#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfa s SER 229 N 0.00 0.29 0.46 1.61 0.01 -1.26 -5.06 113.70 109.75 3kfa s SER 229 Ca 0.00 -1.28 0.14 0.00 1.31 0.00 0.00 55.95 56.12 3kfa s SER 229 Cb 0.00 0.32 1.05 0.00 0.21 0.00 0.00 66.02 67.60 3kfa s SER 229 CO 0.00 -0.76 2.04 -0.65 0.41 0.00 0.00 173.24 174.27 3kfa h PRO 230 N 2.77 0.08 -0.47 12.44 0.11 -2.12 -1.95 132.00 142.86 3kfa h PRO 230 Ca -0.35 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 3kfa h PRO 230 Cb 1.22 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3kfa h PRO 230 CO 0.57 0.17 0.06 0.09 -0.21 0.00 0.00 178.00 178.68 3kfa n ASN 231 N -4.40 4.52 -4.75 -2.05 5.03 -1.26 -4.99 115.26 107.36 3kfa n ASN 231 Ca -0.02 -3.11 -0.41 0.00 0.87 0.00 0.00 54.58 51.91 3kfa n ASN 231 Cb 0.18 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.28 3kfa n ASN 231 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kfa s TYR 232 N -2.89 2.98 -0.05 3.10 5.04 -0.74 -5.02 117.35 119.78 3kfa s TYR 232 Ca 0.49 1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 56.19 3kfa s TYR 232 Cb 0.39 -3.82 0.03 0.00 0.35 0.00 0.00 41.96 38.91 3kfa s TYR 232 CO 0.11 -2.60 0.04 0.34 -1.34 0.00 0.00 175.55 172.11 3kfa s ASP 233 N 0.19 1.17 0.58 4.32 3.68 -1.26 -4.93 116.67 120.42 3kfa s ASP 233 Ca 0.57 0.04 0.33 0.00 2.13 0.00 0.00 52.55 55.63 3kfa s ASP 233 Cb -0.42 -0.20 1.81 0.00 -1.45 0.00 0.00 42.92 42.66 3kfa s ASP 233 CO 0.46 -0.23 2.20 0.07 0.13 0.00 0.00 175.17 177.80 3kfa h LYS 234 N 8.33 0.00 0.00 4.34 2.10 -2.03 -2.38 116.57 126.93 3kfa h LYS 234 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3kfa h LYS 234 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3kfa h LYS 234 CO 0.20 0.04 -1.26 0.91 -2.00 0.00 0.00 179.45 177.34 3kfa n TRP 235 N -3.49 0.41 -2.64 0.07 7.02 -1.26 -4.95 117.44 112.60 3kfa n TRP 235 Ca -0.02 0.12 -0.41 0.00 -1.02 0.00 0.00 57.50 56.17 3kfa n TRP 235 Cb 0.16 -0.61 -0.05 0.00 -2.42 0.00 0.00 31.31 28.39 3kfa n TRP 235 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3kfa s GLU 236 N -3.33 4.69 0.27 -0.99 0.41 -0.90 -1.09 118.70 117.77 3kfa s GLU 236 Ca -0.00 1.58 0.10 0.00 -0.41 0.00 0.00 54.97 56.24 3kfa s GLU 236 Cb 0.13 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 29.12 3kfa s GLU 236 CO 0.83 0.23 -0.16 -1.64 -0.49 0.00 0.00 175.26 174.03 3kfa s MET 237 N -0.51 1.62 0.19 1.61 -1.94 0.42 -4.88 119.30 115.81 3kfa s MET 237 Ca 0.46 -1.76 -0.29 0.00 -1.71 0.00 0.00 55.69 52.39 3kfa s MET 237 Cb -0.27 -1.58 -0.08 0.00 2.01 0.00 0.00 34.83 34.91 3kfa s MET 237 CO 0.33 0.25 0.91 -1.21 -0.01 0.00 0.00 175.02 175.29 3kfa s GLU 238 N -3.57 4.76 0.38 2.03 0.41 -1.26 -4.56 118.70 116.90 3kfa s GLU 238 Ca 0.29 1.41 0.08 0.00 -0.41 0.00 0.00 54.97 56.33 3kfa s GLU 238 Cb -0.02 -3.30 0.81 0.00 -1.78 0.00 0.00 34.13 29.83 3kfa s GLU 238 CO 0.13 0.45 1.97 0.00 -0.49 0.00 0.00 175.26 177.33 3kfa h ARG 239 N 4.57 0.65 0.00 1.61 3.08 -1.96 -0.13 114.38 122.20 3kfa h ARG 239 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3kfa h ARG 239 Cb 1.20 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kfa h ARG 239 CO 0.69 0.43 0.00 0.25 -1.07 0.00 0.00 179.97 180.26 3kfa n THR 240 N -4.48 1.28 0.30 2.04 -2.24 -1.26 -1.64 114.28 108.29 3kfa n THR 240 Ca 0.10 0.33 0.18 0.00 -2.27 0.00 0.00 64.05 62.38 3kfa n THR 240 Cb 0.24 -1.17 0.81 0.00 -2.10 0.00 0.00 70.33 68.11 3kfa n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kfa h ASP 241 N 0.00 0.00 -3.28 3.42 3.32 -1.40 -3.43 116.42 115.04 3kfa h ASP 241 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3kfa h ASP 241 Cb 0.18 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.42 3kfa h ASP 241 CO 0.00 0.00 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.07 3kfa s ILE 242 N -3.75 2.52 -0.20 0.35 -1.09 -0.65 -1.48 121.20 116.90 3kfa s ILE 242 Ca -0.01 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.30 3kfa s ILE 242 Cb 0.10 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 3kfa s ILE 242 CO 0.45 0.53 1.00 -0.89 -1.23 0.00 0.00 174.94 174.81 3kfa s THR 243 N 0.68 4.73 -0.06 2.92 2.01 0.06 -4.90 115.64 121.09 3kfa s THR 243 Ca -0.08 1.98 -0.19 0.00 0.31 0.00 0.00 61.69 63.70 3kfa s THR 243 Cb -0.16 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 3kfa s THR 243 CO 0.02 -0.11 0.54 -0.04 -0.69 0.00 0.00 174.62 174.33 3kfa s MET 244 N 2.80 4.30 0.00 4.92 -1.94 -1.26 -0.95 119.30 127.17 3kfa s MET 244 Ca 0.44 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.02 3kfa s MET 244 Cb -0.16 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.30 3kfa s MET 244 CO 0.10 0.29 0.00 1.63 -0.01 0.00 0.00 175.02 177.02 3kfa n LYS 245 N 3.11 2.73 -2.45 2.03 5.02 0.84 -4.98 118.16 124.46 3kfa n LYS 245 Ca -0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 3kfa n LYS 245 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 3kfa n LYS 245 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3kfa s HIS 246 N 4.16 3.48 0.25 2.13 -3.43 -1.26 -4.65 115.29 115.97 3kfa s HIS 246 Ca 0.00 0.83 -0.30 0.00 -0.80 0.00 0.00 55.06 54.79 3kfa s HIS 246 Cb 0.00 -2.50 -0.09 0.00 -1.43 0.00 0.00 32.58 28.56 3kfa s HIS 246 CO 0.00 -0.51 1.17 0.21 -2.00 0.00 0.00 174.74 173.61 3kfa s LYS 247 N -4.89 4.54 0.01 -0.38 2.20 -1.26 -0.97 119.74 118.99 3kfa s LYS 247 Ca 0.50 1.89 -0.01 0.00 -0.36 0.00 0.00 55.97 57.99 3kfa s LYS 247 Cb -0.10 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3kfa s LYS 247 CO 0.46 0.03 0.16 -0.51 -0.36 0.00 0.00 175.35 175.14 3kfa s LEU 248 N -0.98 4.24 0.00 5.43 1.43 0.68 -4.55 118.68 124.93 3kfa s LEU 248 Ca 0.49 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3kfa s LEU 248 Cb -0.33 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3kfa s LEU 248 CO 0.41 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.84 3kfa n GLY 249 N 0.83 1.06 2.31 -3.19 0.00 -1.26 -4.21 105.19 100.73 3kfa n GLY 249 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3kfa n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfa n GLY 250 N -2.00 1.17 1.48 -0.02 0.00 -1.26 -2.09 105.19 102.47 3kfa n GLY 250 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3kfa n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfa n GLY 251 N -1.62 3.05 0.26 -0.02 0.00 -1.26 -4.84 105.19 100.77 3kfa n GLY 251 Ca -0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.08 3kfa n GLY 251 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kfa h GLN 252 N 1.08 0.00 -0.29 1.61 1.08 -1.67 -2.11 115.11 114.80 3kfa h GLN 252 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kfa h GLN 252 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kfa h GLN 252 CO 0.00 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.54 3kfa n TYR 253 N -2.84 0.63 -4.17 2.96 4.02 -1.24 -3.74 117.16 112.78 3kfa n TYR 253 Ca -0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 3kfa n TYR 253 Cb 0.19 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3kfa n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kfa n GLY 254 N 0.04 -0.47 2.79 2.72 0.00 -0.80 -4.37 105.19 105.11 3kfa n GLY 254 Ca 0.15 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3kfa n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kfa n GLU 255 N 0.00 3.64 -5.20 1.61 -0.58 -1.26 -4.53 120.64 114.32 3kfa n GLU 255 Ca 0.00 -3.39 -0.32 0.00 -0.42 0.00 0.00 57.16 53.03 3kfa n GLU 255 Cb 0.00 -2.93 -0.16 0.00 -0.57 0.00 0.00 31.44 27.78 3kfa n GLU 255 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kfa s VAL 256 N 0.55 2.18 0.06 2.62 1.01 -1.26 -1.20 120.40 124.35 3kfa s VAL 256 Ca 0.42 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3kfa s VAL 256 Cb 0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3kfa s VAL 256 CO -0.02 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.20 3kfa s TYR 257 N 0.01 1.15 0.35 5.22 1.51 0.50 -0.23 117.35 125.87 3kfa s TYR 257 Ca -0.08 -0.43 -0.26 0.00 -1.01 0.00 0.00 57.07 55.28 3kfa s TYR 257 Cb -0.15 -0.66 -0.09 0.00 -0.11 0.00 0.00 41.96 40.95 3kfa s TYR 257 CO 0.05 0.04 1.08 -2.00 -1.11 0.00 0.00 175.55 173.61 3kfa s GLU 258 N -1.55 4.34 0.30 -0.62 2.12 -0.14 -0.73 118.70 122.42 3kfa s GLU 258 Ca -0.02 1.66 -0.02 0.00 0.36 0.00 0.00 54.97 56.96 3kfa s GLU 258 Cb -0.09 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 3kfa s GLU 258 CO 0.02 -0.02 0.38 0.20 -0.54 0.00 0.00 175.26 175.29 3kfa s GLY 259 N -1.25 1.50 -0.06 -1.50 0.00 -0.24 -0.11 107.32 105.67 3kfa s GLY 259 Ca 0.52 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3kfa s GLY 259 CO 0.34 -1.11 -0.09 0.14 0.00 0.00 0.00 173.10 172.38 3kfa s VAL 260 N -3.47 0.92 -0.68 1.40 1.01 -0.12 -0.54 120.40 118.93 3kfa s VAL 260 Ca 0.33 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 3kfa s VAL 260 Cb 0.01 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.56 3kfa s VAL 260 CO 0.19 0.31 1.20 0.86 0.00 0.00 0.00 175.10 177.65 3kfa s TRP 261 N 0.79 2.44 0.14 5.22 -0.11 0.44 -0.76 118.94 127.10 3kfa s TRP 261 Ca -0.13 0.01 -0.16 0.00 1.22 0.00 0.00 56.10 57.05 3kfa s TRP 261 Cb -0.15 -4.52 0.01 0.00 -1.50 0.00 0.00 33.47 27.30 3kfa s TRP 261 CO 0.02 -1.86 1.73 0.87 -4.62 0.00 0.00 176.95 173.09 3kfa h LYS 262 N 9.81 0.59 -0.09 5.86 1.57 -1.56 -1.64 116.57 131.10 3kfa h LYS 262 Ca -0.27 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3kfa h LYS 262 Cb 1.06 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3kfa h LYS 262 CO 1.23 0.50 0.08 -0.22 -0.57 0.00 0.00 179.45 180.47 3kfa h LYS 263 N 0.53 0.00 -0.14 3.15 3.64 -1.91 -2.52 116.57 119.32 3kfa h LYS 263 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kfa h LYS 263 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3kfa h LYS 263 CO -0.02 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 3kfa n TYR 264 N -4.19 0.18 -4.00 1.91 4.02 -0.80 -4.99 117.16 109.30 3kfa n TYR 264 Ca -0.01 -0.39 -0.29 0.00 -0.01 0.00 0.00 57.90 57.20 3kfa n TYR 264 Cb 0.19 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3kfa n TYR 264 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3kfa n SER 265 N 0.08 -2.46 -4.22 7.72 7.64 -0.69 -4.95 113.62 116.75 3kfa n SER 265 Ca 0.05 -0.93 -0.33 0.00 1.01 0.00 0.00 58.87 58.67 3kfa n SER 265 Cb 0.29 -3.29 -0.16 0.00 -1.01 0.00 0.00 64.21 60.04 3kfa n SER 265 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kfa s LEU 266 N -7.11 2.37 0.25 -3.43 2.96 -1.08 -4.97 118.68 107.67 3kfa s LEU 266 Ca 0.39 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 3kfa s LEU 266 Cb -0.21 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 3kfa s LEU 266 CO 0.88 0.05 1.29 -0.89 -1.32 0.00 0.00 176.35 176.36 3kfa s THR 267 N 1.01 3.08 0.25 3.68 2.01 -1.26 -0.42 115.64 123.98 3kfa s THR 267 Ca -0.02 0.96 0.01 0.00 0.31 0.00 0.00 61.69 62.96 3kfa s THR 267 Cb -0.15 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3kfa s THR 267 CO -0.04 0.18 0.08 0.68 -0.69 0.00 0.00 174.62 174.83 3kfa s VAL 268 N -0.39 0.61 0.06 3.82 -7.23 0.30 -4.03 120.40 113.54 3kfa s VAL 268 Ca 0.53 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3kfa s VAL 268 Cb -0.37 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 3kfa s VAL 268 CO 0.43 -0.06 -0.10 0.00 -0.31 0.00 0.00 175.10 175.06 3kfa s ALA 269 N -3.72 2.91 -0.06 1.32 0.00 -0.41 -1.07 121.76 120.73 3kfa s ALA 269 Ca 0.36 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kfa s ALA 269 Cb 0.08 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.28 3kfa s ALA 269 CO 0.13 0.62 -0.02 0.08 0.00 0.00 0.00 175.76 176.57 3kfa s VAL 270 N -1.10 0.48 -0.14 0.00 1.01 0.10 -0.85 120.40 119.89 3kfa s VAL 270 Ca 0.19 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 3kfa s VAL 270 Cb -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3kfa s VAL 270 CO 0.10 0.25 0.22 -0.75 0.00 0.00 0.00 175.10 174.93 3kfa s LYS 271 N 1.51 3.95 0.12 2.72 2.20 0.01 -0.37 119.74 129.88 3kfa s LYS 271 Ca -0.02 -0.00 0.08 0.00 -0.36 0.00 0.00 55.97 55.67 3kfa s LYS 271 Cb -0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3kfa s LYS 271 CO -0.03 0.47 -0.20 0.95 -0.36 0.00 0.00 175.35 176.18 3kfa s THR 272 N -0.21 1.76 -0.17 3.43 -4.23 -0.34 -0.97 115.64 114.90 3kfa s THR 272 Ca 0.15 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3kfa s THR 272 Cb -0.13 -1.66 0.05 0.00 1.34 0.00 0.00 72.50 72.10 3kfa s THR 272 CO 0.04 -0.15 0.02 -0.22 -0.54 0.00 0.00 174.62 173.77 3kfa s LEU 273 N -2.18 1.12 0.10 4.79 2.96 -0.18 -4.73 118.68 120.56 3kfa s LEU 273 Ca 0.10 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 3kfa s LEU 273 Cb -0.08 -0.60 -0.21 0.00 0.50 0.00 0.00 46.19 45.80 3kfa s LEU 273 CO 0.05 -0.28 1.20 0.11 -1.32 0.00 0.00 176.35 176.11 3kfa h LYS 274 N 8.25 0.30 -6.23 1.98 1.79 -1.94 0.26 116.57 120.97 3kfa h LYS 274 Ca -0.17 -0.44 -0.57 0.00 -2.18 0.00 0.00 60.65 57.29 3kfa h LYS 274 Cb 1.12 0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 31.84 3kfa h LYS 274 CO 0.33 1.17 -0.59 -1.21 -1.08 0.00 0.00 179.45 178.07 3kfa s GLU 275 N -2.85 2.74 -1.20 3.15 8.01 -1.26 -4.39 118.70 122.90 3kfa s GLU 275 Ca -0.04 -0.98 -0.10 0.00 0.01 0.00 0.00 54.97 53.85 3kfa s GLU 275 Cb 0.08 -2.54 0.21 0.00 -4.31 0.00 0.00 34.13 27.57 3kfa s GLU 275 CO 0.88 0.46 1.52 -3.47 0.01 0.00 0.00 175.26 174.66 3kfa n ASP 276 N -0.42 5.41 -3.42 -0.19 4.64 -1.26 -4.79 116.55 116.53 3kfa n ASP 276 Ca -0.08 -3.09 -0.18 0.00 -1.38 0.00 0.00 54.79 50.05 3kfa n ASP 276 Cb 0.55 -1.47 -0.04 0.00 -1.04 0.00 0.00 41.12 39.13 3kfa n ASP 276 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3kfa n THR 277 N 3.42 0.00 0.28 5.18 -2.24 -1.26 -5.01 114.28 114.66 3kfa n THR 277 Ca 0.34 -1.40 0.16 0.00 -2.27 0.00 0.00 64.05 60.87 3kfa n THR 277 Cb 0.39 0.33 0.77 0.00 -2.10 0.00 0.00 70.33 69.71 3kfa n THR 277 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3kfa h MET 278 N 0.00 0.00 0.00 -0.78 2.86 -2.05 -1.15 114.93 113.81 3kfa h MET 278 Ca -0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3kfa h MET 278 Cb 0.74 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 3kfa h MET 278 CO 0.38 0.00 -0.02 0.93 1.06 0.00 0.00 176.91 179.27 3kfa h GLU 279 N 0.00 0.00 -0.58 1.72 5.08 -1.94 -2.14 114.58 116.71 3kfa h GLU 279 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3kfa h GLU 279 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3kfa h GLU 279 CO 0.00 0.02 0.39 0.28 -1.00 0.00 0.00 179.01 178.69 3kfa h VAL 280 N 0.00 0.95 -0.10 3.13 2.07 -1.51 -2.49 116.25 118.29 3kfa h VAL 280 Ca -0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3kfa h VAL 280 Cb 0.09 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3kfa h VAL 280 CO 0.00 0.09 0.01 -0.08 0.02 0.00 0.00 177.57 177.61 3kfa h GLU 281 N 0.48 0.05 -0.08 1.57 4.81 -1.61 -0.02 114.58 119.79 3kfa h GLU 281 Ca 0.26 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3kfa h GLU 281 Cb 0.40 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3kfa h GLU 281 CO -0.07 0.03 -0.49 1.49 -0.73 0.00 0.00 179.01 179.24 3kfa h GLU 282 N 0.05 0.20 -0.40 1.92 4.57 -1.70 -1.02 114.58 118.20 3kfa h GLU 282 Ca 0.04 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3kfa h GLU 282 Cb 0.04 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3kfa h GLU 282 CO -0.06 0.65 0.16 0.35 -1.18 0.00 0.00 179.01 178.92 3kfa h PHE 283 N 0.16 0.61 -0.11 0.92 3.57 -1.00 -0.15 116.94 120.94 3kfa h PHE 283 Ca 0.01 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 3kfa h PHE 283 Cb 0.92 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3kfa h PHE 283 CO 0.01 0.54 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.12 3kfa h LEU 284 N 0.51 0.29 -0.61 0.59 3.38 -0.83 -1.75 115.31 116.88 3kfa h LEU 284 Ca 0.13 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kfa h LEU 284 Cb 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kfa h LEU 284 CO -0.01 0.70 0.20 0.50 0.09 0.00 0.00 178.44 179.92 3kfa h LYS 285 N 0.22 0.95 -0.19 1.13 3.64 -0.86 -0.55 116.57 120.91 3kfa h LYS 285 Ca 0.02 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kfa h LYS 285 Cb 0.88 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3kfa h LYS 285 CO 0.07 0.83 0.12 1.49 -2.27 0.00 0.00 179.45 179.70 3kfa h GLU 286 N 0.87 0.25 -0.90 1.90 4.81 -0.73 -0.84 114.58 119.93 3kfa h GLU 286 Ca 0.20 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3kfa h GLU 286 Cb 0.28 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3kfa h GLU 286 CO -0.01 0.16 0.59 0.00 -0.73 0.00 0.00 179.01 179.02 3kfa h ALA 287 N 1.07 1.16 -0.63 2.92 0.00 -1.12 -1.15 119.26 121.51 3kfa h ALA 287 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kfa h ALA 287 Cb -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3kfa h ALA 287 CO -0.02 0.49 0.18 0.00 0.00 0.00 0.00 179.25 179.90 3kfa h ALA 288 N 1.35 0.83 -0.41 0.00 0.00 -0.68 -1.26 119.26 119.09 3kfa h ALA 288 Ca 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kfa h ALA 288 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kfa h ALA 288 CO -0.09 0.52 0.11 0.28 0.00 0.00 0.00 179.25 180.06 3kfa h VAL 289 N 0.92 1.23 0.00 0.00 2.07 -0.86 -2.98 116.25 116.61 3kfa h VAL 289 Ca 0.20 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3kfa h VAL 289 Cb 0.31 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kfa h VAL 289 CO -0.00 0.27 -0.15 0.24 0.02 0.00 0.00 177.57 177.94 3kfa h MET 290 N 0.53 0.00 0.00 1.57 2.07 -0.87 -0.30 114.93 117.92 3kfa h MET 290 Ca 0.13 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.74 3kfa h MET 290 Cb 0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.02 3kfa h MET 290 CO -0.00 0.15 -0.10 0.87 1.07 0.00 0.00 176.91 178.90 3kfa h LYS 291 N 0.00 0.00 0.00 1.72 1.57 -1.08 -3.27 116.57 115.51 3kfa h LYS 291 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3kfa h LYS 291 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3kfa h LYS 291 CO 0.02 0.10 -1.86 -1.91 -0.57 0.00 0.00 179.45 175.23 3kfa n GLU 292 N -3.30 0.65 -3.79 3.15 4.07 -0.19 -4.93 120.64 116.32 3kfa n GLU 292 Ca -0.00 0.03 -0.36 0.00 -0.06 0.00 0.00 57.16 56.77 3kfa n GLU 292 Cb 0.32 -1.64 -0.07 0.00 -0.06 0.00 0.00 31.44 29.99 3kfa n GLU 292 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3kfa s ILE 293 N -2.96 5.43 -0.18 6.31 -4.36 -0.82 -5.06 121.20 119.55 3kfa s ILE 293 Ca -0.06 0.28 -0.07 0.00 -0.26 0.00 0.00 60.65 60.53 3kfa s ILE 293 Cb 0.09 -3.46 0.08 0.00 1.25 0.00 0.00 42.46 40.42 3kfa s ILE 293 CO 0.84 0.55 0.39 -0.75 0.24 0.00 0.00 174.94 176.22 3kfa s LYS 294 N -0.55 0.31 -0.12 0.37 2.20 -1.26 -4.88 119.74 115.81 3kfa s LYS 294 Ca 0.14 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.38 3kfa s LYS 294 Cb -0.12 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.48 3kfa s LYS 294 CO 0.03 -0.23 0.79 -1.58 -0.36 0.00 0.00 175.35 174.00 3kfa s HIS 295 N 2.30 -0.58 0.60 4.03 2.46 -1.26 -5.04 115.29 117.80 3kfa s HIS 295 Ca -0.03 1.07 0.30 0.00 0.47 0.00 0.00 55.06 56.87 3kfa s HIS 295 Cb -0.11 0.40 1.74 0.00 -0.13 0.00 0.00 32.58 34.49 3kfa s HIS 295 CO -0.12 -0.49 2.13 -1.00 -2.47 0.00 0.00 174.74 172.79 3kfa h PRO 296 N 3.14 0.00 -0.29 2.88 0.13 -2.00 -2.41 132.00 133.45 3kfa h PRO 296 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 3kfa h PRO 296 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3kfa h PRO 296 CO 0.32 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.15 3kfa n ASN 297 N -3.69 3.10 -4.32 1.44 4.13 -1.26 -4.90 115.26 109.75 3kfa n ASN 297 Ca 0.00 -3.39 -0.32 0.00 1.68 0.00 0.00 54.58 52.56 3kfa n ASN 297 Cb 0.28 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.78 3kfa n ASN 297 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kfa s LEU 298 N -3.04 2.25 0.26 3.41 1.43 -0.91 -0.54 118.68 121.54 3kfa s LEU 298 Ca 0.43 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 3kfa s LEU 298 Cb 0.37 -1.43 -0.12 0.00 0.03 0.00 0.00 46.19 45.04 3kfa s LEU 298 CO 0.04 0.26 1.64 0.55 0.23 0.00 0.00 176.35 179.07 3kfa n VAL 299 N 2.86 0.59 -3.42 -1.59 3.14 -0.78 -4.63 118.33 114.51 3kfa n VAL 299 Ca -0.17 -0.15 -0.38 0.00 -2.96 0.00 0.00 64.34 60.68 3kfa n VAL 299 Cb 0.52 -1.95 -0.08 0.00 -1.06 0.00 0.00 33.84 31.27 3kfa n VAL 299 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3kfa s GLN 300 N 0.20 4.12 0.23 1.45 2.00 -1.26 -4.98 119.66 121.41 3kfa s GLN 300 Ca 0.69 0.11 -0.31 0.00 -2.00 0.00 0.00 55.36 53.85 3kfa s GLN 300 Cb -0.51 -3.57 -0.11 0.00 0.80 0.00 0.00 33.01 29.63 3kfa s GLN 300 CO 0.42 -0.09 1.57 -1.17 -0.50 0.00 0.00 175.29 175.52 3kfa s LEU 301 N 1.47 4.37 -0.11 3.68 2.96 -1.26 -1.39 118.68 128.39 3kfa s LEU 301 Ca 0.17 2.76 0.10 0.00 -0.22 0.00 0.00 54.13 56.93 3kfa s LEU 301 Cb -0.15 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.79 3kfa s LEU 301 CO 0.08 -0.84 0.04 0.18 -1.32 0.00 0.00 176.35 174.48 3kfa n LEU 302 N 3.11 0.08 -3.61 -0.68 4.77 0.88 -4.88 117.00 116.66 3kfa n LEU 302 Ca 0.11 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3kfa n LEU 302 Cb 0.38 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3kfa n LEU 302 CO 0.62 0.30 1.22 -0.83 -1.33 0.00 0.00 177.39 177.37 3kfa s GLY 303 N -4.44 -0.47 0.07 -0.72 0.00 -0.98 -5.02 107.32 95.76 3kfa s GLY 303 Ca -0.06 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3kfa s GLY 303 CO 0.47 1.03 -0.05 -1.34 0.00 0.00 0.00 173.10 173.21 3kfa s VAL 304 N -2.02 0.46 -0.36 1.40 -7.23 -0.25 -0.83 120.40 111.57 3kfa s VAL 304 Ca 0.17 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3kfa s VAL 304 Cb 0.07 -1.56 0.11 0.00 0.56 0.00 0.00 36.38 35.56 3kfa s VAL 304 CO -0.06 -0.92 0.12 0.00 -0.31 0.00 0.00 175.10 173.93 3kfa n THR 306 N 4.29 0.63 0.16 0.00 -2.24 -1.26 -0.91 114.28 114.94 3kfa n THR 306 Ca 0.02 -1.01 0.11 0.00 -2.27 0.00 0.00 64.05 60.91 3kfa n THR 306 Cb 0.40 0.37 0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3kfa n THR 306 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3kfa h ARG 307 N 0.29 0.00 -1.88 -0.78 3.08 -1.94 -3.48 114.38 109.67 3kfa h ARG 307 Ca -0.05 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.21 3kfa h ARG 307 Cb 1.37 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.27 3kfa h ARG 307 CO 0.02 0.03 0.65 -1.83 -1.07 0.00 0.00 179.97 177.77 3kfa s GLU 308 N -3.26 0.63 0.63 0.04 -1.05 -1.26 -5.16 118.70 109.26 3kfa s GLU 308 Ca 0.03 -0.27 -0.16 0.00 -0.15 0.00 0.00 54.97 54.42 3kfa s GLU 308 Cb 0.07 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 3kfa s GLU 308 CO 0.73 -0.28 1.13 -2.14 0.95 0.00 0.00 175.26 175.65 3kfa s PRO 309 N -2.79 2.91 0.26 -4.83 0.02 -1.26 -3.98 135.00 125.32 3kfa s PRO 309 Ca 0.09 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.31 3kfa s PRO 309 Cb -0.00 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 3kfa s PRO 309 CO -0.05 -1.18 1.05 -1.25 -0.33 0.00 0.00 177.00 175.24 3kfa s PRO 310 N -3.82 4.70 0.13 5.54 0.04 -1.26 -5.11 135.00 135.22 3kfa s PRO 310 Ca 0.70 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 63.21 3kfa s PRO 310 Cb -0.22 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 3kfa s PRO 310 CO 0.37 0.29 0.70 -0.06 0.04 0.00 0.00 177.00 178.34 3kfa s PHE 311 N -1.10 3.86 0.05 0.56 0.40 0.08 -4.88 117.98 116.95 3kfa s PHE 311 Ca 0.44 1.49 0.08 0.00 -0.60 0.00 0.00 56.93 58.34 3kfa s PHE 311 Cb -0.30 -2.66 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 3kfa s PHE 311 CO 0.38 0.54 -0.24 0.71 0.70 0.00 0.00 175.22 177.31 3kfa s TYR 312 N -1.15 2.11 -0.15 0.36 4.12 -0.09 -1.01 117.35 121.56 3kfa s TYR 312 Ca 0.33 -0.40 0.02 0.00 0.02 0.00 0.00 57.07 57.05 3kfa s TYR 312 Cb -0.22 -1.26 0.01 0.00 -1.52 0.00 0.00 41.96 38.98 3kfa s TYR 312 CO 0.23 0.11 -0.20 0.42 0.02 0.00 0.00 175.55 176.14 3kfa s ILE 313 N -0.80 1.96 -0.18 2.71 1.01 -0.15 -0.98 121.20 124.77 3kfa s ILE 313 Ca 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3kfa s ILE 313 Cb -0.09 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3kfa s ILE 313 CO 0.02 0.53 -0.08 -0.63 0.00 0.00 0.00 174.94 174.78 3kfa s ILE 314 N 0.99 3.29 0.33 2.92 1.01 -0.01 -0.81 121.20 128.92 3kfa s ILE 314 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.13 3kfa s ILE 314 Cb -0.15 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3kfa s ILE 314 CO -0.05 0.47 -0.00 0.42 0.00 0.00 0.00 174.94 175.77 3kfa s THR 315 N 0.95 1.58 0.86 2.92 -4.23 -0.03 -0.08 115.64 117.61 3kfa s THR 315 Ca -0.01 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 3kfa s THR 315 Cb -0.15 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.04 3kfa s THR 315 CO 0.00 -0.13 0.74 -1.84 -0.54 0.00 0.00 174.62 172.85 3kfa n GLU 316 N -0.71 -0.07 -3.87 3.99 0.28 -0.48 -1.28 120.64 118.50 3kfa n GLU 316 Ca -0.04 0.04 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 3kfa n GLU 316 Cb 0.65 -2.07 -0.09 0.00 1.43 0.00 0.00 31.44 31.36 3kfa n GLU 316 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3kfa s PHE 317 N -2.25 3.30 -0.35 -1.84 5.36 -1.26 -4.08 117.98 116.85 3kfa s PHE 317 Ca 0.64 0.15 -0.11 0.00 -0.96 0.00 0.00 56.93 56.65 3kfa s PHE 317 Cb -0.26 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.30 3kfa s PHE 317 CO 0.60 0.17 0.20 -1.64 -1.46 0.00 0.00 175.22 173.08 3kfa s MET 318 N 0.49 3.04 0.50 10.12 -1.94 -1.26 -4.99 119.30 125.26 3kfa s MET 318 Ca 0.05 -0.93 0.25 0.00 -1.71 0.00 0.00 55.69 53.35 3kfa s MET 318 Cb -0.12 -3.69 1.30 0.00 2.01 0.00 0.00 34.83 34.33 3kfa s MET 318 CO 0.00 -0.59 2.01 1.79 -0.01 0.00 0.00 175.02 178.22 3kfa h THR 319 N 5.77 0.63 -0.35 2.05 1.35 -1.89 -2.84 112.91 117.62 3kfa h THR 319 Ca -0.28 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3kfa h THR 319 Cb 1.12 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3kfa h THR 319 CO 0.65 0.15 0.00 -1.22 -0.25 0.00 0.00 175.52 174.85 3kfa n TYR 320 N -3.65 0.46 -4.25 4.73 4.02 0.27 -5.02 117.16 113.71 3kfa n TYR 320 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3kfa n TYR 320 Cb 0.28 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3kfa n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kfa n GLY 321 N 1.25 -0.98 3.79 2.72 0.00 -1.07 -4.68 105.19 106.21 3kfa n GLY 321 Ca 0.17 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3kfa n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfa s ASN 322 N -4.00 6.25 0.34 1.61 2.20 -1.26 -0.58 114.94 119.50 3kfa s ASN 322 Ca 0.00 2.00 0.10 0.00 -0.94 0.00 0.00 52.86 54.03 3kfa s ASN 322 Cb 0.00 -2.57 0.61 0.00 -2.00 0.00 0.00 41.25 37.29 3kfa s ASN 322 CO 0.00 -0.85 1.77 0.25 -2.94 0.00 0.00 177.10 175.34 3kfa h LEU 323 N 1.59 0.09 0.08 3.54 5.85 -0.79 -1.60 115.31 124.07 3kfa h LEU 323 Ca -0.49 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3kfa h LEU 323 Cb 1.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3kfa h LEU 323 CO 0.59 0.48 -0.04 0.25 -0.34 0.00 0.00 178.44 179.38 3kfa h LEU 324 N 0.08 -0.09 -0.92 2.25 5.85 -1.80 -0.34 115.31 120.33 3kfa h LEU 324 Ca 0.01 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3kfa h LEU 324 Cb 0.73 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3kfa h LEU 324 CO 0.05 0.09 -0.40 0.44 -0.34 0.00 0.00 178.44 178.28 3kfa h ASP 325 N -0.27 0.30 -0.20 1.25 3.32 -1.88 -1.54 116.42 117.40 3kfa h ASP 325 Ca -0.01 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3kfa h ASP 325 Cb 0.23 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3kfa h ASP 325 CO 0.02 0.67 0.01 0.22 -1.72 0.00 0.00 179.24 178.44 3kfa h TYR 326 N 0.24 0.01 -0.81 4.55 3.20 -1.02 -1.45 116.97 121.69 3kfa h TYR 326 Ca 0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kfa h TYR 326 Cb 0.81 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3kfa h TYR 326 CO 0.02 -0.02 0.47 -0.07 -1.64 0.00 0.00 178.16 176.92 3kfa h LEU 327 N 0.08 0.99 -1.31 2.82 3.38 -0.84 -1.89 115.31 118.55 3kfa h LEU 327 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kfa h LEU 327 Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kfa h LEU 327 CO -0.15 0.78 0.00 0.03 0.09 0.00 0.00 178.44 179.20 3kfa h ARG 328 N 1.12 0.00 -0.03 1.13 3.08 -0.82 -3.22 114.38 115.64 3kfa h ARG 328 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kfa h ARG 328 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kfa h ARG 328 CO -0.05 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.24 3kfa n GLU 329 N -2.82 0.14 -1.89 0.04 1.02 -0.59 -5.07 120.64 111.47 3kfa n GLU 329 Ca 0.01 -0.92 -0.30 0.00 -0.02 0.00 0.00 57.16 55.93 3kfa n GLU 329 Cb 0.27 -1.09 0.04 0.00 -0.02 0.00 0.00 31.44 30.64 3kfa n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfa s ASN 331 N -4.33 6.50 0.07 0.00 3.84 -1.26 -4.96 114.94 114.80 3kfa s ASN 331 Ca 0.58 0.38 0.23 0.00 0.21 0.00 0.00 52.86 54.26 3kfa s ASN 331 Cb -0.11 -2.34 0.94 0.00 -0.55 0.00 0.00 41.25 39.19 3kfa s ASN 331 CO 0.52 -0.53 1.73 0.54 -2.79 0.00 0.00 177.10 176.56 3kfa n ARG 332 N 5.98 0.07 0.15 0.43 1.74 -1.26 -0.80 116.66 122.96 3kfa n ARG 332 Ca -0.00 0.17 0.01 0.00 -0.77 0.00 0.00 57.85 57.25 3kfa n ARG 332 Cb 0.49 -1.60 0.21 0.00 -1.02 0.00 0.00 32.46 30.54 3kfa n ARG 332 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kfa h GLN 333 N 0.00 0.00 0.00 5.56 7.50 -2.00 -3.23 115.11 122.94 3kfa h GLN 333 Ca 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 3kfa h GLN 333 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 3kfa h GLN 333 CO 0.00 0.55 -0.52 0.93 -1.50 0.00 0.00 178.83 178.29 3kfa h GLU 334 N 0.00 0.00 -4.45 1.46 5.08 -1.69 -3.39 114.58 111.58 3kfa h GLU 334 Ca -0.01 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 3kfa h GLU 334 Cb 1.06 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.15 3kfa h GLU 334 CO 0.07 0.77 1.64 0.28 -1.00 0.00 0.00 179.01 180.77 3kfa n VAL 335 N -4.57 4.25 -2.47 3.13 0.31 0.02 -4.83 118.33 114.17 3kfa n VAL 335 Ca -0.17 -4.56 -0.11 0.00 -0.01 0.00 0.00 64.34 59.49 3kfa n VAL 335 Cb 0.47 -2.43 0.06 0.00 -0.91 0.00 0.00 33.84 31.03 3kfa n VAL 335 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kfa n SER 336 N 5.32 0.70 -0.28 4.52 3.41 -1.22 -4.59 113.62 121.47 3kfa n SER 336 Ca 0.39 -1.58 0.06 0.00 -0.26 0.00 0.00 58.87 57.47 3kfa n SER 336 Cb 0.41 -0.32 0.20 0.00 -0.26 0.00 0.00 64.21 64.24 3kfa n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kfa h ALA 337 N -0.47 1.19 -0.24 7.33 0.00 -1.93 -0.51 119.26 124.63 3kfa h ALA 337 Ca -0.16 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3kfa h ALA 337 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kfa h ALA 337 CO 0.18 -0.08 -0.25 -0.24 0.00 0.00 0.00 179.25 178.85 3kfa h VAL 338 N 0.61 1.26 -0.22 0.00 3.04 -1.94 -2.41 116.25 116.60 3kfa h VAL 338 Ca 0.43 -1.26 -0.15 0.00 -1.01 0.00 0.00 66.70 64.72 3kfa h VAL 338 Cb 0.58 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 3kfa h VAL 338 CO -0.34 0.40 -0.47 0.58 -1.01 0.00 0.00 177.57 176.72 3kfa h VAL 339 N 0.41 1.31 -0.84 1.51 2.07 -1.45 -0.11 116.25 119.14 3kfa h VAL 339 Ca 0.06 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 3kfa h VAL 339 Cb 0.66 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3kfa h VAL 339 CO 0.05 0.53 0.40 -0.07 0.02 0.00 0.00 177.57 178.49 3kfa h LEU 340 N 0.45 1.11 -0.57 2.57 3.38 -0.99 0.98 115.31 122.24 3kfa h LEU 340 Ca 0.03 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3kfa h LEU 340 Cb 1.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3kfa h LEU 340 CO 0.09 0.94 -0.03 -0.07 0.09 0.00 0.00 178.44 179.46 3kfa h LEU 341 N 1.21 1.00 -0.56 1.67 3.38 -1.18 -2.27 115.31 118.56 3kfa h LEU 341 Ca 0.29 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kfa h LEU 341 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3kfa h LEU 341 CO -0.04 1.08 0.35 0.22 0.09 0.00 0.00 178.44 180.14 3kfa h TYR 342 N 0.90 0.65 -0.10 1.13 3.20 -0.34 0.18 116.97 122.60 3kfa h TYR 342 Ca 0.16 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3kfa h TYR 342 Cb 0.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3kfa h TYR 342 CO 0.04 0.39 -0.04 0.52 -1.64 0.00 0.00 178.16 177.43 3kfa h MET 343 N 0.70 -0.02 -0.49 1.82 2.86 -0.66 -1.30 114.93 117.84 3kfa h MET 343 Ca 0.22 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 3kfa h MET 343 Cb -0.01 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3kfa h MET 343 CO -0.08 -0.02 0.12 0.00 1.06 0.00 0.00 176.91 177.99 3kfa h ALA 344 N 1.07 1.30 -0.35 6.32 0.00 -1.10 -1.84 119.26 124.66 3kfa h ALA 344 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kfa h ALA 344 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kfa h ALA 344 CO -0.12 0.50 0.08 1.15 0.00 0.00 0.00 179.25 180.86 3kfa h THR 345 N 0.71 1.23 -0.46 0.00 2.02 -0.66 -0.16 112.91 115.58 3kfa h THR 345 Ca 0.16 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 3kfa h THR 345 Cb 0.27 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3kfa h THR 345 CO -0.00 0.26 0.21 1.56 0.37 0.00 0.00 175.52 177.91 3kfa h GLN 346 N 0.41 0.67 -0.40 6.66 4.20 -1.05 -0.84 115.11 124.77 3kfa h GLN 346 Ca 0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3kfa h GLN 346 Cb 0.31 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3kfa h GLN 346 CO 0.00 0.59 0.08 0.82 -0.67 0.00 0.00 178.83 179.65 3kfa h ILE 347 N 0.60 1.24 0.00 2.54 2.04 -1.26 -1.99 117.51 120.67 3kfa h ILE 347 Ca 0.16 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3kfa h ILE 347 Cb 0.15 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3kfa h ILE 347 CO -0.02 0.29 -0.24 0.77 0.00 0.00 0.00 178.15 178.95 3kfa h SER 348 N 0.50 0.00 -0.34 1.72 4.64 -0.83 -0.57 113.55 118.68 3kfa h SER 348 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 3kfa h SER 348 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3kfa h SER 348 CO 0.01 0.24 0.03 -1.28 -0.87 0.00 0.00 176.83 174.96 3kfa h SER 349 N 0.00 0.56 -0.73 4.97 0.87 -0.71 0.91 113.55 119.42 3kfa h SER 349 Ca -0.00 -0.28 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 3kfa h SER 349 Cb 0.45 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 3kfa h SER 349 CO 0.03 0.70 0.45 0.00 -0.53 0.00 0.00 176.83 177.48 3kfa h ALA 350 N 0.88 0.95 -0.04 6.23 0.00 -0.89 -2.18 119.26 124.22 3kfa h ALA 350 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3kfa h ALA 350 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kfa h ALA 350 CO 0.01 0.23 -0.64 0.52 0.00 0.00 0.00 179.25 179.37 3kfa h MET 351 N 0.88 0.16 -0.80 0.00 2.86 -0.86 -0.42 114.93 116.76 3kfa h MET 351 Ca 0.29 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3kfa h MET 351 Cb 0.04 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3kfa h MET 351 CO -0.12 0.75 0.52 1.49 1.06 0.00 0.00 176.91 180.61 3kfa h GLU 352 N 0.12 0.99 -0.30 1.72 4.81 -0.55 0.47 114.58 121.85 3kfa h GLU 352 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3kfa h GLU 352 Cb 1.16 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3kfa h GLU 352 CO 0.09 0.66 0.07 -0.92 -0.73 0.00 0.00 179.01 178.18 3kfa h TYR 353 N 1.02 0.51 -0.04 0.92 3.20 -0.96 -1.83 116.97 119.78 3kfa h TYR 353 Ca 0.31 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3kfa h TYR 353 Cb -0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3kfa h TYR 353 CO -0.02 0.54 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.77 3kfa h LEU 354 N 0.32 0.06 -0.71 2.82 3.38 -0.74 -1.17 115.31 119.28 3kfa h LEU 354 Ca 0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3kfa h LEU 354 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kfa h LEU 354 CO 0.00 0.27 0.06 -0.08 0.09 0.00 0.00 178.44 178.78 3kfa h GLU 355 N 0.06 1.05 -0.73 1.13 4.81 -0.65 0.09 114.58 120.34 3kfa h GLU 355 Ca 0.01 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 3kfa h GLU 355 Cb 0.39 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3kfa h GLU 355 CO 0.03 0.99 0.23 0.87 -0.73 0.00 0.00 179.01 180.40 3kfa h LYS 356 N 0.98 1.13 0.00 1.92 1.57 -0.42 -2.13 116.57 119.62 3kfa h LYS 356 Ca 0.19 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kfa h LYS 356 Cb 0.48 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3kfa h LYS 356 CO 0.02 0.96 0.00 1.63 -0.57 0.00 0.00 179.45 181.49 3kfa n LYS 357 N -4.28 0.15 -3.90 3.15 4.76 -0.55 -4.90 118.16 112.59 3kfa n LYS 357 Ca 0.06 0.28 -0.28 0.00 -2.87 0.00 0.00 58.31 55.50 3kfa n LYS 357 Cb 0.22 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 31.70 3kfa n LYS 357 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kfa n ASN 358 N -2.00 -3.17 -4.57 4.39 4.05 -0.09 -4.99 115.26 108.88 3kfa n ASN 358 Ca 0.04 -0.84 -0.40 0.00 0.45 0.00 0.00 54.58 53.82 3kfa n ASN 358 Cb 0.28 -3.69 -0.09 0.00 1.23 0.00 0.00 39.78 37.50 3kfa n ASN 358 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3kfa s PHE 359 N -3.47 3.22 -0.23 1.20 5.36 -0.54 -5.03 117.98 118.48 3kfa s PHE 359 Ca 0.43 0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 56.34 3kfa s PHE 359 Cb -0.22 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.82 3kfa s PHE 359 CO 0.84 -0.34 0.60 0.42 -1.46 0.00 0.00 175.22 175.29 3kfa s ILE 360 N 2.03 5.02 -0.04 3.12 1.01 -1.26 -4.62 121.20 126.46 3kfa s ILE 360 Ca 0.13 1.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.64 3kfa s ILE 360 Cb -0.16 -3.91 -0.22 0.00 0.01 0.00 0.00 42.46 38.18 3kfa s ILE 360 CO 0.11 0.08 1.11 -0.74 0.00 0.00 0.00 174.94 175.50 3kfa h HIS 361 N 7.69 0.20 0.00 3.97 -0.00 -1.97 -3.48 115.15 121.57 3kfa h HIS 361 Ca -0.30 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3kfa h HIS 361 Cb 1.14 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3kfa h HIS 361 CO 0.73 0.81 0.00 0.54 -0.00 0.00 0.00 177.93 180.02 3kfa n ARG 362 N -4.60 0.00 -2.70 5.26 1.74 -1.26 -4.81 116.66 110.29 3kfa n ARG 362 Ca -0.09 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 3kfa n ARG 362 Cb 0.42 -1.20 0.07 0.00 -1.02 0.00 0.00 32.46 30.73 3kfa n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kfa n ASP 363 N 0.00 -0.21 -4.72 0.55 2.03 -1.26 -5.04 116.55 107.89 3kfa n ASP 363 Ca 0.00 -2.65 -0.42 0.00 0.52 0.00 0.00 54.79 52.25 3kfa n ASP 363 Cb 0.00 0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 3kfa n ASP 363 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kfa s LEU 364 N -3.10 4.41 -0.17 -2.67 2.96 -1.26 -4.78 118.68 114.07 3kfa s LEU 364 Ca 0.25 2.02 -0.35 0.00 -0.22 0.00 0.00 54.13 55.84 3kfa s LEU 364 Cb 0.42 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.66 3kfa s LEU 364 CO -0.03 -0.37 1.23 0.00 -1.32 0.00 0.00 176.35 175.86 3kfa s ALA 365 N 0.59 -2.10 0.47 5.97 0.00 -1.26 -4.70 121.76 120.72 3kfa s ALA 365 Ca 0.55 1.49 0.14 0.00 0.00 0.00 0.00 51.96 54.14 3kfa s ALA 365 Cb -0.29 -0.07 1.07 0.00 0.00 0.00 0.00 23.12 23.83 3kfa s ALA 365 CO 0.31 -0.66 2.05 0.00 0.00 0.00 0.00 175.76 177.47 3kfa h ALA 366 N 2.00 1.80 0.00 0.00 0.00 -1.93 -1.19 119.26 119.94 3kfa h ALA 366 Ca -0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kfa h ALA 366 Cb 1.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kfa h ALA 366 CO 0.23 0.15 -0.01 0.07 0.00 0.00 0.00 179.25 179.70 3kfa h ARG 367 N 0.08 0.00 -0.59 0.00 0.11 -1.95 -1.84 114.38 110.20 3kfa h ARG 367 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3kfa h ARG 367 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 3kfa h ARG 367 CO 0.01 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.18 3kfa n ASN 368 N -3.15 3.57 -4.80 0.08 3.02 -0.45 -4.77 115.26 108.76 3kfa n ASN 368 Ca -0.02 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.27 3kfa n ASN 368 Cb 0.17 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 3kfa n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kfa s LEU 370 N -3.02 2.36 -0.04 0.00 1.43 0.27 -0.68 118.68 119.01 3kfa s LEU 370 Ca 0.31 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3kfa s LEU 370 Cb -0.10 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 3kfa s LEU 370 CO 0.23 0.00 -0.21 -0.69 0.23 0.00 0.00 176.35 175.92 3kfa s VAL 371 N -1.60 1.68 0.00 -1.59 1.01 0.25 -0.84 120.40 119.31 3kfa s VAL 371 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3kfa s VAL 371 Cb -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3kfa s VAL 371 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3kfa n GLY 372 N 2.93 7.04 3.76 4.51 0.00 0.36 -0.56 105.19 123.22 3kfa n GLY 372 Ca -0.17 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 3kfa n GLY 372 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfa s GLU 373 N 1.30 3.03 -1.46 1.61 0.41 -1.26 -3.35 118.70 118.97 3kfa s GLU 373 Ca 0.00 1.81 -0.07 0.00 -0.41 0.00 0.00 54.97 56.30 3kfa s GLU 373 Cb 0.00 -1.95 0.03 0.00 -1.78 0.00 0.00 34.13 30.43 3kfa s GLU 373 CO 0.00 -1.16 0.70 0.09 -0.49 0.00 0.00 175.26 174.40 3kfa n ASN 374 N -1.53 -5.43 -1.64 -0.19 3.02 -1.26 -2.04 115.26 106.19 3kfa n ASN 374 Ca 0.13 -0.40 -0.18 0.00 -0.03 0.00 0.00 54.58 54.11 3kfa n ASN 374 Cb 0.50 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.24 3kfa n ASN 374 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kfa n HIS 375 N -4.46 -0.38 -1.86 3.10 8.25 -1.21 -4.96 115.22 113.70 3kfa n HIS 375 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 3kfa n HIS 375 Cb 0.58 -3.23 -0.03 0.00 1.12 0.00 0.00 29.99 28.44 3kfa n HIS 375 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kfa s LEU 376 N -4.46 4.37 -0.04 2.41 2.96 -0.87 -4.79 118.68 118.26 3kfa s LEU 376 Ca 0.00 2.75 0.04 0.00 -0.22 0.00 0.00 54.13 56.71 3kfa s LEU 376 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 3kfa s LEU 376 CO 0.00 -0.86 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.31 3kfa s VAL 377 N 0.78 1.39 0.03 1.68 1.01 -1.26 -0.49 120.40 123.54 3kfa s VAL 377 Ca 0.69 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3kfa s VAL 377 Cb -0.46 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3kfa s VAL 377 CO 0.36 0.40 -0.14 -0.54 0.00 0.00 0.00 175.10 175.18 3kfa s LYS 378 N -0.05 0.98 0.29 2.72 1.02 -0.02 -4.69 119.74 119.98 3kfa s LYS 378 Ca -0.01 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 3kfa s LYS 378 Cb -0.10 -0.99 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 3kfa s LYS 378 CO 0.01 0.25 0.94 0.08 -0.92 0.00 0.00 175.35 175.71 3kfa s VAL 379 N -0.79 4.15 0.23 3.17 1.01 0.30 -0.56 120.40 127.90 3kfa s VAL 379 Ca 0.02 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.98 3kfa s VAL 379 Cb -0.08 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3kfa s VAL 379 CO 0.01 0.30 0.23 0.00 0.00 0.00 0.00 175.10 175.64 3kfa n ALA 380 N 0.97 0.30 -3.67 5.51 0.00 -0.11 -1.86 120.51 121.64 3kfa n ALA 380 Ca 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.09 3kfa n ALA 380 Cb 0.49 1.02 -0.10 0.00 0.00 0.00 0.00 19.45 20.86 3kfa n ALA 380 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kfa s ASP 381 N -2.54 -0.46 0.00 0.00 2.15 -1.26 -4.69 116.67 109.87 3kfa s ASP 381 Ca 0.25 1.00 0.15 0.00 0.43 0.00 0.00 52.55 54.38 3kfa s ASP 381 Cb 0.01 1.09 0.29 0.00 -0.30 0.00 0.00 42.92 44.01 3kfa s ASP 381 CO 0.18 -0.21 1.19 0.49 -0.17 0.00 0.00 175.17 176.65 3kfa n PHE 382 N 4.75 0.36 -3.52 -5.34 3.01 -1.26 -4.99 117.46 110.48 3kfa n PHE 382 Ca -0.17 -0.29 -0.18 0.00 1.01 0.00 0.00 57.45 57.82 3kfa n PHE 382 Cb 0.53 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 40.06 3kfa n PHE 382 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kfa n GLY 383 N 0.87 -0.34 0.05 1.37 0.00 -1.26 -4.87 105.19 101.01 3kfa n GLY 383 Ca 0.13 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3kfa n GLY 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kfa n LEU 384 N -4.17 0.36 0.26 0.99 4.77 -1.26 -4.27 117.00 113.69 3kfa n LEU 384 Ca -0.29 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3kfa n LEU 384 Cb 0.67 -0.42 0.67 0.00 -2.33 0.00 0.00 43.42 42.01 3kfa n LEU 384 CO 0.63 -0.09 1.03 0.77 -1.33 0.00 0.00 177.39 178.40 3kfa h SER 385 N 0.00 0.00 -0.27 -1.43 4.64 -1.90 0.09 113.55 114.69 3kfa h SER 385 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kfa h SER 385 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3kfa h SER 385 CO 0.00 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 3kfa n ARG 386 N -4.25 2.84 -0.08 4.77 5.12 -1.26 -4.58 116.66 119.21 3kfa n ARG 386 Ca -0.03 -2.19 -0.11 0.00 -1.93 0.00 0.00 57.85 53.59 3kfa n ARG 386 Cb 0.14 -1.38 -0.07 0.00 -1.16 0.00 0.00 32.46 29.99 3kfa n ARG 386 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kfa n LEU 387 N 0.06 2.89 -4.62 0.55 4.77 -0.31 -4.97 117.00 115.36 3kfa n LEU 387 Ca 0.13 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 3kfa n LEU 387 Cb 0.52 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3kfa n LEU 387 CO 0.08 0.74 0.20 -0.32 -1.33 0.00 0.00 177.39 176.77 3kfa s MET 388 N -2.31 4.07 0.43 3.23 1.75 -0.13 -4.59 119.30 121.74 3kfa s MET 388 Ca -0.21 0.26 0.02 0.00 -1.25 0.00 0.00 55.69 54.51 3kfa s MET 388 Cb 0.06 -3.64 -0.00 0.00 2.84 0.00 0.00 34.83 34.08 3kfa s MET 388 CO 0.35 -0.31 0.62 0.95 -0.65 0.00 0.00 175.02 175.99 3kfa s THR 389 N 2.18 3.93 0.00 10.11 -4.23 -1.26 -4.66 115.64 121.72 3kfa s THR 389 Ca 0.20 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 3kfa s THR 389 Cb -0.16 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3kfa s THR 389 CO 0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3kfa n GLY 390 N -1.98 -0.95 0.01 3.99 0.00 -1.26 -4.67 105.19 100.34 3kfa n GLY 390 Ca 0.01 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3kfa n GLY 390 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kfa n ASP 391 N 0.00 0.31 0.05 1.61 9.92 -1.26 -4.27 116.55 122.92 3kfa n ASP 391 Ca 0.00 0.17 -0.12 0.00 -0.53 0.00 0.00 54.79 54.31 3kfa n ASP 391 Cb 0.00 -0.16 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 3kfa n ASP 391 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3kfa h THR 392 N 0.00 0.97 -3.44 -3.53 2.02 -1.90 -3.40 112.91 103.63 3kfa h THR 392 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 3kfa h THR 392 Cb 0.53 0.97 -0.21 0.00 -1.74 0.00 0.00 68.15 67.70 3kfa h THR 392 CO 0.00 0.00 -0.69 -0.31 0.37 0.00 0.00 175.52 174.89 3kfa s TYR 393 N -6.18 2.96 0.14 3.16 1.51 -1.26 -3.96 117.35 113.72 3kfa s TYR 393 Ca -0.13 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3kfa s TYR 393 Cb 0.06 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 3kfa s TYR 393 CO 0.66 0.08 0.03 0.95 -1.11 0.00 0.00 175.55 176.16 3kfa s THR 394 N -0.10 0.33 0.19 -0.71 -4.23 -0.37 -4.82 115.64 105.94 3kfa s THR 394 Ca 0.01 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.27 3kfa s THR 394 Cb -0.13 -2.04 -0.11 0.00 1.34 0.00 0.00 72.50 71.55 3kfa s THR 394 CO 0.03 -0.50 1.68 0.00 -0.54 0.00 0.00 174.62 175.29 3kfa s ALA 395 N -3.89 3.89 -0.28 3.99 0.00 -1.26 -1.16 121.76 123.04 3kfa s ALA 395 Ca 0.23 1.52 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 3kfa s ALA 395 Cb 0.07 -3.68 0.12 0.00 0.00 0.00 0.00 23.12 19.63 3kfa s ALA 395 CO 0.02 -0.90 0.88 -1.58 0.00 0.00 0.00 175.76 174.18 3kfa s HIS 396 N 1.25 -0.72 -1.52 0.00 5.04 -0.46 -4.87 115.29 114.01 3kfa s HIS 396 Ca 0.74 1.50 -0.12 0.00 -1.54 0.00 0.00 55.06 55.64 3kfa s HIS 396 Cb -0.48 0.43 0.08 0.00 0.04 0.00 0.00 32.58 32.65 3kfa s HIS 396 CO 0.32 -0.35 0.89 0.00 -2.34 0.00 0.00 174.74 173.26 3kfa n ALA 397 N 3.54 -1.41 -0.90 1.58 0.00 -1.26 -1.09 120.51 120.96 3kfa n ALA 397 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kfa n ALA 397 Cb 0.57 -3.88 0.00 0.00 0.00 0.00 0.00 19.45 16.14 3kfa n ALA 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kfa n GLY 398 N -1.66 0.37 0.00 0.00 0.00 -1.26 -4.93 105.19 97.72 3kfa n GLY 398 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kfa n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfa n ALA 399 N 1.00 0.00 -3.68 4.61 0.00 -0.25 -5.15 120.51 117.04 3kfa n ALA 399 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3kfa n ALA 399 Cb 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.42 3kfa n ALA 399 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kfa s LYS 400 N 0.22 2.46 0.05 0.00 1.02 -1.26 -1.35 119.74 120.88 3kfa s LYS 400 Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.40 3kfa s LYS 400 Cb 0.00 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 3kfa s LYS 400 CO 0.00 -0.06 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.17 3kfa s PHE 401 N 0.96 2.66 -1.09 3.18 0.40 -0.31 -4.81 117.98 118.97 3kfa s PHE 401 Ca -0.06 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 55.89 3kfa s PHE 401 Cb -0.15 -1.49 0.10 0.00 0.51 0.00 0.00 43.02 41.99 3kfa s PHE 401 CO -0.02 0.32 1.43 -1.25 0.70 0.00 0.00 175.22 176.39 3kfa s PRO 402 N -1.59 3.77 0.28 0.24 0.04 -1.26 -1.24 135.00 135.25 3kfa s PRO 402 Ca 0.16 -1.75 0.02 0.00 0.04 0.00 0.00 61.00 59.47 3kfa s PRO 402 Cb -0.11 -5.23 0.61 0.00 0.04 0.00 0.00 34.50 29.81 3kfa s PRO 402 CO 0.07 -2.03 1.78 0.82 0.04 0.00 0.00 177.00 177.69 3kfa h ILE 403 N 5.88 0.77 0.00 0.56 1.08 -1.91 -0.46 117.51 123.43 3kfa h ILE 403 Ca 0.27 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kfa h ILE 403 Cb 0.96 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3kfa h ILE 403 CO 1.32 0.14 0.00 0.29 -0.69 0.00 0.00 178.15 179.21 3kfa n LYS 404 N -4.77 0.10 0.00 2.37 5.02 -1.26 -2.04 118.16 117.57 3kfa n LYS 404 Ca 0.20 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 3kfa n LYS 404 Cb 0.47 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 3kfa n LYS 404 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kfa n TRP 405 N -1.43 0.00 -3.39 2.13 8.01 -0.20 -4.97 117.44 117.59 3kfa n TRP 405 Ca 0.06 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.88 3kfa n TRP 405 Cb 0.20 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.44 3kfa n TRP 405 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3kfa s THR 406 N -1.32 5.22 0.66 -0.99 2.01 -0.87 -4.05 115.64 116.29 3kfa s THR 406 Ca 0.16 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 3kfa s THR 406 Cb 0.12 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kfa s THR 406 CO 0.22 0.31 1.25 0.00 -0.69 0.00 0.00 174.62 175.70 3kfa s ALA 407 N 0.89 2.35 0.22 7.40 0.00 -1.26 -4.77 121.76 126.58 3kfa s ALA 407 Ca 0.21 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 3kfa s ALA 407 Cb -0.14 -3.50 0.33 0.00 0.00 0.00 0.00 23.12 19.80 3kfa s ALA 407 CO 0.08 -1.57 1.78 -1.35 0.00 0.00 0.00 175.76 174.70 3kfa h PRO 408 N 0.39 0.59 0.00 0.00 0.11 -1.96 -0.89 132.00 130.25 3kfa h PRO 408 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3kfa h PRO 408 Cb 1.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kfa h PRO 408 CO 0.53 0.39 -0.11 1.05 -0.21 0.00 0.00 178.00 179.65 3kfa h GLU 409 N 0.61 0.00 -0.08 1.05 9.09 -1.89 0.55 114.58 123.91 3kfa h GLU 409 Ca 0.35 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.55 3kfa h GLU 409 Cb 0.35 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.47 3kfa h GLU 409 CO -0.26 0.11 -0.77 0.77 0.05 0.00 0.00 179.01 178.91 3kfa h SER 410 N 0.00 0.82 -0.33 3.06 0.02 -1.19 -0.77 113.55 115.16 3kfa h SER 410 Ca -0.00 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.25 3kfa h SER 410 Cb 0.66 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3kfa h SER 410 CO 0.01 1.37 0.13 -0.07 -1.14 0.00 0.00 176.83 177.14 3kfa h LEU 411 N 0.33 0.45 0.25 5.07 3.38 -0.84 -1.80 115.31 122.16 3kfa h LEU 411 Ca -0.07 -0.16 -0.34 0.00 0.09 0.00 0.00 57.88 57.39 3kfa h LEU 411 Cb 1.42 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 42.08 3kfa h LEU 411 CO 0.15 0.49 -1.53 0.00 0.09 0.00 0.00 178.44 177.65 3kfa h ALA 412 N 0.98 -0.11 0.00 1.53 0.00 -0.95 -3.40 119.26 117.30 3kfa h ALA 412 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3kfa h ALA 412 Cb 0.18 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kfa h ALA 412 CO -0.01 0.74 0.00 0.66 0.00 0.00 0.00 179.25 180.65 3kfa n TYR 413 N -3.70 0.00 -2.33 0.00 4.02 -0.32 -5.00 117.16 109.83 3kfa n TYR 413 Ca -0.18 -0.19 -0.21 0.00 -0.01 0.00 0.00 57.90 57.31 3kfa n TYR 413 Cb 1.10 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 40.39 3kfa n TYR 413 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3kfa n ASN 414 N -0.19 -5.82 -4.48 7.72 4.05 -0.67 -4.94 115.26 110.93 3kfa n ASN 414 Ca 0.00 0.02 -0.43 0.00 0.45 0.00 0.00 54.58 54.61 3kfa n ASN 414 Cb 0.22 -4.86 -0.07 0.00 1.23 0.00 0.00 39.78 36.31 3kfa n ASN 414 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3kfa s LYS 415 N -4.94 3.16 -0.04 1.20 2.47 -1.04 -4.94 119.74 115.63 3kfa s LYS 415 Ca 0.00 -0.71 0.00 0.00 -1.56 0.00 0.00 55.97 53.71 3kfa s LYS 415 Cb 0.00 -4.03 -0.03 0.00 -1.46 0.00 0.00 37.83 32.31 3kfa s LYS 415 CO 0.00 -1.09 -0.00 -0.06 0.16 0.00 0.00 175.35 174.36 3kfa s PHE 416 N 2.61 3.10 0.30 4.03 0.40 -1.26 -3.28 117.98 123.87 3kfa s PHE 416 Ca 0.17 0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.42 3kfa s PHE 416 Cb -0.17 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.68 3kfa s PHE 416 CO 0.14 0.46 0.79 -1.54 0.70 0.00 0.00 175.22 175.77 3kfa s SER 417 N -1.27 -0.15 0.36 1.36 1.04 -1.26 -4.96 113.70 108.82 3kfa s SER 417 Ca 0.17 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.90 3kfa s SER 417 Cb -0.11 0.73 0.78 0.00 0.10 0.00 0.00 66.02 67.52 3kfa s SER 417 CO 0.07 -1.40 1.91 0.40 0.98 0.00 0.00 173.24 175.19 3kfa h ILE 418 N 2.00 0.92 0.00 -1.02 1.08 -1.98 -1.45 117.51 117.06 3kfa h ILE 418 Ca -0.25 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 63.90 3kfa h ILE 418 Cb 1.25 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 3kfa h ILE 418 CO 0.30 0.13 -0.36 0.11 -0.69 0.00 0.00 178.15 177.64 3kfa h LYS 419 N 0.73 0.00 0.00 2.37 1.79 -1.95 -0.33 116.57 119.18 3kfa h LYS 419 Ca 0.39 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.75 3kfa h LYS 419 Cb 0.52 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 3kfa h LYS 419 CO -0.16 0.36 -0.52 0.66 -1.08 0.00 0.00 179.45 178.72 3kfa h SER 420 N 0.00 0.00 -0.46 0.86 4.64 -1.63 -2.28 113.55 114.68 3kfa h SER 420 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kfa h SER 420 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3kfa h SER 420 CO 0.05 0.52 0.08 0.44 -0.87 0.00 0.00 176.83 177.04 3kfa h ASP 421 N 0.00 0.78 -0.61 4.97 3.32 -0.75 -2.08 116.42 122.05 3kfa h ASP 421 Ca -0.01 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3kfa h ASP 421 Cb 1.05 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 3kfa h ASP 421 CO 0.07 0.80 0.35 0.58 -1.72 0.00 0.00 179.24 179.31 3kfa h VAL 422 N 0.79 1.19 -0.26 -1.35 2.07 -0.81 0.60 116.25 118.49 3kfa h VAL 422 Ca 0.17 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3kfa h VAL 422 Cb 0.36 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3kfa h VAL 422 CO 0.01 0.21 -0.01 -0.25 0.02 0.00 0.00 177.57 177.54 3kfa h TRP 423 N 0.83 -0.04 -0.68 1.57 2.91 -1.19 -1.93 115.95 117.42 3kfa h TRP 423 Ca 0.22 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.23 3kfa h TRP 423 Cb 0.02 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 3kfa h TRP 423 CO -0.01 -0.05 0.30 0.00 -1.03 0.00 0.00 178.44 177.65 3kfa h ALA 424 N 1.23 1.25 -0.83 2.65 0.00 -1.02 -1.21 119.26 121.32 3kfa h ALA 424 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kfa h ALA 424 Cb 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kfa h ALA 424 CO -0.22 0.57 0.54 0.35 0.00 0.00 0.00 179.25 180.49 3kfa h PHE 425 N 0.98 0.94 -0.81 0.00 3.57 -0.36 0.37 116.94 121.63 3kfa h PHE 425 Ca 0.23 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 3kfa h PHE 425 Cb 0.14 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3kfa h PHE 425 CO 0.01 0.50 0.41 0.78 -2.23 0.00 0.00 178.31 177.79 3kfa h GLY 426 N 0.93 1.23 1.01 2.40 0.00 -0.47 0.16 103.07 108.33 3kfa h GLY 426 Ca 0.35 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3kfa h GLY 426 CO -0.12 0.56 0.16 -2.08 0.00 0.00 0.00 176.54 175.06 3kfa h VAL 427 N 1.13 1.25 -0.89 4.60 2.07 -0.94 -2.42 116.25 121.04 3kfa h VAL 427 Ca 0.28 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3kfa h VAL 427 Cb 0.08 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3kfa h VAL 427 CO -0.04 0.32 0.59 0.25 0.02 0.00 0.00 177.57 178.71 3kfa h LEU 428 N 0.83 0.95 -1.16 2.57 5.85 -0.43 0.29 115.31 124.21 3kfa h LEU 428 Ca 0.19 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3kfa h LEU 428 Cb 0.32 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3kfa h LEU 428 CO -0.00 0.65 0.57 -0.07 -0.34 0.00 0.00 178.44 179.25 3kfa h LEU 429 N 1.10 0.93 -0.46 2.25 3.38 -0.26 -0.21 115.31 122.04 3kfa h LEU 429 Ca 0.36 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 3kfa h LEU 429 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kfa h LEU 429 CO -0.11 0.64 -0.42 -0.25 0.09 0.00 0.00 178.44 178.38 3kfa h TRP 430 N 1.08 0.98 -0.70 1.13 7.01 -0.76 -0.38 115.95 124.31 3kfa h TRP 430 Ca 0.35 -0.30 0.04 0.00 2.11 0.00 0.00 58.89 61.09 3kfa h TRP 430 Cb 0.04 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 26.85 3kfa h TRP 430 CO -0.00 1.09 0.42 0.93 -2.79 0.00 0.00 178.44 178.09 3kfa h GLU 431 N 0.66 0.78 -0.34 2.65 5.08 -0.29 -1.75 114.58 121.36 3kfa h GLU 431 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3kfa h GLU 431 Cb 0.99 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3kfa h GLU 431 CO 0.10 0.52 0.04 0.82 -1.00 0.00 0.00 179.01 179.48 3kfa h ILE 432 N 0.81 1.24 0.00 3.13 2.04 -0.79 0.22 117.51 124.16 3kfa h ILE 432 Ca 0.30 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3kfa h ILE 432 Cb 0.09 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3kfa h ILE 432 CO -0.14 0.29 -0.09 0.00 0.00 0.00 0.00 178.15 178.21 3kfa h ALA 433 N 0.88 1.67 -0.68 1.87 0.00 -0.75 -2.03 119.26 120.22 3kfa h ALA 433 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kfa h ALA 433 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kfa h ALA 433 CO 0.01 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.63 3kfa n THR 434 N -4.17 1.05 -3.75 0.00 -2.24 -0.69 -4.86 114.28 99.63 3kfa n THR 434 Ca -0.03 -1.01 -0.28 0.00 -2.27 0.00 0.00 64.05 60.46 3kfa n THR 434 Cb 0.18 0.48 0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3kfa n THR 434 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kfa n TYR 435 N 1.45 -2.22 -0.65 4.78 4.01 -0.76 -3.42 117.16 120.35 3kfa n TYR 435 Ca 0.23 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.78 3kfa n TYR 435 Cb 0.61 -3.90 0.00 0.00 -0.31 0.00 0.00 39.34 35.74 3kfa n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kfa n GLY 436 N -1.61 1.31 3.77 2.72 0.00 0.73 -3.55 105.19 108.55 3kfa n GLY 436 Ca 0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3kfa n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kfa s MET 437 N -1.83 3.02 0.25 1.61 -1.94 -1.22 -4.90 119.30 114.28 3kfa s MET 437 Ca 0.00 1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 55.27 3kfa s MET 437 Cb 0.00 -1.96 -0.09 0.00 2.01 0.00 0.00 34.83 34.79 3kfa s MET 437 CO 0.00 -1.11 1.21 0.45 -0.01 0.00 0.00 175.02 175.56 3kfa s SER 438 N -2.03 7.04 0.88 3.03 0.15 -1.26 -4.74 113.70 116.77 3kfa s SER 438 Ca 0.72 2.37 -0.12 0.00 0.70 0.00 0.00 55.95 59.62 3kfa s SER 438 Cb -0.24 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.56 3kfa s SER 438 CO 0.34 -0.36 1.10 -2.84 1.20 0.00 0.00 173.24 172.68 3kfa s PRO 439 N -0.93 1.44 -1.27 5.44 0.02 -1.26 -4.06 135.00 134.39 3kfa s PRO 439 Ca 0.50 0.62 -0.21 0.00 0.02 0.00 0.00 61.00 61.93 3kfa s PRO 439 Cb -0.35 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3kfa s PRO 439 CO 0.42 -2.07 0.58 0.66 -0.33 0.00 0.00 177.00 176.26 3kfa n TYR 440 N -3.73 -1.56 -1.66 6.54 4.02 -1.26 -4.75 117.16 114.76 3kfa n TYR 440 Ca 0.07 0.35 -0.51 0.00 -0.01 0.00 0.00 57.90 57.80 3kfa n TYR 440 Cb 0.57 -3.12 -0.05 0.00 -0.02 0.00 0.00 39.34 36.71 3kfa n TYR 440 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3kfa n PRO 441 N -4.65 1.70 -0.96 -0.72 -0.04 -1.26 -1.67 135.00 127.41 3kfa n PRO 441 Ca -0.17 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3kfa n PRO 441 Cb 0.61 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3kfa n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kfa n GLY 442 N 3.66 0.87 3.70 0.55 0.00 -1.26 -5.00 105.19 107.71 3kfa n GLY 442 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3kfa n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfa s ILE 443 N -3.57 5.24 0.43 -0.61 1.01 -0.67 -5.06 121.20 117.96 3kfa s ILE 443 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.12 3kfa s ILE 443 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 3kfa s ILE 443 CO 0.00 0.32 1.25 -1.81 0.00 0.00 0.00 174.94 174.70 3kfa s ASP 444 N 0.73 6.22 0.46 3.58 1.01 -1.26 -4.91 116.67 122.49 3kfa s ASP 444 Ca 0.20 2.53 0.19 0.00 0.71 0.00 0.00 52.55 56.18 3kfa s ASP 444 Cb -0.14 -2.63 1.16 0.00 1.01 0.00 0.00 42.92 42.33 3kfa s ASP 444 CO 0.07 -0.90 1.93 -0.07 0.21 0.00 0.00 175.17 176.41 3kfa h LEU 445 N 2.42 0.27 -1.50 1.23 3.38 -1.97 -1.73 115.31 117.41 3kfa h LEU 445 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kfa h LEU 445 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kfa h LEU 445 CO 0.61 0.14 0.00 0.77 0.09 0.00 0.00 178.44 180.05 3kfa h SER 446 N 0.29 0.00 0.00 -0.43 4.64 -2.04 -2.90 113.55 113.11 3kfa h SER 446 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3kfa h SER 446 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3kfa h SER 446 CO -0.09 0.00 -0.97 0.00 -0.87 0.00 0.00 176.83 174.90 3kfa n GLN 447 N -2.69 1.25 -0.04 4.77 1.13 -0.65 -4.68 117.38 116.48 3kfa n GLN 447 Ca 0.00 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 54.93 3kfa n GLN 447 Cb 0.19 -1.32 -0.04 0.00 0.11 0.00 0.00 30.24 29.19 3kfa n GLN 447 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kfa h VAL 448 N 0.00 1.05 -0.28 5.09 2.07 -1.53 -1.78 116.25 120.86 3kfa h VAL 448 Ca 0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3kfa h VAL 448 Cb 0.47 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3kfa h VAL 448 CO 0.00 0.05 0.14 0.22 0.02 0.00 0.00 177.57 178.00 3kfa h TYR 449 N 0.25 0.40 -0.76 1.57 3.20 -1.83 -0.64 116.97 119.16 3kfa h TYR 449 Ca 0.07 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3kfa h TYR 449 Cb -0.03 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 3kfa h TYR 449 CO -0.06 0.35 0.46 0.93 -1.64 0.00 0.00 178.16 178.20 3kfa h GLU 450 N 0.33 0.81 -0.31 1.82 5.08 -1.82 -0.08 114.58 120.42 3kfa h GLU 450 Ca 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3kfa h GLU 450 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3kfa h GLU 450 CO -0.01 0.54 0.03 -0.07 -1.00 0.00 0.00 179.01 178.49 3kfa h LEU 451 N 0.84 0.51 -1.21 1.33 3.38 -1.00 -2.53 115.31 116.63 3kfa h LEU 451 Ca 0.34 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kfa h LEU 451 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3kfa h LEU 451 CO -0.17 0.67 0.54 -0.07 0.09 0.00 0.00 178.44 179.49 3kfa h LEU 452 N 0.34 0.92 -1.50 1.67 3.38 -0.61 -1.15 115.31 118.36 3kfa h LEU 452 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kfa h LEU 452 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kfa h LEU 452 CO 0.01 0.66 -0.17 -0.08 0.09 0.00 0.00 178.44 178.95 3kfa h GLU 453 N 1.08 0.00 -0.02 1.13 4.81 -0.80 -0.30 114.58 120.48 3kfa h GLU 453 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3kfa h GLU 453 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3kfa h GLU 453 CO -0.07 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.01 3kfa n LYS 454 N -3.48 1.34 -0.88 1.92 5.02 -0.60 -4.91 118.16 116.58 3kfa n LYS 454 Ca -0.01 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 3kfa n LYS 454 Cb 0.34 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3kfa n LYS 454 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kfa n ASP 455 N -0.38 -2.64 -4.76 4.39 2.03 -0.12 -5.04 116.55 110.02 3kfa n ASP 455 Ca 0.21 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.11 3kfa n ASP 455 Cb 0.23 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 3kfa n ASP 455 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3kfa s TYR 456 N -2.00 3.05 0.04 -0.67 5.04 -0.54 -4.99 117.35 117.28 3kfa s TYR 456 Ca 0.00 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3kfa s TYR 456 Cb 0.00 -3.72 -0.03 0.00 0.35 0.00 0.00 41.96 38.56 3kfa s TYR 456 CO 0.00 -2.13 0.01 1.03 -1.34 0.00 0.00 175.55 173.12 3kfa s ARG 457 N -1.20 0.52 0.47 4.97 1.81 -1.26 -4.19 118.95 120.06 3kfa s ARG 457 Ca 0.53 -0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 53.40 3kfa s ARG 457 Cb -0.40 0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 3kfa s ARG 457 CO 0.49 -0.10 1.15 -1.33 -0.68 0.00 0.00 175.30 174.82 3kfa n MET 458 N 0.74 1.54 -1.48 3.54 2.81 -1.26 -4.97 117.12 118.04 3kfa n MET 458 Ca -0.18 0.56 -0.31 0.00 -1.81 0.00 0.00 57.70 55.95 3kfa n MET 458 Cb 0.59 -2.26 0.07 0.00 -0.71 0.00 0.00 33.22 30.90 3kfa n MET 458 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3kfa s GLU 459 N -2.31 2.64 0.07 0.03 0.41 -1.26 -4.98 118.70 113.30 3kfa s GLU 459 Ca 0.65 1.11 -0.31 0.00 -0.41 0.00 0.00 54.97 56.01 3kfa s GLU 459 Cb -0.50 -1.95 -0.08 0.00 -1.78 0.00 0.00 34.13 29.82 3kfa s GLU 459 CO 0.55 -1.34 1.67 0.50 -0.49 0.00 0.00 175.26 176.14 3kfa s ARG 460 N -4.83 4.19 0.58 1.61 3.52 -1.26 -4.96 118.95 117.79 3kfa s ARG 460 Ca 0.61 2.34 -0.19 0.00 -0.13 0.00 0.00 55.73 58.35 3kfa s ARG 460 Cb -0.16 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3kfa s ARG 460 CO 0.53 -0.75 1.20 -2.14 -0.81 0.00 0.00 175.30 173.33 3kfa s PRO 461 N 2.73 3.09 0.17 5.12 0.02 -1.26 -4.92 135.00 139.95 3kfa s PRO 461 Ca 0.74 1.80 -0.34 0.00 0.02 0.00 0.00 61.00 63.22 3kfa s PRO 461 Cb -0.40 -1.98 -0.14 0.00 0.02 0.00 0.00 34.50 32.00 3kfa s PRO 461 CO 0.32 -1.10 1.45 -1.91 -0.33 0.00 0.00 177.00 175.44 3kfa n GLU 462 N -1.46 1.84 -0.09 5.54 4.07 -1.26 -1.46 120.64 127.81 3kfa n GLU 462 Ca 0.13 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3kfa n GLU 462 Cb 0.50 -2.35 0.00 0.00 -0.06 0.00 0.00 31.44 29.52 3kfa n GLU 462 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kfa n GLY 463 N 2.82 2.01 3.69 8.31 0.00 -1.26 -4.98 105.19 115.78 3kfa n GLY 463 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kfa n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfa n PRO 465 N 4.79 2.03 -0.35 0.00 -0.02 -1.26 -4.82 135.00 135.35 3kfa n PRO 465 Ca 0.09 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 3kfa n PRO 465 Cb 0.47 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.69 3kfa n PRO 465 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kfa h GLU 466 N 2.18 1.18 -0.45 -0.52 4.39 -1.99 -1.24 114.58 118.12 3kfa h GLU 466 Ca -0.48 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.10 3kfa h GLU 466 Cb 1.29 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 3kfa h GLU 466 CO 0.60 0.78 0.11 0.87 -1.16 0.00 0.00 179.01 180.21 3kfa h LYS 467 N 1.21 0.68 -0.25 2.33 1.57 -1.99 0.71 116.57 120.84 3kfa h LYS 467 Ca 0.39 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 3kfa h LYS 467 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kfa h LYS 467 CO -0.13 0.62 -0.53 0.28 -0.57 0.00 0.00 179.45 179.13 3kfa h VAL 468 N 0.66 1.29 -0.80 0.50 2.07 -1.68 -2.23 116.25 116.06 3kfa h VAL 468 Ca 0.15 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 3kfa h VAL 468 Cb 0.25 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3kfa h VAL 468 CO -0.00 0.55 0.36 0.22 0.02 0.00 0.00 177.57 178.72 3kfa h TYR 469 N 0.55 1.17 -0.98 1.57 3.20 -0.83 -1.01 116.97 120.62 3kfa h TYR 469 Ca 0.00 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.89 3kfa h TYR 469 Cb 1.14 -0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.98 3kfa h TYR 469 CO 0.08 0.86 0.63 0.93 -1.64 0.00 0.00 178.16 179.02 3kfa h GLU 470 N 1.14 1.08 -0.58 1.82 5.08 -0.76 -0.31 114.58 122.05 3kfa h GLU 470 Ca 0.27 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3kfa h GLU 470 Cb 0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kfa h GLU 470 CO -0.03 0.72 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.60 3kfa h LEU 471 N 1.11 1.02 -0.42 1.33 3.38 -0.77 -0.76 115.31 120.22 3kfa h LEU 471 Ca 0.44 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3kfa h LEU 471 Cb 0.23 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3kfa h LEU 471 CO -0.18 1.09 0.11 0.24 0.09 0.00 0.00 178.44 179.79 3kfa h MET 472 N 0.93 0.25 -0.21 1.13 2.86 -0.37 -0.93 114.93 118.59 3kfa h MET 472 Ca 0.16 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3kfa h MET 472 Cb 0.58 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3kfa h MET 472 CO 0.03 0.17 -0.18 0.00 1.06 0.00 0.00 176.91 177.99 3kfa h ARG 473 N 0.26 0.37 -0.64 1.72 2.47 -0.75 -1.65 114.38 116.15 3kfa h ARG 473 Ca 0.20 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3kfa h ARG 473 Cb 0.22 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 3kfa h ARG 473 CO -0.23 0.55 0.13 0.00 0.56 0.00 0.00 179.97 180.98 3kfa h ALA 474 N 1.47 0.85 0.00 0.04 0.00 -0.70 -2.56 119.26 118.37 3kfa h ALA 474 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kfa h ALA 474 Cb 0.52 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kfa h ALA 474 CO 0.03 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 3kfa n TRP 476 N -3.76 2.19 -1.77 0.00 8.01 -0.69 -3.69 117.44 117.73 3kfa n TRP 476 Ca -0.02 -1.16 -0.41 0.00 -1.31 0.00 0.00 57.50 54.59 3kfa n TRP 476 Cb 0.20 -0.63 -0.00 0.00 -2.01 0.00 0.00 31.31 28.87 3kfa n TRP 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3kfa n GLN 477 N -0.20 2.64 -0.02 -0.99 1.13 -1.00 -4.91 117.38 114.04 3kfa n GLN 477 Ca 0.38 0.93 -0.11 0.00 -1.94 0.00 0.00 57.00 56.25 3kfa n GLN 477 Cb 1.30 -2.66 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 3kfa n GLN 477 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 3kfa h TRP 478 N 3.17 0.16 -3.07 1.08 2.91 -1.92 -3.40 115.95 114.88 3kfa h TRP 478 Ca -0.50 -0.00 -0.57 0.00 1.13 0.00 0.00 58.89 58.94 3kfa h TRP 478 Cb 1.24 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.79 3kfa h TRP 478 CO 0.53 0.18 0.78 1.21 -1.03 0.00 0.00 178.44 180.12 3kfa s ASN 479 N -5.39 7.08 0.45 2.65 3.84 -1.26 -4.86 114.94 117.45 3kfa s ASN 479 Ca -0.13 1.50 0.16 0.00 0.21 0.00 0.00 52.86 54.59 3kfa s ASN 479 Cb 0.07 -2.54 1.09 0.00 -0.55 0.00 0.00 41.25 39.32 3kfa s ASN 479 CO 0.68 -0.65 1.98 1.55 -2.79 0.00 0.00 177.10 177.87 3kfa h PRO 480 N 7.57 0.33 0.00 0.43 0.13 -1.95 0.09 132.00 138.60 3kfa h PRO 480 Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3kfa h PRO 480 Cb 1.09 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3kfa h PRO 480 CO 0.95 0.22 0.00 0.77 -0.23 0.00 0.00 178.00 179.71 3kfa h SER 481 N 0.34 0.00 0.56 1.44 0.02 -1.94 -2.00 113.55 111.97 3kfa h SER 481 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3kfa h SER 481 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3kfa h SER 481 CO -0.07 0.00 -0.27 0.47 -1.14 0.00 0.00 176.83 175.82 3kfa n ASP 482 N -2.84 0.43 -4.80 3.07 8.00 0.02 -4.88 116.55 115.54 3kfa n ASP 482 Ca -0.00 -0.21 -0.35 0.00 0.71 0.00 0.00 54.79 54.94 3kfa n ASP 482 Cb 0.20 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 3kfa n ASP 482 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kfa s ARG 483 N -2.84 4.36 0.84 -1.24 0.52 -0.75 -4.90 118.95 114.94 3kfa s ARG 483 Ca 0.17 1.12 -0.10 0.00 -0.52 0.00 0.00 55.73 56.39 3kfa s ARG 483 Cb 0.19 -2.60 0.10 0.00 0.52 0.00 0.00 34.95 33.15 3kfa s ARG 483 CO 0.59 0.20 1.11 -1.25 0.02 0.00 0.00 175.30 175.97 3kfa s PRO 484 N -2.45 1.69 0.72 3.54 0.04 -1.26 -5.03 135.00 132.25 3kfa s PRO 484 Ca 0.53 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3kfa s PRO 484 Cb -0.15 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.59 3kfa s PRO 484 CO 0.20 -2.08 1.08 -1.54 0.04 0.00 0.00 177.00 174.70 3kfa s SER 485 N -3.11 5.22 0.38 6.66 1.04 -1.26 -4.92 113.70 117.71 3kfa s SER 485 Ca 0.63 1.31 0.16 0.00 0.48 0.00 0.00 55.95 58.54 3kfa s SER 485 Cb -0.19 -2.14 0.78 0.00 0.10 0.00 0.00 66.02 64.57 3kfa s SER 485 CO 0.57 -1.51 1.83 -0.26 0.98 0.00 0.00 173.24 174.85 3kfa h PHE 486 N -0.77 0.00 -0.53 5.02 -1.00 -1.94 -0.94 116.94 116.79 3kfa h PHE 486 Ca -0.45 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.36 3kfa h PHE 486 Cb 1.24 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.76 3kfa h PHE 486 CO 0.53 0.36 0.30 0.00 -1.61 0.00 0.00 178.31 177.89 3kfa h ALA 487 N 1.64 0.68 -0.39 2.45 0.00 -1.89 0.11 119.26 121.87 3kfa h ALA 487 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kfa h ALA 487 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kfa h ALA 487 CO 0.05 -0.01 0.04 0.93 0.00 0.00 0.00 179.25 180.26 3kfa h GLU 488 N 0.59 0.65 -0.20 0.00 5.08 -1.84 -2.16 114.58 116.70 3kfa h GLU 488 Ca 0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kfa h GLU 488 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kfa h GLU 488 CO -0.12 0.72 0.13 0.82 -1.00 0.00 0.00 179.01 179.56 3kfa h ILE 489 N 0.49 1.05 -0.72 3.13 2.04 -0.94 -1.85 117.51 120.71 3kfa h ILE 489 Ca 0.11 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3kfa h ILE 489 Cb 0.40 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3kfa h ILE 489 CO 0.01 0.05 0.44 -0.74 0.00 0.00 0.00 178.15 177.91 3kfa h HIS 490 N 0.27 0.94 -0.79 1.37 2.76 -0.70 -0.92 115.15 118.09 3kfa h HIS 490 Ca 0.07 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3kfa h HIS 490 Cb -0.03 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.58 3kfa h HIS 490 CO -0.06 0.63 0.46 0.37 -1.30 0.00 0.00 177.93 178.02 3kfa h GLN 491 N 0.98 1.08 -0.43 5.26 5.75 -1.19 0.12 115.11 126.68 3kfa h GLN 491 Ca 0.26 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3kfa h GLN 491 Cb -0.04 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 3kfa h GLN 491 CO -0.05 0.77 0.24 0.00 -2.65 0.00 0.00 178.83 177.15 3kfa h ALA 492 N 1.24 0.56 -0.37 3.38 0.00 -0.87 -2.10 119.26 121.10 3kfa h ALA 492 Ca 0.28 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3kfa h ALA 492 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kfa h ALA 492 CO -0.05 0.08 -0.36 0.74 0.00 0.00 0.00 179.25 179.65 3kfa h PHE 493 N 0.57 1.03 -0.82 0.00 0.04 -0.82 -1.96 116.94 114.98 3kfa h PHE 493 Ca 0.15 -0.30 0.04 0.00 2.80 0.00 0.00 57.97 60.66 3kfa h PHE 493 Cb 0.05 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.93 3kfa h PHE 493 CO -0.02 1.10 0.52 1.49 -0.60 0.00 0.00 178.31 180.80 3kfa h GLU 494 N 0.72 0.98 -0.24 1.51 4.57 -0.66 0.18 114.58 121.64 3kfa h GLU 494 Ca 0.06 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3kfa h GLU 494 Cb 0.94 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3kfa h GLU 494 CO 0.09 0.65 0.12 1.15 -1.18 0.00 0.00 179.01 179.83 3kfa h THR 495 N 1.01 1.14 -0.61 0.32 2.02 -1.20 -0.97 112.91 114.63 3kfa h THR 495 Ca 0.33 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3kfa h THR 495 Cb 0.03 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3kfa h THR 495 CO -0.12 0.14 0.12 0.24 0.37 0.00 0.00 175.52 176.27 3kfa h MET 496 N 0.26 0.97 -0.45 6.66 2.86 -0.90 -2.44 114.93 121.90 3kfa h MET 496 Ca 0.08 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3kfa h MET 496 Cb 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3kfa h MET 496 CO -0.01 0.88 0.14 0.35 1.06 0.00 0.00 176.91 179.34 3kfa h PHE 497 N 0.92 0.72 -0.66 -0.22 3.04 -0.42 -0.80 116.94 119.52 3kfa h PHE 497 Ca 0.19 -0.07 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 3kfa h PHE 497 Cb 0.37 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 3kfa h PHE 497 CO 0.02 0.64 0.21 1.96 -2.02 0.00 0.00 178.31 179.12 3kfa h GLN 498 N 0.59 1.00 -0.25 1.11 1.08 -1.03 0.80 115.11 118.40 3kfa h GLN 498 Ca 0.15 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3kfa h GLN 498 Cb 0.26 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3kfa h GLN 498 CO -0.01 0.86 0.05 0.93 -0.95 0.00 0.00 178.83 179.72 3kfa h GLU 499 N 0.97 0.41 -0.53 1.46 5.08 -1.24 -2.19 114.58 118.55 3kfa h GLU 499 Ca 0.22 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3kfa h GLU 499 Cb 0.27 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3kfa h GLU 499 CO -0.01 0.53 0.22 1.03 -1.00 0.00 0.00 179.01 179.78 3kfa h SER 500 N 0.23 0.69 -0.71 1.42 0.87 -0.90 -2.68 113.55 112.47 3kfa h SER 500 Ca 0.08 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3kfa h SER 500 Cb 0.31 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3kfa h SER 500 CO 0.00 0.62 0.21 0.28 -0.53 0.00 0.00 176.83 177.41 3kfa h SER 501 N 0.76 1.05 -0.17 6.23 0.02 -0.65 -0.19 113.55 120.59 3kfa h SER 501 Ca 0.18 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3kfa h SER 501 Cb 0.14 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3kfa h SER 501 CO -0.02 0.99 0.04 0.40 -1.14 0.00 0.00 176.83 177.10 3kfa h ILE 502 N 1.06 0.93 -0.71 3.27 2.04 -1.07 0.89 117.51 123.91 3kfa h ILE 502 Ca 0.23 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 3kfa h ILE 502 Cb 0.32 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3kfa h ILE 502 CO -0.00 0.02 0.26 0.28 0.00 0.00 0.00 178.15 178.70 3kfa h SER 503 N 0.11 0.99 -0.39 1.72 0.02 -1.26 -1.94 113.55 112.81 3kfa h SER 503 Ca 0.08 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3kfa h SER 503 Cb 0.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3kfa h SER 503 CO -0.10 0.90 -0.01 -0.78 -1.14 0.00 0.00 176.83 175.70 3kfa h ASP 504 N 1.04 0.68 -0.45 3.07 1.82 -0.64 -1.44 116.42 120.50 3kfa h ASP 504 Ca 0.24 -0.32 -0.06 0.00 -0.39 0.00 0.00 57.03 56.50 3kfa h ASP 504 Cb 0.24 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 3kfa h ASP 504 CO -0.02 0.83 0.09 -0.33 -1.61 0.00 0.00 179.24 178.21 3kfa h GLU 505 N 0.51 0.80 -0.33 0.28 4.39 -0.64 -0.17 114.58 119.42 3kfa h GLU 505 Ca 0.11 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3kfa h GLU 505 Cb 0.49 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3kfa h GLU 505 CO 0.02 0.74 -0.11 0.28 -1.16 0.00 0.00 179.01 178.78 3kfa h VAL 506 N 0.76 1.28 -0.52 3.13 2.07 -1.20 -1.62 116.25 120.16 3kfa h VAL 506 Ca 0.16 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3kfa h VAL 506 Cb 0.33 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3kfa h VAL 506 CO 0.00 0.39 0.11 -0.33 0.02 0.00 0.00 177.57 177.76 3kfa h GLU 507 N 0.43 0.80 -0.57 1.57 5.08 -0.95 -1.55 114.58 119.39 3kfa h GLU 507 Ca 0.08 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3kfa h GLU 507 Cb 0.62 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kfa h GLU 507 CO 0.04 0.73 -0.03 0.87 -1.00 0.00 0.00 179.01 179.62 3kfa h LYS 508 N 0.77 1.03 -0.57 2.33 1.57 -0.93 -3.17 116.57 117.60 3kfa h LYS 508 Ca 0.17 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3kfa h LYS 508 Cb 0.30 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3kfa h LYS 508 CO 0.00 1.03 0.05 1.49 -0.57 0.00 0.00 179.45 181.46 3kfa h GLU 509 N 0.91 0.97 -6.16 3.15 4.57 -0.79 -3.38 114.58 113.85 3kfa h GLU 509 Ca 0.16 -0.28 -0.58 0.00 -1.18 0.00 0.00 59.36 57.47 3kfa h GLU 509 Cb 0.59 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3kfa h GLU 509 CO 0.04 0.95 1.36 -0.51 -1.18 0.00 0.00 179.01 179.66 3kfa s LEU 510 N -9.44 3.49 0.00 1.64 1.43 -0.63 -5.11 118.68 110.07 3kfa s LEU 510 Ca -0.12 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3kfa s LEU 510 Cb 0.13 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3kfa s LEU 510 CO 0.83 -1.79 0.00 0.61 0.23 0.00 0.00 176.35 176.23