#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wft n ASN 215 N 0.00 0.00 -4.69 4.39 3.02 -1.26 -5.14 115.26 111.57 2wft n ASN 215 Ca 0.00 -0.70 -0.29 0.00 -0.03 0.00 0.00 54.58 53.56 2wft n ASN 215 Cb 0.00 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 2wft n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wft s PHE 217 N -2.98 2.68 0.34 0.00 0.08 0.85 -4.63 117.98 114.33 2wft s PHE 217 Ca 0.65 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 57.28 2wft s PHE 217 Cb -0.18 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.43 2wft s PHE 217 CO 0.57 0.24 0.08 0.00 -0.10 0.00 0.00 175.22 176.01 2wft s ILE 219 N -3.33 1.67 -0.13 0.00 1.09 0.19 -1.15 121.20 119.54 2wft s ILE 219 Ca 0.33 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 2wft s ILE 219 Cb 0.07 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 40.00 2wft s ILE 219 CO 0.15 0.47 -0.14 -1.58 -0.10 0.00 0.00 174.94 173.74 2wft s GLN 220 N 0.38 3.36 0.28 2.79 2.00 -0.06 -2.17 119.66 126.25 2wft s GLN 220 Ca -0.15 -0.70 -0.29 0.00 -2.00 0.00 0.00 55.36 52.22 2wft s GLN 220 Cb -0.16 -2.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.94 2wft s GLN 220 CO 0.06 0.21 1.21 -2.00 -0.50 0.00 0.00 175.29 174.27 2wft s GLU 221 N 0.36 4.49 -0.04 1.67 2.12 -1.26 -0.51 118.70 125.52 2wft s GLU 221 Ca -0.11 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.22 2wft s GLU 221 Cb -0.16 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 2wft s GLU 221 CO 0.06 -0.02 -0.04 0.28 -0.54 0.00 0.00 175.26 175.00 2wft n VAL 222 N 1.28 0.23 -3.75 3.70 0.31 0.10 -4.88 118.33 115.33 2wft n VAL 222 Ca 0.00 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 2wft n VAL 222 Cb 0.43 -0.65 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 2wft n VAL 222 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wft s VAL 223 N -2.08 0.09 0.08 2.52 -7.23 -1.14 -5.02 120.40 107.62 2wft s VAL 223 Ca -0.05 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2wft s VAL 223 Cb 0.01 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 2wft s VAL 223 CO 0.09 -0.39 0.05 -1.54 -0.31 0.00 0.00 175.10 173.00 2wft n SER 224 N -0.19 0.46 -0.27 4.85 3.41 -1.26 -1.54 113.62 119.08 2wft n SER 224 Ca -0.14 -1.49 -0.04 0.00 -0.26 0.00 0.00 58.87 56.95 2wft n SER 224 Cb 0.63 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 2wft n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wft n GLY 225 N 0.80 0.64 3.87 5.00 0.00 -1.00 -4.92 105.19 109.58 2wft n GLY 225 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2wft n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wft s LEU 226 N -0.81 3.56 -0.49 0.99 1.43 -0.68 -4.68 118.68 118.00 2wft s LEU 226 Ca 0.00 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 2wft s LEU 226 Cb 0.00 -4.25 0.09 0.00 0.03 0.00 0.00 46.19 42.06 2wft s LEU 226 CO 0.00 -0.62 0.42 -0.13 0.23 0.00 0.00 176.35 176.24 2wft s ARG 227 N -4.48 2.97 -0.64 1.70 0.52 -1.26 -0.52 118.95 117.25 2wft s ARG 227 Ca 0.53 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 2wft s ARG 227 Cb -0.10 -4.16 0.02 0.00 0.52 0.00 0.00 34.95 31.22 2wft s ARG 227 CO 0.41 -1.10 0.56 1.04 0.02 0.00 0.00 175.30 176.23 2wft n GLN 228 N 5.20 -1.50 -2.28 3.54 6.02 -1.26 -3.77 117.38 123.33 2wft n GLN 228 Ca -0.13 0.86 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 2wft n GLN 228 Cb 0.43 -1.92 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 2wft n GLN 228 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wft s PRO 229 N -3.89 3.78 0.00 -1.09 0.04 -1.26 -1.32 135.00 131.25 2wft s PRO 229 Ca 0.11 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2wft s PRO 229 Cb -0.01 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2wft s PRO 229 CO 0.80 -0.53 0.05 1.33 0.04 0.00 0.00 177.00 178.69 2wft n VAL 230 N -0.47 0.00 0.00 -0.36 0.24 -0.14 -4.68 118.33 112.91 2wft n VAL 230 Ca 0.07 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2wft n VAL 230 Cb 0.48 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 2wft n VAL 230 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wft n GLY 231 N 0.66 -0.11 3.43 7.63 0.00 -1.24 -4.31 105.19 111.25 2wft n GLY 231 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 2wft n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wft s ALA 232 N -2.00 -1.33 0.24 4.61 0.00 -1.05 -0.55 121.76 121.68 2wft s ALA 232 Ca 0.00 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 2wft s ALA 232 Cb 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.40 2wft s ALA 232 CO 0.00 -0.27 0.61 -0.48 0.00 0.00 0.00 175.76 175.62 2wft s LEU 233 N 0.04 -0.06 0.53 0.00 2.34 0.00 -1.98 118.68 119.56 2wft s LEU 233 Ca -0.02 -0.61 0.07 0.00 0.06 0.00 0.00 54.13 53.63 2wft s LEU 233 Cb -0.04 2.35 0.04 0.00 -0.56 0.00 0.00 46.19 47.99 2wft s LEU 233 CO 0.02 -1.20 0.53 -1.38 -1.06 0.00 0.00 176.35 173.26 2wft s HIS 234 N -3.92 1.75 -0.31 3.48 -3.43 -1.23 0.75 115.29 112.38 2wft s HIS 234 Ca 0.13 -0.74 0.10 0.00 -0.80 0.00 0.00 55.06 53.75 2wft s HIS 234 Cb -0.03 -2.07 0.25 0.00 -1.43 0.00 0.00 32.58 29.31 2wft s HIS 234 CO 0.04 -0.65 1.19 -1.13 -2.00 0.00 0.00 174.74 172.19 2wft n SER 235 N -1.89 2.71 -1.30 7.38 3.41 -1.26 -4.81 113.62 117.85 2wft n SER 235 Ca 0.05 -2.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.11 2wft n SER 235 Cb 0.63 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2wft n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wft n GLY 236 N -0.44 1.03 1.71 5.00 0.00 -1.26 -4.68 105.19 106.57 2wft n GLY 236 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2wft n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wft n ASP 237 N -0.24 5.19 0.00 1.61 5.68 -1.26 -4.80 116.55 122.73 2wft n ASP 237 Ca -0.11 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 51.52 2wft n ASP 237 Cb 0.36 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 2wft n ASP 237 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wft n GLY 238 N 0.91 1.80 0.04 6.12 0.00 -1.26 -4.89 105.19 107.90 2wft n GLY 238 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2wft n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wft n SER 239 N 0.00 0.60 -1.06 1.61 3.41 -1.18 -1.64 113.62 115.35 2wft n SER 239 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 2wft n SER 239 Cb 0.00 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2wft n SER 239 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wft n GLN 240 N -1.88 -1.38 -2.08 4.33 6.02 -1.26 -4.69 117.38 116.44 2wft n GLN 240 Ca 0.04 0.97 -0.36 0.00 -0.01 0.00 0.00 57.00 57.64 2wft n GLN 240 Cb 0.40 -5.25 0.02 0.00 1.02 0.00 0.00 30.24 26.43 2wft n GLN 240 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wft s ARG 241 N -3.11 3.27 -0.14 -1.09 0.52 -1.26 -3.96 118.95 113.17 2wft s ARG 241 Ca 0.00 1.85 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 2wft s ARG 241 Cb 0.00 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.37 2wft s ARG 241 CO 0.00 -0.98 -0.20 -1.17 0.02 0.00 0.00 175.30 172.98 2wft s LEU 242 N -3.66 2.00 -0.26 2.53 2.96 -0.43 -4.44 118.68 117.38 2wft s LEU 242 Ca 0.72 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 2wft s LEU 242 Cb -0.31 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2wft s LEU 242 CO 0.35 0.04 0.36 -0.36 -1.32 0.00 0.00 176.35 175.42 2wft s PHE 243 N 0.99 3.26 -0.25 5.38 0.40 0.23 -1.16 117.98 126.82 2wft s PHE 243 Ca -0.04 0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2wft s PHE 243 Cb -0.15 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.80 2wft s PHE 243 CO -0.05 -0.20 0.08 0.42 0.70 0.00 0.00 175.22 176.17 2wft s ILE 244 N 1.95 4.34 -0.05 0.64 1.01 0.06 -0.82 121.20 128.33 2wft s ILE 244 Ca 0.15 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 2wft s ILE 244 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2wft s ILE 244 CO 0.10 0.32 0.72 -0.76 0.00 0.00 0.00 174.94 175.31 2wft s LEU 245 N 1.62 4.34 -0.08 2.97 1.02 0.28 -1.10 118.68 127.73 2wft s LEU 245 Ca 0.06 1.24 0.01 0.00 0.02 0.00 0.00 54.13 55.46 2wft s LEU 245 Cb -0.15 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 42.91 2wft s LEU 245 CO 0.04 -0.10 -0.08 -1.61 0.02 0.00 0.00 176.35 174.62 2wft s GLU 246 N 0.68 2.87 0.21 1.70 2.02 0.32 -0.97 118.70 125.54 2wft s GLU 246 Ca 0.38 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.72 2wft s GLU 246 Cb -0.18 -2.60 0.17 0.00 0.10 0.00 0.00 34.13 31.62 2wft s GLU 246 CO 0.19 0.57 1.75 -0.22 0.02 0.00 0.00 175.26 177.57 2wft h LYS 247 N 5.56 1.13 0.00 1.61 3.64 -1.30 -1.16 116.57 126.05 2wft h LYS 247 Ca -0.44 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 2wft h LYS 247 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2wft h LYS 247 CO 0.53 0.97 0.00 0.93 -2.27 0.00 0.00 179.45 179.61 2wft h GLU 248 N 1.09 0.00 0.00 1.90 5.08 -1.84 0.29 114.58 121.09 2wft h GLU 248 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2wft h GLU 248 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wft h GLU 248 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 2wft n GLY 249 N -1.24 0.89 3.16 -3.84 0.00 -0.50 -4.33 105.19 99.33 2wft n GLY 249 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2wft n GLY 249 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wft s TYR 250 N -1.47 1.29 -0.22 1.61 2.02 -0.85 -1.51 117.35 118.23 2wft s TYR 250 Ca 0.00 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2wft s TYR 250 Cb 0.00 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 2wft s TYR 250 CO 0.00 0.05 -0.10 0.08 -1.57 0.00 0.00 175.55 174.01 2wft s VAL 251 N -0.94 2.75 0.10 0.71 1.01 -0.33 0.12 120.40 123.82 2wft s VAL 251 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2wft s VAL 251 Cb -0.08 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2wft s VAL 251 CO 0.02 0.35 0.22 -0.54 0.00 0.00 0.00 175.10 175.14 2wft s LYS 252 N 1.35 3.37 -0.17 2.72 1.02 -0.26 -0.29 119.74 127.48 2wft s LYS 252 Ca 0.03 -0.53 -0.08 0.00 0.02 0.00 0.00 55.97 55.40 2wft s LYS 252 Cb -0.15 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2wft s LYS 252 CO -0.07 0.57 0.11 0.42 -0.92 0.00 0.00 175.35 175.47 2wft s ILE 253 N -1.59 5.26 -0.17 2.17 1.01 -1.26 -0.76 121.20 125.85 2wft s ILE 253 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2wft s ILE 253 Cb -0.12 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2wft s ILE 253 CO 0.27 0.50 -0.16 -0.22 0.00 0.00 0.00 174.94 175.34 2wft s LEU 254 N -0.04 2.41 0.67 2.97 2.96 -0.31 -1.82 118.68 125.51 2wft s LEU 254 Ca 0.09 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2wft s LEU 254 Cb -0.12 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2wft s LEU 254 CO 0.00 0.05 1.05 0.42 -1.32 0.00 0.00 176.35 176.55 2wft s THR 255 N 1.03 4.27 0.48 3.68 -4.23 0.25 -1.31 115.64 119.81 2wft s THR 255 Ca -0.01 0.74 0.35 0.00 -1.18 0.00 0.00 61.69 61.58 2wft s THR 255 Cb -0.15 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.45 2wft s THR 255 CO -0.04 -0.96 2.19 -0.65 -0.54 0.00 0.00 174.62 174.62 2wft h PRO 256 N -0.54 0.00 0.00 3.99 0.11 -1.87 0.62 132.00 134.31 2wft h PRO 256 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2wft h PRO 256 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wft h PRO 256 CO 0.60 0.04 -0.14 0.93 -0.21 0.00 0.00 178.00 179.22 2wft h GLU 257 N 0.00 0.00 0.00 1.05 4.39 -1.93 -3.48 114.58 114.60 2wft h GLU 257 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wft h GLU 257 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2wft h GLU 257 CO 0.01 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 2wft n GLY 258 N 1.13 1.25 3.78 -3.84 0.00 0.21 -5.09 105.19 102.64 2wft n GLY 258 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2wft n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wft s GLU 259 N -0.34 4.53 -0.27 1.61 0.41 -1.26 -4.80 118.70 118.58 2wft s GLU 259 Ca 0.00 1.21 -0.11 0.00 -0.41 0.00 0.00 54.97 55.66 2wft s GLU 259 Cb 0.00 -2.96 -0.05 0.00 -1.78 0.00 0.00 34.13 29.34 2wft s GLU 259 CO 0.00 0.39 0.18 0.42 -0.49 0.00 0.00 175.26 175.75 2wft s ILE 260 N -1.46 5.23 0.47 -1.63 1.01 -1.26 -0.58 121.20 122.98 2wft s ILE 260 Ca 0.45 0.14 -0.24 0.00 0.00 0.00 0.00 60.65 61.00 2wft s ILE 260 Cb -0.20 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 2wft s ILE 260 CO 0.25 0.27 1.33 -0.36 0.00 0.00 0.00 174.94 176.42 2wft s PHE 261 N 1.68 2.55 0.18 3.97 0.08 -0.75 -4.91 117.98 120.77 2wft s PHE 261 Ca 0.07 1.38 -0.01 0.00 0.12 0.00 0.00 56.93 58.48 2wft s PHE 261 Cb -0.16 -3.73 0.06 0.00 -0.57 0.00 0.00 43.02 38.62 2wft s PHE 261 CO 0.10 -2.49 1.44 1.57 -0.10 0.00 0.00 175.22 175.73 2wft h LYS 262 N 2.08 0.41 -6.20 0.44 2.10 -1.98 -3.42 116.57 110.00 2wft h LYS 262 Ca -0.50 -0.33 -0.55 0.00 -2.00 0.00 0.00 60.65 57.27 2wft h LYS 262 Cb 1.27 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.63 2wft h LYS 262 CO 0.60 0.97 0.21 -1.21 -2.00 0.00 0.00 179.45 178.01 2wft s GLU 263 N -3.63 4.49 0.42 0.07 0.41 -1.26 -5.04 118.70 114.16 2wft s GLU 263 Ca -0.06 1.11 -0.25 0.00 -0.41 0.00 0.00 54.97 55.36 2wft s GLU 263 Cb 0.10 -3.45 -0.10 0.00 -1.78 0.00 0.00 34.13 28.91 2wft s GLU 263 CO 0.84 0.03 1.22 -2.30 -0.49 0.00 0.00 175.26 174.56 2wft n PRO 264 N 3.79 1.81 -0.29 0.39 -0.02 -1.26 -4.73 135.00 134.69 2wft n PRO 264 Ca 0.02 0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 2wft n PRO 264 Cb 0.51 -2.32 0.07 0.00 -0.02 0.00 0.00 33.50 31.74 2wft n PRO 264 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2wft h TYR 265 N 1.96 1.07 -3.52 6.00 -0.00 -0.80 -3.44 116.97 118.25 2wft h TYR 265 Ca -0.47 -0.02 -0.30 0.00 -0.00 0.00 0.00 58.73 57.93 2wft h TYR 265 Cb 1.30 -0.34 -0.34 0.00 -0.00 0.00 0.00 36.73 37.35 2wft h TYR 265 CO 0.47 0.75 -0.73 -1.17 -0.00 0.00 0.00 178.16 177.48 2wft s LEU 266 N -9.94 1.07 -0.28 2.82 2.96 -1.15 -0.27 118.68 113.89 2wft s LEU 266 Ca -0.13 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2wft s LEU 266 Cb 0.15 -0.08 0.09 0.00 0.50 0.00 0.00 46.19 46.85 2wft s LEU 266 CO 0.81 -0.13 0.06 -0.62 -1.32 0.00 0.00 176.35 175.14 2wft s ASP 267 N 1.08 3.91 -0.16 3.68 3.68 -1.26 -1.19 116.67 126.41 2wft s ASP 267 Ca -0.09 -1.49 0.16 0.00 2.13 0.00 0.00 52.55 53.26 2wft s ASP 267 Cb -0.13 -0.96 0.44 0.00 -1.45 0.00 0.00 42.92 40.81 2wft s ASP 267 CO -0.03 -0.36 1.19 2.30 0.13 0.00 0.00 175.17 178.40 2wft n ILE 268 N 4.78 1.50 0.34 4.11 -5.35 -0.57 -4.82 119.36 119.36 2wft n ILE 268 Ca -0.04 -2.69 0.14 0.00 -0.27 0.00 0.00 62.75 59.90 2wft n ILE 268 Cb 0.43 0.15 0.59 0.00 -1.74 0.00 0.00 39.64 39.07 2wft n ILE 268 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2wft h HIS 269 N 1.33 0.00 0.00 4.28 2.07 -1.73 -1.79 115.15 119.31 2wft h HIS 269 Ca -0.03 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.33 2wft h HIS 269 Cb 1.38 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.37 2wft h HIS 269 CO 0.57 0.00 -0.63 0.87 -3.07 0.00 0.00 177.93 175.67 2wft h LYS 270 N 0.00 0.42 -0.17 5.12 1.57 -1.87 -3.27 116.57 118.37 2wft h LYS 270 Ca 0.00 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 2wft h LYS 270 Cb 0.40 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2wft h LYS 270 CO 0.00 1.12 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.67 2wft h LEU 271 N -0.09 0.31 -9.72 2.94 3.38 -1.77 -3.44 115.31 106.91 2wft h LEU 271 Ca -0.08 -0.10 -0.59 0.00 0.09 0.00 0.00 57.88 57.20 2wft h LEU 271 Cb 1.34 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2wft h LEU 271 CO 0.12 0.58 -0.15 0.68 0.09 0.00 0.00 178.44 179.76 2wft s VAL 272 N -4.45 4.94 -0.44 1.22 -7.23 -0.74 -4.36 120.40 109.34 2wft s VAL 272 Ca -0.05 0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 60.86 2wft s VAL 272 Cb 0.14 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.38 2wft s VAL 272 CO 0.76 0.49 0.34 -1.58 -0.31 0.00 0.00 175.10 174.81 2wft s GLN 273 N -1.30 2.93 0.00 4.82 2.00 -0.36 -4.88 119.66 122.87 2wft s GLN 273 Ca 0.28 -1.25 0.00 0.00 -2.00 0.00 0.00 55.36 52.39 2wft s GLN 273 Cb -0.17 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.62 2wft s GLN 273 CO 0.16 -0.92 0.00 0.43 -0.50 0.00 0.00 175.29 174.46 2wft n SER 274 N 5.15 0.00 -3.65 6.67 7.64 -1.26 -3.19 113.62 124.98 2wft n SER 274 Ca -0.12 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.78 2wft n SER 274 Cb 0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 2wft n SER 274 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wft s GLY 275 N 0.00 0.61 -0.21 0.23 0.00 -1.24 -4.49 107.32 102.21 2wft s GLY 275 Ca 0.00 3.82 -0.17 0.00 0.00 0.00 0.00 44.72 48.36 2wft s GLY 275 CO 0.00 2.63 0.11 0.29 0.00 0.00 0.00 173.10 176.13 2wft n ILE 276 N 2.79 1.57 -1.27 0.90 -5.35 -1.26 -4.94 119.36 111.80 2wft n ILE 276 Ca -0.16 -0.21 -0.33 0.00 -0.27 0.00 0.00 62.75 61.78 2wft n ILE 276 Cb 0.56 -1.94 0.11 0.00 -1.74 0.00 0.00 39.64 36.63 2wft n ILE 276 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wft s LYS 277 N -2.43 1.92 0.62 6.28 1.02 -1.26 -4.98 119.74 120.91 2wft s LYS 277 Ca -0.30 1.67 -0.17 0.00 0.02 0.00 0.00 55.97 57.19 2wft s LYS 277 Cb 0.08 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 2wft s LYS 277 CO 0.60 -1.99 1.16 0.20 -0.92 0.00 0.00 175.35 174.40 2wft s GLY 278 N -2.26 2.49 0.00 -3.33 0.00 -1.26 -2.89 107.32 100.06 2wft s GLY 278 Ca 0.72 0.81 0.00 0.00 0.00 0.00 0.00 44.72 46.25 2wft s GLY 278 CO 0.49 1.18 0.00 0.61 0.00 0.00 0.00 173.10 175.38 2wft n GLY 279 N 0.11 2.79 3.55 0.20 0.00 -1.26 -4.95 105.19 105.63 2wft n GLY 279 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wft n GLY 279 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wft s ASP 280 N -0.36 5.25 0.00 1.61 3.68 -1.14 -4.66 116.67 121.06 2wft s ASP 280 Ca 0.00 -0.01 0.21 0.00 2.13 0.00 0.00 52.55 54.88 2wft s ASP 280 Cb 0.00 -2.54 0.99 0.00 -1.45 0.00 0.00 42.92 39.92 2wft s ASP 280 CO 0.00 -2.48 1.66 -0.62 0.13 0.00 0.00 175.17 173.87 2wft n GLU 281 N 9.09 0.19 -2.14 4.34 1.02 -0.30 -4.74 120.64 128.09 2wft n GLU 281 Ca 0.26 0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 57.12 2wft n GLU 281 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2wft n GLU 281 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wft s ARG 282 N -2.73 4.01 0.00 3.49 0.52 -1.26 -4.91 118.95 118.07 2wft s ARG 282 Ca 0.16 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 2wft s ARG 282 Cb 0.14 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2wft s ARG 282 CO 0.34 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2wft n GLY 283 N 0.68 -0.24 3.70 -3.53 0.00 -1.19 -3.70 105.19 100.91 2wft n GLY 283 Ca 0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2wft n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wft s LEU 284 N 0.00 4.33 -0.26 0.99 2.96 0.10 -2.08 118.68 124.72 2wft s LEU 284 Ca 0.00 1.88 -0.10 0.00 -0.22 0.00 0.00 54.13 55.69 2wft s LEU 284 Cb 0.00 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 2wft s LEU 284 CO 0.00 -0.48 -0.32 0.18 -1.32 0.00 0.00 176.35 174.42 2wft n LEU 285 N 4.41 2.03 -3.80 -0.68 4.77 0.11 -4.74 117.00 119.10 2wft n LEU 285 Ca 0.09 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.24 2wft n LEU 285 Cb 0.47 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2wft n LEU 285 CO 0.55 0.61 0.51 -0.55 -1.33 0.00 0.00 177.39 177.18 2wft s SER 286 N -7.17 -0.27 -0.19 -1.43 0.15 -1.09 -4.79 113.70 98.91 2wft s SER 286 Ca -0.36 -0.52 -0.17 0.00 0.70 0.00 0.00 55.95 55.60 2wft s SER 286 Cb 0.13 0.67 0.05 0.00 -1.71 0.00 0.00 66.02 65.16 2wft s SER 286 CO 0.48 -1.23 0.51 -0.22 1.20 0.00 0.00 173.24 173.98 2wft s LEU 287 N -2.91 0.00 -0.05 3.45 0.20 -1.26 -1.73 118.68 116.39 2wft s LEU 287 Ca 0.10 1.04 -0.04 0.00 0.69 0.00 0.00 54.13 55.92 2wft s LEU 287 Cb -0.05 1.76 0.02 0.00 -0.43 0.00 0.00 46.19 47.49 2wft s LEU 287 CO 0.04 -0.18 0.14 0.00 -0.29 0.00 0.00 176.35 176.06 2wft s ALA 288 N 0.36 -0.32 -0.15 5.97 0.00 0.46 -4.78 121.76 123.30 2wft s ALA 288 Ca -0.01 0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 2wft s ALA 288 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2wft s ALA 288 CO -0.00 -0.07 0.12 -0.06 0.00 0.00 0.00 175.76 175.74 2wft s PHE 289 N 0.21 3.47 0.26 0.00 0.40 -1.26 -0.60 117.98 120.46 2wft s PHE 289 Ca -0.01 0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 56.43 2wft s PHE 289 Cb -0.02 -2.00 -0.15 0.00 0.51 0.00 0.00 43.02 41.36 2wft s PHE 289 CO -0.01 0.53 1.02 1.58 0.70 0.00 0.00 175.22 179.05 2wft n HIS 290 N 2.58 1.18 0.25 0.36 -0.00 0.18 -4.83 115.22 114.95 2wft n HIS 290 Ca -0.18 0.71 0.15 0.00 -0.00 0.00 0.00 57.72 58.40 2wft n HIS 290 Cb 0.54 -2.24 0.81 0.00 -0.00 0.00 0.00 29.99 29.09 2wft n HIS 290 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2wft h PRO 291 N 2.27 0.00 -0.57 1.57 0.11 -1.93 -1.28 132.00 132.17 2wft h PRO 291 Ca -0.40 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.30 2wft h PRO 291 Cb 1.35 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.10 2wft h PRO 291 CO 0.63 0.00 -0.81 -1.71 -0.21 0.00 0.00 178.00 175.89 2wft n ASN 292 N -2.62 3.87 -0.10 -2.05 4.05 -1.26 -4.81 115.26 112.34 2wft n ASN 292 Ca -0.02 -3.50 0.05 0.00 0.45 0.00 0.00 54.58 51.57 2wft n ASN 292 Cb 0.16 -0.39 0.39 0.00 1.23 0.00 0.00 39.78 41.17 2wft n ASN 292 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 2wft h TYR 293 N 2.01 0.65 -1.00 1.20 5.03 -1.52 0.58 116.97 123.93 2wft h TYR 293 Ca 0.23 0.02 0.27 0.00 2.58 0.00 0.00 58.73 61.83 2wft h TYR 293 Cb 1.43 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 2wft h TYR 293 CO 0.77 0.37 0.69 -0.22 -1.32 0.00 0.00 178.16 178.46 2wft h LYS 294 N 0.67 0.12 0.00 1.82 3.64 -1.84 0.09 116.57 121.07 2wft h LYS 294 Ca 0.24 -0.01 -0.46 0.00 -1.27 0.00 0.00 60.65 59.16 2wft h LYS 294 Cb 0.12 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wft h LYS 294 CO -0.07 0.08 -2.53 1.17 -2.27 0.00 0.00 179.45 175.84 2wft n LYS 295 N -4.34 0.59 0.00 1.90 4.81 -0.41 -4.75 118.16 115.95 2wft n LYS 295 Ca 0.22 0.25 0.11 0.00 -0.87 0.00 0.00 58.31 58.01 2wft n LYS 295 Cb 0.98 -1.48 -0.00 0.00 0.02 0.00 0.00 35.03 34.55 2wft n LYS 295 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2wft n ASN 296 N -4.14 0.99 -1.79 3.14 0.23 0.06 -4.01 115.26 109.74 2wft n ASN 296 Ca -0.53 -0.87 -0.19 0.00 -0.53 0.00 0.00 54.58 52.46 2wft n ASN 296 Cb 0.89 0.74 -0.04 0.00 -2.08 0.00 0.00 39.78 39.29 2wft n ASN 296 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wft n GLY 297 N 1.49 0.70 3.77 4.83 0.00 0.01 -4.86 105.19 111.13 2wft n GLY 297 Ca 0.05 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2wft n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wft s LYS 298 N -4.27 4.05 0.15 1.61 -0.14 -1.26 -0.62 119.74 119.26 2wft s LYS 298 Ca 0.00 0.03 0.03 0.00 -1.36 0.00 0.00 55.97 54.67 2wft s LYS 298 Cb 0.00 -3.36 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 2wft s LYS 298 CO 0.00 0.40 -0.06 -0.48 -0.76 0.00 0.00 175.35 174.45 2wft s LEU 299 N -0.02 2.41 -0.06 3.17 2.34 -0.52 -0.65 118.68 125.36 2wft s LEU 299 Ca 0.15 -1.06 0.02 0.00 0.06 0.00 0.00 54.13 53.30 2wft s LEU 299 Cb -0.13 -0.20 0.01 0.00 -0.56 0.00 0.00 46.19 45.31 2wft s LEU 299 CO 0.04 -0.44 -0.12 -0.31 -1.06 0.00 0.00 176.35 174.47 2wft s TYR 300 N -3.49 1.38 0.27 3.48 1.51 0.23 -0.51 117.35 120.22 2wft s TYR 300 Ca 0.18 -0.49 0.12 0.00 -1.01 0.00 0.00 57.07 55.87 2wft s TYR 300 Cb 0.04 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 2wft s TYR 300 CO 0.00 -0.25 -0.19 0.14 -1.11 0.00 0.00 175.55 174.14 2wft s VAL 301 N 0.61 2.54 -0.09 0.71 -7.23 -0.25 -0.40 120.40 116.28 2wft s VAL 301 Ca -0.13 -2.33 -0.00 0.00 -1.81 0.00 0.00 61.98 57.71 2wft s VAL 301 Cb -0.15 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2wft s VAL 301 CO 0.03 -0.37 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.45 2wft s SER 302 N -3.43 1.91 0.24 4.85 1.04 -0.70 -0.90 113.70 116.69 2wft s SER 302 Ca 0.29 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.49 2wft s SER 302 Cb -0.05 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 2wft s SER 302 CO 0.15 -0.11 0.18 -0.72 0.98 0.00 0.00 173.24 173.72 2wft s TYR 303 N 1.58 1.31 -0.10 5.02 1.13 -1.08 0.05 117.35 125.25 2wft s TYR 303 Ca 0.01 -1.44 -0.03 0.00 -1.41 0.00 0.00 57.07 54.20 2wft s TYR 303 Cb -0.13 -0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 40.12 2wft s TYR 303 CO -0.06 -0.72 0.01 0.95 -2.51 0.00 0.00 175.55 173.23 2wft s THR 304 N -3.94 4.40 0.20 -3.49 -4.23 -0.89 -0.82 115.64 106.88 2wft s THR 304 Ca 0.39 -0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.64 2wft s THR 304 Cb 0.05 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 2wft s THR 304 CO 0.16 0.59 0.24 0.28 -0.54 0.00 0.00 174.62 175.35 2wft s THR 305 N -0.69 0.02 0.12 3.99 -1.32 0.75 -1.22 115.64 117.29 2wft s THR 305 Ca 0.11 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 58.91 2wft s THR 305 Cb -0.12 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 2wft s THR 305 CO 0.02 -0.11 0.15 0.20 -2.21 0.00 0.00 174.62 172.67 2wft s ASN 306 N -3.07 5.75 0.00 8.08 0.01 -1.26 -1.31 114.94 123.13 2wft s ASN 306 Ca 0.29 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 2wft s ASN 306 Cb 0.04 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 40.11 2wft s ASN 306 CO 0.08 0.12 0.00 -2.65 -1.51 0.00 0.00 177.10 173.13 2wft n PRO 314 N 0.00 0.00 0.00 -0.60 -0.02 -1.26 -4.96 135.00 128.16 2wft n PRO 314 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wft n PRO 314 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2wft n PRO 314 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2wft n HIS 315 N 0.00 0.00 -0.06 6.00 1.44 -1.26 -5.13 115.22 116.20 2wft n HIS 315 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 2wft n HIS 315 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 2wft n HIS 315 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2wft n ASP 316 N 0.00 1.41 -3.29 4.39 -0.08 -1.00 -5.05 116.55 112.93 2wft n ASP 316 Ca 0.00 0.35 -0.07 0.00 -1.51 0.00 0.00 54.79 53.56 2wft n ASP 316 Cb 0.00 -0.71 0.01 0.00 2.34 0.00 0.00 41.12 42.76 2wft n ASP 316 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2wft s HIS 317 N -2.25 0.01 -0.05 -0.67 -3.43 -0.97 -4.95 115.29 102.98 2wft s HIS 317 Ca -0.18 -0.57 0.05 0.00 -0.80 0.00 0.00 55.06 53.57 2wft s HIS 317 Cb 0.02 0.77 -0.02 0.00 -1.43 0.00 0.00 32.58 31.93 2wft s HIS 317 CO 0.27 -1.33 -0.20 0.42 -2.00 0.00 0.00 174.74 171.89 2wft s ILE 318 N -2.77 2.50 -0.53 -5.38 1.09 -0.43 -0.56 121.20 115.12 2wft s ILE 318 Ca 0.15 -0.92 -0.13 0.00 -1.10 0.00 0.00 60.65 58.65 2wft s ILE 318 Cb -0.05 -1.94 0.13 0.00 -1.06 0.00 0.00 42.46 39.55 2wft s ILE 318 CO 0.09 0.58 0.46 -0.22 -0.10 0.00 0.00 174.94 175.74 2wft s LEU 319 N -0.46 6.01 0.56 2.97 0.20 0.37 -0.18 118.68 128.15 2wft s LEU 319 Ca 0.05 -1.93 -0.15 0.00 0.69 0.00 0.00 54.13 52.80 2wft s LEU 319 Cb -0.12 -2.12 -0.06 0.00 -0.43 0.00 0.00 46.19 43.46 2wft s LEU 319 CO 0.01 -0.76 1.01 -0.13 -0.29 0.00 0.00 176.35 176.19 2wft s ARG 320 N 1.37 3.75 -0.15 1.98 0.52 -0.00 -2.09 118.95 124.33 2wft s ARG 320 Ca 0.05 0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 56.16 2wft s ARG 320 Cb -0.27 -2.10 0.05 0.00 0.52 0.00 0.00 34.95 33.14 2wft s ARG 320 CO 0.01 -0.44 0.01 0.08 0.02 0.00 0.00 175.30 174.98 2wft s VAL 321 N -2.79 0.55 -0.01 3.52 1.01 -0.98 -2.63 120.40 119.08 2wft s VAL 321 Ca 0.58 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2wft s VAL 321 Cb -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2wft s VAL 321 CO 0.39 0.00 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 2wft s VAL 322 N 1.87 1.49 0.05 2.92 1.01 -0.08 -0.33 120.40 127.34 2wft s VAL 322 Ca 0.01 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2wft s VAL 322 Cb -0.15 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 2wft s VAL 322 CO -0.07 0.38 0.54 -0.70 0.00 0.00 0.00 175.10 175.25 2wft s GLU 323 N -0.56 4.16 0.23 2.72 2.12 -0.61 -1.10 118.70 125.67 2wft s GLU 323 Ca 0.07 0.68 0.06 0.00 0.36 0.00 0.00 54.97 56.14 2wft s GLU 323 Cb -0.07 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2wft s GLU 323 CO -0.00 0.63 -0.08 0.71 -0.54 0.00 0.00 175.26 175.98 2wft s TYR 324 N -1.04 1.71 -0.07 5.30 2.02 0.33 -1.79 117.35 123.81 2wft s TYR 324 Ca 0.28 -0.71 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 2wft s TYR 324 Cb -0.19 -0.91 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 2wft s TYR 324 CO 0.18 0.22 -0.20 0.99 -1.57 0.00 0.00 175.55 175.16 2wft s THR 325 N -3.12 1.75 0.76 -0.71 2.01 -1.26 -1.44 115.64 113.63 2wft s THR 325 Ca 0.25 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 2wft s THR 325 Cb 0.03 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 71.07 2wft s THR 325 CO 0.08 0.49 1.22 0.55 -0.69 0.00 0.00 174.62 176.27 2wft n VAL 326 N 3.39 2.94 -1.93 3.82 3.14 0.21 -1.61 118.33 128.29 2wft n VAL 326 Ca -0.19 -0.30 -0.37 0.00 -2.96 0.00 0.00 64.34 60.52 2wft n VAL 326 Cb 0.53 -1.28 0.04 0.00 -1.06 0.00 0.00 33.84 32.06 2wft n VAL 326 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2wft s SER 327 N -1.88 5.23 0.27 6.55 0.15 0.23 -4.36 113.70 119.88 2wft s SER 327 Ca 0.76 2.53 0.14 0.00 0.70 0.00 0.00 55.95 60.09 2wft s SER 327 Cb -0.32 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.54 2wft s SER 327 CO 0.48 -1.58 1.49 -0.09 1.20 0.00 0.00 173.24 174.73 2wft h ARG 328 N 1.14 0.00 0.00 5.44 2.43 -1.91 -3.26 114.38 118.22 2wft h ARG 328 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2wft h ARG 328 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2wft h ARG 328 CO 0.56 0.57 -1.16 1.63 -1.51 0.00 0.00 179.97 180.06 2wft n LYS 329 N -3.34 0.18 -3.26 0.20 5.02 -1.26 -4.25 118.16 111.45 2wft n LYS 329 Ca 0.01 -0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 2wft n LYS 329 Cb 0.72 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 2wft n LYS 329 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wft s ASN 330 N -3.47 -0.43 0.04 4.39 2.47 -1.23 -5.03 114.94 111.68 2wft s ASN 330 Ca 0.04 0.34 0.05 0.00 0.42 0.00 0.00 52.86 53.71 2wft s ASN 330 Cb 0.15 1.54 0.22 0.00 -1.45 0.00 0.00 41.25 41.71 2wft s ASN 330 CO 0.85 -0.29 1.14 -2.65 -3.72 0.00 0.00 177.10 172.43 2wft n PRO 331 N 5.39 0.02 -0.12 0.43 -0.02 -1.26 -1.76 135.00 137.67 2wft n PRO 331 Ca -0.01 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2wft n PRO 331 Cb 0.51 -1.55 0.11 0.00 -0.02 0.00 0.00 33.50 32.54 2wft n PRO 331 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wft n HIS 332 N -1.59 0.32 -3.76 6.00 8.25 -1.26 -4.94 115.22 118.25 2wft n HIS 332 Ca 0.00 -0.48 -0.13 0.00 -0.26 0.00 0.00 57.72 56.86 2wft n HIS 332 Cb 0.03 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 2wft n HIS 332 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wft s GLN 333 N -0.99 0.18 0.29 -0.41 0.74 -0.72 -4.07 119.66 114.68 2wft s GLN 333 Ca 0.17 0.39 -0.15 0.00 0.05 0.00 0.00 55.36 55.81 2wft s GLN 333 Cb 0.09 -0.06 -0.09 0.00 1.10 0.00 0.00 33.01 34.05 2wft s GLN 333 CO 0.11 -0.12 0.71 0.14 -0.55 0.00 0.00 175.29 175.59 2wft s VAL 334 N 0.83 4.70 -0.68 1.34 -7.23 0.63 -0.61 120.40 119.39 2wft s VAL 334 Ca -0.06 0.94 -0.27 0.00 -1.81 0.00 0.00 61.98 60.78 2wft s VAL 334 Cb -0.08 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.25 2wft s VAL 334 CO -0.05 -0.11 1.23 -0.62 -0.31 0.00 0.00 175.10 175.25 2wft s ASP 335 N -2.18 6.27 0.60 4.85 3.68 -0.63 -4.55 116.67 124.71 2wft s ASP 335 Ca 0.51 -0.27 0.30 0.00 2.13 0.00 0.00 52.55 55.23 2wft s ASP 335 Cb -0.11 -2.55 1.70 0.00 -1.45 0.00 0.00 42.92 40.51 2wft s ASP 335 CO 0.18 -1.68 2.08 -0.07 0.13 0.00 0.00 175.17 175.81 2wft h LEU 336 N 12.53 0.00 -1.34 -1.34 3.38 -1.94 -1.04 115.31 125.56 2wft h LEU 336 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2wft h LEU 336 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2wft h LEU 336 CO 1.24 0.00 -0.33 0.03 0.09 0.00 0.00 178.44 179.47 2wft h ARG 337 N 0.00 0.00 0.00 1.13 3.08 -1.94 -3.22 114.38 113.42 2wft h ARG 337 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wft h ARG 337 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wft h ARG 337 CO -0.00 0.33 0.00 0.25 -1.07 0.00 0.00 179.97 179.48 2wft n THR 338 N -4.02 0.00 -1.46 2.04 -2.24 -0.40 -4.91 114.28 103.29 2wft n THR 338 Ca -0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2wft n THR 338 Cb 0.38 -0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.19 2wft n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wft n ALA 339 N -0.78 -0.95 -2.99 6.98 0.00 -1.22 -4.40 120.51 117.15 2wft n ALA 339 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 2wft n ALA 339 Cb 0.04 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2wft n ALA 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wft s ARG 340 N -2.32 0.89 0.32 0.00 3.52 -0.74 -4.97 118.95 115.65 2wft s ARG 340 Ca 0.70 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 55.41 2wft s ARG 340 Cb -0.42 0.03 -0.11 0.00 -1.56 0.00 0.00 34.95 32.88 2wft s ARG 340 CO 0.53 -1.19 1.56 0.28 -0.81 0.00 0.00 175.30 175.67 2wft n VAL 341 N 3.72 1.34 -0.08 7.11 0.31 -1.26 -1.57 118.33 127.90 2wft n VAL 341 Ca 0.14 -0.34 -0.16 0.00 -0.01 0.00 0.00 64.34 63.97 2wft n VAL 341 Cb 0.57 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 2wft n VAL 341 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wft n PHE 342 N 1.58 0.00 -4.24 3.52 0.99 0.55 -4.89 117.46 114.97 2wft n PHE 342 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.34 2wft n PHE 342 Cb 0.37 -0.57 -0.11 0.00 -1.00 0.00 0.00 39.48 38.18 2wft n PHE 342 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wft s LEU 343 N -7.01 2.41 -0.20 4.37 1.43 -1.12 -4.99 118.68 113.57 2wft s LEU 343 Ca -0.23 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 2wft s LEU 343 Cb 0.08 -0.54 0.07 0.00 0.03 0.00 0.00 46.19 45.84 2wft s LEU 343 CO 0.29 -0.16 0.12 -1.61 0.23 0.00 0.00 176.35 175.22 2wft s GLU 344 N -2.74 0.11 -0.16 1.70 2.02 -1.26 -2.31 118.70 116.06 2wft s GLU 344 Ca 0.09 -0.17 -0.08 0.00 0.02 0.00 0.00 54.97 54.84 2wft s GLU 344 Cb -0.04 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 2wft s GLU 344 CO 0.03 -0.76 0.10 0.08 0.02 0.00 0.00 175.26 174.73 2wft s VAL 345 N 2.15 5.14 0.28 2.63 1.01 -0.89 -4.91 120.40 125.81 2wft s VAL 345 Ca 0.04 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 2wft s VAL 345 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 2wft s VAL 345 CO -0.17 0.51 0.76 0.00 0.00 0.00 0.00 175.10 176.20 2wft s ALA 346 N -0.11 3.35 -0.02 5.51 0.00 -1.26 -0.48 121.76 128.74 2wft s ALA 346 Ca 0.09 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2wft s ALA 346 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2wft s ALA 346 CO 0.01 0.31 -0.07 -1.21 0.00 0.00 0.00 175.76 174.80 2wft s GLU 347 N -2.39 0.71 -0.19 0.00 0.41 0.27 -4.85 118.70 112.66 2wft s GLU 347 Ca 0.48 -0.21 0.12 0.00 -0.41 0.00 0.00 54.97 54.95 2wft s GLU 347 Cb -0.14 -0.69 -0.23 0.00 -1.78 0.00 0.00 34.13 31.29 2wft s GLU 347 CO 0.19 0.07 0.09 1.28 -0.49 0.00 0.00 175.26 176.41 2wft n LEU 348 N 3.32 1.04 0.00 1.80 4.32 -1.26 -2.30 117.00 123.92 2wft n LEU 348 Ca -0.18 0.03 -0.34 0.00 -0.02 0.00 0.00 56.01 55.51 2wft n LEU 348 Cb 0.55 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 2wft n LEU 348 CO 0.25 0.62 -0.25 1.41 -1.22 0.00 0.00 177.39 178.20 2wft n HIS 349 N -2.96 1.22 -1.58 -1.77 8.25 -1.26 -4.44 115.22 112.69 2wft n HIS 349 Ca -0.34 -2.60 0.01 0.00 -0.26 0.00 0.00 57.72 54.54 2wft n HIS 349 Cb 1.10 -0.35 0.20 0.00 1.12 0.00 0.00 29.99 32.06 2wft n HIS 349 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wft n ARG 350 N -1.31 1.74 -4.16 -0.41 1.74 -1.26 -4.91 116.66 108.09 2wft n ARG 350 Ca -0.22 -3.31 -0.11 0.00 -0.77 0.00 0.00 57.85 53.44 2wft n ARG 350 Cb 0.67 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 2wft n ARG 350 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wft s LYS 351 N -3.26 1.09 -1.47 5.56 1.02 -1.26 -1.15 119.74 120.27 2wft s LYS 351 Ca 0.41 -1.52 -0.04 0.00 0.02 0.00 0.00 55.97 54.83 2wft s LYS 351 Cb 0.38 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.98 2wft s LYS 351 CO -0.05 -0.34 0.40 0.72 -0.92 0.00 0.00 175.35 175.16 2wft n HIS 352 N -0.20 -1.70 0.09 3.18 8.25 -1.26 -4.07 115.22 119.51 2wft n HIS 352 Ca -0.02 0.35 -0.08 0.00 -0.26 0.00 0.00 57.72 57.72 2wft n HIS 352 Cb 0.65 -3.83 -0.05 0.00 1.12 0.00 0.00 29.99 27.88 2wft n HIS 352 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wft h LEU 353 N -0.88 -0.26 0.00 2.41 3.38 -1.88 0.10 115.31 118.18 2wft h LEU 353 Ca -0.47 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2wft h LEU 353 Cb 1.33 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2wft h LEU 353 CO 0.53 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.92 2wft n GLY 354 N 0.79 0.53 0.00 0.83 0.00 -1.26 0.21 105.19 106.29 2wft n GLY 354 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wft n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wft n GLY 355 N 0.00 1.71 3.64 -0.02 0.00 0.35 -4.91 105.19 105.96 2wft n GLY 355 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2wft n GLY 355 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wft n GLN 356 N -0.05 1.28 -4.16 1.61 7.27 -1.22 -4.52 117.38 117.58 2wft n GLN 356 Ca 0.00 0.47 -0.32 0.00 0.07 0.00 0.00 57.00 57.22 2wft n GLN 356 Cb 0.00 -2.14 -0.08 0.00 2.41 0.00 0.00 30.24 30.43 2wft n GLN 356 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wft s LEU 357 N 1.77 3.65 0.05 1.69 1.43 -1.26 -1.53 118.68 124.48 2wft s LEU 357 Ca 0.89 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.72 2wft s LEU 357 Cb -0.96 -2.21 0.09 0.00 0.03 0.00 0.00 46.19 43.14 2wft s LEU 357 CO 0.53 0.23 0.77 -1.48 0.23 0.00 0.00 176.35 176.64 2wft s LEU 358 N -1.92 -0.45 -0.13 1.79 2.34 -0.85 -4.77 118.68 114.68 2wft s LEU 358 Ca 0.24 0.03 -0.02 0.00 0.06 0.00 0.00 54.13 54.43 2wft s LEU 358 Cb -0.12 2.25 -0.03 0.00 -0.56 0.00 0.00 46.19 47.74 2wft s LEU 358 CO 0.15 -0.75 -0.05 -0.36 -1.06 0.00 0.00 176.35 174.28 2wft s PHE 359 N -3.28 2.99 0.82 3.48 0.08 -1.26 -0.80 117.98 120.01 2wft s PHE 359 Ca 0.03 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 2wft s PHE 359 Cb -0.01 -1.89 0.11 0.00 -0.57 0.00 0.00 43.02 40.66 2wft s PHE 359 CO -0.10 0.04 1.17 0.20 -0.10 0.00 0.00 175.22 176.43 2wft s GLY 360 N 0.08 1.68 0.16 4.36 0.00 -0.88 -4.93 107.32 107.79 2wft s GLY 360 Ca -0.01 -0.95 0.21 0.00 0.00 0.00 0.00 44.72 43.97 2wft s GLY 360 CO 0.03 -0.40 1.64 -1.05 0.00 0.00 0.00 173.10 173.32 2wft n PRO 361 N -3.31 0.13 0.20 2.90 -0.02 -1.26 -1.32 135.00 132.32 2wft n PRO 361 Ca 0.11 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2wft n PRO 361 Cb 0.60 -1.74 0.56 0.00 -0.02 0.00 0.00 33.50 32.91 2wft n PRO 361 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2wft h ASP 362 N 0.00 0.00 0.00 2.55 3.04 -2.01 -3.46 116.42 116.53 2wft h ASP 362 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2wft h ASP 362 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 2wft h ASP 362 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2wft n GLY 363 N 0.16 0.77 3.96 7.15 0.00 -0.43 -5.06 105.19 111.75 2wft n GLY 363 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2wft n GLY 363 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wft s PHE 364 N -2.23 3.12 -0.37 1.61 0.40 -1.26 -4.78 117.98 114.48 2wft s PHE 364 Ca 0.00 0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 2wft s PHE 364 Cb 0.00 -2.34 0.03 0.00 0.51 0.00 0.00 43.02 41.22 2wft s PHE 364 CO 0.00 -0.40 0.18 -1.17 0.70 0.00 0.00 175.22 174.53 2wft s LEU 365 N -4.52 4.62 0.14 -0.37 2.96 -0.20 -2.08 118.68 119.24 2wft s LEU 365 Ca 0.50 -1.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 2wft s LEU 365 Cb -0.10 -1.97 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 2wft s LEU 365 CO 0.37 -0.38 0.59 -0.31 -1.32 0.00 0.00 176.35 175.30 2wft s TYR 366 N 1.50 3.66 -0.23 5.38 2.02 0.02 -0.58 117.35 129.12 2wft s TYR 366 Ca 0.01 1.18 -0.03 0.00 -0.37 0.00 0.00 57.07 57.86 2wft s TYR 366 Cb -0.19 -2.45 0.07 0.00 -0.40 0.00 0.00 41.96 38.99 2wft s TYR 366 CO 0.05 0.45 0.06 0.42 -1.57 0.00 0.00 175.55 174.96 2wft s ILE 367 N -1.39 0.50 -0.41 2.71 1.01 -0.86 -2.00 121.20 120.76 2wft s ILE 367 Ca 0.37 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2wft s ILE 367 Cb -0.16 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.19 2wft s ILE 367 CO 0.19 -0.37 0.77 -0.63 0.00 0.00 0.00 174.94 174.90 2wft s ILE 368 N 1.85 4.71 -0.08 2.92 1.09 -0.58 -1.71 121.20 129.40 2wft s ILE 368 Ca 0.02 0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 60.15 2wft s ILE 368 Cb -0.17 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 2wft s ILE 368 CO -0.15 -0.58 -0.02 -0.76 -0.10 0.00 0.00 174.94 173.34 2wft s LEU 369 N 3.16 3.48 0.66 2.97 1.43 -0.35 -0.50 118.68 129.54 2wft s LEU 369 Ca 0.30 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2wft s LEU 369 Cb -0.13 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2wft s LEU 369 CO 0.20 0.37 0.94 -0.83 0.23 0.00 0.00 176.35 177.25 2wft s GLY 370 N -0.84 1.75 0.00 -3.19 0.00 0.13 -2.51 107.32 102.67 2wft s GLY 370 Ca 0.13 -1.20 0.20 0.00 0.00 0.00 0.00 44.72 43.85 2wft s GLY 370 CO 0.02 -0.80 1.65 2.09 0.00 0.00 0.00 173.10 176.06 2wft n ASP 371 N -2.73 0.00 -0.34 1.64 3.85 -0.00 -1.03 116.55 117.94 2wft n ASP 371 Ca 0.09 0.19 -0.04 0.00 -0.71 0.00 0.00 54.79 54.32 2wft n ASP 371 Cb 0.60 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 39.98 2wft n ASP 371 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wft n GLY 372 N 0.52 0.60 3.93 6.12 0.00 0.34 -1.55 105.19 115.14 2wft n GLY 372 Ca 0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2wft n GLY 372 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2wft n MET 373 N -1.30 -0.76 -3.15 1.61 0.00 -1.26 -4.01 117.12 108.27 2wft n MET 373 Ca -0.04 0.01 -0.39 0.00 0.00 0.00 0.00 57.70 57.28 2wft n MET 373 Cb 0.34 -2.33 -0.06 0.00 0.00 0.00 0.00 33.22 31.17 2wft n MET 373 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2wft s ILE 374 N -4.00 5.07 0.70 3.17 -1.09 -0.59 -4.91 121.20 119.55 2wft s ILE 374 Ca 0.13 1.20 -0.07 0.00 -2.23 0.00 0.00 60.65 59.68 2wft s ILE 374 Cb -0.07 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 2wft s ILE 374 CO 0.75 0.20 1.01 0.42 -1.23 0.00 0.00 174.94 176.10 2wft s THR 375 N 1.28 2.49 0.13 2.92 -4.23 -1.26 -4.96 115.64 112.01 2wft s THR 375 Ca 0.30 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.84 2wft s THR 375 Cb -0.16 -3.08 0.18 0.00 1.34 0.00 0.00 72.50 70.78 2wft s THR 375 CO 0.12 -0.09 1.77 -0.07 -0.54 0.00 0.00 174.62 175.81 2wft h LEU 376 N -0.58 0.00 0.32 4.79 4.07 -1.99 -2.17 115.31 119.75 2wft h LEU 376 Ca -0.45 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.50 2wft h LEU 376 Cb 1.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 2wft h LEU 376 CO 0.61 0.30 -0.21 0.44 -1.08 0.00 0.00 178.44 178.50 2wft h ASP 377 N 0.00 -0.55 -1.36 -0.43 3.32 -2.00 -2.89 116.42 112.50 2wft h ASP 377 Ca -0.00 0.03 0.40 0.00 0.02 0.00 0.00 57.03 57.48 2wft h ASP 377 Cb 0.84 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 2wft h ASP 377 CO 0.04 -0.32 0.95 0.44 -1.72 0.00 0.00 179.24 178.63 2wft h ASP 378 N -0.51 0.11 0.37 6.45 3.32 -1.89 -1.96 116.42 122.31 2wft h ASP 378 Ca -0.04 0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 2wft h ASP 378 Cb 0.41 0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.01 2wft h ASP 378 CO 0.03 -0.02 -1.38 0.24 -1.72 0.00 0.00 179.24 176.40 2wft h MET 379 N 0.07 0.47 0.00 3.56 2.86 -1.37 -3.29 114.93 117.24 2wft h MET 379 Ca 0.69 -0.77 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 2wft h MET 379 Cb 2.53 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 34.46 2wft h MET 379 CO -0.12 1.37 -0.60 0.93 1.06 0.00 0.00 176.91 179.55 2wft h GLU 380 N 0.14 0.00 -0.52 1.72 5.08 -1.14 -3.30 114.58 116.56 2wft h GLU 380 Ca -0.21 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 2wft h GLU 380 Cb 2.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.24 2wft h GLU 380 CO 0.25 0.47 0.12 -0.85 -1.00 0.00 0.00 179.01 178.00 2wft n GLU 381 N -3.18 3.18 -3.44 2.33 0.28 -1.11 -4.80 120.64 113.90 2wft n GLU 381 Ca 0.01 -3.04 -0.13 0.00 -0.16 0.00 0.00 57.16 53.84 2wft n GLU 381 Cb 0.74 -2.04 -0.10 0.00 1.43 0.00 0.00 31.44 31.47 2wft n GLU 381 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wft s MET 382 N -2.99 0.27 0.58 3.44 -1.94 -1.24 -5.05 119.30 112.37 2wft s MET 382 Ca 0.49 0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 54.77 2wft s MET 382 Cb 0.41 -0.70 -0.05 0.00 2.01 0.00 0.00 34.83 36.49 2wft s MET 382 CO 0.10 -0.61 1.02 -0.51 -0.01 0.00 0.00 175.02 175.01 2wft s ASP 383 N 2.46 6.17 0.00 3.03 1.01 -1.26 -3.95 116.67 124.13 2wft s ASP 383 Ca 0.09 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.97 2wft s ASP 383 Cb -0.15 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2wft s ASP 383 CO -0.14 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 174.95 2wft n GLY 384 N -1.65 0.52 0.00 0.21 0.00 -1.26 -5.07 105.19 97.95 2wft n GLY 384 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2wft n GLY 384 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wft n LEU 385 N 0.00 0.00 0.02 0.99 4.77 -1.25 -4.73 117.00 116.80 2wft n LEU 385 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2wft n LEU 385 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wft n LEU 385 CO 0.00 0.00 -0.27 -0.24 -1.33 0.00 0.00 177.39 175.55 2wft n SER 386 N 0.00 0.66 0.00 -1.43 2.88 -1.26 -4.86 113.62 109.61 2wft n SER 386 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2wft n SER 386 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2wft n SER 386 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wft n ASP 387 N -3.31 0.00 0.02 -3.46 8.00 -1.26 -4.83 116.55 111.71 2wft n ASP 387 Ca -0.01 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.27 2wft n ASP 387 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.21 2wft n ASP 387 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2wft h PHE 388 N 0.00 0.51 -2.99 1.24 0.04 -1.99 -3.47 116.94 110.29 2wft h PHE 388 Ca 0.00 -0.37 -0.58 0.00 2.80 0.00 0.00 57.97 59.82 2wft h PHE 388 Cb 0.00 -0.02 0.15 0.00 2.20 0.00 0.00 35.95 38.28 2wft h PHE 388 CO 0.00 1.58 -0.11 0.25 -0.60 0.00 0.00 178.31 179.43 2wft n THR 389 N -3.85 2.51 -0.98 -1.55 -2.24 -1.26 -1.88 114.28 105.02 2wft n THR 389 Ca -0.25 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2wft n THR 389 Cb 0.94 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wft n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wft n GLY 390 N 1.49 0.80 3.52 3.38 0.00 -0.20 -4.82 105.19 109.36 2wft n GLY 390 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2wft n GLY 390 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wft s SER 391 N -2.66 3.73 -0.52 1.61 0.01 -0.79 -0.78 113.70 114.30 2wft s SER 391 Ca 0.00 -1.09 -0.18 0.00 1.31 0.00 0.00 55.95 55.99 2wft s SER 391 Cb 0.00 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.95 2wft s SER 391 CO 0.00 -0.09 0.57 -0.69 0.41 0.00 0.00 173.24 173.44 2wft s VAL 392 N -2.55 4.99 0.68 3.43 1.01 0.60 -1.21 120.40 127.35 2wft s VAL 392 Ca 0.31 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2wft s VAL 392 Cb -0.01 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2wft s VAL 392 CO 0.16 -0.82 1.03 -0.76 0.00 0.00 0.00 175.10 174.72 2wft s LEU 393 N 2.29 2.97 -0.27 3.92 1.43 -0.69 -1.34 118.68 127.00 2wft s LEU 393 Ca 0.10 0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2wft s LEU 393 Cb -0.23 -3.70 0.14 0.00 0.03 0.00 0.00 46.19 42.43 2wft s LEU 393 CO 0.08 -1.31 0.53 -0.60 0.23 0.00 0.00 176.35 175.29 2wft s ARG 394 N -5.25 0.47 0.25 1.70 3.52 -0.61 -2.02 118.95 117.01 2wft s ARG 394 Ca 0.57 1.07 0.10 0.00 -0.13 0.00 0.00 55.73 57.35 2wft s ARG 394 Cb -0.11 0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 2wft s ARG 394 CO 0.49 -0.41 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.96 2wft s LEU 395 N 2.76 2.91 -0.39 -0.88 1.43 0.25 -4.56 118.68 120.19 2wft s LEU 395 Ca 0.06 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 2wft s LEU 395 Cb -0.13 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.70 2wft s LEU 395 CO -0.17 0.04 0.19 -0.62 0.23 0.00 0.00 176.35 176.02 2wft s ASP 396 N -3.41 5.41 0.09 2.29 3.68 -1.13 -1.03 116.67 122.57 2wft s ASP 396 Ca 0.29 -1.56 0.26 0.00 2.13 0.00 0.00 52.55 53.68 2wft s ASP 396 Cb -0.06 -1.90 0.75 0.00 -1.45 0.00 0.00 42.92 40.26 2wft s ASP 396 CO 0.17 -0.48 1.63 0.52 0.13 0.00 0.00 175.17 177.14 2wft n VAL 397 N 4.79 0.26 -2.00 1.11 0.31 -1.26 -1.02 118.33 120.51 2wft n VAL 397 Ca -0.09 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 2wft n VAL 397 Cb 0.43 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2wft n VAL 397 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2wft n ASP 398 N -1.87 4.88 -4.88 4.52 8.00 -1.26 -4.49 116.55 121.45 2wft n ASP 398 Ca 0.05 -2.97 -0.31 0.00 0.71 0.00 0.00 54.79 52.28 2wft n ASP 398 Cb 0.39 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.89 2wft n ASP 398 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wft s THR 399 N 1.61 5.14 -0.63 -3.53 -1.32 -1.26 -4.94 115.64 110.71 2wft s THR 399 Ca 0.45 -0.51 0.18 0.00 -1.21 0.00 0.00 61.69 60.60 2wft s THR 399 Cb 0.12 -3.51 -0.22 0.00 -1.51 0.00 0.00 72.50 67.38 2wft s THR 399 CO -0.04 0.13 0.68 0.47 -2.21 0.00 0.00 174.62 173.64 2wft n ASP 400 N 0.30 0.81 -4.72 8.08 8.00 -1.26 -4.57 116.55 123.20 2wft n ASP 400 Ca -0.06 -0.68 -0.35 0.00 0.71 0.00 0.00 54.79 54.41 2wft n ASP 400 Cb 0.51 1.24 0.09 0.00 -0.02 0.00 0.00 41.12 42.94 2wft n ASP 400 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wft s MET 401 N -2.88 2.24 0.00 -1.24 -1.94 -1.26 -5.00 119.30 109.21 2wft s MET 401 Ca 0.03 1.86 0.00 0.00 -1.71 0.00 0.00 55.69 55.87 2wft s MET 401 Cb 0.13 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 35.14 2wft s MET 401 CO 0.76 -1.78 0.66 0.00 -0.01 0.00 0.00 175.02 174.65 2wft n ASN 403 N -0.22 2.20 -4.13 0.00 6.94 -1.26 -4.95 115.26 113.85 2wft n ASN 403 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.33 2wft n ASN 403 Cb 0.22 1.35 -0.15 0.00 -2.36 0.00 0.00 39.78 38.85 2wft n ASN 403 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wft s VAL 404 N -2.70 1.19 0.45 3.53 0.11 -1.26 -5.06 120.40 116.66 2wft s VAL 404 Ca -0.05 -0.67 0.24 0.00 -2.93 0.00 0.00 61.98 58.57 2wft s VAL 404 Cb 0.07 -1.00 0.27 0.00 -1.53 0.00 0.00 36.38 34.19 2wft s VAL 404 CO 0.50 0.32 2.07 -0.65 -3.33 0.00 0.00 175.10 174.00 2wft h PRO 405 N 5.71 0.00 -3.34 1.54 0.11 -1.92 -3.44 132.00 130.66 2wft h PRO 405 Ca -0.35 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.58 2wft h PRO 405 Cb 1.16 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 2wft h PRO 405 CO 0.48 0.12 -0.52 1.52 -0.21 0.00 0.00 178.00 179.40 2wft s TYR 406 N -4.38 -0.17 0.85 0.65 -0.85 -1.26 -4.92 117.35 107.28 2wft s TYR 406 Ca -0.03 0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.78 2wft s TYR 406 Cb 0.14 0.05 0.20 0.00 0.38 0.00 0.00 41.96 42.74 2wft s TYR 406 CO 0.61 -0.11 1.03 0.45 -1.52 0.00 0.00 175.55 176.02 2wft n SER 407 N 2.86 -0.46 -4.01 -0.18 2.88 -0.19 -4.93 113.62 109.60 2wft n SER 407 Ca -0.13 -1.30 -0.21 0.00 -1.33 0.00 0.00 58.87 55.90 2wft n SER 407 Cb 0.59 -0.83 -0.16 0.00 -0.75 0.00 0.00 64.21 63.06 2wft n SER 407 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wft s ILE 408 N -3.17 0.84 0.58 2.46 1.01 -1.26 -2.84 121.20 118.82 2wft s ILE 408 Ca 0.61 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 2wft s ILE 408 Cb -0.03 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2wft s ILE 408 CO 0.44 0.26 1.26 -2.84 0.00 0.00 0.00 174.94 174.06 2wft s PRO 409 N 0.26 3.01 0.32 2.79 0.02 -1.26 -4.87 135.00 135.26 2wft s PRO 409 Ca -0.04 1.98 0.10 0.00 0.02 0.00 0.00 61.00 63.05 2wft s PRO 409 Cb -0.10 -2.05 0.52 0.00 0.02 0.00 0.00 34.50 32.90 2wft s PRO 409 CO 0.01 -1.21 1.72 0.00 -0.33 0.00 0.00 177.00 177.18 2wft h ARG 410 N 1.09 0.06 0.00 5.54 3.08 -2.00 -2.94 114.38 119.21 2wft h ARG 410 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2wft h ARG 410 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wft h ARG 410 CO 0.56 0.53 0.00 0.43 -1.07 0.00 0.00 179.97 180.41 2wft n SER 411 N -3.97 0.00 -4.75 7.04 7.64 -1.26 -4.77 113.62 113.54 2wft n SER 411 Ca -0.02 0.43 -0.37 0.00 1.01 0.00 0.00 58.87 59.92 2wft n SER 411 Cb 0.50 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2wft n SER 411 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2wft s ASN 412 N -2.93 5.20 -0.04 6.43 -0.87 -1.11 -4.86 114.94 116.76 2wft s ASN 412 Ca 0.09 2.60 0.03 0.00 -1.57 0.00 0.00 52.86 54.00 2wft s ASN 412 Cb 0.10 -2.62 0.15 0.00 -0.02 0.00 0.00 41.25 38.86 2wft s ASN 412 CO 0.28 -1.60 0.78 -0.81 -2.57 0.00 0.00 177.10 173.17 2wft n PRO 413 N -1.29 1.67 -1.82 -0.60 -0.05 -1.26 -3.07 135.00 128.58 2wft n PRO 413 Ca 0.12 -0.57 -0.04 0.00 -0.05 0.00 0.00 63.50 62.96 2wft n PRO 413 Cb 0.47 -1.57 0.03 0.00 -0.05 0.00 0.00 33.50 32.38 2wft n PRO 413 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 2wft n HIS 414 N 0.09 -1.01 -0.09 0.54 8.25 -1.26 -5.07 115.22 116.66 2wft n HIS 414 Ca 0.05 -1.04 -0.01 0.00 -0.26 0.00 0.00 57.72 56.46 2wft n HIS 414 Cb 0.38 1.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.49 2wft n HIS 414 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wft n PHE 415 N -0.76 0.00 -1.49 4.41 -0.00 -1.17 -4.28 117.46 114.17 2wft n PHE 415 Ca -0.20 -0.13 -0.47 0.00 -0.00 0.00 0.00 57.45 56.65 2wft n PHE 415 Cb 0.76 -0.51 -0.02 0.00 -0.00 0.00 0.00 39.48 39.71 2wft n PHE 415 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2wft n PRO 421 N 2.96 0.62 0.18 -7.13 -0.02 -1.26 -5.11 135.00 125.24 2wft n PRO 421 Ca 0.04 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 2wft n PRO 421 Cb 0.08 -1.40 0.28 0.00 -0.02 0.00 0.00 33.50 32.44 2wft n PRO 421 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wft h PRO 422 N 1.51 0.00 -0.66 0.52 0.14 -2.00 -2.80 132.00 128.71 2wft h PRO 422 Ca -0.34 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.79 2wft h PRO 422 Cb 1.39 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.50 2wft h PRO 422 CO 0.59 0.42 0.37 0.93 0.14 0.00 0.00 178.00 180.45 2wft h GLU 423 N 0.00 0.93 -6.87 0.86 3.07 -1.89 -3.42 114.58 107.26 2wft h GLU 423 Ca -0.00 -0.11 -0.55 0.00 -0.50 0.00 0.00 59.36 58.20 2wft h GLU 423 Cb 0.98 -0.18 0.11 0.00 -0.84 0.00 0.00 28.75 28.82 2wft h GLU 423 CO 0.06 0.69 0.67 0.28 -1.40 0.00 0.00 179.01 179.31 2wft n VAL 424 N -4.53 2.05 -0.21 3.13 0.31 -1.06 -1.58 118.33 116.45 2wft n VAL 424 Ca 0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2wft n VAL 424 Cb 0.09 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 2wft n VAL 424 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2wft n PHE 425 N 0.35 0.00 0.00 3.52 7.35 -0.45 -4.41 117.46 123.82 2wft n PHE 425 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 2wft n PHE 425 Cb 0.38 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.21 2wft n PHE 425 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wft n ALA 426 N -0.26 0.00 -3.52 3.13 0.00 -1.17 -4.90 120.51 113.78 2wft n ALA 426 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2wft n ALA 426 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 2wft n ALA 426 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2wft s HIS 427 N -2.00 0.32 0.00 0.00 -3.43 -1.26 -0.29 115.29 108.63 2wft s HIS 427 Ca 0.00 -0.81 0.00 0.00 -0.80 0.00 0.00 55.06 53.45 2wft s HIS 427 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2wft s HIS 427 CO 0.00 -1.33 0.00 0.41 -2.00 0.00 0.00 174.74 171.82 2wft n GLY 428 N -0.51 0.97 3.78 -1.38 0.00 -0.20 -4.95 105.19 102.91 2wft n GLY 428 Ca -0.05 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2wft n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wft s LEU 429 N 0.00 4.15 0.00 0.99 1.43 0.04 -5.01 118.68 120.28 2wft s LEU 429 Ca 0.00 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2wft s LEU 429 Cb 0.00 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 2wft s LEU 429 CO 0.00 -0.42 -0.02 1.41 0.23 0.00 0.00 176.35 177.55 2wft n HIS 430 N -0.03 0.00 -3.49 0.29 8.25 -1.26 -3.58 115.22 115.40 2wft n HIS 430 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.24 2wft n HIS 430 Cb 0.50 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 2wft n HIS 430 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wft n ASP 431 N -2.73 0.56 -4.81 0.41 4.64 -1.26 -0.82 116.55 112.53 2wft n ASP 431 Ca -0.01 -2.64 -0.34 0.00 -1.38 0.00 0.00 54.79 50.43 2wft n ASP 431 Cb 0.03 -0.61 -0.06 0.00 -1.04 0.00 0.00 41.12 39.44 2wft n ASP 431 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2wft s PRO 432 N -0.52 4.09 0.00 -0.67 0.05 -1.26 -2.94 135.00 133.74 2wft s PRO 432 Ca 0.32 1.23 0.00 0.00 0.05 0.00 0.00 61.00 62.59 2wft s PRO 432 Cb 0.04 -2.18 0.00 0.00 0.05 0.00 0.00 34.50 32.41 2wft s PRO 432 CO -0.18 -0.17 0.00 0.41 0.05 0.00 0.00 177.00 177.12 2wft n GLY 433 N -0.43 1.30 3.72 0.56 0.00 -0.71 -4.78 105.19 104.86 2wft n GLY 433 Ca 0.08 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2wft n GLY 433 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wft s ARG 434 N 2.35 4.48 -0.17 1.61 3.00 -0.97 -4.86 118.95 124.40 2wft s ARG 434 Ca 0.00 1.79 -0.11 0.00 -1.00 0.00 0.00 55.73 56.42 2wft s ARG 434 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 34.95 31.60 2wft s ARG 434 CO 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 175.30 175.34 2wft s ALA 436 N 0.07 2.26 -0.28 0.00 0.00 -0.04 -4.82 121.76 118.95 2wft s ALA 436 Ca 0.12 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2wft s ALA 436 Cb -0.12 -3.30 0.12 0.00 0.00 0.00 0.00 23.12 19.82 2wft s ALA 436 CO 0.01 -1.71 0.24 0.08 0.00 0.00 0.00 175.76 174.39 2wft s VAL 437 N -2.73 -0.31 -0.07 0.00 1.01 -1.26 -2.19 120.40 114.86 2wft s VAL 437 Ca 0.63 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2wft s VAL 437 Cb -0.19 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2wft s VAL 437 CO 0.52 -0.50 0.73 -0.62 0.00 0.00 0.00 175.10 175.23 2wft s ASP 438 N 2.29 7.00 -0.40 3.32 3.68 0.53 -4.65 116.67 128.44 2wft s ASP 438 Ca 0.09 1.21 -0.11 0.00 2.13 0.00 0.00 52.55 55.87 2wft s ASP 438 Cb -0.15 -2.42 0.05 0.00 -1.45 0.00 0.00 42.92 38.95 2wft s ASP 438 CO -0.31 -0.15 0.25 -0.13 0.13 0.00 0.00 175.17 174.95 2wft s ARG 439 N 0.95 2.74 -0.00 4.34 0.52 -1.26 -2.05 118.95 124.18 2wft s ARG 439 Ca 0.38 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2wft s ARG 439 Cb -0.18 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.51 2wft s ARG 439 CO 0.18 -0.84 -0.01 -1.17 0.02 0.00 0.00 175.30 173.48 2wft s LEU 448 N 1.50 1.90 -0.07 2.53 0.20 -1.26 -4.98 118.68 118.50 2wft s LEU 448 Ca 0.02 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.86 2wft s LEU 448 Cb -0.21 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.44 2wft s LEU 448 CO 0.05 0.00 -0.17 0.42 -0.29 0.00 0.00 176.35 176.35 2wft s THR 449 N 0.09 2.74 -0.14 3.68 -4.23 -0.87 -5.13 115.64 111.78 2wft s THR 449 Ca -0.01 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2wft s THR 449 Cb -0.02 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 2wft s THR 449 CO -0.00 0.57 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.86 2wft s ILE 450 N -0.30 2.76 -0.08 2.99 1.09 -1.26 -0.35 121.20 126.05 2wft s ILE 450 Ca 0.02 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 58.85 2wft s ILE 450 Cb -0.13 -2.15 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 2wft s ILE 450 CO 0.03 0.52 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.46 2wft s LEU 451 N 0.60 2.53 -0.10 2.97 1.02 -0.93 -4.14 118.68 120.64 2wft s LEU 451 Ca -0.09 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.73 2wft s LEU 451 Cb -0.16 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.55 2wft s LEU 451 CO 0.03 0.26 -0.08 0.00 0.02 0.00 0.00 176.35 176.57 2wft s SER 453 N 1.43 6.65 -0.03 0.00 1.04 -1.26 -3.07 113.70 118.47 2wft s SER 453 Ca -0.00 2.55 0.02 0.00 0.48 0.00 0.00 55.95 59.00 2wft s SER 453 Cb -0.13 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.40 2wft s SER 453 CO -0.05 -0.77 -0.08 -0.62 0.98 0.00 0.00 173.24 172.70 2wft s ASP 454 N 1.03 1.10 -0.55 7.02 -1.08 -0.88 -1.73 116.67 121.58 2wft s ASP 454 Ca 0.67 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.60 2wft s ASP 454 Cb -0.42 -0.32 0.24 0.00 -1.46 0.00 0.00 42.92 40.96 2wft s ASP 454 CO 0.32 0.05 0.64 -1.54 0.52 0.00 0.00 175.17 175.16 2wft n SER 455 N 3.38 2.33 0.15 -0.34 3.41 -1.15 -3.08 113.62 118.32 2wft n SER 455 Ca -0.19 -3.13 0.09 0.00 -0.26 0.00 0.00 58.87 55.38 2wft n SER 455 Cb 0.54 -0.66 0.14 0.00 -0.26 0.00 0.00 64.21 63.97 2wft n SER 455 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wft n ASN 456 N 1.17 0.00 -1.76 4.04 0.23 -1.26 -4.60 115.26 113.08 2wft n ASN 456 Ca 0.26 0.58 -0.02 0.00 -0.53 0.00 0.00 54.58 54.88 2wft n ASN 456 Cb 0.45 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 38.04 2wft n ASN 456 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2wft n SER 461 N -2.74 3.82 -4.92 0.53 3.41 -1.25 -4.81 113.62 107.66 2wft n SER 461 Ca 0.08 -2.06 -0.20 0.00 -0.26 0.00 0.00 58.87 56.43 2wft n SER 461 Cb 1.17 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 2wft n SER 461 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wft s SER 462 N 2.07 5.37 -0.44 4.04 1.04 -1.18 -4.99 113.70 119.61 2wft s SER 462 Ca 0.11 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2wft s SER 462 Cb 0.05 -0.76 0.22 0.00 0.10 0.00 0.00 66.02 65.64 2wft s SER 462 CO 0.00 -0.59 0.63 0.00 0.98 0.00 0.00 173.24 174.26 2wft n ALA 463 N -1.60 0.69 -0.81 5.32 0.00 -1.26 -2.07 120.51 120.78 2wft n ALA 463 Ca 0.03 -2.38 -0.22 0.00 0.00 0.00 0.00 53.44 50.87 2wft n ALA 463 Cb 0.60 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 19.00 2wft n ALA 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wft n ARG 464 N 1.96 0.00 -0.21 0.00 5.12 -1.17 -4.68 116.66 117.67 2wft n ARG 464 Ca 0.18 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2wft n ARG 464 Cb 0.56 -0.89 -0.00 0.00 -1.16 0.00 0.00 32.46 30.96 2wft n ARG 464 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2wft n ILE 465 N -2.95 0.00 0.00 0.55 3.06 -1.26 -2.83 119.36 115.93 2wft n ILE 465 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 2wft n ILE 465 Cb 0.42 0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.62 2wft n ILE 465 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2wft n GLY 489 N 0.00 0.00 3.69 4.50 0.00 -1.26 -4.46 105.19 107.66 2wft n GLY 489 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2wft n GLY 489 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wft s PRO 490 N 0.00 4.12 0.28 1.61 0.05 -1.26 -4.54 135.00 135.25 2wft s PRO 490 Ca 0.00 -0.25 -0.18 0.00 0.05 0.00 0.00 61.00 60.62 2wft s PRO 490 Cb 0.00 -3.46 -0.09 0.00 0.05 0.00 0.00 34.50 31.00 2wft s PRO 490 CO 0.00 0.18 0.75 -0.51 0.05 0.00 0.00 177.00 177.47 2wft s LEU 491 N 0.70 4.21 0.07 -3.56 1.43 -1.26 -4.29 118.68 115.97 2wft s LEU 491 Ca 0.07 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 2wft s LEU 491 Cb -0.12 -3.85 -0.18 0.00 0.03 0.00 0.00 46.19 42.06 2wft s LEU 491 CO 0.01 -0.09 1.24 0.58 0.23 0.00 0.00 176.35 178.32 2wft h VAL 492 N 2.38 1.32 0.00 -1.59 2.07 -1.08 -3.45 116.25 115.90 2wft h VAL 492 Ca -0.48 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2wft h VAL 492 Cb 1.18 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2wft h VAL 492 CO 0.65 0.61 0.00 0.61 0.02 0.00 0.00 177.57 179.46 2wft n GLY 493 N 0.80 -0.58 3.83 2.17 0.00 -1.22 -2.28 105.19 107.90 2wft n GLY 493 Ca -0.09 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 2wft n GLY 493 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wft s GLY 494 N 0.00 0.10 0.14 -0.02 0.00 -0.42 -1.99 107.32 105.13 2wft s GLY 494 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.16 2wft s GLY 494 CO 0.00 0.25 0.37 -0.11 0.00 0.00 0.00 173.10 173.61 2wft s PHE 495 N -2.89 -0.05 -0.34 1.90 -0.71 0.29 -3.29 117.98 112.91 2wft s PHE 495 Ca 0.15 -0.30 -0.09 0.00 -1.04 0.00 0.00 56.93 55.65 2wft s PHE 495 Cb -0.04 0.18 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2wft s PHE 495 CO 0.08 -0.71 0.14 0.08 -1.34 0.00 0.00 175.22 173.47 2wft s VAL 496 N -3.85 4.26 -0.08 -2.49 1.01 -1.26 0.19 120.40 118.18 2wft s VAL 496 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2wft s VAL 496 Cb 0.02 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2wft s VAL 496 CO -0.09 -0.10 1.51 -0.47 0.00 0.00 0.00 175.10 175.95 2wft s TYR 497 N 1.52 2.34 -0.13 5.22 5.04 -0.41 -4.88 117.35 126.04 2wft s TYR 497 Ca 0.02 0.51 0.15 0.00 -2.44 0.00 0.00 57.07 55.30 2wft s TYR 497 Cb -0.18 -3.76 0.34 0.00 0.35 0.00 0.00 41.96 38.70 2wft s TYR 497 CO 0.05 -3.04 1.17 0.54 -1.34 0.00 0.00 175.55 172.93 2wft n ARG 498 N 6.80 1.07 -2.00 4.97 3.00 -1.26 -0.99 116.66 128.25 2wft n ARG 498 Ca 0.16 -2.63 -0.29 0.00 -0.01 0.00 0.00 57.85 55.07 2wft n ARG 498 Cb 0.43 -1.20 0.20 0.00 0.00 0.00 0.00 32.46 31.89 2wft n ARG 498 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2wft s GLY 499 N -2.69 1.82 -0.03 -0.13 0.00 -1.15 -4.74 107.32 100.41 2wft s GLY 499 Ca 0.31 -1.37 0.13 0.00 0.00 0.00 0.00 44.72 43.79 2wft s GLY 499 CO -0.05 -0.56 0.26 0.00 0.00 0.00 0.00 173.10 172.75 2wft h GLN 501 N 0.00 0.70 -5.46 0.00 -0.00 -1.93 -3.40 115.11 105.01 2wft h GLN 501 Ca -0.03 -0.68 -0.59 0.00 -0.00 0.00 0.00 58.65 57.34 2wft h GLN 501 Cb 0.70 0.18 -0.11 0.00 0.00 0.00 0.00 27.48 28.25 2wft h GLN 501 CO 0.00 1.27 -0.29 0.45 0.00 0.00 0.00 178.83 180.26 2wft s SER 502 N -7.21 6.43 -0.17 -0.69 0.15 -1.26 -4.75 113.70 106.20 2wft s SER 502 Ca -0.09 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 56.80 2wft s SER 502 Cb 0.08 -2.20 -0.23 0.00 -1.71 0.00 0.00 66.02 61.96 2wft s SER 502 CO 0.91 0.04 0.51 -0.33 1.20 0.00 0.00 173.24 175.57 2wft h GLU 503 N 6.92 0.00 -0.31 5.44 5.08 -1.91 -3.34 114.58 126.46 2wft h GLU 503 Ca -0.40 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2wft h GLU 503 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2wft h GLU 503 CO 0.74 1.00 0.51 0.07 -1.00 0.00 0.00 179.01 180.33 2wft h ARG 504 N -1.00 0.00 0.00 2.33 0.11 -1.98 -1.74 114.38 112.10 2wft h ARG 504 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2wft h ARG 504 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2wft h ARG 504 CO -0.10 0.00 -1.24 -0.11 0.10 0.00 0.00 179.97 178.62 2wft n LEU 505 N -3.33 0.56 -4.61 0.08 7.94 -1.26 -4.90 117.00 111.48 2wft n LEU 505 Ca 0.05 -0.32 -0.43 0.00 -1.11 0.00 0.00 56.01 54.20 2wft n LEU 505 Cb 0.65 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.59 2wft n LEU 505 CO 0.21 0.14 0.61 0.00 -1.11 0.00 0.00 177.39 177.24 2wft n TYR 506 N -1.71 1.35 0.00 1.96 9.36 -0.66 -0.71 117.16 126.75 2wft n TYR 506 Ca 0.01 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.87 2wft n TYR 506 Cb 0.37 -2.26 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 2wft n TYR 506 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wft n GLY 507 N 1.15 1.51 3.79 2.98 0.00 -0.16 -4.99 105.19 109.47 2wft n GLY 507 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2wft n GLY 507 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wft s SER 508 N -2.97 6.10 -0.22 1.61 0.01 0.11 -4.76 113.70 113.58 2wft s SER 508 Ca 0.00 2.05 -0.17 0.00 1.31 0.00 0.00 55.95 59.14 2wft s SER 508 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2wft s SER 508 CO 0.00 -0.95 0.46 -0.31 0.41 0.00 0.00 173.24 172.85 2wft s TYR 509 N -1.86 3.34 -0.13 2.43 1.51 -1.15 -1.29 117.35 120.20 2wft s TYR 509 Ca 0.69 0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 57.38 2wft s TYR 509 Cb -0.20 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2wft s TYR 509 CO 0.24 -0.11 -0.05 0.08 -1.11 0.00 0.00 175.55 174.60 2wft s VAL 510 N 1.66 3.80 0.10 0.71 1.01 0.13 -1.10 120.40 126.71 2wft s VAL 510 Ca 0.21 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2wft s VAL 510 Cb -0.15 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2wft s VAL 510 CO 0.09 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.20 2wft s PHE 511 N -0.03 1.46 0.04 5.22 0.40 0.33 -0.55 117.98 124.86 2wft s PHE 511 Ca 0.01 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2wft s PHE 511 Cb -0.13 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.62 2wft s PHE 511 CO 0.03 0.14 0.22 0.20 0.70 0.00 0.00 175.22 176.51 2wft s GLY 512 N -2.09 -0.01 0.57 4.36 0.00 -0.84 -0.91 107.32 108.39 2wft s GLY 512 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 44.72 44.62 2wft s GLY 512 CO 0.03 -0.39 0.78 0.51 0.00 0.00 0.00 173.10 174.03 2wft s ASP 513 N -2.08 5.08 0.36 1.64 -4.77 -1.16 -0.49 116.67 115.25 2wft s ASP 513 Ca -0.05 -0.56 0.14 0.00 -3.30 0.00 0.00 52.55 48.78 2wft s ASP 513 Cb -0.01 -0.11 0.99 0.00 -1.09 0.00 0.00 42.92 42.69 2wft s ASP 513 CO -0.04 -1.30 1.75 -0.09 0.70 0.00 0.00 175.17 176.19 2wft h ARG 514 N 0.12 0.48 -0.36 2.11 2.43 -1.84 -1.67 114.38 115.66 2wft h ARG 514 Ca -0.35 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2wft h ARG 514 Cb 1.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2wft h ARG 514 CO 0.43 0.32 0.00 -1.71 -1.51 0.00 0.00 179.97 177.50 2wft n ASN 515 N -4.75 2.99 0.00 -3.80 5.15 -1.26 -0.22 115.26 113.37 2wft n ASN 515 Ca 0.26 -1.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.31 2wft n ASN 515 Cb 0.80 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2wft n ASN 515 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wft n GLY 516 N 1.41 0.78 3.53 8.20 0.00 -0.63 -5.01 105.19 113.47 2wft n GLY 516 Ca 0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2wft n GLY 516 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wft s ASN 517 N -2.51 6.25 0.47 1.61 -0.87 -1.26 -4.93 114.94 113.71 2wft s ASN 517 Ca 0.00 -0.45 -0.04 0.00 -1.57 0.00 0.00 52.86 50.80 2wft s ASN 517 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 41.25 38.70 2wft s ASN 517 CO 0.00 -1.56 0.74 -0.36 -2.57 0.00 0.00 177.10 173.35 2wft s PHE 518 N 4.85 3.46 0.09 2.20 0.08 -1.26 -2.98 117.98 124.43 2wft s PHE 518 Ca 0.33 0.63 -0.12 0.00 0.12 0.00 0.00 56.93 57.88 2wft s PHE 518 Cb -0.11 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 2wft s PHE 518 CO 0.17 -0.30 0.29 -0.48 -0.10 0.00 0.00 175.22 174.80 2wft s LEU 519 N -4.68 0.93 0.20 -0.37 0.05 -0.09 -2.86 118.68 111.87 2wft s LEU 519 Ca 0.47 -0.43 0.10 0.00 0.05 0.00 0.00 54.13 54.32 2wft s LEU 519 Cb -0.10 1.40 -0.04 0.00 -2.05 0.00 0.00 46.19 45.39 2wft s LEU 519 CO 0.42 -0.75 -0.13 0.28 -0.55 0.00 0.00 176.35 175.63 2wft s THR 520 N -3.54 2.94 -0.20 5.48 -1.32 0.78 -0.51 115.64 119.27 2wft s THR 520 Ca 0.02 -1.86 -0.02 0.00 -1.21 0.00 0.00 61.69 58.62 2wft s THR 520 Cb 0.02 -2.47 0.06 0.00 -1.51 0.00 0.00 72.50 68.60 2wft s THR 520 CO -0.10 -0.17 0.01 -0.76 -2.21 0.00 0.00 174.62 171.39 2wft s LEU 521 N -2.96 1.48 0.12 9.08 1.43 -0.25 -1.85 118.68 125.73 2wft s LEU 521 Ca 0.25 -0.86 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2wft s LEU 521 Cb -0.08 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 2wft s LEU 521 CO 0.14 -0.28 -0.01 -1.10 0.23 0.00 0.00 176.35 175.33 2wft s GLN 522 N 1.75 2.43 -0.55 1.70 -0.21 0.29 -2.95 119.66 122.12 2wft s GLN 522 Ca -0.02 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.21 2wft s GLN 522 Cb -0.17 -2.44 0.08 0.00 1.00 0.00 0.00 33.01 31.48 2wft s GLN 522 CO -0.07 0.50 0.66 -1.14 -2.12 0.00 0.00 175.29 173.12 2wft s GLN 523 N -2.52 3.08 0.15 2.91 0.74 -1.26 -0.26 119.66 122.50 2wft s GLN 523 Ca 0.26 -1.09 -0.34 0.00 0.05 0.00 0.00 55.36 54.23 2wft s GLN 523 Cb -0.11 -4.18 -0.15 0.00 1.10 0.00 0.00 33.01 29.68 2wft s GLN 523 CO 0.18 -1.37 1.51 0.45 -0.55 0.00 0.00 175.29 175.50 2wft n SER 524 N 6.25 2.70 -0.96 6.67 2.88 -0.71 -4.81 113.62 125.64 2wft n SER 524 Ca -0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2wft n SER 524 Cb 0.44 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2wft n SER 524 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wft n PRO 525 N 3.11 0.49 0.00 -1.46 -0.02 -1.26 -3.05 135.00 132.81 2wft n PRO 525 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2wft n PRO 525 Cb 0.26 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2wft n PRO 525 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wft n VAL 526 N 0.72 0.00 0.00 -1.45 3.14 -1.26 -5.24 118.33 114.23 2wft n VAL 526 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wft n VAL 526 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 2wft n VAL 526 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2wft n GLN 529 N 0.00 0.00 -2.89 1.45 -0.06 -1.17 -5.21 117.38 109.50 2wft n GLN 529 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2wft n GLN 529 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 2wft n GLN 529 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 2wft s TRP 530 N 0.00 -0.94 0.61 3.69 -0.11 -1.26 -1.73 118.94 119.20 2wft s TRP 530 Ca 0.00 0.02 -0.00 0.00 1.22 0.00 0.00 56.10 57.34 2wft s TRP 530 Cb 0.00 0.18 0.06 0.00 -1.50 0.00 0.00 33.47 32.21 2wft s TRP 530 CO 0.00 -0.66 0.86 -0.65 -4.62 0.00 0.00 176.95 171.88 2wft s GLN 531 N 1.64 2.26 0.16 5.86 1.11 0.64 -4.79 119.66 126.54 2wft s GLN 531 Ca 0.18 -0.83 0.04 0.00 0.01 0.00 0.00 55.36 54.76 2wft s GLN 531 Cb 0.02 -2.41 -0.05 0.00 -1.01 0.00 0.00 33.01 29.56 2wft s GLN 531 CO -0.11 -0.98 -0.07 -1.83 0.01 0.00 0.00 175.29 172.32 2wft s GLU 532 N -4.92 1.08 -0.26 2.91 4.04 -1.26 0.10 118.70 120.40 2wft s GLU 532 Ca 0.60 -1.48 -0.26 0.00 0.04 0.00 0.00 54.97 53.86 2wft s GLU 532 Cb -0.09 -0.51 0.14 0.00 0.02 0.00 0.00 34.13 33.69 2wft s GLU 532 CO 0.41 0.00 1.13 0.15 -1.84 0.00 0.00 175.26 175.11 2wft s LYS 533 N -3.80 0.41 0.69 -4.83 1.02 -0.77 -4.96 119.74 107.50 2wft s LYS 533 Ca 0.19 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.39 2wft s LYS 533 Cb 0.04 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 2wft s LYS 533 CO 0.02 -0.08 1.11 -2.14 -0.92 0.00 0.00 175.35 173.34 2wft s PRO 534 N -0.21 2.65 -0.06 -1.68 0.02 -1.26 -0.16 135.00 134.30 2wft s PRO 534 Ca 0.03 1.36 0.02 0.00 0.02 0.00 0.00 61.00 62.43 2wft s PRO 534 Cb -0.04 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.57 2wft s PRO 534 CO -0.06 -1.36 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.98 2wft s LEU 535 N -5.10 1.48 0.26 -5.54 0.20 -1.13 -4.71 118.68 104.13 2wft s LEU 535 Ca 0.66 -0.24 0.10 0.00 0.69 0.00 0.00 54.13 55.34 2wft s LEU 535 Cb -0.20 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 2wft s LEU 535 CO 0.45 -0.01 -0.01 0.00 -0.29 0.00 0.00 176.35 176.48 2wft s LEU 537 N -3.65 2.78 0.06 0.00 1.43 -1.26 -0.10 118.68 117.94 2wft s LEU 537 Ca 0.31 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2wft s LEU 537 Cb -0.06 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2wft s LEU 537 CO 0.20 0.31 0.11 -0.83 0.23 0.00 0.00 176.35 176.36 2wft s GLY 538 N -0.49 0.21 0.26 -3.19 0.00 0.47 -4.77 107.32 99.80 2wft s GLY 538 Ca 0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 2wft s GLY 538 CO 0.02 -0.88 0.98 -1.59 0.00 0.00 0.00 173.10 171.63 2wft s THR 539 N -3.44 3.93 -0.32 0.90 2.01 -1.26 -3.74 115.64 113.72 2wft s THR 539 Ca 0.02 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.96 2wft s THR 539 Cb 0.04 -4.21 0.16 0.00 0.01 0.00 0.00 72.50 68.50 2wft s THR 539 CO -0.09 0.43 0.41 -0.44 -0.69 0.00 0.00 174.62 174.25 2wft s SER 540 N -1.14 0.54 1.13 3.53 0.01 -0.19 -4.90 113.70 112.67 2wft s SER 540 Ca 0.43 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2wft s SER 540 Cb -0.27 0.99 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2wft s SER 540 CO 0.34 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2wft n GLY 541 N 4.98 2.17 0.04 3.44 0.00 -1.26 -2.22 105.19 112.34 2wft n GLY 541 Ca 0.04 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.68 2wft n GLY 541 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wft n SER 542 N 4.01 0.18 -4.32 1.61 3.41 -1.26 -4.67 113.62 112.57 2wft n SER 542 Ca 0.00 0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 58.76 2wft n SER 542 Cb 0.00 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 2wft n SER 542 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wft s ARG 544 N 1.48 2.88 -0.25 0.00 1.81 -0.92 -1.03 118.95 122.92 2wft s ARG 544 Ca 0.02 -0.34 0.13 0.00 -1.72 0.00 0.00 55.73 53.82 2wft s ARG 544 Cb -0.21 -2.42 0.71 0.00 -0.45 0.00 0.00 34.95 32.58 2wft s ARG 544 CO 0.04 -0.56 1.67 0.41 -0.68 0.00 0.00 175.30 176.18 2wft n GLY 545 N -2.36 3.56 3.39 -3.53 0.00 -1.24 -0.64 105.19 104.37 2wft n GLY 545 Ca 0.04 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 2wft n GLY 545 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wft s TYR 546 N -2.88 1.15 0.22 1.61 -0.85 -1.26 -4.54 117.35 110.79 2wft s TYR 546 Ca 0.51 -1.32 -0.14 0.00 -0.52 0.00 0.00 57.07 55.60 2wft s TYR 546 Cb 0.40 -0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.46 2wft s TYR 546 CO 0.13 -0.95 0.47 -0.59 -1.52 0.00 0.00 175.55 173.09 2wft s PHE 547 N -3.52 0.18 0.36 -3.49 -0.12 -1.26 -4.75 117.98 105.37 2wft s PHE 547 Ca 0.34 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.65 2wft s PHE 547 Cb 0.02 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2wft s PHE 547 CO 0.19 -0.93 0.61 -1.54 -0.05 0.00 0.00 175.22 173.50 2wft s SER 548 N -2.96 6.34 0.41 1.98 1.04 -1.26 -4.97 113.70 114.29 2wft s SER 548 Ca 0.16 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2wft s SER 548 Cb -0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2wft s SER 548 CO 0.03 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2wft n GLY 549 N -1.60 -0.76 3.55 7.32 0.00 -1.26 -4.62 105.19 107.81 2wft n GLY 549 Ca -0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 2wft n GLY 549 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wft s HIS 550 N 0.00 2.67 -0.03 1.61 0.09 0.17 -4.87 115.29 114.94 2wft s HIS 550 Ca 0.00 -0.19 -0.30 0.00 -0.00 0.00 0.00 55.06 54.57 2wft s HIS 550 Cb 0.00 -1.40 -0.04 0.00 -0.00 0.00 0.00 32.58 31.15 2wft s HIS 550 CO 0.00 0.42 1.22 0.42 -0.00 0.00 0.00 174.74 176.80 2wft s ILE 551 N -1.22 4.17 -0.08 0.60 1.01 0.69 -1.46 121.20 124.91 2wft s ILE 551 Ca 0.21 1.52 0.13 0.00 0.00 0.00 0.00 60.65 62.51 2wft s ILE 551 Cb -0.11 -3.98 -0.19 0.00 0.01 0.00 0.00 42.46 38.19 2wft s ILE 551 CO 0.13 0.02 0.17 0.18 0.00 0.00 0.00 174.94 175.44 2wft n LEU 552 N 4.99 0.00 0.00 2.97 4.77 0.26 -4.71 117.00 125.28 2wft n LEU 552 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 2wft n LEU 552 Cb 0.46 0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2wft n LEU 552 CO 0.56 0.19 0.69 0.61 -1.33 0.00 0.00 177.39 178.10 2wft n GLY 553 N 1.94 0.65 3.45 -0.72 0.00 -1.13 -4.87 105.19 104.51 2wft n GLY 553 Ca -0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 2wft n GLY 553 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wft s PHE 554 N -2.77 1.98 0.01 1.61 0.08 -1.26 -1.46 117.98 116.17 2wft s PHE 554 Ca 0.19 -0.87 -0.08 0.00 0.12 0.00 0.00 56.93 56.29 2wft s PHE 554 Cb -0.02 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2wft s PHE 554 CO 0.03 0.11 0.16 0.20 -0.10 0.00 0.00 175.22 175.62 2wft s GLY 555 N -3.48 0.04 -0.01 4.36 0.00 -0.30 -2.52 107.32 105.41 2wft s GLY 555 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 2wft s GLY 555 CO 0.14 -0.33 0.03 1.85 0.00 0.00 0.00 173.10 174.79 2wft s GLU 556 N -1.80 0.01 0.55 2.90 2.12 -0.84 0.13 118.70 121.77 2wft s GLU 556 Ca -0.11 0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.40 2wft s GLU 556 Cb -0.05 -0.08 0.07 0.00 0.26 0.00 0.00 34.13 34.33 2wft s GLU 556 CO -0.00 -0.06 0.72 0.16 -0.54 0.00 0.00 175.26 175.53 2wft s ASP 557 N 0.41 5.12 0.54 -1.70 3.84 -0.18 -3.52 116.67 121.18 2wft s ASP 557 Ca -0.03 -0.84 0.32 0.00 -0.00 0.00 0.00 52.55 52.00 2wft s ASP 557 Cb -0.05 0.18 1.51 0.00 -1.38 0.00 0.00 42.92 43.19 2wft s ASP 557 CO -0.01 -1.24 2.06 -0.08 -0.00 0.00 0.00 175.17 175.90 2wft h GLU 558 N 0.31 0.00 -0.01 2.11 4.81 -1.89 0.66 114.58 120.57 2wft h GLU 558 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2wft h GLU 558 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wft h GLU 558 CO 0.43 0.08 -0.17 1.28 -0.73 0.00 0.00 179.01 179.91 2wft n LEU 559 N -3.34 0.70 0.00 1.64 4.77 -1.26 -4.92 117.00 114.59 2wft n LEU 559 Ca -0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2wft n LEU 559 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2wft n LEU 559 CO 0.28 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2wft n GLY 560 N 1.30 0.62 3.84 -0.72 0.00 0.22 -4.00 105.19 106.46 2wft n GLY 560 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2wft n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wft s GLU 561 N -0.92 4.00 0.11 1.61 0.41 -1.26 -2.91 118.70 119.73 2wft s GLU 561 Ca 0.00 0.89 0.07 0.00 -0.41 0.00 0.00 54.97 55.52 2wft s GLU 561 Cb 0.00 -2.22 -0.04 0.00 -1.78 0.00 0.00 34.13 30.09 2wft s GLU 561 CO 0.00 -0.13 -0.09 0.14 -0.49 0.00 0.00 175.26 174.69 2wft s VAL 562 N -2.41 3.41 0.16 2.63 -7.23 -1.26 -1.01 120.40 114.70 2wft s VAL 562 Ca 0.58 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 2wft s VAL 562 Cb -0.10 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2wft s VAL 562 CO 0.25 0.10 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.68 2wft s TYR 563 N -1.25 1.60 -0.10 2.82 2.02 0.12 -1.63 117.35 120.93 2wft s TYR 563 Ca 0.22 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.32 2wft s TYR 563 Cb -0.11 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 2wft s TYR 563 CO 0.14 0.26 0.04 0.42 -1.57 0.00 0.00 175.55 174.84 2wft s ILE 564 N -2.53 4.62 -0.15 2.71 1.01 0.64 -1.14 121.20 126.36 2wft s ILE 564 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 2wft s ILE 564 Cb -0.03 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2wft s ILE 564 CO 0.05 0.59 -0.05 -0.76 0.00 0.00 0.00 174.94 174.77 2wft s LEU 565 N -0.77 3.17 0.08 2.97 1.02 -0.53 -1.03 118.68 123.59 2wft s LEU 565 Ca 0.12 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.13 2wft s LEU 565 Cb -0.12 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 2wft s LEU 565 CO 0.03 0.17 -0.06 -0.94 0.02 0.00 0.00 176.35 175.57 2wft s SER 566 N 0.36 0.98 0.27 2.29 1.04 -0.37 -0.58 113.70 117.69 2wft s SER 566 Ca -0.05 -0.97 -0.21 0.00 0.48 0.00 0.00 55.95 55.20 2wft s SER 566 Cb -0.14 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.11 2wft s SER 566 CO 0.03 -0.48 0.71 -0.55 0.98 0.00 0.00 173.24 173.94 2wft s SER 567 N -2.91 -0.27 0.22 7.02 0.15 -0.53 -1.23 113.70 116.14 2wft s SER 567 Ca 0.09 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2wft s SER 567 Cb 0.05 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 65.06 2wft s SER 567 CO -0.05 -1.33 0.15 -1.54 1.20 0.00 0.00 173.24 171.67 2wft n SER 568 N -0.45 -0.06 0.08 5.45 3.41 -1.26 0.45 113.62 121.24 2wft n SER 568 Ca -0.05 -2.36 -0.08 0.00 -0.26 0.00 0.00 58.87 56.12 2wft n SER 568 Cb 0.59 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 2wft n SER 568 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wft h LYS 569 N 0.00 0.20 -0.38 4.33 3.64 -2.01 -1.70 116.57 120.64 2wft h LYS 569 Ca -0.16 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 2wft h LYS 569 Cb 0.75 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2wft h LYS 569 CO 0.24 0.94 -0.21 1.03 -2.27 0.00 0.00 179.45 179.17 2wft h SER 570 N 0.11 0.85 -0.72 4.20 0.87 -2.01 -3.26 113.55 113.59 2wft h SER 570 Ca -0.04 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 2wft h SER 570 Cb 1.47 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 2wft h SER 570 CO 0.13 1.08 0.43 -0.03 -0.53 0.00 0.00 176.83 177.91 2wft h MET 571 N 0.62 0.99 0.00 2.24 -1.53 -1.85 -3.15 114.93 112.25 2wft h MET 571 Ca 0.08 -0.09 -0.06 0.00 -3.44 0.00 0.00 59.70 56.19 2wft h MET 571 Cb 0.77 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.61 2wft h MET 571 CO 0.06 0.70 -0.31 0.00 0.14 0.00 0.00 176.91 177.50 2wft h THR 572 N 0.99 0.46 -0.01 -0.77 1.03 -1.41 0.38 112.91 113.58 2wft h THR 572 Ca 0.26 -1.66 -0.16 0.00 -0.01 0.00 0.00 66.41 64.84 2wft h THR 572 Cb -0.02 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 69.25 2wft h THR 572 CO -0.05 0.26 -0.75 -0.61 -0.01 0.00 0.00 175.52 174.37 2wft h GLN 573 N 0.00 0.06 -0.31 0.00 4.15 -1.59 -3.26 115.11 114.17 2wft h GLN 573 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2wft h GLN 573 Cb 1.21 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 2wft h GLN 573 CO 0.03 0.78 0.00 0.25 -1.93 0.00 0.00 178.83 177.97 2wft n THR 574 N -3.69 2.37 -3.83 2.39 -2.24 -1.23 -4.98 114.28 103.07 2wft n THR 574 Ca -0.02 -1.88 -0.34 0.00 -2.27 0.00 0.00 64.05 59.55 2wft n THR 574 Cb 0.72 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2wft n THR 574 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wft n HIS 575 N -0.43 -1.74 -2.54 4.78 8.25 -1.15 -4.93 115.22 117.46 2wft n HIS 575 Ca 0.23 0.42 -0.25 0.00 -0.26 0.00 0.00 57.72 57.86 2wft n HIS 575 Cb 0.94 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.72 2wft n HIS 575 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wft n ASN 576 N -2.62 4.24 -4.83 0.41 5.15 0.13 -3.62 115.26 114.12 2wft n ASN 576 Ca -0.14 -3.58 -0.31 0.00 -0.60 0.00 0.00 54.58 49.95 2wft n ASN 576 Cb 0.60 -0.48 0.05 0.00 -0.53 0.00 0.00 39.78 39.43 2wft n ASN 576 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2wft s GLY 577 N -3.47 1.65 0.04 8.20 0.00 0.33 -4.58 107.32 109.48 2wft s GLY 577 Ca 0.45 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2wft s GLY 577 CO -0.16 0.25 -0.06 0.54 0.00 0.00 0.00 173.10 173.67 2wft s LYS 578 N -5.15 0.47 -0.27 2.90 1.02 -0.37 -1.68 119.74 116.66 2wft s LYS 578 Ca 0.58 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.78 2wft s LYS 578 Cb -0.13 -0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 2wft s LYS 578 CO 0.54 0.01 0.02 -1.17 -0.92 0.00 0.00 175.35 173.83 2wft s LEU 579 N -1.63 3.51 -0.03 3.17 2.96 -0.59 -1.24 118.68 124.84 2wft s LEU 579 Ca -0.11 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 2wft s LEU 579 Cb -0.09 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2wft s LEU 579 CO -0.01 -0.15 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.53 2wft s TYR 580 N 1.44 2.99 -0.04 5.38 2.02 -0.20 0.02 117.35 128.96 2wft s TYR 580 Ca 0.02 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.74 2wft s TYR 580 Cb -0.17 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2wft s TYR 580 CO -0.00 0.40 0.11 0.21 -1.57 0.00 0.00 175.55 174.70 2wft s LYS 581 N -1.26 3.24 -0.05 -0.62 2.20 0.33 -0.26 119.74 123.33 2wft s LYS 581 Ca 0.16 -0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 55.24 2wft s LYS 581 Cb -0.11 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2wft s LYS 581 CO 0.06 0.69 0.51 0.42 -0.36 0.00 0.00 175.35 176.67 2wft s ILE 582 N -1.15 5.06 -0.01 5.43 1.01 -0.64 -0.88 121.20 130.00 2wft s ILE 582 Ca 0.21 1.04 0.04 0.00 0.00 0.00 0.00 60.65 61.94 2wft s ILE 582 Cb -0.12 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2wft s ILE 582 CO 0.11 0.41 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 2wft s VAL 583 N 0.00 1.07 -0.54 2.92 1.01 -0.30 -4.71 120.40 119.87 2wft s VAL 583 Ca 0.27 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 2wft s VAL 583 Cb -0.17 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2wft s VAL 583 CO 0.13 0.30 0.67 -0.62 0.00 0.00 0.00 175.10 175.59 2wft s ASP 584 N -0.28 6.21 0.40 3.32 -1.08 -1.26 -1.69 116.67 122.30 2wft s ASP 584 Ca 0.05 -1.04 0.29 0.00 -0.52 0.00 0.00 52.55 51.33 2wft s ASP 584 Cb -0.06 -2.30 1.26 0.00 -1.46 0.00 0.00 42.92 40.36 2wft s ASP 584 CO -0.00 -0.98 1.86 1.55 0.52 0.00 0.00 175.17 178.11 2wft h PRO 585 N 9.07 0.00 0.00 4.34 0.14 -1.95 -1.96 132.00 141.64 2wft h PRO 585 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 2wft h PRO 585 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.23 2wft h PRO 585 CO 1.01 0.00 0.00 0.87 0.14 0.00 0.00 178.00 180.02 2wft h LYS 586 N 0.00 0.00 -6.17 0.86 1.57 -1.92 -3.45 116.57 107.46 2wft h LYS 586 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2wft h LYS 586 Cb 0.35 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2wft h LYS 586 CO 0.00 0.00 -0.56 1.03 -0.57 0.00 0.00 179.45 179.35 2wft s ARG 587 N -3.53 2.56 0.89 3.15 1.81 -0.74 -5.13 118.95 117.96 2wft s ARG 587 Ca 0.03 -1.32 -0.10 0.00 -1.72 0.00 0.00 55.73 52.62 2wft s ARG 587 Cb 0.08 -2.33 0.13 0.00 -0.45 0.00 0.00 34.95 32.38 2wft s ARG 587 CO 0.58 0.28 1.14 -2.14 -0.68 0.00 0.00 175.30 174.47 2wft s PRO 588 N -3.81 1.24 0.24 3.54 0.02 -1.26 -4.89 135.00 130.08 2wft s PRO 588 Ca 0.35 1.48 0.11 0.00 0.02 0.00 0.00 61.00 62.96 2wft s PRO 588 Cb -0.06 -1.76 0.20 0.00 0.02 0.00 0.00 34.50 32.90 2wft s PRO 588 CO 0.23 -2.45 1.51 -0.07 -0.33 0.00 0.00 177.00 175.88 2wft h LEU 589 N -1.74 0.00 -6.33 -5.54 3.38 -1.95 -3.38 115.31 99.75 2wft h LEU 589 Ca -0.43 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.95 2wft h LEU 589 Cb 1.26 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.63 2wft h LEU 589 CO 0.43 0.69 -0.97 0.80 0.09 0.00 0.00 178.44 179.48 2wft n MET 590 N -3.56 0.47 -1.61 1.13 1.56 -1.26 -4.98 117.12 108.87 2wft n MET 590 Ca -0.00 -3.31 -0.40 0.00 -0.27 0.00 0.00 57.70 53.71 2wft n MET 590 Cb 0.71 -1.63 0.02 0.00 2.15 0.00 0.00 33.22 34.48 2wft n MET 590 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2wft n PRO 591 N 2.41 1.25 -0.30 2.12 -0.02 -1.26 -4.88 135.00 134.32 2wft n PRO 591 Ca 0.27 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 2wft n PRO 591 Cb 0.48 -2.08 0.19 0.00 -0.02 0.00 0.00 33.50 32.08 2wft n PRO 591 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wft h GLU 592 N 1.28 0.06 0.00 -0.52 3.07 -1.99 -0.51 114.58 115.97 2wft h GLU 592 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2wft h GLU 592 Cb 1.34 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2wft h GLU 592 CO 0.55 0.04 0.00 -0.85 -1.40 0.00 0.00 179.01 177.35 2wft n GLU 593 N -5.43 0.11 0.00 2.33 0.00 -1.26 -2.96 120.64 113.43 2wft n GLU 593 Ca 0.17 0.50 0.11 0.00 0.00 0.00 0.00 57.16 57.94 2wft n GLU 593 Cb 0.56 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.22 2wft n GLU 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wft s ARG 595 N -2.42 3.40 -0.13 0.00 0.52 -1.15 -5.01 118.95 114.15 2wft s ARG 595 Ca 0.19 2.09 -0.17 0.00 -0.52 0.00 0.00 55.73 57.32 2wft s ARG 595 Cb 0.18 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 33.35 2wft s ARG 595 CO 0.55 -0.94 0.44 0.00 0.02 0.00 0.00 175.30 175.37 2wft s ALA 596 N -1.37 -1.11 -0.18 2.13 0.00 -1.26 -5.14 121.76 114.83 2wft s ALA 596 Ca 0.68 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.59 2wft s ALA 596 Cb -0.37 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2wft s ALA 596 CO 0.44 -0.23 0.41 0.99 0.00 0.00 0.00 175.76 177.36 2wft s THR 597 N -0.14 5.21 0.03 0.00 2.01 -1.26 -5.02 115.64 116.46 2wft s THR 597 Ca -0.03 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2wft s THR 597 Cb -0.03 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 2wft s THR 597 CO 0.02 0.28 1.51 -0.69 -0.69 0.00 0.00 174.62 175.05 2wft s VAL 598 N 1.07 3.43 -0.52 3.82 1.01 -1.26 -4.96 120.40 123.00 2wft s VAL 598 Ca 0.20 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 2wft s VAL 598 Cb -0.15 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.83 2wft s VAL 598 CO 0.08 -0.00 0.34 -1.10 0.00 0.00 0.00 175.10 174.41 2wft s GLN 599 N 2.54 2.34 0.26 2.72 -0.21 -0.65 -5.01 119.66 121.65 2wft s GLN 599 Ca 0.68 -2.11 -0.31 0.00 0.02 0.00 0.00 55.36 53.65 2wft s GLN 599 Cb -0.35 -3.72 -0.13 0.00 1.00 0.00 0.00 33.01 29.81 2wft s GLN 599 CO 0.29 -1.14 1.35 -2.30 -2.12 0.00 0.00 175.29 171.37 2wft n PRO 600 N 4.20 1.96 -1.81 2.91 -0.02 -1.26 -3.12 135.00 137.85 2wft n PRO 600 Ca 0.01 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2wft n PRO 600 Cb 0.40 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 2wft n PRO 600 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wft s ALA 601 N -0.31 3.73 0.14 3.55 0.00 -1.26 -4.96 121.76 122.65 2wft s ALA 601 Ca 0.66 1.53 0.03 0.00 0.00 0.00 0.00 51.96 54.18 2wft s ALA 601 Cb -0.65 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 2wft s ALA 601 CO 0.53 -0.94 0.18 -0.65 0.00 0.00 0.00 175.76 174.88 2wft s GLN 602 N -0.43 3.13 0.46 0.00 -1.52 -1.26 -4.90 119.66 115.13 2wft s GLN 602 Ca 0.63 -0.71 -0.24 0.00 -1.95 0.00 0.00 55.36 53.08 2wft s GLN 602 Cb -0.47 -2.80 -0.08 0.00 -0.22 0.00 0.00 33.01 29.44 2wft s GLN 602 CO 0.47 0.52 1.32 2.41 -0.25 0.00 0.00 175.29 179.76 2wft n THR 603 N -0.23 2.90 -1.60 -0.19 -1.04 -1.26 -4.73 114.28 108.13 2wft n THR 603 Ca -0.08 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.05 60.93 2wft n THR 603 Cb 0.54 -1.65 -0.05 0.00 -1.82 0.00 0.00 70.33 67.35 2wft n THR 603 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wft n LEU 604 N -0.16 1.80 0.00 -4.42 7.94 -1.26 -4.93 117.00 115.97 2wft n LEU 604 Ca 0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2wft n LEU 604 Cb 0.41 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2wft n LEU 604 CO 0.58 -1.01 -0.14 1.07 -1.11 0.00 0.00 177.39 176.78 2wft n THR 605 N 2.40 0.00 -1.33 1.96 5.66 -1.26 -4.92 114.28 116.78 2wft n THR 605 Ca 0.17 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.49 2wft n THR 605 Cb 0.21 0.83 0.05 0.00 -1.55 0.00 0.00 70.33 69.87 2wft n THR 605 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2wft n SER 606 N -1.02 -1.77 0.02 1.09 3.41 -1.26 -4.79 113.62 109.30 2wft n SER 606 Ca 0.00 0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 2wft n SER 606 Cb 0.00 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 62.78 2wft n SER 606 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wft h GLU 607 N -0.10 -0.03 -0.87 4.33 4.81 -1.96 -2.66 114.58 118.11 2wft h GLU 607 Ca -0.45 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 2wft h GLU 607 Cb 1.38 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 2wft h GLU 607 CO 0.43 -0.02 0.56 0.00 -0.73 0.00 0.00 179.01 179.26 2wft h SER 609 N 0.87 1.10 0.51 0.00 0.87 -1.82 -1.18 113.55 113.91 2wft h SER 609 Ca 0.39 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2wft h SER 609 Cb 0.37 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2wft h SER 609 CO -0.16 1.00 -0.49 0.03 -0.53 0.00 0.00 176.83 176.68 2wft h ARG 610 N 1.14 0.00 0.00 2.24 3.08 -1.22 -3.39 114.38 116.22 2wft h ARG 610 Ca 0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2wft h ARG 610 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2wft h ARG 610 CO -0.01 0.49 -1.64 1.28 -1.07 0.00 0.00 179.97 179.02 2wft n LEU 611 N -3.92 0.63 -4.49 3.04 4.77 -1.12 -4.86 117.00 111.04 2wft n LEU 611 Ca -0.01 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 2wft n LEU 611 Cb 0.51 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2wft n LEU 611 CO 0.40 0.33 1.72 0.00 -1.33 0.00 0.00 177.39 178.50 2wft h ARG 613 N 8.87 0.50 -2.71 0.00 2.47 -1.88 -3.41 114.38 118.22 2wft h ARG 613 Ca 0.31 -0.85 -0.81 0.00 -1.26 0.00 0.00 59.98 57.37 2wft h ARG 613 Cb 0.89 0.32 -0.27 0.00 -1.65 0.00 0.00 29.97 29.25 2wft h ARG 613 CO 1.36 1.41 0.92 0.09 0.56 0.00 0.00 179.97 184.31 2wft n ASN 614 N -3.76 6.73 0.00 7.04 3.02 -1.26 -4.88 115.26 122.16 2wft n ASN 614 Ca -0.18 -3.50 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 2wft n ASN 614 Cb 1.07 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2wft n ASN 614 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wft n GLY 615 N 0.90 -0.03 3.10 7.41 0.00 -1.26 -0.92 105.19 114.39 2wft n GLY 615 Ca 0.34 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2wft n GLY 615 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wft s TYR 616 N -4.00 0.02 0.11 1.61 -0.85 -0.75 -4.87 117.35 108.62 2wft s TYR 616 Ca 0.00 -0.07 -0.13 0.00 -0.52 0.00 0.00 57.07 56.35 2wft s TYR 616 Cb 0.00 -0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.24 2wft s TYR 616 CO 0.00 -0.26 0.48 0.00 -1.52 0.00 0.00 175.55 174.25 2wft s THR 618 N -1.39 4.95 0.43 0.00 -4.23 -0.24 -4.94 115.64 110.22 2wft s THR 618 Ca 0.34 0.08 0.18 0.00 -1.18 0.00 0.00 61.69 61.11 2wft s THR 618 Cb -0.15 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.01 2wft s THR 618 CO 0.18 -0.78 1.49 -0.65 -0.54 0.00 0.00 174.62 174.32 2wft h PRO 619 N 0.37 0.00 0.00 3.99 0.11 -1.85 -0.18 132.00 134.45 2wft h PRO 619 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wft h PRO 619 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wft h PRO 619 CO 0.62 0.00 -0.91 0.25 -0.21 0.00 0.00 178.00 177.75 2wft n THR 620 N -2.47 0.10 0.00 -1.15 -2.24 -1.26 -4.90 114.28 102.35 2wft n THR 620 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2wft n THR 620 Cb 0.49 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2wft n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wft n GLY 621 N 1.42 0.99 3.61 3.38 0.00 -0.08 -5.07 105.19 109.44 2wft n GLY 621 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2wft n GLY 621 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wft s LYS 622 N -0.61 3.86 0.15 1.61 2.36 -1.25 -4.60 119.74 121.25 2wft s LYS 622 Ca 0.00 0.63 -0.30 0.00 -2.55 0.00 0.00 55.97 53.75 2wft s LYS 622 Cb 0.00 -3.80 -0.07 0.00 -1.05 0.00 0.00 37.83 32.90 2wft s LYS 622 CO 0.00 -0.97 1.20 0.00 1.55 0.00 0.00 175.35 177.13 2wft n SER 626 N 0.07 -3.39 -4.72 0.00 7.64 -0.10 -4.86 113.62 108.27 2wft n SER 626 Ca 0.04 -0.57 -0.40 0.00 1.01 0.00 0.00 58.87 58.95 2wft n SER 626 Cb 0.43 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 2wft n SER 626 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2wft s PRO 627 N -4.20 4.46 0.00 1.43 0.02 -1.26 -3.68 135.00 131.77 2wft s PRO 627 Ca 0.44 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2wft s PRO 627 Cb -0.08 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2wft s PRO 627 CO 0.37 0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.51 2wft n GLY 628 N 3.02 0.93 3.17 0.52 0.00 -1.26 -4.97 105.19 106.59 2wft n GLY 628 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2wft n GLY 628 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wft s TRP 629 N -2.00 0.89 0.24 1.61 0.52 -1.24 -2.21 118.94 116.75 2wft s TRP 629 Ca 0.00 -1.07 -0.16 0.00 0.02 0.00 0.00 56.10 54.89 2wft s TRP 629 Cb 0.00 -0.53 0.06 0.00 -1.15 0.00 0.00 33.47 31.85 2wft s TRP 629 CO 0.00 -0.32 0.79 -0.85 0.02 0.00 0.00 176.95 176.59 2wft n GLU 630 N -0.08 0.75 0.00 4.98 0.28 -0.37 -4.82 120.64 121.38 2wft n GLU 630 Ca -0.09 -1.56 0.00 0.00 -0.16 0.00 0.00 57.16 55.35 2wft n GLU 630 Cb 0.62 2.02 0.00 0.00 1.43 0.00 0.00 31.44 35.51 2wft n GLU 630 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wft n GLY 631 N -0.54 2.05 0.23 -1.84 0.00 -1.26 -1.54 105.19 102.29 2wft n GLY 631 Ca -0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.01 2wft n GLY 631 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wft h ASP 632 N 0.00 -0.46 -0.59 1.61 5.19 -2.00 -2.30 116.42 117.88 2wft h ASP 632 Ca 0.00 0.17 -0.36 0.00 -0.62 0.00 0.00 57.03 56.22 2wft h ASP 632 Cb 0.00 0.34 -0.21 0.00 0.18 0.00 0.00 39.33 39.63 2wft h ASP 632 CO 0.00 -0.17 0.00 0.49 -3.12 0.00 0.00 179.24 176.44 2wft n PHE 633 N -5.37 1.90 -2.63 4.55 3.01 -1.26 -4.52 117.46 113.15 2wft n PHE 633 Ca 0.08 -1.96 -0.12 0.00 1.01 0.00 0.00 57.45 56.46 2wft n PHE 633 Cb 0.33 -0.66 -0.00 0.00 -0.01 0.00 0.00 39.48 39.14 2wft n PHE 633 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wft h ARG 635 N -0.17 0.00 -5.53 0.00 3.08 -1.81 -3.38 114.38 106.58 2wft h ARG 635 Ca -0.26 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.15 2wft h ARG 635 Cb 1.18 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.12 2wft h ARG 635 CO 0.31 0.79 -0.52 0.95 -1.07 0.00 0.00 179.97 180.43 2wft s THR 636 N -2.80 5.15 0.37 2.04 -4.23 -0.59 -4.95 115.64 110.64 2wft s THR 636 Ca 0.02 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2wft s THR 636 Cb 0.09 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 2wft s THR 636 CO 0.79 0.54 0.67 0.00 -0.54 0.00 0.00 174.62 176.09 2wft s ALA 637 N -0.38 3.49 -0.08 3.99 0.00 -1.26 -1.24 121.76 126.28 2wft s ALA 637 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2wft s ALA 637 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2wft s ALA 637 CO 0.01 0.02 -0.07 0.15 0.00 0.00 0.00 175.76 175.87 2wft s LYS 638 N -3.94 2.92 -0.15 0.00 1.02 -0.94 -4.90 119.74 113.75 2wft s LYS 638 Ca 0.47 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 2wft s LYS 638 Cb -0.10 -2.63 0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2wft s LYS 638 CO 0.34 0.56 0.08 0.00 -0.92 0.00 0.00 175.35 175.41 2wft s GLU 640 N 2.12 1.76 0.26 0.00 2.56 -1.26 -3.06 118.70 121.08 2wft s GLU 640 Ca 0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 54.97 54.32 2wft s GLU 640 Cb -0.15 -1.68 -0.13 0.00 2.00 0.00 0.00 34.13 34.17 2wft s GLU 640 CO -0.08 -0.19 1.44 -2.30 -0.56 0.00 0.00 175.26 173.57 2wft n PRO 641 N 4.66 2.21 -1.24 4.30 -0.02 -1.26 -4.97 135.00 138.68 2wft n PRO 641 Ca -0.16 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 2wft n PRO 641 Cb 0.50 -2.47 0.11 0.00 -0.02 0.00 0.00 33.50 31.63 2wft n PRO 641 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wft s ALA 642 N -0.14 1.95 0.33 3.55 0.00 -1.17 -4.93 121.76 121.34 2wft s ALA 642 Ca 0.66 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 2wft s ALA 642 Cb -0.60 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 18.93 2wft s ALA 642 CO 0.51 -2.13 1.25 0.00 0.00 0.00 0.00 175.76 175.38 2wft s ARG 644 N -1.76 2.67 -1.36 0.00 1.81 0.74 -4.52 118.95 116.53 2wft s ARG 644 Ca 0.49 -1.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.05 2wft s ARG 644 Cb -0.37 -2.45 0.06 0.00 -0.45 0.00 0.00 34.95 31.75 2wft s ARG 644 CO 0.49 0.03 0.56 0.72 -0.68 0.00 0.00 175.30 176.42 2wft n HIS 645 N -1.41 -1.86 0.00 -0.53 8.25 -1.26 -4.23 115.22 114.18 2wft n HIS 645 Ca -0.01 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 2wft n HIS 645 Cb 0.60 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 28.41 2wft n HIS 645 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wft n GLY 646 N -1.28 0.71 0.35 -1.41 0.00 -1.26 -4.89 105.19 97.41 2wft n GLY 646 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2wft n GLY 646 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wft n GLY 647 N 0.00 0.05 3.66 -0.02 0.00 -1.26 -4.64 105.19 102.98 2wft n GLY 647 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2wft n GLY 647 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wft s VAL 648 N 0.00 5.31 -0.78 1.61 1.01 -0.63 -4.66 120.40 122.25 2wft s VAL 648 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 2wft s VAL 648 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2wft s VAL 648 CO 0.00 0.35 1.54 0.00 0.00 0.00 0.00 175.10 177.00 2wft h VAL 650 N 6.55 1.43 -3.89 0.00 2.07 -1.75 -3.39 116.25 117.27 2wft h VAL 650 Ca -0.13 -2.08 -0.28 0.00 0.82 0.00 0.00 66.70 65.03 2wft h VAL 650 Cb 1.07 2.70 -0.15 0.00 -1.52 0.00 0.00 31.29 33.39 2wft h VAL 650 CO 1.29 0.48 -0.65 -0.13 0.02 0.00 0.00 177.57 178.58 2wft s ARG 651 N -2.09 1.13 -0.06 1.57 0.52 -1.24 -4.70 118.95 114.08 2wft s ARG 651 Ca -0.15 -1.56 -0.38 0.00 -0.52 0.00 0.00 55.73 53.12 2wft s ARG 651 Cb -0.02 -0.18 -0.17 0.00 0.52 0.00 0.00 34.95 35.10 2wft s ARG 651 CO 0.55 -0.18 1.47 -2.30 0.02 0.00 0.00 175.30 174.86 2wft n PRO 652 N -0.25 1.07 -3.99 3.54 -0.02 -1.26 -0.49 135.00 133.60 2wft n PRO 652 Ca -0.05 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 2wft n PRO 652 Cb 0.64 -2.03 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2wft n PRO 652 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wft n ASN 653 N 3.49 -3.94 -3.75 2.55 4.13 -0.04 -4.97 115.26 112.72 2wft n ASN 653 Ca 0.22 -0.84 -0.21 0.00 1.68 0.00 0.00 54.58 55.43 2wft n ASN 653 Cb 0.16 -3.20 -0.17 0.00 -1.54 0.00 0.00 39.78 35.03 2wft n ASN 653 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2wft s LYS 654 N -6.69 0.34 -0.13 3.52 2.47 0.36 -5.06 119.74 114.55 2wft s LYS 654 Ca 0.67 0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 55.26 2wft s LYS 654 Cb -0.36 -0.74 -0.02 0.00 -1.46 0.00 0.00 37.83 35.26 2wft s LYS 654 CO 0.83 -0.28 -0.11 0.00 0.16 0.00 0.00 175.35 175.96 2wft s LEU 656 N 0.24 4.14 0.13 0.00 2.96 0.68 -4.91 118.68 121.93 2wft s LEU 656 Ca -0.07 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.92 2wft s LEU 656 Cb -0.15 -3.28 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 2wft s LEU 656 CO 0.05 -0.47 0.46 0.00 -1.32 0.00 0.00 176.35 175.06 2wft s LYS 658 N -2.19 4.56 0.12 0.00 -0.14 -1.26 -5.00 119.74 115.83 2wft s LYS 658 Ca 0.38 1.16 -0.31 0.00 -1.36 0.00 0.00 55.97 55.84 2wft s LYS 658 Cb -0.13 -3.19 -0.10 0.00 -1.68 0.00 0.00 37.83 32.73 2wft s LYS 658 CO 0.20 0.53 1.79 0.21 -0.76 0.00 0.00 175.35 177.32 2wft s LYS 659 N -1.31 4.15 0.00 1.68 2.20 -1.26 -2.85 119.74 122.35 2wft s LYS 659 Ca 0.38 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 2wft s LYS 659 Cb -0.22 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 2wft s LYS 659 CO 0.26 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2wft n GLY 660 N 4.18 1.92 3.43 5.54 0.00 -1.26 -5.11 105.19 113.88 2wft n GLY 660 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2wft n GLY 660 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wft s TYR 661 N -1.92 -0.55 0.11 1.61 2.02 -1.13 -2.89 117.35 114.61 2wft s TYR 661 Ca 0.00 1.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.94 2wft s TYR 661 Cb 0.00 0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.74 2wft s TYR 661 CO 0.00 -0.36 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.06 2wft s LEU 662 N -0.22 2.40 0.00 -1.29 2.01 -0.38 -4.73 118.68 116.47 2wft s LEU 662 Ca -0.04 -1.05 0.00 0.00 0.01 0.00 0.00 54.13 53.05 2wft s LEU 662 Cb -0.03 -0.05 0.00 0.00 0.01 0.00 0.00 46.19 46.12 2wft s LEU 662 CO 0.03 -0.50 0.00 0.61 1.01 0.00 0.00 176.35 177.50 2wft n GLY 663 N -0.08 2.70 0.25 -3.19 0.00 -1.26 -0.54 105.19 103.07 2wft n GLY 663 Ca -0.11 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.09 2wft n GLY 663 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wft n PRO 664 N 0.63 -0.06 -0.07 1.61 -0.02 -1.26 -1.05 135.00 134.77 2wft n PRO 664 Ca 0.00 1.08 0.02 0.00 -2.02 0.00 0.00 63.50 62.58 2wft n PRO 664 Cb 0.00 -1.71 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 2wft n PRO 664 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wft n GLN 665 N -4.99 2.88 -0.99 -0.52 3.00 -1.26 -4.15 117.38 111.35 2wft n GLN 665 Ca 0.17 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 2wft n GLN 665 Cb 0.55 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.65 2wft n GLN 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wft n GLU 667 N -2.34 0.16 -3.15 0.00 0.00 -1.14 -4.13 120.64 110.05 2wft n GLU 667 Ca 0.00 0.45 -0.40 0.00 0.00 0.00 0.00 57.16 57.22 2wft n GLU 667 Cb 0.07 -1.85 -0.06 0.00 0.00 0.00 0.00 31.44 29.60 2wft n GLU 667 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2wft s GLN 668 N -3.33 4.20 0.19 3.44 1.11 0.30 -4.94 119.66 120.63 2wft s GLN 668 Ca 0.03 0.57 -0.30 0.00 0.01 0.00 0.00 55.36 55.67 2wft s GLN 668 Cb 0.08 -3.58 -0.08 0.00 -1.01 0.00 0.00 33.01 28.43 2wft s GLN 668 CO 0.33 -0.23 1.12 0.14 0.01 0.00 0.00 175.29 176.66 2wft s VAL 669 N 1.88 3.77 0.00 1.09 -7.23 -1.26 -1.25 120.40 117.40 2wft s VAL 669 Ca 0.28 1.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 2wft s VAL 669 Cb -0.16 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2wft s VAL 669 CO 0.10 0.27 0.00 -0.67 -0.31 0.00 0.00 175.10 174.49 2wft n ASP 670 N 2.27 0.00 0.00 4.85 -0.08 -1.14 -4.97 116.55 117.48 2wft n ASP 670 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2wft n ASP 670 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2wft n ASP 670 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86