0.00 0.00 42.92 41.71 1hcf s ASP 370 CO 0.02 -0.43 0.10 -1.61 0.52 0.00 0.00 175.17 173.78 1hcf s GLU 371 N -2.22 -0.03 0.02 4.34 2.02 -1.26 -1.65 118.70 119.91 1hcf s GLU 371 Ca -0.09 0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.40 1hcf s GLU 371 Cb -0.04 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.78 1hcf s GLU 371 CO -0.03 -0.31 -0.15 0.21 0.02 0.00 0.00 175.26 175.00 1hcf s LYS 372 N 2.17 1.08 0.24 1.61 2.20 -1.13 -5.02 119.74 120.89 1hcf s LYS 372 Ca 0.04 -0.65 0.11 0.00 -0.36 0.00 0.00 55.97 55.11 1hcf s LYS 372 Cb -0.12 -1.08 -0.05 0.00 -1.51 0.00 0.00 37.83 35.08 1hcf s LYS 372 CO -0.04 0.28 -0.21 -1.14 -0.36 0.00 0.00 175.35 173.88 1hcf s GLN 373 N -0.75 1.58 -0.12 4.03 0.74 -1.26 -1.63 119.66 122.24 1hcf s GLN 373 Ca 0.04 -1.65 -0.17 0.00 0.05 0.00 0.00 55.36 53.63 1hcf s GLN 373 Cb -0.07 -1.75 0.04 0.00 1.10 0.00 0.00 33.01 32.33 1hcf s GLN 373 CO 0.00 0.35 0.43 -1.50 -0.55 0.00 0.00 175.29 174.02 1hcf s ILE 374 N -2.18 0.01 0.08 -2.34 -1.16 0.06 -5.00 121.20 110.67 1hcf s ILE 374 Ca 0.25 -0.11 -0.15 0.00 -0.51 0.00 0.00 60.65 60.14 1hcf s ILE 374 Cb -0.06 -0.65 -0.06 0.00 0.61 0.00 0.00 42.46 42.30 1hcf s ILE 374 CO 0.12 -0.06 0.49 -0.55 -2.81 0.00 0.00 174.94 172.14 1hcf s SER 375 N -0.23 6.85 -0.04 4.50 0.15 -1.26 -0.23 113.70 123.43 1hcf s SER 375 Ca -0.04 1.05 0.02 0.00 0.70 0.00 0.00 55.95 57.68 1hcf s SER 375 Cb -0.03 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1hcf s SER 375 CO 0.02 0.21 -0.11 0.00 1.20 0.00 0.00 173.24 174.57 1hcf s ALA 376 N -1.27 1.07 -0.12 5.45 0.00 -0.45 -4.66 121.76 121.79 1hcf s ALA 376 Ca 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 1hcf s ALA 376 Cb -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1hcf s ALA 376 CO 0.17 0.13 -0.07 -1.58 0.00 0.00 0.00 175.76 174.41 1hcf s HIS 377 N 0.43 1.48 -0.16 0.00 5.04 -1.26 -1.33 115.29 119.49 1hcf s HIS 377 Ca -0.08 -0.75 0.09 0.00 -1.54 0.00 0.00 55.06 52.78 1hcf s HIS 377 Cb -0.12 -1.23 -0.16 0.00 0.04 0.00 0.00 32.58 31.10 1hcf s HIS 377 CO 0.02 -0.52 -0.02 1.19 -2.34 0.00 0.00 174.74 173.07 1hcf n PHE 378 N 4.94 0.00 -3.62 3.88 3.01 -1.26 -4.95 117.46 119.46 1hcf n PHE 378 Ca -0.12 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.28 1hcf n PHE 378 Cb 0.50 -0.73 -0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1hcf n PHE 378 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hcf s MET 379 N -2.37 0.26 0.76 -1.08 0.23 -1.26 -4.92 119.30 110.92 1hcf s MET 379 Ca -0.13 0.10 -0.11 0.00 -1.03 0.00 0.00 55.69 54.52 1hcf s MET 379 Cb 0.05 0.13 0.05 0.00 -1.53 0.00 0.00 34.83 33.52 1hcf s MET 379 CO 0.55 -0.07 1.08 0.20 -2.03 0.00 0.00 175.02 174.75 1hcf s GLY 380 N -0.83 1.65 0.53 3.16 0.00 -1.26 -3.24 107.32 107.33 1hcf s GLY 380 Ca 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 1hcf s GLY 380 CO -0.06 0.34 1.15 -0.98 0.00 0.00 0.00 173.10 173.56 1hcf s TRP 381 N -3.07 2.66 -0.29 1.90 0.52 -1.26 -4.62 118.94 114.78 1hcf s TRP 381 Ca 0.60 1.53 -0.38 0.00 0.02 0.00 0.00 56.10 57.88 1hcf s TRP 381 Cb -0.15 -3.34 -0.14 0.00 -1.15 0.00 0.00 33.47 28.69 1hcf s TRP 381 CO 0.55 -1.67 1.95 -2.30 0.02 0.00 0.00 176.95 175.50 1hcf n PRO 382 N -1.18 1.24 0.00 4.98 -0.02 -1.26 -5.13 135.00 133.63 1hcf n PRO 382 Ca 0.11 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1hcf n PRO 382 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1hcf n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89