#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkf s SER 242 N 0.00 5.82 0.03 4.04 0.01 -1.24 -4.95 113.70 117.41 3hkf s SER 242 Ca 0.00 0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 3hkf s SER 242 Cb 0.00 -1.74 -0.06 0.00 0.21 0.00 0.00 66.02 64.44 3hkf s SER 242 CO 0.00 0.32 0.38 -0.69 0.41 0.00 0.00 173.24 173.66 3hkf s VAL 243 N -1.11 5.11 0.18 3.43 1.01 -1.26 -3.39 120.40 124.36 3hkf s VAL 243 Ca 0.20 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.84 3hkf s VAL 243 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3hkf s VAL 243 CO 0.10 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.13 3hkf s PHE 244 N -1.23 1.69 -0.01 5.22 0.40 -0.38 -4.99 117.98 118.69 3hkf s PHE 244 Ca 0.27 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3hkf s PHE 244 Cb -0.15 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.56 3hkf s PHE 244 CO 0.15 0.32 -0.07 -1.50 0.70 0.00 0.00 175.22 174.82 3hkf s ILE 245 N -2.59 0.57 0.02 0.64 2.07 -1.26 -0.71 121.20 119.94 3hkf s ILE 245 Ca 0.19 -0.29 0.08 0.00 -1.41 0.00 0.00 60.65 59.22 3hkf s ILE 245 Cb -0.03 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3hkf s ILE 245 CO 0.06 0.17 -0.23 -0.36 -1.91 0.00 0.00 174.94 172.67 3hkf s PHE 246 N -0.04 2.08 1.02 3.50 0.08 0.18 -4.98 117.98 119.82 3hkf s PHE 246 Ca 0.01 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 3hkf s PHE 246 Cb -0.04 -1.28 0.20 0.00 -0.57 0.00 0.00 43.02 41.32 3hkf s PHE 246 CO -0.00 0.05 1.08 -1.25 -0.10 0.00 0.00 175.22 175.00 3hkf s PRO 247 N -0.92 0.26 0.60 0.24 0.04 -1.26 -2.35 135.00 131.61 3hkf s PRO 247 Ca 0.09 0.62 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 3hkf s PRO 247 Cb -0.09 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 3hkf s PRO 247 CO 0.01 -2.87 1.03 -1.25 0.04 0.00 0.00 177.00 173.95 3hkf s PRO 248 N -4.86 3.56 0.04 0.56 0.04 -1.25 -4.67 135.00 128.41 3hkf s PRO 248 Ca 0.66 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.26 3hkf s PRO 248 Cb -0.20 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 3hkf s PRO 248 CO 0.59 -0.60 1.94 1.63 0.04 0.00 0.00 177.00 180.59 3hkf n LYS 249 N -2.47 2.78 -0.34 4.56 5.02 -1.26 -4.85 118.16 121.59 3hkf n LYS 249 Ca 0.07 1.02 0.19 0.00 -2.02 0.00 0.00 58.31 57.56 3hkf n LYS 249 Cb 0.54 -2.95 0.40 0.00 -0.02 0.00 0.00 35.03 33.00 3hkf n LYS 249 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hkf h PRO 250 N 10.00 0.50 -0.42 1.97 0.11 -1.92 0.23 132.00 142.46 3hkf h PRO 250 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hkf h PRO 250 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hkf h PRO 250 CO 0.94 0.33 0.27 -0.22 -0.21 0.00 0.00 178.00 179.11 3hkf h LYS 251 N 0.52 0.56 -0.68 1.05 3.64 -1.88 -2.71 116.57 117.06 3hkf h LYS 251 Ca 0.66 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.03 3hkf h LYS 251 Cb 1.32 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3hkf h LYS 251 CO -0.51 0.39 0.43 -0.44 -2.27 0.00 0.00 179.45 177.05 3hkf h ASP 252 N 0.56 0.70 -0.40 4.20 3.32 -0.93 -2.06 116.42 121.82 3hkf h ASP 252 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hkf h ASP 252 Cb -0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3hkf h ASP 252 CO -0.03 0.49 0.26 0.58 -1.72 0.00 0.00 179.24 178.82 3hkf h VAL 253 N 0.84 1.11 -0.00 -1.35 2.07 -1.12 -3.07 116.25 114.72 3hkf h VAL 253 Ca 0.27 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hkf h VAL 253 Cb 0.01 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hkf h VAL 253 CO -0.10 0.11 -0.53 0.18 0.02 0.00 0.00 177.57 177.24 3hkf n LEU 254 N -4.47 0.94 -4.21 2.57 4.77 -0.83 -4.78 117.00 110.99 3hkf n LEU 254 Ca 0.03 -0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 3hkf n LEU 254 Cb 0.06 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3hkf n LEU 254 CO 0.35 0.20 -0.32 -0.89 -1.33 0.00 0.00 177.39 175.40 3hkf s THR 255 N -2.80 3.28 0.41 -5.08 2.01 -0.90 -4.98 115.64 107.58 3hkf s THR 255 Ca 0.15 -1.25 0.24 0.00 0.31 0.00 0.00 61.69 61.14 3hkf s THR 255 Cb 0.18 -2.85 0.43 0.00 0.01 0.00 0.00 72.50 70.26 3hkf s THR 255 CO 0.67 -0.10 1.66 -0.29 -0.69 0.00 0.00 174.62 175.87 3hkf h ILE 256 N 6.32 0.24 -0.00 1.82 6.09 -1.87 0.21 117.51 130.33 3hkf h ILE 256 Ca -0.23 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3hkf h ILE 256 Cb 1.07 0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.39 3hkf h ILE 256 CO 0.56 0.04 -0.17 0.35 -3.07 0.00 0.00 178.15 175.86 3hkf n THR 257 N -4.77 0.00 -2.79 2.19 -2.24 -1.26 -4.85 114.28 100.56 3hkf n THR 257 Ca 0.33 -0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.88 3hkf n THR 257 Cb 1.21 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3hkf n THR 257 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hkf s LEU 258 N -2.97 3.46 -0.47 3.22 1.43 0.72 -5.07 118.68 119.00 3hkf s LEU 258 Ca 0.14 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3hkf s LEU 258 Cb 0.19 -3.12 0.12 0.00 0.03 0.00 0.00 46.19 43.41 3hkf s LEU 258 CO 0.58 -0.90 0.22 -0.89 0.23 0.00 0.00 176.35 175.59 3hkf s THR 259 N -2.69 2.75 0.42 5.49 2.01 -1.26 -4.91 115.64 117.44 3hkf s THR 259 Ca 0.52 -2.85 -0.26 0.00 0.31 0.00 0.00 61.69 59.40 3hkf s THR 259 Cb -0.10 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 3hkf s THR 259 CO 0.39 -0.74 1.44 -2.16 -0.69 0.00 0.00 174.62 172.86 3hkf s PRO 260 N 0.24 3.86 -0.03 4.92 0.04 -1.26 -4.87 135.00 137.90 3hkf s PRO 260 Ca 0.14 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 3hkf s PRO 260 Cb -0.23 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.54 3hkf s PRO 260 CO -0.03 -0.69 0.08 -1.59 0.04 0.00 0.00 177.00 174.81 3hkf s LYS 261 N -2.30 0.15 0.09 4.56 -2.85 -1.26 -1.08 119.74 117.05 3hkf s LYS 261 Ca 0.58 0.02 -0.21 0.00 -1.00 0.00 0.00 55.97 55.36 3hkf s LYS 261 Cb -0.44 0.07 -0.07 0.00 -2.06 0.00 0.00 37.83 35.33 3hkf s LYS 261 CO 0.58 -0.02 0.64 0.08 0.10 0.00 0.00 175.35 176.72 3hkf s VAL 262 N -0.19 4.65 -0.10 1.79 1.01 0.11 -3.94 120.40 123.73 3hkf s VAL 262 Ca -0.03 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.36 3hkf s VAL 262 Cb -0.02 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 3hkf s VAL 262 CO 0.00 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.51 3hkf s THR 263 N -0.99 2.17 -0.09 3.92 2.01 -0.99 -0.35 115.64 121.31 3hkf s THR 263 Ca 0.31 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.35 3hkf s THR 263 Cb -0.20 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3hkf s THR 263 CO 0.21 0.56 -0.14 0.00 -0.69 0.00 0.00 174.62 174.55 3hkf s VAL 265 N -0.17 0.44 -0.51 0.00 1.01 0.12 -1.01 120.40 120.27 3hkf s VAL 265 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3hkf s VAL 265 Cb -0.13 -0.44 0.13 0.00 0.00 0.00 0.00 36.38 35.94 3hkf s VAL 265 CO 0.03 0.17 0.32 -0.69 0.00 0.00 0.00 175.10 174.93 3hkf s VAL 266 N 0.51 3.53 0.53 2.92 1.01 0.27 -1.25 120.40 127.93 3hkf s VAL 266 Ca -0.06 -2.44 -0.01 0.00 0.00 0.00 0.00 61.98 59.47 3hkf s VAL 266 Cb -0.10 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3hkf s VAL 266 CO -0.00 -0.78 0.78 0.68 0.00 0.00 0.00 175.10 175.77 3hkf s VAL 267 N 0.62 3.31 -1.23 2.92 -7.23 -1.22 -1.39 120.40 116.17 3hkf s VAL 267 Ca 0.12 -0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.79 3hkf s VAL 267 Cb -0.22 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3hkf s VAL 267 CO -0.04 -0.20 1.06 0.47 -0.31 0.00 0.00 175.10 176.07 3hkf n ASP 268 N -2.33 -4.20 -4.86 4.85 10.43 -0.22 -3.65 116.55 116.57 3hkf n ASP 268 Ca 0.05 -0.56 -0.33 0.00 2.57 0.00 0.00 54.79 56.52 3hkf n ASP 268 Cb 0.59 -4.91 -0.06 0.00 1.84 0.00 0.00 41.12 38.58 3hkf n ASP 268 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3hkf s ILE 269 N -3.33 4.87 0.07 0.53 2.07 -0.64 -3.67 121.20 121.10 3hkf s ILE 269 Ca 0.29 0.65 -0.24 0.00 -1.41 0.00 0.00 60.65 59.94 3hkf s ILE 269 Cb -0.13 -3.66 -0.06 0.00 0.13 0.00 0.00 42.46 38.74 3hkf s ILE 269 CO 0.70 0.01 0.73 -0.44 -1.91 0.00 0.00 174.94 174.03 3hkf s SER 270 N -2.15 7.21 0.63 4.50 0.01 -1.26 -2.09 113.70 120.54 3hkf s SER 270 Ca 0.45 1.44 0.23 0.00 1.31 0.00 0.00 55.95 59.38 3hkf s SER 270 Cb -0.12 -2.45 1.07 0.00 0.21 0.00 0.00 66.02 64.72 3hkf s SER 270 CO 0.20 0.10 1.56 0.11 0.41 0.00 0.00 173.24 175.62 3hkf h LYS 271 N 5.23 0.00 0.00 12.44 1.57 -1.96 0.80 116.57 134.64 3hkf h LYS 271 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hkf h LYS 271 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hkf h LYS 271 CO 0.69 0.00 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.70 3hkf h ASP 272 N 0.00 0.00 -4.00 0.86 3.45 -2.02 -3.47 116.42 111.23 3hkf h ASP 272 Ca 0.21 -0.02 -0.51 0.00 0.43 0.00 0.00 57.03 57.13 3hkf h ASP 272 Cb 1.73 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 40.57 3hkf h ASP 272 CO -0.00 0.01 0.49 -1.81 -1.57 0.00 0.00 179.24 176.36 3hkf s ASP 273 N -5.52 6.13 0.31 6.45 1.01 0.28 -5.02 116.67 120.31 3hkf s ASP 273 Ca 0.05 2.32 -0.27 0.00 0.71 0.00 0.00 52.55 55.35 3hkf s ASP 273 Cb 0.08 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 3hkf s ASP 273 CO 0.71 -0.94 0.99 -2.16 0.21 0.00 0.00 175.17 173.97 3hkf s PRO 274 N -2.72 4.57 0.03 8.23 0.04 -1.26 -4.93 135.00 138.95 3hkf s PRO 274 Ca 0.64 1.47 -0.38 0.00 0.04 0.00 0.00 61.00 62.77 3hkf s PRO 274 Cb -0.29 -2.90 -0.18 0.00 0.04 0.00 0.00 34.50 31.17 3hkf s PRO 274 CO 0.35 0.24 1.30 0.39 0.04 0.00 0.00 177.00 179.32 3hkf n GLU 275 N 0.72 0.82 -2.58 4.56 -0.58 -1.26 -4.73 120.64 117.59 3hkf n GLU 275 Ca 0.01 0.30 -0.36 0.00 -0.42 0.00 0.00 57.16 56.69 3hkf n GLU 275 Cb 0.49 -1.90 -0.04 0.00 -0.57 0.00 0.00 31.44 29.41 3hkf n GLU 275 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3hkf s VAL 276 N 0.60 3.81 -0.13 2.62 -7.23 -1.26 -4.83 120.40 113.99 3hkf s VAL 276 Ca 0.87 1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 62.33 3hkf s VAL 276 Cb -1.06 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 32.22 3hkf s VAL 276 CO 0.51 -0.07 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.61 3hkf s GLN 277 N -2.69 3.42 0.21 4.82 -0.44 -0.21 -4.98 119.66 119.79 3hkf s GLN 277 Ca 0.60 -0.52 0.05 0.00 -2.50 0.00 0.00 55.36 52.98 3hkf s GLN 277 Cb -0.20 -2.83 -0.03 0.00 -1.64 0.00 0.00 33.01 28.32 3hkf s GLN 277 CO 0.24 0.36 0.29 -0.06 0.50 0.00 0.00 175.29 176.62 3hkf s PHE 278 N 0.03 3.36 -0.20 1.67 0.40 -1.26 -2.06 117.98 119.92 3hkf s PHE 278 Ca 0.00 -0.00 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 3hkf s PHE 278 Cb -0.13 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 41.91 3hkf s PHE 278 CO 0.03 0.48 0.50 0.45 0.70 0.00 0.00 175.22 177.38 3hkf s SER 279 N -3.68 -0.65 0.21 1.36 0.15 -0.24 -4.96 113.70 105.90 3hkf s SER 279 Ca 0.34 1.09 0.11 0.00 0.70 0.00 0.00 55.95 58.19 3hkf s SER 279 Cb -0.09 0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 65.15 3hkf s SER 279 CO 0.28 -0.21 -0.22 0.26 1.20 0.00 0.00 173.24 174.55 3hkf s TRP 280 N 1.40 2.33 -0.12 3.44 0.52 -1.26 0.68 118.94 125.93 3hkf s TRP 280 Ca -0.09 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.58 3hkf s TRP 280 Cb -0.07 -1.12 0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3hkf s TRP 280 CO -0.14 0.55 0.33 -0.06 0.02 0.00 0.00 176.95 177.64 3hkf s PHE 281 N -1.86 -0.37 -0.37 -1.98 0.40 -0.88 -1.06 117.98 111.86 3hkf s PHE 281 Ca 0.23 0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 57.43 3hkf s PHE 281 Cb -0.07 0.13 0.09 0.00 0.51 0.00 0.00 43.02 43.67 3hkf s PHE 281 CO 0.11 -0.19 0.13 0.08 0.70 0.00 0.00 175.22 176.06 3hkf s VAL 282 N 0.32 3.15 -0.76 -0.44 1.01 -0.74 -1.88 120.40 121.06 3hkf s VAL 282 Ca -0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.09 3hkf s VAL 282 Cb -0.03 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3hkf s VAL 282 CO -0.01 -0.50 0.65 0.47 0.00 0.00 0.00 175.10 175.71 3hkf n ASP 283 N 4.58 -3.66 0.00 3.32 8.00 -0.24 -3.30 116.55 125.24 3hkf n ASP 283 Ca -0.05 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3hkf n ASP 283 Cb 0.42 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 3hkf n ASP 283 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hkf n ASP 284 N -2.57 -4.93 -4.17 -2.24 8.00 -1.26 -4.96 116.55 104.43 3hkf n ASP 284 Ca -0.12 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.04 3hkf n ASP 284 Cb 0.60 -3.01 -0.14 0.00 -0.02 0.00 0.00 41.12 38.55 3hkf n ASP 284 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hkf s VAL 285 N -0.84 2.83 0.41 2.53 0.11 -1.21 -5.02 120.40 119.21 3hkf s VAL 285 Ca 0.00 -1.31 -0.23 0.00 -2.93 0.00 0.00 61.98 57.50 3hkf s VAL 285 Cb 0.00 -2.57 -0.12 0.00 -1.53 0.00 0.00 36.38 32.16 3hkf s VAL 285 CO 0.00 -0.00 0.73 1.21 -3.33 0.00 0.00 175.10 173.71 3hkf n GLU 286 N 4.61 0.85 -4.26 1.54 2.13 -1.26 -1.79 120.64 122.46 3hkf n GLU 286 Ca -0.14 0.31 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 3hkf n GLU 286 Cb 0.44 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.35 3hkf n GLU 286 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hkf s VAL 287 N -1.37 1.44 -0.19 6.31 -7.23 -0.22 -4.83 120.40 114.31 3hkf s VAL 287 Ca 0.63 -1.70 0.13 0.00 -1.81 0.00 0.00 61.98 59.24 3hkf s VAL 287 Cb -0.60 -1.55 0.43 0.00 0.56 0.00 0.00 36.38 35.22 3hkf s VAL 287 CO 0.57 -0.34 1.20 1.41 -0.31 0.00 0.00 175.10 177.63 3hkf n HIS 288 N 0.61 0.43 -0.71 2.82 -0.00 -1.26 -4.38 115.22 112.73 3hkf n HIS 288 Ca -0.16 -1.46 0.08 0.00 -0.00 0.00 0.00 57.72 56.18 3hkf n HIS 288 Cb 0.56 -0.25 0.26 0.00 -0.00 0.00 0.00 29.99 30.57 3hkf n HIS 288 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3hkf n THR 289 N -0.78 1.91 -2.70 1.59 -2.24 -1.26 -5.00 114.28 105.80 3hkf n THR 289 Ca 0.20 -1.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.19 3hkf n THR 289 Cb 0.81 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3hkf n THR 289 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkf s ALA 290 N -2.17 3.29 -0.10 6.98 0.00 -1.26 -4.48 121.76 124.03 3hkf s ALA 290 Ca 0.40 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3hkf s ALA 290 Cb 0.29 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.64 3hkf s ALA 290 CO 0.14 -0.12 -0.13 1.14 0.00 0.00 0.00 175.76 176.79 3hkf s GLN 291 N -4.05 1.95 -0.17 0.00 -2.07 -0.44 -4.97 119.66 109.91 3hkf s GLN 291 Ca 0.52 -0.46 -0.05 0.00 -1.82 0.00 0.00 55.36 53.55 3hkf s GLN 291 Cb -0.10 -1.70 -0.03 0.00 -1.09 0.00 0.00 33.01 30.09 3hkf s GLN 291 CO 0.34 -0.08 -0.01 0.95 -1.32 0.00 0.00 175.29 175.17 3hkf s THR 292 N 1.03 4.06 0.81 3.63 -4.23 -1.26 -0.84 115.64 118.84 3hkf s THR 292 Ca -0.07 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3hkf s THR 292 Cb -0.15 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 70.98 3hkf s THR 292 CO -0.01 0.47 1.16 -1.10 -0.54 0.00 0.00 174.62 174.60 3hkf s GLN 293 N 0.50 1.69 0.00 3.99 -1.52 0.15 -4.97 119.66 119.51 3hkf s GLN 293 Ca -0.02 1.55 0.00 0.00 -1.95 0.00 0.00 55.36 54.95 3hkf s GLN 293 Cb -0.14 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 3hkf s GLN 293 CO 0.02 -2.13 0.90 -2.30 -0.25 0.00 0.00 175.29 171.53 3hkf n PRO 294 N -3.51 0.00 0.00 2.91 -0.02 -1.26 -4.57 135.00 128.56 3hkf n PRO 294 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3hkf n PRO 294 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3hkf n PRO 294 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3hkf n ARG 295 N -2.06 0.00 -5.20 -0.52 0.63 -1.26 -4.96 116.66 103.29 3hkf n ARG 295 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 3hkf n ARG 295 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 3hkf n ARG 295 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3hkf s GLU 296 N -0.47 2.84 0.07 -0.14 -1.05 -1.15 -4.98 118.70 113.82 3hkf s GLU 296 Ca 0.00 -0.86 -0.31 0.00 -0.15 0.00 0.00 54.97 53.65 3hkf s GLU 296 Cb 0.00 -2.21 -0.08 0.00 -0.44 0.00 0.00 34.13 31.40 3hkf s GLU 296 CO 0.00 0.22 1.58 -2.00 0.95 0.00 0.00 175.26 176.01 3hkf s GLU 297 N 0.22 4.22 0.00 -4.83 2.12 -1.26 -2.42 118.70 116.76 3hkf s GLU 297 Ca -0.15 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.43 3hkf s GLU 297 Cb -0.17 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.69 3hkf s GLU 297 CO 0.07 -0.67 0.00 0.00 -0.54 0.00 0.00 175.26 174.12 3hkf n GLN 298 N 5.30 1.48 0.23 4.30 10.64 0.16 -4.96 117.38 134.53 3hkf n GLN 298 Ca 0.15 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.43 3hkf n GLN 298 Cb 0.41 0.00 0.46 0.00 -0.86 0.00 0.00 30.24 30.25 3hkf n GLN 298 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 3hkf h PHE 299 N -0.17 0.00 -0.88 2.61 -1.00 -1.95 -3.16 116.94 112.39 3hkf h PHE 299 Ca 0.00 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 3hkf h PHE 299 Cb 0.00 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 39.28 3hkf h PHE 299 CO 0.00 0.20 0.52 0.27 -1.61 0.00 0.00 178.31 177.69 3hkf n ASN 300 N -3.33 4.67 0.00 2.17 0.23 -1.26 -4.92 115.26 112.82 3hkf n ASN 300 Ca 0.00 -3.70 0.00 0.00 -0.53 0.00 0.00 54.58 50.36 3hkf n ASN 300 Cb 0.43 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 3hkf n ASN 300 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hkf n SER 301 N -1.06 0.00 -2.00 0.53 3.41 -1.20 -4.95 113.62 108.35 3hkf n SER 301 Ca 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3hkf n SER 301 Cb 1.26 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3hkf n SER 301 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hkf n THR 302 N -1.72 0.00 -4.52 6.66 -2.24 -1.26 -4.70 114.28 106.49 3hkf n THR 302 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3hkf n THR 302 Cb 0.00 -1.70 -0.08 0.00 -2.10 0.00 0.00 70.33 66.45 3hkf n THR 302 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hkf s PHE 303 N -0.37 1.78 0.03 4.78 0.40 -0.89 0.37 117.98 124.08 3hkf s PHE 303 Ca 0.00 -1.31 -0.03 0.00 -0.60 0.00 0.00 56.93 54.99 3hkf s PHE 303 Cb 0.00 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 3hkf s PHE 303 CO 0.00 -0.31 0.04 -0.98 0.70 0.00 0.00 175.22 174.67 3hkf s ARG 304 N -3.69 0.48 -0.10 0.44 1.70 -1.01 -1.06 118.95 115.71 3hkf s ARG 304 Ca 0.23 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3hkf s ARG 304 Cb 0.02 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3hkf s ARG 304 CO 0.15 -0.10 -0.11 0.45 -1.08 0.00 0.00 175.30 174.60 3hkf s SER 305 N -1.91 2.16 -0.08 -2.89 0.15 -0.49 -2.94 113.70 107.70 3hkf s SER 305 Ca -0.08 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.24 3hkf s SER 305 Cb -0.04 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.33 3hkf s SER 305 CO -0.03 -0.04 -0.12 -0.69 1.20 0.00 0.00 173.24 173.55 3hkf s VAL 306 N 1.25 3.18 -0.05 4.45 1.01 -1.26 -0.56 120.40 128.42 3hkf s VAL 306 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hkf s VAL 306 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3hkf s VAL 306 CO -0.04 0.57 -0.08 -0.55 0.00 0.00 0.00 175.10 174.99 3hkf s SER 307 N -0.34 1.34 -0.10 3.32 0.15 -0.18 0.33 113.70 118.21 3hkf s SER 307 Ca 0.04 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.50 3hkf s SER 307 Cb -0.13 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 3hkf s SER 307 CO 0.02 -0.01 -0.20 -1.61 1.20 0.00 0.00 173.24 172.64 3hkf s GLU 308 N 0.78 3.10 -0.41 5.44 2.02 -0.02 -0.98 118.70 128.65 3hkf s GLU 308 Ca -0.13 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 53.98 3hkf s GLU 308 Cb -0.15 -2.40 0.09 0.00 0.10 0.00 0.00 34.13 31.77 3hkf s GLU 308 CO 0.02 0.22 0.22 -1.17 0.02 0.00 0.00 175.26 174.57 3hkf s LEU 309 N 0.27 5.07 0.28 1.80 2.96 0.53 -1.33 118.68 128.26 3hkf s LEU 309 Ca -0.14 -1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 51.84 3hkf s LEU 309 Cb -0.17 -1.92 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 3hkf s LEU 309 CO 0.07 -0.52 1.29 -2.16 -1.32 0.00 0.00 176.35 173.72 3hkf s PRO 310 N 1.33 4.39 0.29 0.98 0.04 -1.26 -0.71 135.00 140.07 3hkf s PRO 310 Ca 0.03 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.23 3hkf s PRO 310 Cb -0.23 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 3hkf s PRO 310 CO -0.00 -0.17 0.08 0.96 0.04 0.00 0.00 177.00 177.90 3hkf s ILE 311 N -0.72 0.88 0.04 0.56 -4.36 -0.24 -4.92 121.20 112.45 3hkf s ILE 311 Ca 0.51 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.68 3hkf s ILE 311 Cb -0.38 -2.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.55 3hkf s ILE 311 CO 0.47 0.00 0.67 -0.04 0.24 0.00 0.00 174.94 176.27 3hkf s MET 312 N -3.96 4.39 0.21 0.37 -1.94 -1.26 -4.32 119.30 112.78 3hkf s MET 312 Ca 0.37 0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 55.07 3hkf s MET 312 Cb 0.08 -3.32 0.21 0.00 2.01 0.00 0.00 34.83 33.81 3hkf s MET 312 CO 0.15 0.41 1.59 0.45 -0.01 0.00 0.00 175.02 177.60 3hkf h HIS 313 N 5.33 -0.73 -0.70 -0.03 -0.00 -1.93 -1.32 115.15 115.76 3hkf h HIS 313 Ca -0.46 0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.05 3hkf h HIS 313 Cb 1.20 0.43 -0.06 0.00 -0.00 0.00 0.00 27.41 28.99 3hkf h HIS 313 CO 0.66 -0.36 0.40 1.96 -0.00 0.00 0.00 177.93 180.58 3hkf h GLN 314 N -0.08 0.71 -0.73 2.45 7.50 -1.93 -2.27 115.11 120.76 3hkf h GLN 314 Ca 0.30 -0.04 0.10 0.00 0.50 0.00 0.00 58.65 59.50 3hkf h GLN 314 Cb 0.56 -0.16 -0.05 0.00 0.05 0.00 0.00 27.48 27.88 3hkf h GLN 314 CO -0.75 0.47 0.48 -0.44 -1.50 0.00 0.00 178.83 177.09 3hkf h ASP 315 N 0.73 0.55 -0.10 1.46 3.32 -1.64 0.36 116.42 121.10 3hkf h ASP 315 Ca 0.32 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3hkf h ASP 315 Cb 0.20 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hkf h ASP 315 CO -0.19 0.33 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.24 3hkf h TRP 316 N 0.61 0.37 0.00 4.55 2.91 -1.35 -2.16 115.95 120.89 3hkf h TRP 316 Ca 0.33 -0.13 -0.08 0.00 1.13 0.00 0.00 58.89 60.15 3hkf h TRP 316 Cb 0.48 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 3hkf h TRP 316 CO -0.00 0.77 -0.36 -0.07 -1.03 0.00 0.00 178.44 177.75 3hkf h LEU 317 N -0.14 0.00 -0.24 0.65 3.38 -1.11 -2.50 115.31 115.36 3hkf h LEU 317 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hkf h LEU 317 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hkf h LEU 317 CO 0.04 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.52 3hkf n ASN 318 N -4.09 0.35 -0.02 -0.43 5.03 0.12 -4.91 115.26 111.32 3hkf n ASN 318 Ca -0.02 -1.50 -0.00 0.00 0.87 0.00 0.00 54.58 53.93 3hkf n ASN 318 Cb 0.40 -0.02 -0.00 0.00 -1.02 0.00 0.00 39.78 39.14 3hkf n ASN 318 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hkf n GLY 319 N 0.85 0.43 3.69 7.41 0.00 -0.94 -5.03 105.19 111.61 3hkf n GLY 319 Ca 0.14 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3hkf n GLY 319 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hkf n LYS 320 N -2.97 0.41 -3.92 1.61 5.02 -0.82 -4.81 118.16 112.68 3hkf n LYS 320 Ca -0.00 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 3hkf n LYS 320 Cb 0.01 -2.44 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 3hkf n LYS 320 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3hkf s GLU 321 N -3.89 3.59 -0.17 1.97 2.12 -1.26 -4.56 118.70 116.50 3hkf s GLU 321 Ca 0.75 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.89 3hkf s GLU 321 Cb -0.31 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3hkf s GLU 321 CO 0.48 0.63 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.60 3hkf s PHE 322 N -0.60 2.79 -0.11 5.30 0.40 -0.62 -1.08 117.98 124.06 3hkf s PHE 322 Ca 0.12 -1.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.12 3hkf s PHE 322 Cb -0.12 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 3hkf s PHE 322 CO 0.02 -0.66 -0.15 0.21 0.70 0.00 0.00 175.22 175.35 3hkf s LYS 323 N 1.14 3.14 -0.18 0.44 2.20 -0.79 -1.68 119.74 124.00 3hkf s LYS 323 Ca 0.01 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3hkf s LYS 323 Cb -0.14 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3hkf s LYS 323 CO -0.07 0.31 -0.13 0.00 -0.36 0.00 0.00 175.35 175.10 3hkf s ARG 325 N 1.13 2.45 -0.05 0.00 3.52 0.21 -0.46 118.95 125.75 3hkf s ARG 325 Ca 0.01 -1.23 0.04 0.00 -0.13 0.00 0.00 55.73 54.42 3hkf s ARG 325 Cb -0.14 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 3hkf s ARG 325 CO -0.04 -0.56 -0.16 0.08 -0.81 0.00 0.00 175.30 173.81 3hkf s VAL 326 N 1.22 2.85 0.32 7.11 1.01 -0.39 -1.08 120.40 131.45 3hkf s VAL 326 Ca -0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3hkf s VAL 326 Cb -0.19 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3hkf s VAL 326 CO -0.03 0.58 0.33 -3.20 0.00 0.00 0.00 175.10 172.78 3hkf n ASN 327 N 2.50 -0.87 0.00 3.32 5.15 -0.87 -1.03 115.26 123.46 3hkf n ASN 327 Ca -0.17 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 3hkf n ASN 327 Cb 0.52 1.86 0.00 0.00 -0.53 0.00 0.00 39.78 41.63 3hkf n ASN 327 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3hkf n SER 328 N -1.72 0.00 -0.06 1.20 2.88 -1.26 -1.04 113.62 113.62 3hkf n SER 328 Ca 0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 3hkf n SER 328 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 3hkf n SER 328 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkf h ALA 329 N 0.00 0.25 0.00 -1.46 0.00 -1.88 -3.14 119.26 113.03 3hkf h ALA 329 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hkf h ALA 329 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hkf h ALA 329 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3hkf n ALA 330 N -2.42 1.77 -3.86 0.00 0.00 -1.26 -4.55 120.51 110.20 3hkf n ALA 330 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 3hkf n ALA 330 Cb 0.36 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.64 3hkf n ALA 330 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hkf s PHE 331 N -1.92 1.42 0.11 0.00 0.40 -1.19 -5.04 117.98 111.75 3hkf s PHE 331 Ca 0.00 -0.68 -0.34 0.00 -0.60 0.00 0.00 56.93 55.31 3hkf s PHE 331 Cb 0.00 -1.18 -0.14 0.00 0.51 0.00 0.00 43.02 42.21 3hkf s PHE 331 CO 0.00 -0.48 1.56 -1.35 0.70 0.00 0.00 175.22 175.65 3hkf h PRO 332 N 8.07 -0.71 -5.76 0.24 0.11 -1.86 -3.43 132.00 128.66 3hkf h PRO 332 Ca -0.29 0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.33 3hkf h PRO 332 Cb 1.14 0.16 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 3hkf h PRO 332 CO 0.40 -0.48 -0.71 0.00 -0.21 0.00 0.00 178.00 177.01 3hkf s ALA 333 N -5.80 2.49 0.46 -0.75 0.00 -1.26 -5.07 121.76 111.83 3hkf s ALA 333 Ca -0.16 -1.89 -0.20 0.00 0.00 0.00 0.00 51.96 49.70 3hkf s ALA 333 Cb 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.07 3hkf s ALA 333 CO 0.61 0.06 0.99 -1.25 0.00 0.00 0.00 175.76 176.18 3hkf s PRO 334 N -3.64 4.02 -0.05 0.00 0.04 -1.26 -4.94 135.00 129.17 3hkf s PRO 334 Ca 0.29 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 3hkf s PRO 334 Cb 0.01 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3hkf s PRO 334 CO 0.12 -0.23 0.33 0.42 0.04 0.00 0.00 177.00 177.68 3hkf s ILE 335 N -2.10 5.19 -0.08 0.56 1.01 -0.19 -4.94 121.20 120.64 3hkf s ILE 335 Ca 0.64 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.99 3hkf s ILE 335 Cb -0.12 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 3hkf s ILE 335 CO 0.17 0.56 -0.24 -0.70 0.00 0.00 0.00 174.94 174.73 3hkf s GLU 336 N -0.85 2.87 -0.00 2.79 2.12 -1.26 -1.26 118.70 123.10 3hkf s GLU 336 Ca 0.21 -0.89 0.07 0.00 0.36 0.00 0.00 54.97 54.72 3hkf s GLU 336 Cb -0.15 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 3hkf s GLU 336 CO 0.10 0.25 -0.21 0.15 -0.54 0.00 0.00 175.26 175.01 3hkf s LYS 337 N 0.16 1.62 0.06 4.30 -0.14 0.39 -4.97 119.74 121.17 3hkf s LYS 337 Ca -0.14 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 53.75 3hkf s LYS 337 Cb -0.16 -1.60 -0.03 0.00 -1.68 0.00 0.00 37.83 34.36 3hkf s LYS 337 CO 0.07 0.43 -0.16 0.99 -0.76 0.00 0.00 175.35 175.93 3hkf s THR 338 N -0.54 1.25 -0.04 2.17 2.01 -1.26 -0.58 115.64 118.64 3hkf s THR 338 Ca 0.08 -1.17 -0.27 0.00 0.31 0.00 0.00 61.69 60.64 3hkf s THR 338 Cb -0.08 -1.14 0.06 0.00 0.01 0.00 0.00 72.50 71.35 3hkf s THR 338 CO -0.00 -0.04 0.58 -0.51 -0.69 0.00 0.00 174.62 173.96 3hkf s ILE 339 N -1.00 0.02 -0.17 1.82 2.07 -0.68 -4.99 121.20 118.27 3hkf s ILE 339 Ca 0.02 -0.13 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 3hkf s ILE 339 Cb -0.09 -0.91 0.14 0.00 0.13 0.00 0.00 42.46 41.74 3hkf s ILE 339 CO 0.02 -0.07 1.10 -0.94 -1.91 0.00 0.00 174.94 173.14 3hkf s SER 340 N -1.27 -0.25 0.35 4.50 1.04 -1.26 -1.59 113.70 115.21 3hkf s SER 340 Ca -0.11 0.20 -0.24 0.00 0.48 0.00 0.00 55.95 56.28 3hkf s SER 340 Cb -0.01 0.22 -0.15 0.00 0.10 0.00 0.00 66.02 66.19 3hkf s SER 340 CO 0.08 -0.29 0.47 1.17 0.98 0.00 0.00 173.24 175.65 3hkf n LYS 341 N 0.41 0.37 -2.31 4.02 4.81 -1.26 -4.88 118.16 119.33 3hkf n LYS 341 Ca -0.06 0.13 -0.41 0.00 -0.87 0.00 0.00 58.31 57.10 3hkf n LYS 341 Cb 0.59 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.31 3hkf n LYS 341 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hkf s THR 342 N -1.37 3.42 0.02 3.15 2.01 -1.26 -4.95 115.64 116.66 3hkf s THR 342 Ca 0.62 1.18 -0.18 0.00 0.31 0.00 0.00 61.69 63.63 3hkf s THR 342 Cb -0.70 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 3hkf s THR 342 CO 0.59 0.19 0.51 -0.54 -0.69 0.00 0.00 174.62 174.67 3hkf s LYS 343 N -0.20 4.13 0.00 4.92 -0.14 -1.26 -4.83 119.74 122.36 3hkf s LYS 343 Ca 0.54 0.59 0.00 0.00 -1.36 0.00 0.00 55.97 55.75 3hkf s LYS 343 Cb -0.34 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 3hkf s LYS 343 CO 0.37 0.57 0.00 0.41 -0.76 0.00 0.00 175.35 175.95 3hkf n GLY 344 N 2.01 2.58 3.71 -3.33 0.00 -1.26 -5.09 105.19 103.81 3hkf n GLY 344 Ca -0.11 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3hkf n GLY 344 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hkf s ARG 345 N -2.03 4.25 0.64 1.61 3.52 -1.26 -4.90 118.95 120.78 3hkf s ARG 345 Ca 0.00 2.25 -0.17 0.00 -0.13 0.00 0.00 55.73 57.68 3hkf s ARG 345 Cb 0.00 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3hkf s ARG 345 CO 0.00 -0.58 1.18 -2.14 -0.81 0.00 0.00 175.30 172.95 3hkf s PRO 346 N 1.48 2.75 -0.02 5.12 0.02 -1.26 -4.73 135.00 138.37 3hkf s PRO 346 Ca 0.69 1.69 0.04 0.00 0.02 0.00 0.00 61.00 63.43 3hkf s PRO 346 Cb -0.40 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 3hkf s PRO 346 CO 0.31 -1.35 -0.13 0.15 -0.33 0.00 0.00 177.00 175.65 3hkf s LYS 347 N -3.65 1.17 0.21 5.54 1.02 0.11 -4.94 119.74 119.20 3hkf s LYS 347 Ca 0.74 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.97 3hkf s LYS 347 Cb -0.27 -1.10 -0.08 0.00 -0.52 0.00 0.00 37.83 35.86 3hkf s LYS 347 CO 0.37 0.25 0.92 0.00 -0.92 0.00 0.00 175.35 175.98 3hkf s ALA 348 N -0.16 3.33 0.43 5.17 0.00 -1.26 -2.51 121.76 126.76 3hkf s ALA 348 Ca 0.02 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 3hkf s ALA 348 Cb -0.07 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 3hkf s ALA 348 CO 0.00 0.17 0.91 -1.25 0.00 0.00 0.00 175.76 175.59 3hkf s PRO 349 N -0.95 4.09 -0.28 0.00 0.04 -1.26 -4.24 135.00 132.39 3hkf s PRO 349 Ca 0.41 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 3hkf s PRO 349 Cb -0.25 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 3hkf s PRO 349 CO 0.31 -0.06 0.41 -0.65 0.04 0.00 0.00 177.00 177.05 3hkf s GLN 350 N -3.41 3.93 -0.24 4.56 1.11 0.14 -4.90 119.66 120.85 3hkf s GLN 350 Ca 0.59 0.01 -0.06 0.00 0.01 0.00 0.00 55.36 55.91 3hkf s GLN 350 Cb -0.10 -3.69 -0.02 0.00 -1.01 0.00 0.00 33.01 28.20 3hkf s GLN 350 CO 0.20 -0.35 0.04 0.08 0.01 0.00 0.00 175.29 175.26 3hkf s VAL 351 N 2.13 4.05 0.21 1.09 1.01 -1.26 -1.21 120.40 126.43 3hkf s VAL 351 Ca 0.16 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3hkf s VAL 351 Cb -0.16 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3hkf s VAL 351 CO 0.10 0.36 -0.16 -0.31 0.00 0.00 0.00 175.10 175.09 3hkf s TYR 352 N 1.58 1.85 0.16 5.22 2.02 -0.80 -4.99 117.35 122.39 3hkf s TYR 352 Ca 0.06 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.36 3hkf s TYR 352 Cb -0.15 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3hkf s TYR 352 CO 0.02 0.42 -0.23 0.95 -1.57 0.00 0.00 175.55 175.14 3hkf s THR 353 N -2.67 2.13 -0.07 -0.71 -4.23 -1.26 -0.59 115.64 108.23 3hkf s THR 353 Ca 0.22 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3hkf s THR 353 Cb -0.03 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.88 3hkf s THR 353 CO 0.08 -0.10 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.40 3hkf s ILE 354 N -1.54 0.58 0.60 2.99 1.09 0.24 -4.95 121.20 120.21 3hkf s ILE 354 Ca 0.16 -0.04 -0.13 0.00 -1.10 0.00 0.00 60.65 59.54 3hkf s ILE 354 Cb -0.08 -0.67 -0.04 0.00 -1.06 0.00 0.00 42.46 40.61 3hkf s ILE 354 CO 0.08 0.28 1.02 -2.16 -0.10 0.00 0.00 174.94 174.06 3hkf s PRO 355 N 1.61 3.59 0.17 2.79 0.04 -1.26 -0.59 135.00 141.34 3hkf s PRO 355 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 3hkf s PRO 355 Cb -0.13 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 3hkf s PRO 355 CO -0.04 -0.57 0.68 -2.30 0.04 0.00 0.00 177.00 174.81 3hkf n PRO 356 N -2.42 0.14 -1.88 0.56 -0.02 -1.25 -4.86 135.00 125.28 3hkf n PRO 356 Ca 0.07 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 3hkf n PRO 356 Cb 0.54 -1.19 0.05 0.00 -0.02 0.00 0.00 33.50 32.88 3hkf n PRO 356 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hkf s PRO 357 N -0.83 2.85 0.27 0.52 0.02 -1.26 -4.86 135.00 131.72 3hkf s PRO 357 Ca 0.69 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 63.66 3hkf s PRO 357 Cb -0.97 -1.96 0.56 0.00 0.02 0.00 0.00 34.50 32.15 3hkf s PRO 357 CO 0.56 -1.34 1.61 -0.22 -0.33 0.00 0.00 177.00 177.28 3hkf h LYS 358 N 0.87 0.07 0.00 5.54 3.64 -2.03 0.06 116.57 124.72 3hkf h LYS 358 Ca -0.51 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hkf h LYS 358 Cb 1.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3hkf h LYS 358 CO 0.55 0.05 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 3hkf n GLU 359 N -5.41 0.05 -0.01 1.90 4.71 -1.26 -3.16 120.64 117.47 3hkf n GLU 359 Ca 0.17 0.18 0.04 0.00 -0.01 0.00 0.00 57.16 57.54 3hkf n GLU 359 Cb 0.58 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.38 3hkf n GLU 359 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 3hkf n GLN 360 N -1.46 0.65 0.07 3.49 7.27 -0.00 -4.23 117.38 123.19 3hkf n GLN 360 Ca 0.05 -0.04 0.20 0.00 0.07 0.00 0.00 57.00 57.28 3hkf n GLN 360 Cb 0.20 -1.61 0.63 0.00 2.41 0.00 0.00 30.24 31.86 3hkf n GLN 360 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 3hkf h MET 361 N 0.00 0.00 0.00 3.69 2.86 -1.49 0.40 114.93 120.39 3hkf h MET 361 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3hkf h MET 361 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 3hkf h MET 361 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3hkf n ALA 362 N -2.17 1.79 -2.01 6.32 0.00 -1.26 -4.81 120.51 118.37 3hkf n ALA 362 Ca 0.09 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 3hkf n ALA 362 Cb 0.84 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 19.08 3hkf n ALA 362 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hkf s LYS 363 N -2.71 2.50 -0.75 0.00 2.20 0.14 -5.03 119.74 116.10 3hkf s LYS 363 Ca 0.12 -1.31 0.03 0.00 -0.36 0.00 0.00 55.97 54.45 3hkf s LYS 363 Cb 0.10 -2.65 0.34 0.00 -1.51 0.00 0.00 37.83 34.11 3hkf s LYS 363 CO 0.24 -0.64 1.31 -0.25 -0.36 0.00 0.00 175.35 175.65 3hkf n ASP 364 N -2.14 5.64 0.00 1.43 8.00 -1.26 -4.77 116.55 123.45 3hkf n ASP 364 Ca 0.11 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.92 3hkf n ASP 364 Cb 0.60 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3hkf n ASP 364 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hkf n LYS 365 N -0.19 0.00 -3.78 -1.24 4.81 -1.26 -4.29 118.16 112.20 3hkf n LYS 365 Ca 0.38 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.57 3hkf n LYS 365 Cb 0.35 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.38 3hkf n LYS 365 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3hkf n VAL 366 N 0.00 0.00 -3.73 3.15 3.14 -0.76 -4.80 118.33 115.33 3hkf n VAL 366 Ca 0.00 -1.98 -0.14 0.00 -2.96 0.00 0.00 64.34 59.26 3hkf n VAL 366 Cb 0.00 0.06 -0.14 0.00 -1.06 0.00 0.00 33.84 32.70 3hkf n VAL 366 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3hkf s SER 367 N -3.74 -0.03 0.16 6.55 0.01 -1.26 -1.07 113.70 114.32 3hkf s SER 367 Ca 0.20 0.40 -0.08 0.00 1.31 0.00 0.00 55.95 57.78 3hkf s SER 367 Cb -0.02 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 3hkf s SER 367 CO 0.13 -0.17 0.45 -0.76 0.41 0.00 0.00 173.24 173.29 3hkf s LEU 368 N 1.42 4.25 -0.03 2.44 1.02 0.36 -3.84 118.68 124.30 3hkf s LEU 368 Ca -0.07 0.76 0.05 0.00 0.02 0.00 0.00 54.13 54.89 3hkf s LEU 368 Cb -0.11 -3.39 -0.01 0.00 0.02 0.00 0.00 46.19 42.70 3hkf s LEU 368 CO -0.07 0.03 -0.17 -0.89 0.02 0.00 0.00 176.35 175.26 3hkf s THR 369 N -1.67 1.42 -0.21 5.49 2.01 0.24 -0.33 115.64 122.59 3hkf s THR 369 Ca 0.42 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3hkf s THR 369 Cb -0.12 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.18 3hkf s THR 369 CO 0.22 0.41 -0.10 0.00 -0.69 0.00 0.00 174.62 174.46 3hkf s MET 371 N 1.41 2.48 -0.28 0.00 1.75 0.24 -0.72 119.30 124.18 3hkf s MET 371 Ca 0.05 -1.51 -0.09 0.00 -1.25 0.00 0.00 55.69 52.90 3hkf s MET 371 Cb -0.14 -3.69 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 3hkf s MET 371 CO -0.07 -0.95 0.12 0.42 -0.65 0.00 0.00 175.02 173.90 3hkf s ILE 372 N 1.36 4.56 0.32 10.11 1.09 0.32 -1.90 121.20 137.05 3hkf s ILE 372 Ca 0.03 -0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.37 3hkf s ILE 372 Cb -0.23 -3.23 -0.06 0.00 -1.06 0.00 0.00 42.46 37.88 3hkf s ILE 372 CO 0.01 0.20 0.02 0.42 -0.10 0.00 0.00 174.94 175.48 3hkf s THR 373 N 1.63 1.40 -1.51 2.92 -4.23 -0.35 -0.38 115.64 115.12 3hkf s THR 373 Ca 0.06 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3hkf s THR 373 Cb -0.16 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3hkf s THR 373 CO 0.06 -0.09 0.00 0.47 -0.54 0.00 0.00 174.62 174.52 3hkf n ASP 374 N -0.68 -5.00 -4.98 3.99 8.00 -0.82 0.25 116.55 117.32 3hkf n ASP 374 Ca -0.03 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 3hkf n ASP 374 Cb 0.66 -4.22 -0.01 0.00 -0.02 0.00 0.00 41.12 37.53 3hkf n ASP 374 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hkf s PHE 375 N -2.82 3.23 -0.28 1.24 -0.12 -1.04 -4.36 117.98 113.83 3hkf s PHE 375 Ca 0.00 -0.08 -0.20 0.00 -0.05 0.00 0.00 56.93 56.60 3hkf s PHE 375 Cb 0.00 -1.93 0.13 0.00 -0.63 0.00 0.00 43.02 40.59 3hkf s PHE 375 CO 0.00 0.06 0.97 0.12 -0.05 0.00 0.00 175.22 176.32 3hkf s PHE 376 N -2.19 -0.58 0.55 3.49 5.36 -1.05 -0.76 117.98 122.81 3hkf s PHE 376 Ca 0.42 1.26 -0.09 0.00 -0.96 0.00 0.00 56.93 57.56 3hkf s PHE 376 Cb -0.09 0.38 0.13 0.00 -0.34 0.00 0.00 43.02 43.09 3hkf s PHE 376 CO 0.32 -0.28 0.62 -0.35 -1.46 0.00 0.00 175.22 174.06 3hkf n PRO 377 N 3.03 -1.27 0.00 10.12 -0.04 -1.26 0.05 135.00 145.63 3hkf n PRO 377 Ca -0.16 -0.96 0.08 0.00 -0.04 0.00 0.00 63.50 62.42 3hkf n PRO 377 Cb 0.57 -0.74 0.39 0.00 -0.04 0.00 0.00 33.50 33.68 3hkf n PRO 377 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hkf n GLU 378 N -2.74 0.11 -2.18 0.54 -0.00 -1.26 -4.78 120.64 110.32 3hkf n GLU 378 Ca 0.08 0.17 -0.42 0.00 -0.00 0.00 0.00 57.16 56.99 3hkf n GLU 378 Cb 0.29 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.21 3hkf n GLU 378 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hkf s ASP 379 N -2.81 6.79 0.03 -1.84 1.11 -1.26 -4.90 116.67 113.79 3hkf s ASP 379 Ca 0.12 2.02 -0.26 0.00 0.18 0.00 0.00 52.55 54.61 3hkf s ASP 379 Cb 0.11 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.63 3hkf s ASP 379 CO 0.29 -0.85 0.60 -0.51 1.18 0.00 0.00 175.17 175.88 3hkf s ILE 380 N 3.69 0.01 -0.08 0.77 2.07 -1.26 -4.69 121.20 121.71 3hkf s ILE 380 Ca 0.65 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.82 3hkf s ILE 380 Cb -0.29 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.34 3hkf s ILE 380 CO 0.23 -0.06 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.17 3hkf s THR 381 N -2.18 1.38 -0.08 4.00 2.01 -0.99 -4.76 115.64 115.02 3hkf s THR 381 Ca -0.07 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3hkf s THR 381 Cb -0.01 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.28 3hkf s THR 381 CO 0.01 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.55 3hkf s VAL 382 N 0.68 1.11 0.10 3.82 1.01 -1.26 -0.50 120.40 125.37 3hkf s VAL 382 Ca -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hkf s VAL 382 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3hkf s VAL 382 CO 0.04 0.36 0.05 -1.83 0.00 0.00 0.00 175.10 173.71 3hkf s GLU 383 N 0.93 0.82 0.04 2.72 -1.05 -0.48 -4.96 118.70 116.72 3hkf s GLU 383 Ca -0.09 -1.31 0.07 0.00 -0.15 0.00 0.00 54.97 53.48 3hkf s GLU 383 Cb -0.15 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 3hkf s GLU 383 CO 0.00 -0.22 -0.16 -1.58 0.95 0.00 0.00 175.26 174.26 3hkf s TRP 384 N -3.98 2.61 -0.13 4.83 0.52 -1.26 -0.97 118.94 120.55 3hkf s TRP 384 Ca 0.16 -0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.06 3hkf s TRP 384 Cb 0.07 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.93 3hkf s TRP 384 CO -0.04 0.28 -0.12 -0.65 0.02 0.00 0.00 176.95 176.44 3hkf s GLN 385 N -1.47 2.06 -0.52 4.98 -0.21 0.34 -2.74 119.66 122.09 3hkf s GLN 385 Ca 0.15 -0.47 -0.26 0.00 0.02 0.00 0.00 55.36 54.80 3hkf s GLN 385 Cb -0.11 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 32.01 3hkf s GLN 385 CO 0.06 -0.22 1.04 -0.46 -2.12 0.00 0.00 175.29 173.58 3hkf s TRP 386 N 1.48 2.78 0.00 0.91 -0.00 -0.35 -1.07 118.94 122.69 3hkf s TRP 386 Ca 0.03 0.32 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 3hkf s TRP 386 Cb -0.13 -4.22 0.00 0.00 -0.00 0.00 0.00 33.47 29.12 3hkf s TRP 386 CO -0.09 -1.34 0.00 0.09 -0.00 0.00 0.00 176.95 175.61 3hkf n ASN 387 N 7.72 0.00 0.00 5.86 3.02 0.53 -1.33 115.26 131.06 3hkf n ASN 387 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3hkf n ASN 387 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3hkf n ASN 387 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkf n GLY 388 N 0.00 0.04 3.81 7.41 0.00 -1.26 -4.86 105.19 110.33 3hkf n GLY 388 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3hkf n GLY 388 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hkf s GLN 389 N 0.00 2.92 1.14 1.61 2.00 -0.44 -5.05 119.66 121.84 3hkf s GLN 389 Ca 0.00 -0.97 -0.18 0.00 -2.00 0.00 0.00 55.36 52.21 3hkf s GLN 389 Cb 0.00 -2.60 0.14 0.00 0.80 0.00 0.00 33.01 31.34 3hkf s GLN 389 CO 0.00 0.44 0.13 -2.30 -0.50 0.00 0.00 175.29 173.05 3hkf n PRO 390 N -0.82 -1.81 -3.67 1.67 -0.02 -1.26 -1.21 135.00 127.88 3hkf n PRO 390 Ca -0.08 -0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 60.78 3hkf n PRO 390 Cb 0.56 -1.75 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 3hkf n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hkf s ALA 391 N -2.25 -0.89 -1.84 3.55 0.00 -1.11 -4.23 121.76 114.99 3hkf s ALA 391 Ca 0.57 1.28 0.18 0.00 0.00 0.00 0.00 51.96 53.99 3hkf s ALA 391 Cb -0.13 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 21.94 3hkf s ALA 391 CO 0.66 -0.58 0.97 -0.85 0.00 0.00 0.00 175.76 175.95 3hkf n GLU 392 N 5.07 1.58 -2.14 0.00 0.28 -1.26 -4.60 120.64 119.57 3hkf n GLU 392 Ca -0.12 -1.12 -0.40 0.00 -0.16 0.00 0.00 57.16 55.36 3hkf n GLU 392 Cb 0.51 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.05 3hkf n GLU 392 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3hkf n ASN 393 N 0.31 7.62 -3.78 -1.84 5.15 -1.26 -4.91 115.26 116.55 3hkf n ASN 393 Ca 0.08 -3.22 -0.11 0.00 -0.60 0.00 0.00 54.58 50.73 3hkf n ASN 393 Cb 0.40 -1.34 -0.07 0.00 -0.53 0.00 0.00 39.78 38.23 3hkf n ASN 393 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3hkf s TYR 394 N -1.50 -0.03 -0.03 1.20 1.13 -1.26 -2.81 117.35 114.05 3hkf s TYR 394 Ca 0.50 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.97 3hkf s TYR 394 Cb 0.17 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 3hkf s TYR 394 CO -0.08 -0.53 -0.05 0.15 -2.51 0.00 0.00 175.55 172.53 3hkf s LYS 395 N -3.02 0.70 -0.12 -3.49 -0.14 -0.56 -4.97 119.74 108.14 3hkf s LYS 395 Ca -0.02 -0.15 -0.03 0.00 -1.36 0.00 0.00 55.97 54.41 3hkf s LYS 395 Cb 0.01 -0.70 -0.03 0.00 -1.68 0.00 0.00 37.83 35.42 3hkf s LYS 395 CO -0.06 0.00 0.01 -0.80 -0.76 0.00 0.00 175.35 173.74 3hkf s ASN 396 N 0.52 5.26 0.48 2.83 0.02 -1.26 -0.29 114.94 122.49 3hkf s ASN 396 Ca -0.07 0.09 -0.17 0.00 -1.02 0.00 0.00 52.86 51.70 3hkf s ASN 396 Cb -0.10 -1.65 -0.08 0.00 0.02 0.00 0.00 41.25 39.44 3hkf s ASN 396 CO 0.00 0.30 0.94 0.42 0.02 0.00 0.00 177.10 178.78 3hkf s THR 397 N -0.40 4.54 0.38 1.60 -4.23 -0.36 -5.00 115.64 112.17 3hkf s THR 397 Ca 0.08 1.19 -0.27 0.00 -1.18 0.00 0.00 61.69 61.51 3hkf s THR 397 Cb -0.12 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 3hkf s THR 397 CO 0.02 -0.57 1.35 -1.10 -0.54 0.00 0.00 174.62 173.78 3hkf s GLN 398 N -3.82 4.07 0.42 3.99 -1.52 -1.26 -4.54 119.66 117.00 3hkf s GLN 398 Ca 0.58 2.28 -0.26 0.00 -1.95 0.00 0.00 55.36 56.01 3hkf s GLN 398 Cb -0.10 -2.87 -0.10 0.00 -0.22 0.00 0.00 33.01 29.72 3hkf s GLN 398 CO 0.27 -0.45 1.32 -2.30 -0.25 0.00 0.00 175.29 173.88 3hkf n PRO 399 N 0.34 2.04 -4.77 2.91 -0.02 -1.26 -4.87 135.00 129.37 3hkf n PRO 399 Ca 0.02 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 3hkf n PRO 399 Cb 0.42 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 3hkf n PRO 399 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkf s ILE 400 N -1.19 1.78 -0.22 4.25 -1.09 -0.49 -4.92 121.20 119.33 3hkf s ILE 400 Ca 0.60 -1.20 -0.24 0.00 -2.23 0.00 0.00 60.65 57.59 3hkf s ILE 400 Cb -0.50 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3hkf s ILE 400 CO 0.58 0.29 0.78 -0.32 -1.23 0.00 0.00 174.94 175.04 3hkf s MET 401 N -1.08 4.21 1.06 2.79 -2.45 -1.26 -0.96 119.30 121.61 3hkf s MET 401 Ca 0.09 0.88 -0.17 0.00 -1.25 0.00 0.00 55.69 55.23 3hkf s MET 401 Cb -0.09 -3.62 0.23 0.00 1.25 0.00 0.00 34.83 32.61 3hkf s MET 401 CO 0.01 -0.41 1.23 -0.51 1.05 0.00 0.00 175.02 176.40 3hkf s ASP 402 N 1.28 2.23 0.21 1.11 1.01 0.68 -4.94 116.67 118.26 3hkf s ASP 402 Ca 0.34 0.42 -0.09 0.00 0.71 0.00 0.00 52.55 53.93 3hkf s ASP 402 Cb -0.16 -0.55 0.26 0.00 1.01 0.00 0.00 42.92 43.48 3hkf s ASP 402 CO 0.09 -3.29 1.78 0.71 0.21 0.00 0.00 175.17 174.67 3hkf h THR 403 N -2.02 0.89 0.00 -1.27 1.35 -1.97 -2.89 112.91 107.01 3hkf h THR 403 Ca -0.45 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3hkf h THR 403 Cb 1.26 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3hkf h THR 403 CO 0.37 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 174.84 3hkf n ASP 404 N -4.86 0.00 0.00 5.36 3.85 -1.26 -4.85 116.55 114.79 3hkf n ASP 404 Ca 0.09 -0.88 0.00 0.00 -0.71 0.00 0.00 54.79 53.28 3hkf n ASP 404 Cb 0.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 3hkf n ASP 404 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hkf n GLY 405 N 0.09 2.29 2.74 6.12 0.00 -1.09 -5.05 105.19 110.29 3hkf n GLY 405 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3hkf n GLY 405 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hkf n SER 406 N 0.00 0.56 -4.31 1.61 3.41 -1.26 -4.83 113.62 108.80 3hkf n SER 406 Ca 0.00 -1.60 -0.17 0.00 -0.26 0.00 0.00 58.87 56.85 3hkf n SER 406 Cb 0.00 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 3hkf n SER 406 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hkf s TYR 407 N -2.54 1.51 0.09 7.33 1.51 0.06 -0.23 117.35 125.07 3hkf s TYR 407 Ca 0.50 -0.83 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3hkf s TYR 407 Cb -0.02 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3hkf s TYR 407 CO 0.34 0.05 0.01 -0.59 -1.11 0.00 0.00 175.55 174.25 3hkf s PHE 408 N -3.33 0.69 -0.06 2.71 -0.12 -0.14 -1.94 117.98 115.80 3hkf s PHE 408 Ca 0.24 -1.14 -0.24 0.00 -0.05 0.00 0.00 56.93 55.75 3hkf s PHE 408 Cb 0.04 -0.44 0.05 0.00 -0.63 0.00 0.00 43.02 42.04 3hkf s PHE 408 CO 0.06 -0.43 0.53 0.08 -0.05 0.00 0.00 175.22 175.41 3hkf s VAL 409 N -3.96 0.02 -0.01 -2.49 1.01 0.48 -1.39 120.40 114.07 3hkf s VAL 409 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3hkf s VAL 409 Cb 0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3hkf s VAL 409 CO -0.04 -0.10 -0.22 -0.31 0.00 0.00 0.00 175.10 174.42 3hkf s TYR 410 N -1.06 2.00 -0.09 5.22 1.51 -1.26 -0.53 117.35 123.15 3hkf s TYR 410 Ca -0.11 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3hkf s TYR 410 Cb -0.02 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 3hkf s TYR 410 CO 0.07 -0.01 -0.20 0.45 -1.11 0.00 0.00 175.55 174.75 3hkf s SER 411 N -0.65 2.64 -0.24 2.29 0.15 0.10 -1.22 113.70 116.77 3hkf s SER 411 Ca 0.09 -0.47 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 3hkf s SER 411 Cb -0.09 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.05 3hkf s SER 411 CO -0.00 0.12 -0.05 -0.75 1.20 0.00 0.00 173.24 173.76 3hkf s LYS 412 N 0.42 3.04 -0.24 5.44 2.20 0.61 -1.12 119.74 130.09 3hkf s LYS 412 Ca -0.17 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.52 3hkf s LYS 412 Cb -0.17 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 3hkf s LYS 412 CO 0.07 -0.33 0.07 -1.17 -0.36 0.00 0.00 175.35 173.63 3hkf s LEU 413 N 1.39 3.53 0.11 5.43 2.96 0.55 -1.50 118.68 131.15 3hkf s LEU 413 Ca 0.02 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 3hkf s LEU 413 Cb -0.16 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 3hkf s LEU 413 CO -0.04 0.00 0.38 0.20 -1.32 0.00 0.00 176.35 175.58 3hkf s ASN 414 N 1.39 6.56 -0.19 3.68 0.01 -1.12 0.14 114.94 125.41 3hkf s ASN 414 Ca 0.05 0.68 -0.05 0.00 -0.71 0.00 0.00 52.86 52.84 3hkf s ASN 414 Cb -0.15 -2.13 0.09 0.00 0.41 0.00 0.00 41.25 39.47 3hkf s ASN 414 CO 0.04 0.11 0.32 0.68 -1.51 0.00 0.00 177.10 176.74 3hkf s VAL 415 N -1.53 -0.50 -0.20 1.60 -7.23 -0.23 -4.92 120.40 107.37 3hkf s VAL 415 Ca 0.37 0.10 -0.33 0.00 -1.81 0.00 0.00 61.98 60.31 3hkf s VAL 415 Cb -0.13 -0.63 -0.10 0.00 0.56 0.00 0.00 36.38 36.08 3hkf s VAL 415 CO 0.21 -0.01 2.08 0.00 -0.31 0.00 0.00 175.10 177.07 3hkf n GLN 416 N 5.36 1.80 0.00 4.82 10.64 -1.26 -1.84 117.38 136.90 3hkf n GLN 416 Ca -0.06 0.58 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 3hkf n GLN 416 Cb 0.50 -2.77 0.00 0.00 -0.86 0.00 0.00 30.24 27.11 3hkf n GLN 416 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3hkf n LYS 417 N 7.76 0.00 0.00 2.61 3.00 -1.26 -4.17 118.16 126.10 3hkf n LYS 417 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3hkf n LYS 417 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 3hkf n LYS 417 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3hkf n SER 418 N 0.00 0.00 0.00 3.14 7.64 -1.26 -3.47 113.62 119.67 3hkf n SER 418 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hkf n SER 418 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hkf n SER 418 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hkf n ASN 419 N 0.98 0.00 0.00 6.43 5.03 -1.25 -3.27 115.26 123.18 3hkf n ASN 419 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3hkf n ASN 419 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3hkf n ASN 419 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3hkf n TRP 420 N -0.49 0.00 -0.07 3.10 -0.00 -1.23 -1.25 117.44 117.50 3hkf n TRP 420 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 3hkf n TRP 420 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 3hkf n TRP 420 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3hkf h GLU 421 N 0.00 0.44 -3.54 5.87 4.57 -1.89 -3.37 114.58 116.65 3hkf h GLU 421 Ca 0.00 -0.22 -0.70 0.00 -1.18 0.00 0.00 59.36 57.27 3hkf h GLU 421 Cb 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 28.75 28.24 3hkf h GLU 421 CO 0.00 0.77 -0.36 0.00 -1.18 0.00 0.00 179.01 178.25 3hkf s ALA 422 N -4.41 3.61 0.00 2.92 0.00 -1.03 -5.03 121.76 117.81 3hkf s ALA 422 Ca -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 48.52 3hkf s ALA 422 Cb 0.06 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3hkf s ALA 422 CO 0.77 -2.12 0.00 0.41 0.00 0.00 0.00 175.76 174.82 3hkf n GLY 423 N 3.40 -0.88 3.71 0.00 0.00 -0.38 -3.85 105.19 107.18 3hkf n GLY 423 Ca 0.09 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3hkf n GLY 423 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkf s ASN 424 N -4.00 3.77 0.32 1.61 -0.87 -1.26 -4.95 114.94 109.56 3hkf s ASN 424 Ca 0.00 2.28 -0.23 0.00 -1.57 0.00 0.00 52.86 53.34 3hkf s ASN 424 Cb 0.00 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.55 3hkf s ASN 424 CO 0.00 -2.54 0.89 -0.89 -2.57 0.00 0.00 177.10 171.99 3hkf s THR 425 N -2.24 4.34 -0.13 1.60 2.01 -1.26 -4.80 115.64 115.16 3hkf s THR 425 Ca 0.71 1.60 0.02 0.00 0.31 0.00 0.00 61.69 64.33 3hkf s THR 425 Cb -0.27 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3hkf s THR 425 CO 0.50 0.04 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.93 3hkf s PHE 426 N -1.73 2.70 -0.04 4.92 0.40 -0.09 0.20 117.98 124.35 3hkf s PHE 426 Ca 0.51 -1.00 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3hkf s PHE 426 Cb -0.16 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3hkf s PHE 426 CO 0.21 -0.42 -0.21 0.99 0.70 0.00 0.00 175.22 176.49 3hkf s THR 427 N 0.57 1.68 -0.44 0.64 2.01 -0.23 0.19 115.64 120.05 3hkf s THR 427 Ca -0.11 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 3hkf s THR 427 Cb -0.16 -1.42 0.07 0.00 0.01 0.00 0.00 72.50 70.99 3hkf s THR 427 CO 0.04 0.48 0.33 0.00 -0.69 0.00 0.00 174.62 174.78 3hkf s SER 429 N 2.30 6.19 -0.04 0.00 0.15 -0.14 -2.44 113.70 119.71 3hkf s SER 429 Ca 0.04 0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.96 3hkf s SER 429 Cb -0.23 -2.18 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3hkf s SER 429 CO 0.06 -0.14 -0.24 -0.69 1.20 0.00 0.00 173.24 173.42 3hkf s VAL 430 N 1.95 1.96 -0.13 4.45 1.01 -0.62 -1.38 120.40 127.63 3hkf s VAL 430 Ca 0.13 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3hkf s VAL 430 Cb -0.16 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3hkf s VAL 430 CO 0.10 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 174.79 3hkf s LEU 431 N -0.33 2.29 -0.11 3.92 1.02 0.35 -1.83 118.68 123.99 3hkf s LEU 431 Ca 0.02 -0.51 -0.20 0.00 0.02 0.00 0.00 54.13 53.45 3hkf s LEU 431 Cb -0.12 -1.49 0.05 0.00 0.02 0.00 0.00 46.19 44.65 3hkf s LEU 431 CO 0.02 0.12 0.50 -2.28 0.02 0.00 0.00 176.35 174.73 3hkf s HIS 432 N 0.59 -0.49 0.63 0.29 2.46 -0.59 -2.35 115.29 115.83 3hkf s HIS 432 Ca -0.11 1.03 0.39 0.00 0.47 0.00 0.00 55.06 56.83 3hkf s HIS 432 Cb -0.16 0.22 2.17 0.00 -0.13 0.00 0.00 32.58 34.68 3hkf s HIS 432 CO 0.03 -0.39 2.32 1.49 -2.47 0.00 0.00 174.74 175.73 3hkf h GLU 433 N 4.37 0.00 -0.00 2.88 4.81 -1.84 -2.32 114.58 122.49 3hkf h GLU 433 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3hkf h GLU 433 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3hkf h GLU 433 CO 0.29 0.00 -0.30 0.41 -0.73 0.00 0.00 179.01 178.68 3hkf n GLY 434 N -1.15 -1.21 3.87 1.92 0.00 -1.26 -4.83 105.19 102.54 3hkf n GLY 434 Ca -0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3hkf n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkf s LEU 435 N -2.88 3.49 0.26 0.99 1.43 -0.87 -4.11 118.68 116.99 3hkf s LEU 435 Ca 0.15 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.25 3hkf s LEU 435 Cb 0.18 -4.27 -0.10 0.00 0.03 0.00 0.00 46.19 42.04 3hkf s LEU 435 CO 0.61 -0.68 1.30 -2.28 0.23 0.00 0.00 176.35 175.54 3hkf s HIS 436 N -2.85 3.19 -0.28 0.29 5.65 -1.26 -0.93 115.29 119.09 3hkf s HIS 436 Ca 0.53 1.32 0.00 0.00 0.25 0.00 0.00 55.06 57.17 3hkf s HIS 436 Cb -0.11 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 3hkf s HIS 436 CO 0.44 -1.82 0.00 0.09 -0.65 0.00 0.00 174.74 172.80 3hkf n ASN 437 N 1.75 -5.75 0.00 9.88 3.02 -1.26 -2.69 115.26 120.21 3hkf n ASN 437 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3hkf n ASN 437 Cb 0.42 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 3hkf n ASN 437 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3hkf n HIS 438 N -1.99 0.00 -3.70 3.10 8.25 -0.11 -4.88 115.22 115.89 3hkf n HIS 438 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3hkf n HIS 438 Cb 0.51 -1.75 -0.05 0.00 1.12 0.00 0.00 29.99 29.81 3hkf n HIS 438 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hkf s HIS 439 N -0.96 -0.10 0.08 4.41 5.65 -1.10 -1.54 115.29 121.73 3hkf s HIS 439 Ca 0.00 -0.24 -0.26 0.00 0.25 0.00 0.00 55.06 54.81 3hkf s HIS 439 Cb 0.00 0.18 0.08 0.00 -1.18 0.00 0.00 32.58 31.66 3hkf s HIS 439 CO 0.00 -0.67 0.66 -0.08 -0.65 0.00 0.00 174.74 174.00 3hkf s THR 440 N -3.82 0.00 0.01 0.89 -1.32 -0.76 -4.68 115.64 105.96 3hkf s THR 440 Ca 0.04 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.54 3hkf s THR 440 Cb 0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3hkf s THR 440 CO -0.11 0.00 -0.06 -1.61 -2.21 0.00 0.00 174.62 170.63 3hkf s GLU 441 N -2.99 0.43 -0.02 7.08 2.02 -1.26 -1.60 118.70 122.36 3hkf s GLU 441 Ca -0.02 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3hkf s GLU 441 Cb -0.01 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 33.92 3hkf s GLU 441 CO -0.07 0.08 -0.00 0.15 0.02 0.00 0.00 175.26 175.44 3hkf s LYS 442 N -0.67 0.21 0.20 1.61 -0.14 -1.02 -4.98 119.74 114.94 3hkf s LYS 442 Ca -0.03 0.05 0.09 0.00 -1.36 0.00 0.00 55.97 54.73 3hkf s LYS 442 Cb -0.05 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.69 3hkf s LYS 442 CO -0.00 -0.09 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.20 3hkf s SER 443 N 0.75 2.86 0.08 2.83 0.01 -1.26 0.67 113.70 119.64 3hkf s SER 443 Ca -0.07 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.30 3hkf s SER 443 Cb -0.10 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 3hkf s SER 443 CO -0.01 -0.04 -0.11 -0.76 0.41 0.00 0.00 173.24 172.72 3hkf s LEU 444 N -2.96 2.33 0.00 2.44 1.43 0.51 -4.96 118.68 117.47 3hkf s LEU 444 Ca 0.20 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3hkf s LEU 444 Cb -0.05 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.82 3hkf s LEU 444 CO 0.08 -0.18 0.00 -1.20 0.23 0.00 0.00 176.35 175.28