#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 1.81 -0.03 1.43 3.76 -1.26 -4.68 115.29 116.32 1hcf s HIS 284 Ca 0.00 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 53.77 1hcf s HIS 284 Cb 0.00 -1.37 0.03 0.00 1.11 0.00 0.00 32.58 32.35 1hcf s HIS 284 CO 0.00 -0.63 0.01 -1.64 -0.85 0.00 0.00 174.74 171.63 1hcf s MET 285 N 1.60 0.27 0.63 1.40 1.00 -0.85 -4.95 119.30 118.38 1hcf s MET 285 Ca 0.01 0.11 -0.13 0.00 0.00 0.00 0.00 55.69 55.68 1hcf s MET 285 Cb -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 34.83 34.15 1hcf s MET 285 CO -0.08 -0.17 1.05 0.00 0.00 0.00 0.00 175.02 175.82 1hcf s ALA 286 N 1.20 2.80 0.67 3.03 0.00 -1.26 -2.17 121.76 126.02 1hcf s ALA 286 Ca -0.07 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1hcf s ALA 286 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1hcf s ALA 286 CO -0.02 -0.88 1.28 -2.30 0.00 0.00 0.00 175.76 173.84 1hcf n PRO 287 N -2.48 1.00 -3.68 0.00 -0.02 -1.26 -4.54 135.00 124.02 1hcf n PRO 287 Ca 0.08 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1hcf n PRO 287 Cb 0.53 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 1hcf n PRO 287 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1hcf s THR 288 N -1.47 -0.31 -0.59 3.45 -4.23 -0.65 -4.33 115.64 107.51 1hcf s THR 288 Ca 0.82 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 61.31 1hcf s THR 288 Cb -0.37 -0.57 0.12 0.00 1.34 0.00 0.00 72.50 73.02 1hcf s THR 288 CO 0.41 0.07 0.64 -0.63 -0.54 0.00 0.00 174.62 174.57 1hcf s ILE 289 N 1.97 5.00 -1.78 2.99 1.01 -1.26 -0.60 121.20 128.52 1hcf s ILE 289 Ca -0.05 -1.25 0.27 0.00 0.00 0.00 0.00 60.65 59.61 1hcf s ILE 289 Cb -0.10 -4.44 0.31 0.00 0.01 0.00 0.00 42.46 38.24 1hcf s ILE 289 CO -0.12 -1.03 1.62 0.35 0.00 0.00 0.00 174.94 175.76 1hcf n THR 290 N 5.37 0.00 -3.63 2.92 -2.24 -0.79 -4.84 114.28 111.07 1hcf n THR 290 Ca -0.10 -0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1hcf n THR 290 Cb 0.42 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.47 -1.11 -0.24 4.78 5.36 -1.18 -4.94 117.98 118.18 1hcf s PHE 291 Ca 0.26 2.06 -0.06 0.00 -0.96 0.00 0.00 56.93 58.23 1hcf s PHE 291 Cb 0.19 0.66 0.12 0.00 -0.34 0.00 0.00 43.02 43.66 1hcf s PHE 291 CO 0.50 -0.55 0.48 -1.17 -1.46 0.00 0.00 175.22 173.02 1hcf s LEU 292 N 2.18 -0.84 0.41 6.12 2.96 -1.26 0.26 118.68 128.50 1hcf s LEU 292 Ca -0.08 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1hcf s LEU 292 Cb -0.08 1.59 -0.02 0.00 0.50 0.00 0.00 46.19 48.18 1hcf s LEU 292 CO -0.19 -0.25 0.15 -1.61 -1.32 0.00 0.00 176.35 173.13 1hcf s GLU 293 N 2.69 1.96 0.64 1.98 0.41 -0.99 -4.95 118.70 120.44 1hcf s GLU 293 Ca 0.04 -2.20 -0.18 0.00 -0.41 0.00 0.00 54.97 52.22 1hcf s GLU 293 Cb -0.13 -0.51 -0.01 0.00 -1.78 0.00 0.00 34.13 31.70 1hcf s GLU 293 CO -0.16 -0.53 1.28 -1.12 -0.49 0.00 0.00 175.26 174.24 1hcf s SER 294 N -3.61 4.68 0.47 -0.19 0.01 -1.26 -4.08 113.70 109.72 1hcf s SER 294 Ca 0.24 2.58 -0.23 0.00 1.31 0.00 0.00 55.95 59.85 1hcf s SER 294 Cb 0.02 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1hcf s SER 294 CO 0.16 -1.95 1.23 -2.16 0.41 0.00 0.00 173.24 170.93 1hcf s PRO 295 N -3.38 3.68 0.15 12.44 0.04 -1.26 -4.52 135.00 142.15 1hcf s PRO 295 Ca 0.82 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.87 1hcf s PRO 295 Cb -0.36 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1hcf s PRO 295 CO 0.39 -0.66 -0.06 0.95 0.04 0.00 0.00 177.00 177.65 1hcf s THR 296 N -1.44 3.44 -0.37 1.26 -4.23 -0.41 -4.90 115.64 108.99 1hcf s THR 296 Ca 0.64 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1hcf s THR 296 Cb -0.33 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1hcf s THR 296 CO 0.40 -0.03 0.24 -0.55 -0.54 0.00 0.00 174.62 174.13 1hcf s SER 297 N -2.65 5.91 0.00 3.99 0.15 -1.26 -0.53 113.70 119.31 1hcf s SER 297 Ca 0.25 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1hcf s SER 297 Cb -0.10 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1hcf s SER 297 CO 0.16 -0.34 0.00 0.47 1.20 0.00 0.00 173.24 174.73 1hcf n ASP 298 N 5.08 0.00 -0.04 5.45 8.00 -1.26 -4.97 116.55 128.80 1hcf n ASP 298 Ca -0.12 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.26 1hcf n ASP 298 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.29 -1.20 1.24 -0.00 -1.99 -3.44 115.15 110.05 1hcf h HIS 299 Ca 0.00 -0.07 -0.59 0.00 -0.00 0.00 0.00 60.37 59.71 1hcf h HIS 299 Cb 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.41 27.25 1hcf h HIS 299 CO 0.00 0.57 -0.47 -1.01 -0.00 0.00 0.00 177.93 177.02 1hcf s HIS 300 N -4.65 2.29 0.25 5.26 3.76 -1.26 -4.93 115.29 116.01 1hcf s HIS 300 Ca -0.14 -0.70 -0.14 0.00 -0.15 0.00 0.00 55.06 53.93 1hcf s HIS 300 Cb 0.05 -1.89 -0.08 0.00 1.11 0.00 0.00 32.58 31.77 1hcf s HIS 300 CO 0.72 0.08 0.64 -1.58 -0.85 0.00 0.00 174.74 173.75 1hcf s TRP 301 N -2.68 3.47 -0.10 1.40 0.52 -0.47 -4.65 118.94 116.42 1hcf s TRP 301 Ca 0.34 1.10 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 1hcf s TRP 301 Cb 0.03 -2.43 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1hcf s TRP 301 CO 0.19 0.24 -0.05 0.00 0.02 0.00 0.00 176.95 177.35 1hcf s ILE 303 N 1.79 4.65 0.62 0.00 1.01 -0.94 -1.28 121.20 127.06 1hcf s ILE 303 Ca 0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 1hcf s ILE 303 Cb -0.13 -4.56 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 1hcf s ILE 303 CO -0.07 -1.24 1.16 -2.16 0.00 0.00 0.00 174.94 172.62 1hcf s PRO 304 N 3.15 2.87 0.18 2.79 0.04 -1.26 -2.01 135.00 140.76 1hcf s PRO 304 Ca 0.15 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 1hcf s PRO 304 Cb -0.22 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1hcf s PRO 304 CO 0.07 -1.24 0.80 -0.59 0.04 0.00 0.00 177.00 176.09 1hcf s PHE 305 N -1.94 -0.25 -0.10 0.56 -0.12 -0.61 -2.35 117.98 113.17 1hcf s PHE 305 Ca 0.72 -0.07 -0.06 0.00 -0.05 0.00 0.00 56.93 57.48 1hcf s PHE 305 Cb -0.25 0.64 0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1hcf s PHE 305 CO 0.36 -0.94 0.24 0.99 -0.05 0.00 0.00 175.22 175.82 1hcf s THR 306 N -3.57 -0.03 -0.01 -4.49 2.01 0.14 -2.35 115.64 107.34 1hcf s THR 306 Ca 0.09 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.25 1hcf s THR 306 Cb -0.03 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1hcf s THR 306 CO -0.00 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.15 1hcf s VAL 307 N 1.07 1.07 0.15 3.82 1.01 -0.23 -1.89 120.40 125.41 1hcf s VAL 307 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.41 1hcf s VAL 307 Cb -0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1hcf s VAL 307 CO -0.07 0.30 -0.18 -0.54 0.00 0.00 0.00 175.10 174.61 1hcf s LYS 308 N -0.33 1.77 0.00 2.72 1.02 0.23 -0.20 119.74 124.95 1hcf s LYS 308 Ca 0.05 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1hcf s LYS 308 Cb -0.05 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1hcf s LYS 308 CO -0.00 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 1hcf n GLY 309 N 0.45 3.53 3.42 -3.33 0.00 -0.83 -1.63 105.19 106.80 1hcf n GLY 309 Ca -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.78 0.90 1.61 2.47 -0.92 -4.15 114.94 114.07 1hcf s ASN 310 Ca 0.00 1.22 -0.10 0.00 0.42 0.00 0.00 52.86 54.40 1hcf s ASN 310 Cb 0.00 1.89 0.14 0.00 -1.45 0.00 0.00 41.25 41.83 1hcf s ASN 310 CO 0.00 -0.23 1.13 -2.16 -3.72 0.00 0.00 177.10 172.12 1hcf s PRO 311 N 2.78 1.14 -0.26 0.43 0.04 -1.26 -2.01 135.00 135.85 1hcf s PRO 311 Ca -0.01 1.44 -0.41 0.00 0.04 0.00 0.00 61.00 62.07 1hcf s PRO 311 Cb -0.13 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 1hcf s PRO 311 CO -0.17 -2.51 1.66 1.17 0.04 0.00 0.00 177.00 177.18 1hcf n LYS 312 N -4.14 0.95 -2.08 4.56 4.81 -1.26 -4.87 118.16 116.13 1hcf n LYS 312 Ca 0.11 0.35 -0.36 0.00 -0.87 0.00 0.00 58.31 57.54 1hcf n LYS 312 Cb 0.52 -2.00 0.02 0.00 0.02 0.00 0.00 35.03 33.60 1hcf n LYS 312 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1hcf s PRO 313 N 2.99 3.08 -0.11 1.64 0.02 -1.26 -4.91 135.00 136.45 1hcf s PRO 313 Ca 0.97 1.77 -0.19 0.00 0.02 0.00 0.00 61.00 63.57 1hcf s PRO 313 Cb -1.12 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 1hcf s PRO 313 CO 0.65 -1.11 0.52 0.00 -0.33 0.00 0.00 177.00 176.74 1hcf s ALA 314 N -1.64 3.45 0.15 -1.55 0.00 -0.01 -4.83 121.76 117.32 1hcf s ALA 314 Ca 0.76 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1hcf s ALA 314 Cb -0.29 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1hcf s ALA 314 CO 0.31 -0.01 0.31 -0.51 0.00 0.00 0.00 175.76 175.87 1hcf s LEU 315 N 0.63 4.30 -0.17 0.00 1.43 -1.26 -2.18 118.68 121.43 1hcf s LEU 315 Ca 0.28 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.50 1hcf s LEU 315 Cb -0.16 -3.06 0.05 0.00 0.03 0.00 0.00 46.19 43.06 1hcf s LEU 315 CO 0.12 0.05 0.55 -1.58 0.23 0.00 0.00 176.35 175.71 1hcf s GLN 316 N -3.04 0.70 0.17 1.70 2.00 -0.90 -5.01 119.66 115.28 1hcf s GLN 316 Ca 0.37 0.61 0.11 0.00 -2.00 0.00 0.00 55.36 54.45 1hcf s GLN 316 Cb -0.12 0.34 -0.04 0.00 0.80 0.00 0.00 33.01 33.99 1hcf s GLN 316 CO 0.28 -0.12 -0.22 -1.58 -0.50 0.00 0.00 175.29 173.16 1hcf s TRP 317 N -0.05 2.38 -0.06 1.67 0.52 -1.26 -1.22 118.94 120.92 1hcf s TRP 317 Ca -0.03 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.78 1hcf s TRP 317 Cb -0.04 -1.21 0.01 0.00 -1.15 0.00 0.00 33.47 31.09 1hcf s TRP 317 CO 0.02 0.46 -0.11 -0.06 0.02 0.00 0.00 176.95 177.28 1hcf s PHE 318 N -1.51 1.34 -0.12 -1.98 0.40 -0.25 -1.32 117.98 114.55 1hcf s PHE 318 Ca 0.20 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1hcf s PHE 318 Cb -0.09 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1hcf s PHE 318 CO 0.10 -0.25 -0.10 -0.47 0.70 0.00 0.00 175.22 175.20 1hcf s TYR 319 N 0.66 2.88 -1.01 0.36 5.04 0.37 -0.86 117.35 124.79 1hcf s TYR 319 Ca -0.14 -0.41 -0.29 0.00 -2.44 0.00 0.00 57.07 53.80 1hcf s TYR 319 Cb -0.15 -1.84 0.04 0.00 0.35 0.00 0.00 41.96 40.36 1hcf s TYR 319 CO 0.03 -0.05 0.54 0.09 -1.34 0.00 0.00 175.55 174.82 1hcf n ASN 320 N 3.25 -3.23 0.00 4.32 3.02 -0.41 -0.71 115.26 121.50 1hcf n ASN 320 Ca -0.18 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1hcf n ASN 320 Cb 0.53 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 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 -1.92 1.11 3.88 7.41 0.00 -1.26 -4.96 105.19 109.45 1hcf n GLY 321 Ca -0.10 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.00 3.40 0.18 4.61 0.00 0.11 -5.01 121.76 125.05 1hcf s ALA 322 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 1hcf s ALA 322 Cb 0.00 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.40 1hcf s ALA 322 CO 0.00 0.02 1.41 -1.50 0.00 0.00 0.00 175.76 175.70 1hcf s ILE 323 N -2.33 2.97 -0.43 0.00 2.07 -1.26 0.14 121.20 122.36 1hcf s ILE 323 Ca 0.50 0.76 -0.24 0.00 -1.41 0.00 0.00 60.65 60.25 1hcf s ILE 323 Cb -0.10 -3.48 0.02 0.00 0.13 0.00 0.00 42.46 39.03 1hcf s ILE 323 CO 0.31 0.09 0.84 -0.22 -1.91 0.00 0.00 174.94 174.06 1hcf s LEU 324 N 0.35 4.13 -0.50 8.50 2.96 -0.43 -4.71 118.68 128.99 1hcf s LEU 324 Ca 0.62 0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 54.37 1hcf s LEU 324 Cb -0.39 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.26 1hcf s LEU 324 CO 0.36 -0.92 0.99 0.20 -1.32 0.00 0.00 176.35 175.66 1hcf s ASN 325 N 2.10 6.47 0.64 3.68 0.01 -1.26 -4.66 114.94 121.92 1hcf s ASN 325 Ca 0.33 0.05 -0.17 0.00 -0.71 0.00 0.00 52.86 52.36 1hcf s ASN 325 Cb -0.12 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 1hcf s ASN 325 CO 0.22 -1.17 1.19 -1.61 -1.51 0.00 0.00 177.10 174.23 1hcf s GLU 326 N 4.03 2.73 0.14 -0.60 2.02 -1.26 -4.99 118.70 120.76 1hcf s GLU 326 Ca 0.38 1.75 0.01 0.00 0.02 0.00 0.00 54.97 57.12 1hcf s GLU 326 Cb -0.10 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 1hcf s GLU 326 CO 0.25 -1.38 0.16 -1.13 0.02 0.00 0.00 175.26 173.19 1hcf n SER 327 N -2.00 -0.45 0.00 -0.19 3.41 0.06 -4.98 113.62 109.48 1hcf n SER 327 Ca 0.13 -1.79 0.10 0.00 -0.26 0.00 0.00 58.87 57.05 1hcf n SER 327 Cb 0.50 0.88 0.54 0.00 -0.26 0.00 0.00 64.21 65.88 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 -0.24 0.47 -0.04 4.33 2.85 -1.26 -2.60 118.16 121.68 1hcf n LYS 328 Ca 0.01 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.33 1hcf n LYS 328 Cb 0.23 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.98 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 -1.12 0.00 -3.53 5.58 4.02 -1.26 -4.86 117.16 115.98 1hcf n TYR 329 Ca 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.79 1hcf n TYR 329 Cb 0.10 -0.60 -0.14 0.00 -0.02 0.00 0.00 39.34 38.68 1hcf n TYR 329 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1hcf s ILE 330 N -2.86 -0.21 0.12 -0.72 1.01 -1.07 -0.89 121.20 116.58 1hcf s ILE 330 Ca -0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1hcf s ILE 330 Cb 0.09 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1hcf s ILE 330 CO 0.72 -0.34 0.33 0.00 0.00 0.00 0.00 174.94 175.66 1hcf s THR 332 N -3.84 5.01 -0.04 0.00 2.01 -1.26 0.44 115.64 117.95 1hcf s THR 332 Ca 0.05 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1hcf s THR 332 Cb 0.03 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 1hcf s THR 332 CO -0.10 0.21 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.34 1hcf s LYS 333 N 1.05 1.69 -0.36 4.92 -0.14 -0.14 -4.94 119.74 121.82 1hcf s LYS 333 Ca 0.39 -0.56 -0.10 0.00 -1.36 0.00 0.00 55.97 54.34 1hcf s LYS 333 Cb -0.18 -1.46 0.02 0.00 -1.68 0.00 0.00 37.83 34.53 1hcf s LYS 333 CO 0.18 0.21 0.18 0.42 -0.76 0.00 0.00 175.35 175.58 1hcf s ILE 334 N 0.11 4.50 -0.01 2.17 -1.09 -1.26 -1.24 121.20 124.38 1hcf s ILE 334 Ca -0.05 -0.79 0.06 0.00 -2.23 0.00 0.00 60.65 57.64 1hcf s ILE 334 Cb -0.12 -3.46 -0.24 0.00 -1.58 0.00 0.00 42.46 37.06 1hcf s ILE 334 CO 0.02 -0.16 0.79 0.45 -1.23 0.00 0.00 174.94 174.82 1hcf h HIS 335 N 8.39 0.16 -3.48 3.97 3.86 -1.37 -3.46 115.15 123.23 1hcf h HIS 335 Ca -0.27 -0.12 -0.31 0.00 -1.16 0.00 0.00 60.37 58.51 1hcf h HIS 335 Cb 1.11 -0.01 -0.35 0.00 1.06 0.00 0.00 27.41 29.23 1hcf h HIS 335 CO 0.59 1.18 -0.73 0.08 0.86 0.00 0.00 177.93 179.91 1hcf s VAL 336 N -2.62 -0.07 -0.16 2.45 1.01 -0.73 -5.02 120.40 115.27 1hcf s VAL 336 Ca -0.07 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1hcf s VAL 336 Cb 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.39 1hcf s VAL 336 CO 0.83 0.10 -0.13 0.28 0.00 0.00 0.00 175.10 176.18 1hcf s THR 337 N 1.25 1.58 0.00 3.92 -1.32 -1.26 0.75 115.64 120.56 1hcf s THR 337 Ca -0.07 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1hcf s THR 337 Cb -0.13 -1.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1hcf s THR 337 CO -0.03 0.40 0.00 0.59 -2.21 0.00 0.00 174.62 173.37 1hcf n ASN 338 N 4.76 0.00 0.00 8.08 3.02 0.80 -5.00 115.26 126.92 1hcf n ASN 338 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1hcf n ASN 338 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.05 3.10 -0.00 -1.26 -4.59 115.22 112.52 1hcf n HIS 339 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1hcf n HIS 339 Cb 0.00 -0.07 0.08 0.00 -0.12 0.00 0.00 29.99 29.88 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 -0.71 0.61 -3.80 3.57 -2.24 -1.26 -4.97 114.28 105.48 1hcf n THR 340 Ca 0.00 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 60.62 1hcf n THR 340 Cb 0.00 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 1hcf n THR 340 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hcf s GLU 341 N -0.86 3.85 -0.12 -0.78 2.02 -1.26 -1.95 118.70 119.59 1hcf s GLU 341 Ca 0.13 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1hcf s GLU 341 Cb 0.08 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 31.01 1hcf s GLU 341 CO 0.10 0.52 -0.17 0.71 0.02 0.00 0.00 175.26 176.45 1hcf s TYR 342 N -0.28 2.16 -0.16 1.61 1.51 0.73 -0.14 117.35 122.78 1hcf s TYR 342 Ca 0.11 -1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 55.09 1hcf s TYR 342 Cb -0.11 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1hcf s TYR 342 CO 0.01 -0.54 -0.08 -1.01 -1.11 0.00 0.00 175.55 172.82 1hcf s HIS 343 N 1.02 2.91 0.00 2.71 3.76 0.23 -1.07 115.29 124.85 1hcf s HIS 343 Ca -0.05 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1hcf s HIS 343 Cb -0.15 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1hcf s HIS 343 CO -0.03 -0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 1hcf n GLY 344 N 3.81 2.21 3.23 -2.22 0.00 -0.99 -0.86 105.19 110.37 1hcf n GLY 344 Ca -0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.03 4.53 -0.01 0.00 2.96 -0.85 -0.97 118.68 121.32 1hcf s LEU 346 Ca 0.22 -0.40 -0.21 0.00 -0.22 0.00 0.00 54.13 53.52 1hcf s LEU 346 Cb 0.06 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1hcf s LEU 346 CO 0.02 -0.27 0.61 -1.58 -1.32 0.00 0.00 176.35 173.81 1hcf s GLN 347 N 1.79 4.33 -0.12 1.98 0.74 0.17 -2.21 119.66 126.34 1hcf s GLN 347 Ca 0.07 0.76 0.01 0.00 0.05 0.00 0.00 55.36 56.25 1hcf s GLN 347 Cb -0.17 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.61 1hcf s GLN 347 CO 0.11 0.35 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.55 1hcf s LEU 348 N -0.13 1.60 -0.34 3.68 1.02 -0.55 -2.00 118.68 121.96 1hcf s LEU 348 Ca 0.32 -0.42 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 1hcf s LEU 348 Cb -0.18 -1.07 -0.00 0.00 0.02 0.00 0.00 46.19 44.96 1hcf s LEU 348 CO 0.17 -0.04 0.53 -0.62 0.02 0.00 0.00 176.35 176.42 1hcf s ASP 349 N 1.33 6.34 -1.27 2.29 -1.08 -0.07 -1.37 116.67 122.84 1hcf s ASP 349 Ca 0.00 0.05 -0.09 0.00 -0.52 0.00 0.00 52.55 51.99 1hcf s ASP 349 Cb -0.14 -2.28 -0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1hcf s ASP 349 CO -0.07 -0.48 0.63 0.59 0.52 0.00 0.00 175.17 176.37 1hcf n ASN 350 N 5.77 -2.66 -4.64 -0.34 3.02 -1.26 -4.95 115.26 110.20 1hcf n ASN 350 Ca -0.04 -0.98 -0.29 0.00 -0.03 0.00 0.00 54.58 53.24 1hcf n ASN 350 Cb 0.49 -3.39 0.19 0.00 -0.61 0.00 0.00 39.78 36.46 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 -6.19 0.19 0.00 3.52 0.04 -1.26 -5.06 135.00 126.24 1hcf s PRO 351 Ca 0.21 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1hcf s PRO 351 Cb -0.07 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1hcf s PRO 351 CO 0.86 -2.92 0.00 0.25 0.04 0.00 0.00 177.00 175.23 1hcf n THR 352 N -4.33 0.00 0.31 1.26 -2.24 -1.26 -4.95 114.28 103.07 1hcf n THR 352 Ca 0.05 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.02 1hcf n THR 352 Cb 0.56 0.00 0.97 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.88 0.00 0.00 4.78 2.07 -1.80 -1.71 115.15 119.37 1hcf h HIS 353 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1hcf h HIS 353 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 1hcf h HIS 353 CO 0.00 0.02 -0.01 0.52 -3.07 0.00 0.00 177.93 175.39 1hcf h MET 354 N 0.00 0.00 -0.03 5.12 2.86 -1.95 -1.61 114.93 119.33 1hcf h MET 354 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hcf h MET 354 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1hcf h MET 354 CO 0.00 0.01 -0.09 0.09 1.06 0.00 0.00 176.91 177.99 1hcf n ASN 355 N -3.22 2.66 -4.77 1.22 4.13 -0.65 -4.96 115.26 109.67 1hcf n ASN 355 Ca -0.02 -1.83 -0.40 0.00 1.68 0.00 0.00 54.58 54.01 1hcf n ASN 355 Cb 0.14 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 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 -1.95 6.24 0.00 6.41 0.01 -0.61 -4.89 114.94 120.15 1hcf s ASN 356 Ca 0.24 2.86 0.00 0.00 -0.71 0.00 0.00 52.86 55.25 1hcf s ASN 356 Cb 0.18 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1hcf s ASN 356 CO 0.33 -0.92 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 1hcf n GLY 357 N 0.59 -0.58 3.67 0.66 0.00 -0.67 -5.00 105.19 103.85 1hcf n GLY 357 Ca 0.03 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -4.00 6.43 -0.15 1.61 -0.00 -1.26 -0.88 116.67 118.41 1hcf s ASP 358 Ca 0.00 0.51 -0.01 0.00 -0.00 0.00 0.00 52.55 53.05 1hcf s ASP 358 Cb 0.00 -2.23 -0.01 0.00 -0.00 0.00 0.00 42.92 40.68 1hcf s ASP 358 CO 0.00 -0.08 -0.12 -0.31 -0.00 0.00 0.00 175.17 174.66 1hcf s TYR 359 N 1.33 2.83 -0.17 4.23 1.51 0.54 -1.29 117.35 126.34 1hcf s TYR 359 Ca 0.19 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1hcf s TYR 359 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1hcf s TYR 359 CO 0.08 -0.37 -0.11 0.99 -1.11 0.00 0.00 175.55 175.04 1hcf s THR 360 N 0.71 3.04 -0.16 -0.71 2.01 -0.04 -1.23 115.64 119.27 1hcf s THR 360 Ca -0.06 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 1hcf s THR 360 Cb -0.15 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1hcf s THR 360 CO 0.02 0.49 0.14 -0.22 -0.69 0.00 0.00 174.62 174.36 1hcf s LEU 361 N 0.85 4.31 -0.19 4.42 2.96 -0.53 -1.09 118.68 129.42 1hcf s LEU 361 Ca -0.03 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1hcf s LEU 361 Cb -0.15 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.50 1hcf s LEU 361 CO 0.00 0.30 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.67 1hcf s ILE 362 N -0.37 1.03 -0.12 6.68 1.01 -0.36 -2.30 121.20 126.77 1hcf s ILE 362 Ca 0.12 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1hcf s ILE 362 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1hcf s ILE 362 CO 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 174.94 175.03 1hcf s ALA 363 N 1.65 3.67 -0.14 9.38 0.00 -0.76 -2.13 121.76 133.43 1hcf s ALA 363 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1hcf s ALA 363 Cb -0.17 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.15 1hcf s ALA 363 CO -0.07 0.55 0.36 0.21 0.00 0.00 0.00 175.76 176.81 1hcf s LYS 364 N -0.81 0.39 0.23 0.00 2.20 -0.92 -1.51 119.74 119.32 1hcf s LYS 364 Ca 0.13 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1hcf s LYS 364 Cb -0.12 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 1hcf s LYS 364 CO 0.03 -0.10 0.25 0.27 -0.36 0.00 0.00 175.35 175.44 1hcf n ASN 365 N 3.52 -0.66 0.29 1.43 0.23 -0.86 -0.83 115.26 118.37 1hcf n ASN 365 Ca -0.18 -2.44 0.18 0.00 -0.53 0.00 0.00 54.58 51.61 1hcf n ASN 365 Cb 0.56 1.39 0.95 0.00 -2.08 0.00 0.00 39.78 40.60 1hcf n ASN 365 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1hcf h GLU 366 N 0.00 0.00 -0.01 -3.83 4.11 -1.95 -2.66 114.58 110.25 1hcf h GLU 366 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1hcf h GLU 366 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1hcf h GLU 366 CO 0.24 0.00 -0.44 0.66 0.07 0.00 0.00 179.01 179.55 1hcf n TYR 367 N -3.30 0.00 -1.85 2.06 4.02 -1.26 -5.06 117.16 111.77 1hcf n TYR 367 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1hcf n TYR 367 Cb 0.26 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 1.40 -0.11 3.76 2.72 0.00 -1.00 -4.76 105.19 107.19 1hcf n GLY 368 Ca 0.10 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 1.65 0.03 1.61 -2.85 -1.26 -2.03 119.74 114.89 1hcf s LYS 369 Ca 0.00 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 1hcf s LYS 369 Cb 0.00 0.60 -0.01 0.00 -2.06 0.00 0.00 37.83 36.36 1hcf s LYS 369 CO 0.00 -0.75 0.12 0.34 0.10 0.00 0.00 175.35 175.16 1hcf s ASP 370 N -2.88 0.12 -0.01 0.03 2.15 -0.57 -4.78 116.67 110.73 1hcf s ASP 370 Ca 0.09 -0.41 -0.00 0.00 0.43 0.00 0.00 52.55 52.65 1hcf s ASP 370 Cb -0.05 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.81 1hcf s ASP 370 CO 0.02 -0.46 0.02 -1.61 -0.17 0.00 0.00 175.17 172.97 1hcf s GLU 371 N -2.19 -0.01 0.03 4.34 8.01 -1.26 -1.84 118.70 125.78 1hcf s GLU 371 Ca -0.08 0.10 -0.02 0.00 0.01 0.00 0.00 54.97 54.98 1hcf s GLU 371 Cb -0.03 -0.11 -0.02 0.00 -4.31 0.00 0.00 34.13 29.66 1hcf s GLU 371 CO -0.02 -0.08 0.01 0.21 0.01 0.00 0.00 175.26 175.38 1hcf s LYS 372 N 0.49 0.42 0.09 1.61 2.47 -0.97 -5.01 119.74 118.84 1hcf s LYS 372 Ca -0.04 -0.70 0.04 0.00 -1.56 0.00 0.00 55.97 53.70 1hcf s LYS 372 Cb -0.06 0.15 -0.03 0.00 -1.46 0.00 0.00 37.83 36.43 1hcf s LYS 372 CO -0.01 -0.08 -0.10 -1.14 0.16 0.00 0.00 175.35 174.17 1hcf s GLN 373 N -2.01 0.83 0.10 4.03 0.74 -1.26 -1.45 119.66 120.64 1hcf s GLN 373 Ca -0.11 -1.12 -0.12 0.00 0.05 0.00 0.00 55.36 54.06 1hcf s GLN 373 Cb -0.06 -0.55 0.01 0.00 1.10 0.00 0.00 33.01 33.51 1hcf s GLN 373 CO -0.03 0.09 0.28 -1.50 -0.55 0.00 0.00 175.29 173.58 1hcf s ILE 374 N -2.28 0.11 -0.03 -2.34 -1.16 -0.37 -5.01 121.20 110.13 1hcf s ILE 374 Ca 0.04 -0.90 0.02 0.00 -0.51 0.00 0.00 60.65 59.30 1hcf s ILE 374 Cb -0.04 -1.22 -0.03 0.00 0.61 0.00 0.00 42.46 41.78 1hcf s ILE 374 CO 0.00 -0.50 -0.07 -0.44 -2.81 0.00 0.00 174.94 171.13 1hcf s SER 375 N -2.73 4.60 -0.06 4.50 0.01 -1.26 -0.34 113.70 118.42 1hcf s SER 375 Ca 0.03 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1hcf s SER 375 Cb 0.03 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.18 1hcf s SER 375 CO -0.10 0.32 -0.06 0.00 0.41 0.00 0.00 173.24 173.80 1hcf s ALA 376 N -0.90 0.90 -0.21 1.44 0.00 -0.06 -4.72 121.76 118.20 1hcf s ALA 376 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1hcf s ALA 376 Cb -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1hcf s ALA 376 CO 0.05 -0.08 -0.11 -1.58 0.00 0.00 0.00 175.76 174.04 1hcf s HIS 377 N 1.07 2.92 -0.21 0.00 5.04 -1.26 -1.68 115.29 121.18 1hcf s HIS 377 Ca -0.08 -1.38 0.13 0.00 -1.54 0.00 0.00 55.06 52.19 1hcf s HIS 377 Cb -0.14 -2.02 -0.22 0.00 0.04 0.00 0.00 32.58 30.24 1hcf s HIS 377 CO -0.01 -0.70 -0.01 1.19 -2.34 0.00 0.00 174.74 172.88 1hcf n PHE 378 N 4.69 0.00 -3.56 3.88 3.01 -1.26 -4.99 117.46 119.22 1hcf n PHE 378 Ca -0.19 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.21 1hcf n PHE 378 Cb 0.49 -0.96 -0.02 0.00 -0.01 0.00 0.00 39.48 38.99 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 -2.48 0.62 1.06 -1.08 0.23 -1.26 -4.94 119.30 111.45 1hcf s MET 379 Ca -0.16 -0.25 -0.15 0.00 -1.03 0.00 0.00 55.69 54.10 1hcf s MET 379 Cb 0.07 0.27 0.22 0.00 -1.53 0.00 0.00 34.83 33.86 1hcf s MET 379 CO 0.74 -0.27 1.11 0.20 -2.03 0.00 0.00 175.02 174.76 1hcf s GLY 380 N -2.42 1.57 0.36 3.16 0.00 -1.26 -4.25 107.32 104.47 1hcf s GLY 380 Ca 0.08 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1hcf s GLY 380 CO -0.06 0.11 0.54 -0.98 0.00 0.00 0.00 173.10 172.71 1hcf s TRP 381 N -3.03 3.34 0.21 1.90 0.51 -1.26 -4.53 118.94 116.08 1hcf s TRP 381 Ca 0.67 0.16 -0.04 0.00 -2.12 0.00 0.00 56.10 54.78 1hcf s TRP 381 Cb -0.15 -1.99 0.05 0.00 -0.81 0.00 0.00 33.47 30.57 1hcf s TRP 381 CO 0.57 0.00 0.22 -2.30 -0.51 0.00 0.00 176.95 174.92 1hcf n PRO 382 N -1.79 -0.98 0.00 4.98 -0.02 -1.26 -5.15 135.00 130.78 1hcf n PRO 382 Ca -0.03 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 1hcf n PRO 382 Cb 0.57 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 1hcf n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89