#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 2.31 -4.77 0.41 3.02 -1.26 -5.02 115.26 109.95 2wft n ASN 215 Ca 0.00 -2.11 -0.30 0.00 -0.03 0.00 0.00 54.58 52.14 2wft n ASN 215 Cb 0.00 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.00 2.75 0.27 0.00 0.08 0.96 -4.65 117.98 114.40 2wft s PHE 217 Ca 0.61 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.23 2wft s PHE 217 Cb -0.16 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2wft s PHE 217 CO 0.56 -0.07 0.10 0.00 -0.10 0.00 0.00 175.22 175.71 2wft s ILE 219 N -3.69 1.66 -0.12 0.00 1.09 0.36 -0.49 121.20 120.02 2wft s ILE 219 Ca 0.37 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 59.14 2wft s ILE 219 Cb 0.07 -1.48 -0.02 0.00 -1.06 0.00 0.00 42.46 39.97 2wft s ILE 219 CO 0.14 0.47 -0.08 -1.58 -0.10 0.00 0.00 174.94 173.80 2wft s GLN 220 N 0.63 3.29 0.23 2.79 2.00 -0.31 -1.89 119.66 126.39 2wft s GLN 220 Ca -0.14 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 52.34 2wft s GLN 220 Cb -0.16 -2.72 -0.09 0.00 0.80 0.00 0.00 33.01 30.84 2wft s GLN 220 CO 0.04 0.37 1.01 -2.00 -0.50 0.00 0.00 175.29 174.21 2wft s GLU 221 N -0.01 4.74 -0.06 1.67 2.12 -1.26 -0.47 118.70 125.42 2wft s GLU 221 Ca -0.01 1.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.91 2wft s GLU 221 Cb -0.14 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2wft s GLU 221 CO 0.03 0.33 -0.07 0.28 -0.54 0.00 0.00 175.26 175.29 2wft n VAL 222 N 1.68 0.33 -3.86 3.70 0.31 0.14 -4.89 118.33 115.75 2wft n VAL 222 Ca -0.01 -0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 2wft n VAL 222 Cb 0.46 -1.35 -0.08 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.11 0.13 0.41 2.52 -7.23 -1.15 -5.01 120.40 107.95 2wft s VAL 223 Ca -0.08 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2wft s VAL 223 Cb 0.03 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 2wft s VAL 223 CO 0.11 -0.59 0.15 -1.54 -0.31 0.00 0.00 175.10 172.93 2wft n SER 224 N 0.28 1.15 -0.40 4.85 3.41 -1.26 -1.04 113.62 120.61 2wft n SER 224 Ca -0.17 -3.21 -0.05 0.00 -0.26 0.00 0.00 58.87 55.18 2wft n SER 224 Cb 0.61 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.61 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 -0.85 0.78 3.86 5.00 0.00 -0.95 -4.95 105.19 108.07 2wft n GLY 225 Ca -0.05 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.18 3.29 -0.45 0.99 1.43 -0.54 -4.72 118.68 117.51 2wft s LEU 226 Ca 0.00 1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 54.42 2wft s LEU 226 Cb 0.00 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.78 2wft s LEU 226 CO 0.00 -0.92 0.45 -0.13 0.23 0.00 0.00 176.35 175.98 2wft s ARG 227 N -4.93 3.05 -0.53 1.70 0.52 -1.26 -0.81 118.95 116.69 2wft s ARG 227 Ca 0.56 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 2wft s ARG 227 Cb -0.11 -4.04 0.02 0.00 0.52 0.00 0.00 34.95 31.34 2wft s ARG 227 CO 0.50 -0.96 0.52 1.04 0.02 0.00 0.00 175.30 176.41 2wft n GLN 228 N 5.56 -1.41 -2.29 3.54 6.02 -1.26 -3.87 117.38 123.67 2wft n GLN 228 Ca -0.09 0.86 -0.36 0.00 -0.01 0.00 0.00 57.00 57.40 2wft n GLN 228 Cb 0.46 -1.72 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 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 -3.31 3.62 0.00 -1.09 0.04 -1.26 -1.24 135.00 131.76 2wft s PRO 229 Ca 0.15 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2wft s PRO 229 Cb -0.02 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2wft s PRO 229 CO 0.73 -0.64 0.00 1.33 0.04 0.00 0.00 177.00 178.46 2wft n VAL 230 N -0.82 0.00 0.00 -0.36 0.24 -0.06 -4.73 118.33 112.59 2wft n VAL 230 Ca 0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2wft n VAL 230 Cb 0.50 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 1.04 -0.81 3.45 7.63 0.00 -1.25 -4.27 105.19 110.98 2wft n GLY 231 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.43 0.25 4.61 0.00 -0.96 -0.81 121.76 121.42 2wft s ALA 232 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 2wft s ALA 232 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2wft s ALA 232 CO 0.00 -0.31 0.66 -0.48 0.00 0.00 0.00 175.76 175.64 2wft s LEU 233 N -0.58 -0.26 0.57 0.00 2.34 -0.39 -2.06 118.68 118.30 2wft s LEU 233 Ca -0.07 -0.49 0.07 0.00 0.06 0.00 0.00 54.13 53.70 2wft s LEU 233 Cb -0.03 2.59 0.06 0.00 -0.56 0.00 0.00 46.19 48.26 2wft s LEU 233 CO 0.05 -1.23 0.58 -1.38 -1.06 0.00 0.00 176.35 173.30 2wft s HIS 234 N -3.89 1.44 -0.43 3.48 -3.43 -1.22 0.72 115.29 111.97 2wft s HIS 234 Ca 0.09 -0.82 0.06 0.00 -0.80 0.00 0.00 55.06 53.60 2wft s HIS 234 Cb -0.04 -2.02 0.17 0.00 -1.43 0.00 0.00 32.58 29.25 2wft s HIS 234 CO 0.02 -0.81 1.14 -1.13 -2.00 0.00 0.00 174.74 171.96 2wft n SER 235 N -1.99 2.50 -0.71 7.38 3.41 -1.26 -4.81 113.62 118.14 2wft n SER 235 Ca 0.06 -2.07 -0.07 0.00 -0.26 0.00 0.00 58.87 56.52 2wft n SER 235 Cb 0.63 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.07 0.71 1.20 5.00 0.00 -1.26 -4.68 105.19 106.08 2wft n GLY 236 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.32 3.48 0.00 1.61 5.68 -1.26 -4.80 116.55 120.95 2wft n ASP 237 Ca -0.07 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 2wft n ASP 237 Cb 0.43 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 0.89 2.26 0.02 6.12 0.00 -1.26 -4.90 105.19 108.32 2wft n GLY 238 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.40 -0.79 1.61 3.41 -1.18 -1.64 113.62 115.43 2wft n SER 239 Ca 0.00 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 2wft n SER 239 Cb 0.00 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.65 -1.65 -1.88 4.33 6.02 -1.26 -4.70 117.38 116.59 2wft n GLN 240 Ca 0.06 0.85 -0.37 0.00 -0.01 0.00 0.00 57.00 57.52 2wft n GLN 240 Cb 0.36 -5.24 0.04 0.00 1.02 0.00 0.00 30.24 26.42 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 -2.82 3.04 -0.11 -1.09 0.52 -1.26 -3.98 118.95 113.25 2wft s ARG 241 Ca 0.00 2.05 0.02 0.00 -0.52 0.00 0.00 55.73 57.28 2wft s ARG 241 Cb 0.00 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.38 2wft s ARG 241 CO 0.00 -1.21 -0.17 -1.17 0.02 0.00 0.00 175.30 172.77 2wft s LEU 242 N -3.78 1.80 -0.29 2.53 2.96 -0.69 -4.40 118.68 116.81 2wft s LEU 242 Ca 0.74 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 2wft s LEU 242 Cb -0.36 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2wft s LEU 242 CO 0.41 0.04 0.20 -0.36 -1.32 0.00 0.00 176.35 175.32 2wft s PHE 243 N 0.87 3.22 -0.27 5.38 0.40 0.22 -1.20 117.98 126.60 2wft s PHE 243 Ca -0.09 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 2wft s PHE 243 Cb -0.15 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 2wft s PHE 243 CO 0.00 -0.21 0.11 0.42 0.70 0.00 0.00 175.22 176.24 2wft s ILE 244 N 1.75 4.56 -0.04 0.64 1.01 0.05 -1.26 121.20 127.91 2wft s ILE 244 Ca 0.07 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 2wft s ILE 244 Cb -0.16 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2wft s ILE 244 CO 0.11 0.25 0.76 -0.76 0.00 0.00 0.00 174.94 175.30 2wft s LEU 245 N 1.64 4.35 -0.10 2.97 1.02 0.01 -1.20 118.68 127.37 2wft s LEU 245 Ca 0.06 1.32 -0.00 0.00 0.02 0.00 0.00 54.13 55.52 2wft s LEU 245 Cb -0.16 -3.20 -0.03 0.00 0.02 0.00 0.00 46.19 42.83 2wft s LEU 245 CO 0.06 -0.13 -0.07 -1.61 0.02 0.00 0.00 176.35 174.62 2wft s GLU 246 N 0.72 3.07 0.22 1.70 2.02 0.18 -0.89 118.70 125.73 2wft s GLU 246 Ca 0.40 -0.56 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 2wft s GLU 246 Cb -0.19 -2.67 0.18 0.00 0.10 0.00 0.00 34.13 31.55 2wft s GLU 246 CO 0.21 0.49 1.79 -0.22 0.02 0.00 0.00 175.26 177.54 2wft h LYS 247 N 5.83 1.18 0.00 1.61 3.64 -1.28 -1.34 116.57 126.21 2wft h LYS 247 Ca -0.41 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2wft h LYS 247 Cb 1.18 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2wft h LYS 247 CO 0.55 0.95 0.04 0.93 -2.27 0.00 0.00 179.45 179.65 2wft h GLU 248 N 1.15 0.00 0.00 1.90 5.08 -1.85 0.18 114.58 121.04 2wft h GLU 248 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2wft h GLU 248 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wft h GLU 248 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 2wft n GLY 249 N -1.24 0.77 3.15 -3.84 0.00 -0.56 -4.32 105.19 99.16 2wft n GLY 249 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.34 1.19 -0.20 1.61 2.02 -0.88 -1.58 117.35 118.16 2wft s TYR 250 Ca 0.00 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2wft s TYR 250 Cb 0.00 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2wft s TYR 250 CO 0.00 0.04 -0.16 0.08 -1.57 0.00 0.00 175.55 173.95 2wft s VAL 251 N -1.12 1.95 0.17 0.71 1.01 -0.15 0.48 120.40 123.46 2wft s VAL 251 Ca -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2wft s VAL 251 Cb -0.09 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2wft s VAL 251 CO 0.02 0.34 0.32 -0.54 0.00 0.00 0.00 175.10 175.24 2wft s LYS 252 N 1.29 3.46 -0.12 2.72 1.02 -0.34 -0.23 119.74 127.54 2wft s LYS 252 Ca 0.01 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2wft s LYS 252 Cb -0.15 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2wft s LYS 252 CO -0.10 0.47 0.00 0.42 -0.92 0.00 0.00 175.35 175.22 2wft s ILE 253 N -1.80 4.27 -0.16 2.17 1.01 -1.26 -0.77 121.20 124.65 2wft s ILE 253 Ca 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2wft s ILE 253 Cb -0.11 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.53 2wft s ILE 253 CO 0.29 0.55 -0.19 -0.22 0.00 0.00 0.00 174.94 175.38 2wft s LEU 254 N -0.36 2.26 0.70 2.97 2.96 -0.34 -1.87 118.68 124.99 2wft s LEU 254 Ca 0.07 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 2wft s LEU 254 Cb -0.12 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2wft s LEU 254 CO 0.02 0.05 1.06 0.42 -1.32 0.00 0.00 176.35 176.59 2wft s THR 255 N 0.98 3.98 0.51 3.68 -4.23 0.28 -1.70 115.64 119.14 2wft s THR 255 Ca -0.03 0.64 0.40 0.00 -1.18 0.00 0.00 61.69 61.53 2wft s THR 255 Cb -0.15 -3.46 0.42 0.00 1.34 0.00 0.00 72.50 70.66 2wft s THR 255 CO -0.04 -0.84 2.26 -0.65 -0.54 0.00 0.00 174.62 174.81 2wft h PRO 256 N -0.69 0.00 0.00 3.99 0.11 -1.86 0.34 132.00 133.89 2wft h PRO 256 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wft h PRO 256 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wft h PRO 256 CO 0.59 0.01 -0.37 0.93 -0.21 0.00 0.00 178.00 178.95 2wft h GLU 257 N 0.00 0.00 0.00 1.05 4.39 -1.94 -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 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2wft h GLU 257 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2wft n GLY 258 N 1.24 1.19 3.75 -3.84 0.00 0.11 -5.09 105.19 102.54 2wft n GLY 258 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.61 4.80 -0.25 1.61 0.41 -1.26 -4.82 118.70 118.58 2wft s GLU 259 Ca 0.00 1.45 -0.10 0.00 -0.41 0.00 0.00 54.97 55.92 2wft s GLU 259 Cb 0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2wft s GLU 259 CO 0.00 0.44 0.14 0.42 -0.49 0.00 0.00 175.26 175.77 2wft s ILE 260 N -0.85 5.08 0.35 -1.63 1.01 -1.26 -0.56 121.20 123.34 2wft s ILE 260 Ca 0.42 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.88 2wft s ILE 260 Cb -0.25 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 2wft s ILE 260 CO 0.31 0.33 1.33 -0.36 0.00 0.00 0.00 174.94 176.55 2wft s PHE 261 N 1.31 2.94 0.23 3.97 0.08 -0.78 -4.92 117.98 120.81 2wft s PHE 261 Ca 0.07 1.38 0.03 0.00 0.12 0.00 0.00 56.93 58.52 2wft s PHE 261 Cb -0.14 -3.72 0.24 0.00 -0.57 0.00 0.00 43.02 38.83 2wft s PHE 261 CO 0.06 -2.06 1.57 1.57 -0.10 0.00 0.00 175.22 176.26 2wft h LYS 262 N 3.18 0.33 -5.86 0.44 2.10 -1.97 -3.41 116.57 111.38 2wft h LYS 262 Ca -0.49 -0.21 -0.57 0.00 -2.00 0.00 0.00 60.65 57.37 2wft h LYS 262 Cb 1.23 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 32.51 2wft h LYS 262 CO 0.65 0.80 0.08 -1.21 -2.00 0.00 0.00 179.45 177.77 2wft s GLU 263 N -3.89 4.34 0.44 0.07 0.41 -1.26 -5.05 118.70 113.76 2wft s GLU 263 Ca -0.05 0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 55.00 2wft s GLU 263 Cb 0.12 -3.50 -0.10 0.00 -1.78 0.00 0.00 34.13 28.88 2wft s GLU 263 CO 0.81 -0.05 1.08 -2.30 -0.49 0.00 0.00 175.26 174.30 2wft n PRO 264 N 4.28 1.45 -0.20 0.39 -0.02 -1.26 -4.77 135.00 134.87 2wft n PRO 264 Ca -0.02 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 2wft n PRO 264 Cb 0.51 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.56 0.97 -3.49 6.00 -0.00 -0.75 -3.44 116.97 117.83 2wft h TYR 265 Ca -0.46 -0.13 -0.33 0.00 -0.00 0.00 0.00 58.73 57.82 2wft h TYR 265 Cb 1.33 -0.27 -0.34 0.00 -0.00 0.00 0.00 36.73 37.44 2wft h TYR 265 CO 0.44 0.84 -0.74 -1.17 -0.00 0.00 0.00 178.16 177.53 2wft s LEU 266 N -9.55 1.04 -0.32 2.82 2.96 -1.07 -0.34 118.68 114.22 2wft s LEU 266 Ca -0.12 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2wft s LEU 266 Cb 0.13 -0.16 0.10 0.00 0.50 0.00 0.00 46.19 46.76 2wft s LEU 266 CO 0.82 -0.13 0.08 -0.62 -1.32 0.00 0.00 176.35 175.18 2wft s ASP 267 N 1.15 4.33 -0.19 3.68 3.68 -1.26 -0.97 116.67 127.08 2wft s ASP 267 Ca -0.08 -1.85 0.13 0.00 2.13 0.00 0.00 52.55 52.88 2wft s ASP 267 Cb -0.13 -1.17 0.43 0.00 -1.45 0.00 0.00 42.92 40.60 2wft s ASP 267 CO -0.02 -0.40 1.20 2.30 0.13 0.00 0.00 175.17 178.37 2wft n ILE 268 N 4.61 1.86 0.35 4.11 -5.35 -0.62 -4.80 119.36 119.53 2wft n ILE 268 Ca 0.00 -3.05 0.13 0.00 -0.27 0.00 0.00 62.75 59.56 2wft n ILE 268 Cb 0.42 -0.13 0.55 0.00 -1.74 0.00 0.00 39.64 38.74 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 1.32 0.00 0.03 4.28 2.07 -1.73 -1.68 115.15 119.44 2wft h HIS 269 Ca 0.03 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.42 2wft h HIS 269 Cb 1.27 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.26 2wft h HIS 269 CO 0.67 0.00 -0.51 0.87 -3.07 0.00 0.00 177.93 175.89 2wft h LYS 270 N 0.00 0.29 -0.36 5.12 1.57 -1.87 -3.27 116.57 118.05 2wft h LYS 270 Ca 0.00 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.37 2wft h LYS 270 Cb 0.33 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2wft h LYS 270 CO 0.00 1.08 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.88 2wft h LEU 271 N -0.34 0.54 -9.53 2.94 3.38 -1.78 -3.44 115.31 107.07 2wft h LEU 271 Ca -0.07 -0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.22 2wft h LEU 271 Cb 1.28 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2wft h LEU 271 CO 0.10 0.61 -0.05 0.68 0.09 0.00 0.00 178.44 179.87 2wft s VAL 272 N -4.96 4.94 -0.56 1.22 -7.23 -0.69 -4.33 120.40 108.78 2wft s VAL 272 Ca -0.08 1.17 -0.21 0.00 -1.81 0.00 0.00 61.98 61.05 2wft s VAL 272 Cb 0.15 -3.89 0.07 0.00 0.56 0.00 0.00 36.38 33.26 2wft s VAL 272 CO 0.77 0.43 0.76 -1.58 -0.31 0.00 0.00 175.10 175.18 2wft s GLN 273 N -0.26 3.15 0.00 4.82 2.00 -0.16 -4.88 119.66 124.34 2wft s GLN 273 Ca 0.29 -0.83 0.00 0.00 -2.00 0.00 0.00 55.36 52.83 2wft s GLN 273 Cb -0.18 -4.14 0.00 0.00 0.80 0.00 0.00 33.01 29.49 2wft s GLN 273 CO 0.16 -1.44 0.00 0.43 -0.50 0.00 0.00 175.29 173.94 2wft n SER 274 N 6.73 0.00 0.00 6.67 7.64 -1.26 -3.20 113.62 130.20 2wft n SER 274 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2wft n SER 274 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2wft n SER 274 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wft n GLY 275 N 3.54 1.04 0.38 0.23 0.00 -1.25 -4.47 105.19 104.65 2wft n GLY 275 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2wft n GLY 275 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wft n ILE 276 N -0.05 1.09 -1.19 -0.61 -5.35 -1.26 -5.01 119.36 106.98 2wft n ILE 276 Ca 0.00 -0.28 -0.34 0.00 -0.27 0.00 0.00 62.75 61.86 2wft n ILE 276 Cb 0.00 -1.75 0.12 0.00 -1.74 0.00 0.00 39.64 36.27 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 -2.36 1.73 0.62 6.28 1.02 -1.26 -4.98 119.74 120.79 2wft s LYS 277 Ca -0.28 1.80 -0.17 0.00 0.02 0.00 0.00 55.97 57.34 2wft s LYS 277 Cb 0.11 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 2wft s LYS 277 CO 0.35 -2.15 1.17 0.20 -0.92 0.00 0.00 175.35 174.00 2wft s GLY 278 N -2.07 2.52 0.00 -3.33 0.00 -1.26 -3.07 107.32 100.12 2wft s GLY 278 Ca 0.74 0.84 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2wft s GLY 278 CO 0.49 1.22 0.00 0.61 0.00 0.00 0.00 173.10 175.42 2wft n GLY 279 N 0.18 2.85 3.55 0.20 0.00 -1.26 -4.95 105.19 105.77 2wft n GLY 279 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.45 5.55 0.00 1.61 3.68 -1.17 -4.67 116.67 121.22 2wft s ASP 280 Ca 0.00 -0.18 0.26 0.00 2.13 0.00 0.00 52.55 54.76 2wft s ASP 280 Cb 0.00 -2.55 1.30 0.00 -1.45 0.00 0.00 42.92 40.23 2wft s ASP 280 CO 0.00 -2.26 1.86 -0.62 0.13 0.00 0.00 175.17 174.28 2wft n GLU 281 N 9.15 0.39 -1.86 4.34 1.02 -0.57 -4.77 120.64 128.33 2wft n GLU 281 Ca 0.21 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.99 2wft n GLU 281 Cb 0.50 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.53 4.14 0.00 3.49 0.52 -1.26 -4.92 118.95 118.39 2wft s ARG 282 Ca 0.25 2.50 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 2wft s ARG 282 Cb 0.17 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2wft s ARG 282 CO 0.38 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2wft n GLY 283 N 0.52 -0.31 3.72 -3.53 0.00 -1.19 -3.79 105.19 100.61 2wft n GLY 283 Ca 0.01 -1.04 -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 4.39 -0.14 0.99 2.96 0.63 -1.95 118.68 125.56 2wft s LEU 284 Ca 0.00 2.08 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 2wft s LEU 284 Cb 0.00 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 2wft s LEU 284 CO 0.00 -0.45 -0.15 0.18 -1.32 0.00 0.00 176.35 174.62 2wft n LEU 285 N 3.55 2.27 -3.72 -0.68 4.77 0.64 -4.72 117.00 119.11 2wft n LEU 285 Ca 0.08 0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2wft n LEU 285 Cb 0.46 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2wft n LEU 285 CO 0.56 0.57 0.55 -0.55 -1.33 0.00 0.00 177.39 177.19 2wft s SER 286 N -5.69 -0.30 -0.14 -1.43 0.15 -1.12 -4.75 113.70 100.43 2wft s SER 286 Ca -0.19 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 55.97 2wft s SER 286 Cb 0.06 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2wft s SER 286 CO 0.29 -1.08 0.36 -0.22 1.20 0.00 0.00 173.24 173.79 2wft s LEU 287 N -2.86 0.38 -0.00 3.45 1.98 -1.26 -1.59 118.68 118.78 2wft s LEU 287 Ca 0.09 0.75 0.00 0.00 -2.89 0.00 0.00 54.13 52.08 2wft s LEU 287 Cb -0.03 1.20 0.00 0.00 0.66 0.00 0.00 46.19 48.02 2wft s LEU 287 CO 0.01 -0.15 -0.01 0.00 -1.89 0.00 0.00 176.35 174.31 2wft s ALA 288 N 0.69 0.13 -0.14 5.97 0.00 0.42 -4.80 121.76 124.04 2wft s ALA 288 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 2wft s ALA 288 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2wft s ALA 288 CO -0.05 0.01 0.14 -0.06 0.00 0.00 0.00 175.76 175.80 2wft s PHE 289 N 0.13 3.55 0.29 0.00 0.40 -1.26 -0.34 117.98 120.75 2wft s PHE 289 Ca -0.01 0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 56.51 2wft s PHE 289 Cb -0.02 -1.99 -0.14 0.00 0.51 0.00 0.00 43.02 41.38 2wft s PHE 289 CO -0.00 0.63 1.10 1.58 0.70 0.00 0.00 175.22 179.23 2wft n HIS 290 N 2.33 1.52 0.32 0.36 -0.00 0.32 -4.84 115.22 115.24 2wft n HIS 290 Ca -0.19 0.66 0.20 0.00 -0.00 0.00 0.00 57.72 58.39 2wft n HIS 290 Cb 0.54 -2.30 1.08 0.00 -0.00 0.00 0.00 29.99 29.32 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 2.33 0.00 -0.67 1.57 0.11 -1.94 -0.73 132.00 132.68 2wft h PRO 291 Ca -0.41 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.21 2wft h PRO 291 Cb 1.33 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 32.06 2wft h PRO 291 CO 0.63 0.00 -0.72 -1.71 -0.21 0.00 0.00 178.00 175.99 2wft n ASN 292 N -2.96 4.61 -0.00 -2.05 4.05 -1.26 -4.80 115.26 112.85 2wft n ASN 292 Ca -0.03 -3.77 0.03 0.00 0.45 0.00 0.00 54.58 51.26 2wft n ASN 292 Cb 0.14 -0.39 0.39 0.00 1.23 0.00 0.00 39.78 41.16 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 2.02 0.52 -0.89 1.20 5.03 -1.41 0.04 116.97 123.48 2wft h TYR 293 Ca 0.33 -0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.88 2wft h TYR 293 Cb 1.46 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 39.52 2wft h TYR 293 CO 0.86 0.38 0.63 -0.22 -1.32 0.00 0.00 178.16 178.48 2wft h LYS 294 N 0.54 0.10 0.00 1.82 3.64 -1.84 0.23 116.57 121.07 2wft h LYS 294 Ca 0.14 -0.01 -0.42 0.00 -1.27 0.00 0.00 60.65 59.10 2wft h LYS 294 Cb 0.03 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2wft h LYS 294 CO -0.02 0.07 -2.28 1.17 -2.27 0.00 0.00 179.45 176.12 2wft n LYS 295 N -4.34 0.59 0.00 1.90 4.81 -0.58 -4.77 118.16 115.77 2wft n LYS 295 Ca 0.19 0.32 0.10 0.00 -0.87 0.00 0.00 58.31 58.05 2wft n LYS 295 Cb 0.89 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 34.36 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 -4.22 0.87 -1.65 3.14 0.23 -0.10 -4.03 115.26 109.50 2wft n ASN 296 Ca -0.49 -0.81 -0.16 0.00 -0.53 0.00 0.00 54.58 52.58 2wft n ASN 296 Cb 0.86 0.84 -0.03 0.00 -2.08 0.00 0.00 39.78 39.37 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 1.50 0.26 3.80 4.83 0.00 0.05 -4.83 105.19 110.79 2wft n GLY 297 Ca 0.04 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.38 3.86 0.06 1.61 -0.14 -1.26 -0.49 119.74 119.00 2wft s LYS 298 Ca 0.00 -0.16 -0.00 0.00 -1.36 0.00 0.00 55.97 54.44 2wft s LYS 298 Cb 0.00 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 2wft s LYS 298 CO 0.00 0.51 -0.04 -0.48 -0.76 0.00 0.00 175.35 174.58 2wft s LEU 299 N -0.26 2.49 -0.04 3.17 2.34 -0.53 -0.52 118.68 125.33 2wft s LEU 299 Ca 0.11 -0.99 0.02 0.00 0.06 0.00 0.00 54.13 53.34 2wft s LEU 299 Cb -0.12 0.11 0.01 0.00 -0.56 0.00 0.00 46.19 45.63 2wft s LEU 299 CO 0.01 -0.55 -0.09 -0.31 -1.06 0.00 0.00 176.35 174.35 2wft s TYR 300 N -3.76 1.09 0.23 3.48 1.51 0.54 -0.68 117.35 119.76 2wft s TYR 300 Ca 0.08 -0.33 0.10 0.00 -1.01 0.00 0.00 57.07 55.91 2wft s TYR 300 Cb 0.07 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 2wft s TYR 300 CO -0.08 -0.18 -0.18 0.14 -1.11 0.00 0.00 175.55 174.14 2wft s VAL 301 N 0.51 2.13 -0.08 0.71 -7.23 -0.16 -0.43 120.40 115.84 2wft s VAL 301 Ca -0.09 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 2wft s VAL 301 Cb -0.12 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.70 2wft s VAL 301 CO 0.02 -0.43 -0.08 -0.94 -0.31 0.00 0.00 175.10 173.36 2wft s SER 302 N -3.25 1.82 0.23 4.85 1.04 -0.62 -0.90 113.70 116.87 2wft s SER 302 Ca 0.25 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 2wft s SER 302 Cb -0.04 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 2wft s SER 302 CO 0.11 -0.07 0.21 -0.72 0.98 0.00 0.00 173.24 173.75 2wft s TYR 303 N 1.27 1.18 -0.12 5.02 1.13 -1.09 -0.26 117.35 124.48 2wft s TYR 303 Ca -0.04 -1.36 -0.04 0.00 -1.41 0.00 0.00 57.07 54.22 2wft s TYR 303 Cb -0.14 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.20 2wft s TYR 303 CO -0.03 -0.74 0.03 0.95 -2.51 0.00 0.00 175.55 173.26 2wft s THR 304 N -3.97 4.56 0.19 -3.49 -4.23 -0.82 -0.60 115.64 107.28 2wft s THR 304 Ca 0.37 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.71 2wft s THR 304 Cb 0.05 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2wft s THR 304 CO 0.15 0.56 0.17 0.28 -0.54 0.00 0.00 174.62 175.24 2wft s THR 305 N -0.44 0.02 -0.16 3.99 -1.32 0.71 -0.98 115.64 117.46 2wft s THR 305 Ca 0.09 -1.87 -0.06 0.00 -1.21 0.00 0.00 61.69 58.64 2wft s THR 305 Cb -0.12 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 2wft s THR 305 CO 0.02 -0.09 0.03 0.20 -2.21 0.00 0.00 174.62 172.57 2wft s ASN 306 N -3.11 5.40 -0.11 8.08 0.01 -1.26 -1.44 114.94 122.52 2wft s ASN 306 Ca 0.33 0.06 -0.07 0.00 -0.71 0.00 0.00 52.86 52.47 2wft s ASN 306 Cb 0.06 -1.86 0.03 0.00 0.41 0.00 0.00 41.25 39.89 2wft s ASN 306 CO 0.09 0.21 0.14 1.41 -1.51 0.00 0.00 177.10 177.45 2wft n HIS 315 N 3.26 -2.53 0.01 2.20 -0.00 -1.26 -4.96 115.22 111.95 2wft n HIS 315 Ca -0.17 1.46 -0.11 0.00 -0.00 0.00 0.00 57.72 58.90 2wft n HIS 315 Cb 0.53 -2.64 -0.09 0.00 -0.00 0.00 0.00 29.99 27.79 2wft n HIS 315 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2wft h ASP 316 N 4.53 -0.11 -5.05 0.41 1.82 -1.46 -3.50 116.42 113.07 2wft h ASP 316 Ca -0.32 -0.48 0.01 0.00 -0.39 0.00 0.00 57.03 55.85 2wft h ASP 316 Cb 0.73 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 2wft h ASP 316 CO 0.01 0.52 0.31 -1.38 -1.61 0.00 0.00 179.24 177.09 2wft s HIS 317 N -3.18 0.10 -0.01 0.28 -3.43 -0.99 -5.03 115.29 103.04 2wft s HIS 317 Ca -0.14 -0.74 0.08 0.00 -0.80 0.00 0.00 55.06 53.46 2wft s HIS 317 Cb -0.00 0.82 -0.02 0.00 -1.43 0.00 0.00 32.58 31.95 2wft s HIS 317 CO 0.52 -1.48 -0.26 0.42 -2.00 0.00 0.00 174.74 171.94 2wft s ILE 318 N -2.34 2.11 -0.56 -5.38 1.09 -0.52 -0.88 121.20 114.71 2wft s ILE 318 Ca 0.16 -1.12 -0.11 0.00 -1.10 0.00 0.00 60.65 58.47 2wft s ILE 318 Cb -0.05 -1.74 0.14 0.00 -1.06 0.00 0.00 42.46 39.76 2wft s ILE 318 CO 0.10 0.56 0.47 -0.22 -0.10 0.00 0.00 174.94 175.75 2wft s LEU 319 N -0.69 5.98 0.54 2.97 0.20 0.12 -0.21 118.68 127.60 2wft s LEU 319 Ca 0.10 -2.09 -0.12 0.00 0.69 0.00 0.00 54.13 52.71 2wft s LEU 319 Cb -0.10 -2.09 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 2wft s LEU 319 CO -0.01 -0.69 0.95 -0.13 -0.29 0.00 0.00 176.35 176.18 2wft s ARG 320 N 1.10 3.71 -0.18 1.98 0.52 0.23 -2.09 118.95 124.23 2wft s ARG 320 Ca 0.08 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.97 2wft s ARG 320 Cb -0.24 -2.18 0.05 0.00 0.52 0.00 0.00 34.95 33.10 2wft s ARG 320 CO -0.01 -0.37 -0.01 0.08 0.02 0.00 0.00 175.30 175.01 2wft s VAL 321 N -2.86 0.87 0.07 3.52 1.01 -0.77 -2.65 120.40 119.58 2wft s VAL 321 Ca 0.54 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2wft s VAL 321 Cb -0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wft s VAL 321 CO 0.44 -0.02 -0.25 -0.69 0.00 0.00 0.00 175.10 174.58 2wft s VAL 322 N 1.72 2.02 -0.02 2.92 1.01 -0.08 -0.48 120.40 127.48 2wft s VAL 322 Ca -0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 2wft s VAL 322 Cb -0.16 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2wft s VAL 322 CO -0.07 0.24 0.39 -0.70 0.00 0.00 0.00 175.10 174.95 2wft s GLU 323 N -1.45 3.92 0.25 2.72 2.12 -0.67 -0.99 118.70 124.61 2wft s GLU 323 Ca 0.11 0.36 0.06 0.00 0.36 0.00 0.00 54.97 55.86 2wft s GLU 323 Cb -0.10 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2wft s GLU 323 CO 0.03 0.65 -0.07 0.71 -0.54 0.00 0.00 175.26 176.04 2wft s TYR 324 N -0.91 1.80 -0.05 5.30 2.02 0.14 -1.77 117.35 123.88 2wft s TYR 324 Ca 0.23 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2wft s TYR 324 Cb -0.16 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 2wft s TYR 324 CO 0.12 0.23 -0.15 0.99 -1.57 0.00 0.00 175.55 175.17 2wft s THR 325 N -3.09 1.29 0.79 -0.71 2.01 -1.26 -1.45 115.64 113.22 2wft s THR 325 Ca 0.27 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2wft s THR 325 Cb 0.03 -1.13 0.08 0.00 0.01 0.00 0.00 72.50 71.48 2wft s THR 325 CO 0.10 0.38 1.15 0.54 -0.69 0.00 0.00 174.62 176.10 2wft s VAL 326 N 0.28 2.54 0.48 3.82 0.11 0.35 -1.69 120.40 126.30 2wft s VAL 326 Ca -0.08 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 2wft s VAL 326 Cb -0.13 -2.57 -0.07 0.00 -1.53 0.00 0.00 36.38 32.08 2wft s VAL 326 CO 0.03 -0.19 1.27 -0.55 -3.33 0.00 0.00 175.10 172.33 2wft s SER 327 N -2.60 5.84 0.37 3.54 0.15 0.01 -4.34 113.70 116.67 2wft s SER 327 Ca 0.68 2.57 0.18 0.00 0.70 0.00 0.00 55.95 60.08 2wft s SER 327 Cb -0.23 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.14 2wft s SER 327 CO 0.51 -1.16 1.74 -0.09 1.20 0.00 0.00 173.24 175.44 2wft h ARG 328 N 1.95 0.00 0.00 5.44 2.43 -1.90 -3.24 114.38 119.06 2wft h ARG 328 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2wft h ARG 328 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2wft h ARG 328 CO 0.60 0.38 -1.25 1.63 -1.51 0.00 0.00 179.97 179.82 2wft n LYS 329 N -3.59 0.23 -3.23 0.20 5.02 -1.26 -4.23 118.16 111.30 2wft n LYS 329 Ca -0.00 -0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.21 2wft n LYS 329 Cb 0.50 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.58 -0.61 0.26 4.39 2.47 -1.22 -5.03 114.94 111.62 2wft s ASN 330 Ca 0.03 0.18 0.14 0.00 0.42 0.00 0.00 52.86 53.63 2wft s ASN 330 Cb 0.15 1.61 0.76 0.00 -1.45 0.00 0.00 41.25 42.32 2wft s ASN 330 CO 0.86 -0.31 1.37 -2.65 -3.72 0.00 0.00 177.10 172.65 2wft n PRO 331 N 5.39 0.09 -0.14 0.43 -0.02 -1.26 -1.73 135.00 137.76 2wft n PRO 331 Ca 0.01 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 2wft n PRO 331 Cb 0.51 -1.95 0.13 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.01 0.37 -3.77 6.00 8.25 -1.26 -4.90 115.22 117.89 2wft n HIS 332 Ca -0.01 -0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 56.91 2wft n HIS 332 Cb 0.17 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.98 0.18 0.24 -0.41 0.74 -0.71 -4.05 119.66 114.67 2wft s GLN 333 Ca 0.20 0.35 -0.16 0.00 0.05 0.00 0.00 55.36 55.81 2wft s GLN 333 Cb 0.11 -0.02 -0.08 0.00 1.10 0.00 0.00 33.01 34.12 2wft s GLN 333 CO 0.15 -0.09 0.67 0.14 -0.55 0.00 0.00 175.29 175.60 2wft s VAL 334 N 0.65 4.71 -0.65 1.34 -7.23 0.54 -0.81 120.40 118.95 2wft s VAL 334 Ca -0.05 0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 60.83 2wft s VAL 334 Cb -0.06 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2wft s VAL 334 CO -0.03 0.05 1.35 -0.62 -0.31 0.00 0.00 175.10 175.54 2wft s ASP 335 N -1.96 6.13 0.65 4.85 3.68 -0.68 -4.58 116.67 124.76 2wft s ASP 335 Ca 0.46 -0.07 0.40 0.00 2.13 0.00 0.00 52.55 55.47 2wft s ASP 335 Cb -0.14 -2.55 2.24 0.00 -1.45 0.00 0.00 42.92 41.03 2wft s ASP 335 CO 0.19 -1.78 2.32 -0.07 0.13 0.00 0.00 175.17 175.96 2wft h LEU 336 N 13.15 0.00 -1.12 -1.34 3.38 -1.95 -1.64 115.31 125.78 2wft h LEU 336 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2wft h LEU 336 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2wft h LEU 336 CO 1.23 0.00 -0.40 0.03 0.09 0.00 0.00 178.44 179.39 2wft h ARG 337 N 0.00 0.00 0.00 1.13 3.08 -1.94 -3.25 114.38 113.40 2wft h ARG 337 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wft h ARG 337 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2wft h ARG 337 CO -0.00 0.40 0.00 0.25 -1.07 0.00 0.00 179.97 179.55 2wft n THR 338 N -3.80 0.00 -1.31 2.04 -2.24 -0.62 -4.91 114.28 103.45 2wft n THR 338 Ca -0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2wft n THR 338 Cb 0.47 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.81 -2.25 -2.96 6.98 0.00 -1.23 -4.46 120.51 115.78 2wft n ALA 339 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2wft n ALA 339 Cb 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.86 0.70 0.31 0.00 3.52 -0.73 -4.97 118.95 115.93 2wft s ARG 340 Ca 0.62 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.51 2wft s ARG 340 Cb -0.42 0.04 -0.10 0.00 -1.56 0.00 0.00 34.95 32.90 2wft s ARG 340 CO 0.62 -0.95 1.37 0.08 -0.81 0.00 0.00 175.30 175.60 2wft s VAL 341 N 1.54 2.63 -0.15 7.11 1.01 -1.26 -1.66 120.40 129.62 2wft s VAL 341 Ca 0.20 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 2wft s VAL 341 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 2wft s VAL 341 CO -0.08 0.13 -0.17 0.49 0.00 0.00 0.00 175.10 175.46 2wft n PHE 342 N 1.24 0.00 -4.08 5.22 0.99 0.36 -4.90 117.46 116.30 2wft n PHE 342 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.35 2wft n PHE 342 Cb 0.41 -0.55 -0.11 0.00 -1.00 0.00 0.00 39.48 38.23 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 -6.48 2.33 -0.17 4.37 1.43 -1.15 -4.98 118.68 114.03 2wft s LEU 343 Ca -0.21 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 2wft s LEU 343 Cb 0.07 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.25 2wft s LEU 343 CO 0.29 -0.30 0.07 -1.61 0.23 0.00 0.00 176.35 175.04 2wft s GLU 344 N -2.22 0.19 -0.16 1.70 2.02 -1.26 -1.85 118.70 117.12 2wft s GLU 344 Ca -0.05 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 2wft s GLU 344 Cb -0.05 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2wft s GLU 344 CO -0.02 -0.64 0.09 0.08 0.02 0.00 0.00 175.26 174.80 2wft s VAL 345 N 2.08 5.07 0.26 2.63 1.01 -0.89 -4.90 120.40 125.66 2wft s VAL 345 Ca 0.02 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 2wft s VAL 345 Cb -0.16 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2wft s VAL 345 CO -0.08 0.50 0.74 0.00 0.00 0.00 0.00 175.10 176.26 2wft s ALA 346 N -0.06 3.37 -0.02 5.51 0.00 -1.26 0.15 121.76 129.44 2wft s ALA 346 Ca 0.08 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.21 2wft s ALA 346 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2wft s ALA 346 CO 0.01 0.32 -0.06 -1.21 0.00 0.00 0.00 175.76 174.81 2wft s GLU 347 N -2.29 0.65 -0.19 0.00 0.41 -0.06 -4.84 118.70 112.37 2wft s GLU 347 Ca 0.47 -0.20 0.14 0.00 -0.41 0.00 0.00 54.97 54.97 2wft s GLU 347 Cb -0.15 -0.64 -0.23 0.00 -1.78 0.00 0.00 34.13 31.33 2wft s GLU 347 CO 0.20 0.07 0.09 1.28 -0.49 0.00 0.00 175.26 176.41 2wft n LEU 348 N 3.29 0.66 0.00 1.80 4.77 -1.26 -1.48 117.00 124.79 2wft n LEU 348 Ca -0.17 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 2wft n LEU 348 Cb 0.55 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2wft n LEU 348 CO 0.25 0.57 -0.18 1.41 -1.33 0.00 0.00 177.39 178.11 2wft n HIS 349 N -2.89 0.82 -1.59 -1.77 8.25 -1.26 -4.36 115.22 112.44 2wft n HIS 349 Ca -0.33 -2.39 -0.01 0.00 -0.26 0.00 0.00 57.72 54.72 2wft n HIS 349 Cb 1.12 -0.34 0.19 0.00 1.12 0.00 0.00 29.99 32.07 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 -1.32 1.88 -4.16 -0.41 1.74 -1.26 -4.91 116.66 108.22 2wft n ARG 350 Ca -0.17 -3.35 -0.11 0.00 -0.77 0.00 0.00 57.85 53.45 2wft n ARG 350 Cb 0.62 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 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 -3.29 1.10 -1.54 5.56 1.02 -1.26 -1.51 119.74 119.82 2wft s LYS 351 Ca 0.42 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 2wft s LYS 351 Cb 0.39 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.98 2wft s LYS 351 CO -0.04 -0.35 0.21 0.72 -0.92 0.00 0.00 175.35 174.98 2wft n HIS 352 N -0.20 -1.42 0.07 3.18 8.25 -1.26 -4.07 115.22 119.76 2wft n HIS 352 Ca -0.02 0.18 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 2wft n HIS 352 Cb 0.65 -3.80 -0.07 0.00 1.12 0.00 0.00 29.99 27.89 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 -0.47 -0.21 0.00 2.41 3.38 -1.88 -0.97 115.31 117.58 2wft h LEU 353 Ca -0.46 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2wft h LEU 353 Cb 1.33 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2wft h LEU 353 CO 0.53 0.33 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2wft n GLY 354 N 0.56 0.36 0.00 0.83 0.00 -1.26 0.05 105.19 105.72 2wft n GLY 354 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.16 3.66 -0.02 0.00 0.42 -4.91 105.19 105.50 2wft n GLY 355 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.59 1.26 -4.15 1.61 7.27 -1.22 -4.47 117.38 117.08 2wft n GLN 356 Ca 0.00 0.46 -0.31 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 2.25 3.62 -0.05 1.69 1.43 -1.26 -1.58 118.68 124.77 2wft s LEU 357 Ca 0.92 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.68 2wft s LEU 357 Cb -0.98 -2.23 0.10 0.00 0.03 0.00 0.00 46.19 43.12 2wft s LEU 357 CO 0.56 0.22 0.87 -1.48 0.23 0.00 0.00 176.35 176.75 2wft s LEU 358 N -2.04 -0.42 -0.16 1.79 2.34 -0.77 -4.76 118.68 114.66 2wft s LEU 358 Ca 0.24 0.23 -0.04 0.00 0.06 0.00 0.00 54.13 54.62 2wft s LEU 358 Cb -0.12 2.09 -0.03 0.00 -0.56 0.00 0.00 46.19 47.57 2wft s LEU 358 CO 0.16 -0.56 -0.02 -0.36 -1.06 0.00 0.00 176.35 174.52 2wft s PHE 359 N -2.25 3.08 0.83 3.48 0.08 -1.26 -0.68 117.98 121.25 2wft s PHE 359 Ca 0.00 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 2wft s PHE 359 Cb -0.01 -1.97 0.10 0.00 -0.57 0.00 0.00 43.02 40.57 2wft s PHE 359 CO -0.03 0.03 1.19 0.20 -0.10 0.00 0.00 175.22 176.51 2wft s GLY 360 N 0.29 1.63 0.26 4.36 0.00 -0.90 -4.92 107.32 108.04 2wft s GLY 360 Ca -0.02 -0.78 0.24 0.00 0.00 0.00 0.00 44.72 44.16 2wft s GLY 360 CO 0.02 -0.25 1.72 -1.05 0.00 0.00 0.00 173.10 173.54 2wft n PRO 361 N -3.35 0.20 0.28 2.90 -0.02 -1.26 -1.06 135.00 132.68 2wft n PRO 361 Ca 0.09 0.42 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2wft n PRO 361 Cb 0.61 -1.88 0.75 0.00 -0.02 0.00 0.00 33.50 32.96 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 -1.93 -3.46 116.42 116.62 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 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 2wft h ASP 362 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 2wft n GLY 363 N -0.27 0.81 3.98 7.15 0.00 -0.22 -5.06 105.19 111.57 2wft n GLY 363 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 3.13 -0.35 1.61 0.40 -1.26 -4.76 117.98 114.68 2wft s PHE 364 Ca 0.00 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.17 2wft s PHE 364 Cb 0.00 -2.13 0.04 0.00 0.51 0.00 0.00 43.02 41.43 2wft s PHE 364 CO 0.00 -0.17 0.14 -1.17 0.70 0.00 0.00 175.22 174.72 2wft s LEU 365 N -4.32 4.44 0.08 -0.37 2.96 -0.14 -2.13 118.68 119.21 2wft s LEU 365 Ca 0.47 -1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.14 2wft s LEU 365 Cb -0.10 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 2wft s LEU 365 CO 0.33 -0.34 0.50 -0.31 -1.32 0.00 0.00 176.35 175.21 2wft s TYR 366 N 1.45 3.68 -0.21 5.38 2.02 0.14 -0.69 117.35 129.12 2wft s TYR 366 Ca -0.00 1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 57.72 2wft s TYR 366 Cb -0.19 -2.35 0.07 0.00 -0.40 0.00 0.00 41.96 39.09 2wft s TYR 366 CO 0.04 0.54 0.05 0.42 -1.57 0.00 0.00 175.55 175.02 2wft s ILE 367 N -1.27 0.53 -0.37 2.71 1.01 -0.89 -1.84 121.20 121.08 2wft s ILE 367 Ca 0.31 -0.67 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 2wft s ILE 367 Cb -0.16 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.21 2wft s ILE 367 CO 0.17 -0.29 0.74 -0.63 0.00 0.00 0.00 174.94 174.93 2wft s ILE 368 N 1.84 4.76 -0.07 2.92 1.09 -0.62 -1.69 121.20 129.44 2wft s ILE 368 Ca 0.01 0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 60.28 2wft s ILE 368 Cb -0.17 -4.19 -0.03 0.00 -1.06 0.00 0.00 42.46 37.01 2wft s ILE 368 CO -0.11 -0.45 -0.00 -0.76 -0.10 0.00 0.00 174.94 173.52 2wft s LEU 369 N 3.02 3.54 0.68 2.97 2.01 -0.15 -0.44 118.68 130.31 2wft s LEU 369 Ca 0.29 0.11 -0.05 0.00 0.01 0.00 0.00 54.13 54.49 2wft s LEU 369 Cb -0.13 -1.84 0.07 0.00 0.01 0.00 0.00 46.19 44.29 2wft s LEU 369 CO 0.17 0.36 0.97 -0.83 1.01 0.00 0.00 176.35 178.03 2wft s GLY 370 N -0.99 1.73 0.00 -3.19 0.00 0.11 -2.64 107.32 102.34 2wft s GLY 370 Ca 0.14 -1.09 0.19 0.00 0.00 0.00 0.00 44.72 43.97 2wft s GLY 370 CO 0.04 -0.68 1.62 2.09 0.00 0.00 0.00 173.10 176.16 2wft n ASP 371 N -2.82 0.00 -0.63 1.64 3.85 -0.23 -1.12 116.55 117.25 2wft n ASP 371 Ca 0.09 0.37 -0.08 0.00 -0.71 0.00 0.00 54.79 54.46 2wft n ASP 371 Cb 0.60 -0.44 -0.04 0.00 -1.35 0.00 0.00 41.12 39.89 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 0.47 0.95 3.81 6.12 0.00 -0.39 -1.43 105.19 114.73 2wft n GLY 372 Ca 0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.94 -0.79 -3.14 1.61 0.00 -1.26 -4.04 117.12 107.56 2wft n MET 373 Ca -0.08 -0.01 -0.39 0.00 0.00 0.00 0.00 57.70 57.21 2wft n MET 373 Cb 0.37 -2.02 -0.05 0.00 0.00 0.00 0.00 33.22 31.52 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 -3.96 5.07 0.71 3.17 -1.09 -0.51 -4.90 121.20 119.70 2wft s ILE 374 Ca 0.12 1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 59.69 2wft s ILE 374 Cb -0.07 -3.95 0.06 0.00 -1.58 0.00 0.00 42.46 36.93 2wft s ILE 374 CO 0.67 0.22 1.03 0.42 -1.23 0.00 0.00 174.94 176.04 2wft s THR 375 N 1.15 2.25 0.14 2.92 -4.23 -1.26 -4.97 115.64 111.64 2wft s THR 375 Ca 0.31 -0.25 0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2wft s THR 375 Cb -0.16 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.83 2wft s THR 375 CO 0.13 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.88 2wft h LEU 376 N -0.64 0.00 0.25 4.79 4.07 -1.99 -2.25 115.31 119.54 2wft h LEU 376 Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 2wft h LEU 376 Cb 1.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.05 2wft h LEU 376 CO 0.61 0.35 -0.18 0.44 -1.08 0.00 0.00 178.44 178.58 2wft h ASP 377 N 0.00 -0.46 -1.44 -0.43 3.32 -2.00 -2.89 116.42 112.51 2wft h ASP 377 Ca -0.00 0.03 0.42 0.00 0.02 0.00 0.00 57.03 57.50 2wft h ASP 377 Cb 0.89 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 2wft h ASP 377 CO 0.05 -0.26 1.02 0.44 -1.72 0.00 0.00 179.24 178.77 2wft h ASP 378 N -0.40 0.05 0.41 6.45 3.32 -1.90 -1.91 116.42 122.44 2wft h ASP 378 Ca -0.03 0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 2wft h ASP 378 Cb 0.33 0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.92 2wft h ASP 378 CO 0.02 -0.01 -1.42 0.24 -1.72 0.00 0.00 179.24 176.35 2wft h MET 379 N 0.03 0.42 0.00 3.56 2.86 -1.36 -3.29 114.93 117.15 2wft h MET 379 Ca 0.71 -0.71 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2wft h MET 379 Cb 2.73 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 34.64 2wft h MET 379 CO -0.07 1.33 -0.64 0.93 1.06 0.00 0.00 176.91 179.53 2wft h GLU 380 N 0.11 0.00 -0.50 1.72 5.08 -1.13 -3.31 114.58 116.56 2wft h GLU 380 Ca -0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2wft h GLU 380 Cb 2.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.29 2wft h GLU 380 CO 0.24 0.45 0.08 -0.85 -1.00 0.00 0.00 179.01 177.92 2wft n GLU 381 N -3.16 3.56 -3.47 2.33 0.28 -1.11 -4.80 120.64 114.27 2wft n GLU 381 Ca 0.00 -3.04 -0.15 0.00 -0.16 0.00 0.00 57.16 53.81 2wft n GLU 381 Cb 0.74 -2.07 -0.12 0.00 1.43 0.00 0.00 31.44 31.43 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 -2.91 0.23 0.61 3.44 -1.94 -1.24 -5.05 119.30 112.43 2wft s MET 382 Ca 0.50 0.34 -0.14 0.00 -1.71 0.00 0.00 55.69 54.68 2wft s MET 382 Cb 0.40 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 2wft s MET 382 CO 0.11 -0.62 1.04 -0.51 -0.01 0.00 0.00 175.02 175.03 2wft s ASP 383 N 2.39 5.95 0.00 3.03 1.01 -1.26 -3.94 116.67 123.85 2wft s ASP 383 Ca 0.08 1.63 0.00 0.00 0.71 0.00 0.00 52.55 54.96 2wft s ASP 383 Cb -0.15 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2wft s ASP 383 CO -0.13 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 174.81 2wft n GLY 384 N -1.75 0.51 0.00 0.21 0.00 -1.26 -5.06 105.19 97.84 2wft n GLY 384 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.01 0.99 4.77 -1.25 -4.74 117.00 116.78 2wft n LEU 385 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2wft n LEU 385 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 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 1.05 0.00 -1.43 2.88 -1.26 -4.87 113.62 109.99 2wft n SER 386 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2wft n SER 386 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.57 0.00 0.02 -3.46 8.00 -1.26 -4.84 116.55 111.44 2wft n ASP 387 Ca -0.05 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 2wft n ASP 387 Cb 0.22 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.52 -3.42 1.24 0.04 -1.99 -3.47 116.94 109.86 2wft h PHE 388 Ca 0.00 -0.38 -0.57 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 1.63 0.13 0.25 -0.60 0.00 0.00 178.31 179.72 2wft n THR 389 N -3.77 3.22 -0.97 -1.55 -2.24 -1.26 -2.14 114.28 105.57 2wft n THR 389 Ca -0.26 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2wft n THR 389 Cb 0.97 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.26 0.89 3.48 3.38 0.00 -0.27 -4.82 105.19 109.10 2wft n GLY 390 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.79 3.54 -0.49 1.61 0.01 -0.91 -0.55 113.70 114.12 2wft s SER 391 Ca 0.00 -1.07 -0.18 0.00 1.31 0.00 0.00 55.95 56.01 2wft s SER 391 Cb 0.00 -0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.00 2wft s SER 391 CO 0.00 -0.03 0.54 -0.69 0.41 0.00 0.00 173.24 173.47 2wft s VAL 392 N -2.57 5.00 0.63 3.43 1.01 0.45 -0.98 120.40 127.37 2wft s VAL 392 Ca 0.30 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 2wft s VAL 392 Cb -0.03 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2wft s VAL 392 CO 0.15 -0.72 0.99 -0.76 0.00 0.00 0.00 175.10 174.76 2wft s LEU 393 N 2.29 3.14 -0.24 3.92 1.43 -0.68 -1.20 118.68 127.34 2wft s LEU 393 Ca 0.11 1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2wft s LEU 393 Cb -0.21 -3.91 0.13 0.00 0.03 0.00 0.00 46.19 42.23 2wft s LEU 393 CO 0.10 -1.09 0.39 -0.60 0.23 0.00 0.00 176.35 175.39 2wft s ARG 394 N -5.15 0.35 0.28 1.70 3.52 -0.36 -2.09 118.95 117.20 2wft s ARG 394 Ca 0.55 0.65 0.09 0.00 -0.13 0.00 0.00 55.73 56.89 2wft s ARG 394 Cb -0.11 -0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 2wft s ARG 394 CO 0.49 -0.56 0.02 -0.51 -0.81 0.00 0.00 175.30 173.93 2wft s LEU 395 N 2.57 3.21 -0.40 -0.88 1.43 0.13 -4.58 118.68 120.16 2wft s LEU 395 Ca 0.10 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2wft s LEU 395 Cb -0.15 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2wft s LEU 395 CO -0.15 -0.06 0.21 -0.62 0.23 0.00 0.00 176.35 175.96 2wft s ASP 396 N -3.71 5.54 0.17 2.29 3.68 -1.17 -0.96 116.67 122.52 2wft s ASP 396 Ca 0.33 -1.42 0.26 0.00 2.13 0.00 0.00 52.55 53.84 2wft s ASP 396 Cb -0.05 -1.95 0.68 0.00 -1.45 0.00 0.00 42.92 40.14 2wft s ASP 396 CO 0.20 -0.48 1.64 0.52 0.13 0.00 0.00 175.17 177.18 2wft n VAL 397 N 4.88 0.49 -1.91 1.11 0.31 -1.26 -1.07 118.33 120.87 2wft n VAL 397 Ca -0.10 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 2wft n VAL 397 Cb 0.43 -0.43 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.18 4.89 -4.91 4.52 8.00 -1.26 -4.48 116.55 121.12 2wft n ASP 398 Ca 0.05 -2.93 -0.29 0.00 0.71 0.00 0.00 54.79 52.33 2wft n ASP 398 Cb 0.43 -1.57 -0.04 0.00 -0.02 0.00 0.00 41.12 39.91 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 1.94 5.27 -0.75 -3.53 -1.32 -1.26 -4.94 115.64 111.05 2wft s THR 399 Ca 0.47 -0.54 0.15 0.00 -1.21 0.00 0.00 61.69 60.56 2wft s THR 399 Cb 0.13 -3.62 -0.17 0.00 -1.51 0.00 0.00 72.50 67.33 2wft s THR 399 CO -0.06 0.05 0.67 0.47 -2.21 0.00 0.00 174.62 173.54 2wft n ASP 400 N -0.00 0.75 -4.74 8.08 8.00 -1.26 -4.56 116.55 122.81 2wft n ASP 400 Ca -0.06 -0.87 -0.35 0.00 0.71 0.00 0.00 54.79 54.22 2wft n ASP 400 Cb 0.52 0.99 0.06 0.00 -0.02 0.00 0.00 41.12 42.68 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 -2.47 2.60 0.00 -1.24 -1.94 -1.26 -5.01 119.30 109.98 2wft s MET 401 Ca 0.06 1.74 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 2wft s MET 401 Cb 0.12 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 35.07 2wft s MET 401 CO 0.64 -1.48 0.66 0.00 -0.01 0.00 0.00 175.02 174.83 2wft n ASN 403 N -0.21 2.50 -4.09 0.00 6.94 -1.26 -4.95 115.26 114.19 2wft n ASN 403 Ca 0.00 -0.05 -0.21 0.00 -0.02 0.00 0.00 54.58 54.30 2wft n ASN 403 Cb 0.18 1.44 -0.15 0.00 -2.36 0.00 0.00 39.78 38.89 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 -2.66 0.98 0.45 3.53 0.11 -1.26 -5.06 120.40 116.49 2wft s VAL 404 Ca -0.03 -0.61 0.19 0.00 -2.93 0.00 0.00 61.98 58.60 2wft s VAL 404 Cb 0.07 -0.84 0.23 0.00 -1.53 0.00 0.00 36.38 34.31 2wft s VAL 404 CO 0.43 0.22 2.04 -0.65 -3.33 0.00 0.00 175.10 173.80 2wft h PRO 405 N 5.66 0.00 -3.40 1.54 0.11 -1.92 -3.44 132.00 130.55 2wft h PRO 405 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 2wft h PRO 405 Cb 1.17 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.01 2wft h PRO 405 CO 0.48 0.15 -0.56 1.52 -0.21 0.00 0.00 178.00 179.38 2wft s TYR 406 N -4.53 -0.15 0.68 0.65 -0.85 -1.26 -4.92 117.35 106.97 2wft s TYR 406 Ca -0.04 0.37 -0.12 0.00 -0.52 0.00 0.00 57.07 56.77 2wft s TYR 406 Cb 0.15 0.05 0.16 0.00 0.38 0.00 0.00 41.96 42.71 2wft s TYR 406 CO 0.65 -0.07 0.72 0.45 -1.52 0.00 0.00 175.55 175.78 2wft n SER 407 N 3.01 -0.95 -3.92 -0.18 2.88 -0.23 -4.92 113.62 109.31 2wft n SER 407 Ca -0.12 -1.06 -0.19 0.00 -1.33 0.00 0.00 58.87 56.17 2wft n SER 407 Cb 0.59 -0.61 -0.16 0.00 -0.75 0.00 0.00 64.21 63.28 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 -2.43 0.50 0.61 2.46 1.01 -1.26 -3.02 121.20 119.06 2wft s ILE 408 Ca 0.44 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 2wft s ILE 408 Cb -0.03 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2wft s ILE 408 CO 0.33 0.19 1.22 -2.84 0.00 0.00 0.00 174.94 173.84 2wft s PRO 409 N 0.57 2.84 0.26 2.79 0.02 -1.26 -4.87 135.00 135.35 2wft s PRO 409 Ca -0.07 1.85 0.04 0.00 0.02 0.00 0.00 61.00 62.84 2wft s PRO 409 Cb -0.11 -1.91 0.34 0.00 0.02 0.00 0.00 34.50 32.85 2wft s PRO 409 CO -0.00 -1.31 1.63 0.00 -0.33 0.00 0.00 177.00 176.99 2wft h ARG 410 N 0.72 0.30 0.00 5.54 3.08 -2.00 -3.04 114.38 118.98 2wft h ARG 410 Ca -0.50 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2wft h ARG 410 Cb 1.30 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wft h ARG 410 CO 0.54 0.71 0.00 0.43 -1.07 0.00 0.00 179.97 180.59 2wft n SER 411 N -3.98 0.00 -4.76 7.04 7.64 -1.26 -4.75 113.62 113.55 2wft n SER 411 Ca -0.02 0.34 -0.37 0.00 1.01 0.00 0.00 58.87 59.84 2wft n SER 411 Cb 0.53 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.82 5.44 -0.05 6.43 -0.87 -1.15 -4.86 114.94 117.06 2wft s ASN 412 Ca 0.08 2.45 0.03 0.00 -1.57 0.00 0.00 52.86 53.85 2wft s ASN 412 Cb 0.07 -2.61 0.16 0.00 -0.02 0.00 0.00 41.25 38.86 2wft s ASN 412 CO 0.19 -1.43 0.76 -0.81 -2.57 0.00 0.00 177.10 173.25 2wft n PRO 413 N -1.20 1.75 -1.54 -0.60 -0.05 -1.26 -2.95 135.00 129.15 2wft n PRO 413 Ca 0.11 -0.62 -0.04 0.00 -0.05 0.00 0.00 63.50 62.91 2wft n PRO 413 Cb 0.48 -1.64 0.01 0.00 -0.05 0.00 0.00 33.50 32.31 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 0.13 -0.69 -1.72 0.54 8.25 -1.26 -5.05 115.22 115.41 2wft n HIS 414 Ca 0.06 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 56.31 2wft n HIS 414 Cb 0.45 0.82 -0.03 0.00 1.12 0.00 0.00 29.99 32.36 2wft n HIS 414 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wft s PHE 415 N 0.04 1.38 0.00 4.41 2.19 -1.15 -2.92 117.98 121.93 2wft s PHE 415 Ca 0.03 -0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.19 2wft s PHE 415 Cb 0.15 -4.12 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 2wft s PHE 415 CO -0.04 -4.88 0.00 -1.71 1.83 0.00 0.00 175.22 170.41 2wft n ASN 416 N 8.52 0.00 -4.67 6.13 5.15 -1.26 -4.96 115.26 124.16 2wft n ASN 416 Ca 0.22 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.78 2wft n ASN 416 Cb 0.42 -0.05 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 2wft n ASN 416 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2wft s SER 417 N -0.76 6.48 -0.47 1.20 0.15 -1.15 -4.90 113.70 114.26 2wft s SER 417 Ca 0.00 2.63 0.03 0.00 0.70 0.00 0.00 55.95 59.31 2wft s SER 417 Cb 0.00 -2.54 0.61 0.00 -1.71 0.00 0.00 66.02 62.38 2wft s SER 417 CO 0.00 -1.02 1.88 0.35 1.20 0.00 0.00 173.24 175.65 2wft n THR 418 N 5.37 3.21 -0.01 6.45 -2.24 -1.26 -4.44 114.28 121.36 2wft n THR 418 Ca 0.19 -2.22 -0.02 0.00 -2.27 0.00 0.00 64.05 59.73 2wft n THR 418 Cb 0.41 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2wft n THR 418 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2wft n ASN 419 N -1.10 0.66 -4.86 3.42 2.85 -1.26 -5.03 115.26 109.95 2wft n ASN 419 Ca 0.58 0.10 -0.32 0.00 -0.11 0.00 0.00 54.58 54.82 2wft n ASN 419 Cb 1.42 -0.37 -0.06 0.00 1.24 0.00 0.00 39.78 42.01 2wft n ASN 419 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2wft s GLN 420 N -1.63 3.92 0.23 1.20 1.11 -1.26 -5.03 119.66 118.19 2wft s GLN 420 Ca -0.06 0.49 -0.30 0.00 0.01 0.00 0.00 55.36 55.51 2wft s GLN 420 Cb 0.01 -2.55 -0.09 0.00 -1.01 0.00 0.00 33.01 29.37 2wft s GLN 420 CO 0.09 0.24 1.13 -2.14 0.01 0.00 0.00 175.29 174.63 2wft s PRO 421 N -2.85 4.58 0.41 2.91 0.02 -1.26 -4.83 135.00 133.98 2wft s PRO 421 Ca 0.50 1.82 0.18 0.00 0.02 0.00 0.00 61.00 63.52 2wft s PRO 421 Cb -0.11 -3.22 0.87 0.00 0.02 0.00 0.00 34.50 32.06 2wft s PRO 421 CO 0.19 0.08 1.85 -1.00 -0.33 0.00 0.00 177.00 177.79 2wft h PRO 422 N 4.53 0.00 -0.56 5.54 0.14 -1.80 -2.82 132.00 137.03 2wft h PRO 422 Ca -0.46 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.65 2wft h PRO 422 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.33 2wft h PRO 422 CO 0.70 0.32 0.23 0.93 0.14 0.00 0.00 178.00 180.32 2wft h GLU 423 N 0.00 0.83 -6.71 0.86 3.07 -1.89 -3.43 114.58 107.32 2wft h GLU 423 Ca -0.00 -0.15 -0.57 0.00 -0.50 0.00 0.00 59.36 58.14 2wft h GLU 423 Cb 0.67 -0.14 0.10 0.00 -0.84 0.00 0.00 28.75 28.55 2wft h GLU 423 CO 0.04 0.71 0.52 0.28 -1.40 0.00 0.00 179.01 179.17 2wft n VAL 424 N -4.51 1.77 -0.01 3.13 0.31 -1.07 -1.23 118.33 116.73 2wft n VAL 424 Ca 0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2wft n VAL 424 Cb 0.16 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 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 0.69 0.00 0.00 3.52 7.35 -0.34 -4.41 117.46 124.27 2wft n PHE 425 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2wft n PHE 425 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 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 -0.44 0.00 -3.43 3.13 0.00 -1.16 -4.79 120.51 113.82 2wft n ALA 426 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wft n ALA 426 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.45 0.00 0.00 -3.43 -1.26 -0.41 115.29 108.64 2wft s HIS 427 Ca 0.00 -0.92 0.00 0.00 -0.80 0.00 0.00 55.06 53.34 2wft s HIS 427 Cb 0.00 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2wft s HIS 427 CO 0.00 -1.34 0.00 0.41 -2.00 0.00 0.00 174.74 171.81 2wft n GLY 428 N -0.52 0.95 3.78 -1.38 0.00 -0.30 -4.65 105.19 103.07 2wft n GLY 428 Ca -0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 4.12 0.00 0.99 1.43 0.29 -5.01 118.68 120.50 2wft s LEU 429 Ca 0.00 2.06 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 2wft s LEU 429 Cb 0.00 -4.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 2wft s LEU 429 CO 0.00 -0.53 -0.02 1.41 0.23 0.00 0.00 176.35 177.44 2wft n HIS 430 N -0.13 0.00 -3.49 0.29 8.25 -1.26 -3.62 115.22 115.26 2wft n HIS 430 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 2wft n HIS 430 Cb 0.50 -0.02 -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 -2.68 1.07 -4.79 0.41 4.64 -1.26 -1.07 116.55 112.86 2wft n ASP 431 Ca -0.01 -2.78 -0.35 0.00 -1.38 0.00 0.00 54.79 50.27 2wft n ASP 431 Cb 0.03 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 39.43 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 -0.89 3.95 0.00 -0.67 0.05 -1.26 -3.04 135.00 133.14 2wft s PRO 432 Ca 0.32 1.39 0.00 0.00 0.05 0.00 0.00 61.00 62.76 2wft s PRO 432 Cb 0.06 -2.24 0.00 0.00 0.05 0.00 0.00 34.50 32.37 2wft s PRO 432 CO -0.15 -0.30 0.00 0.41 0.05 0.00 0.00 177.00 177.00 2wft n GLY 433 N -0.10 1.10 3.72 0.56 0.00 -1.07 -4.75 105.19 104.65 2wft n GLY 433 Ca 0.08 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 2.03 4.51 -0.16 1.61 3.00 -0.85 -4.88 118.95 124.21 2wft s ARG 434 Ca 0.00 1.69 -0.07 0.00 -1.00 0.00 0.00 55.73 56.35 2wft s ARG 434 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.57 2wft s ARG 434 CO 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 175.30 175.30 2wft s ALA 436 N -0.15 2.54 -0.24 0.00 0.00 0.41 -4.81 121.76 119.51 2wft s ALA 436 Ca 0.09 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2wft s ALA 436 Cb -0.12 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.74 2wft s ALA 436 CO 0.01 -1.11 0.13 0.08 0.00 0.00 0.00 175.76 174.87 2wft s VAL 437 N -2.07 -0.12 -0.12 0.00 1.01 -1.26 -1.84 120.40 116.00 2wft s VAL 437 Ca 0.70 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2wft s VAL 437 Cb -0.23 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2wft s VAL 437 CO 0.36 -0.51 0.54 -0.62 0.00 0.00 0.00 175.10 174.86 2wft s ASP 438 N 2.15 6.74 0.00 3.32 3.68 -0.42 -4.63 116.67 127.51 2wft s ASP 438 Ca 0.06 0.89 0.16 0.00 2.13 0.00 0.00 52.55 55.79 2wft s ASP 438 Cb -0.16 -2.32 0.34 0.00 -1.45 0.00 0.00 42.92 39.34 2wft s ASP 438 CO -0.25 -0.06 1.26 0.54 0.13 0.00 0.00 175.17 176.79 2wft n ARG 439 N 3.90 2.31 -3.80 4.34 1.74 -1.26 -2.31 116.66 121.58 2wft n ARG 439 Ca -0.05 -2.04 -0.30 0.00 -0.77 0.00 0.00 57.85 54.69 2wft n ARG 439 Cb 0.51 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 2wft n ARG 439 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2wft n HIS 440 N 0.97 -1.47 -0.35 -1.55 8.25 -1.26 -4.83 115.22 114.98 2wft n HIS 440 Ca 0.15 0.41 -0.02 0.00 -0.26 0.00 0.00 57.72 57.99 2wft n HIS 440 Cb 0.48 -2.33 0.10 0.00 1.12 0.00 0.00 29.99 29.36 2wft n HIS 440 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wft h PRO 441 N -0.86 1.21 0.00 -0.41 0.13 -1.93 -3.34 132.00 126.80 2wft h PRO 441 Ca -0.58 -0.07 -0.20 0.00 -0.87 0.00 0.00 66.00 64.28 2wft h PRO 441 Cb 1.20 -0.27 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 2wft h PRO 441 CO 0.37 0.80 -1.35 0.25 -0.23 0.00 0.00 178.00 177.84 2wft n THR 442 N -4.45 1.50 -1.48 1.56 -2.24 -1.26 -4.87 114.28 103.04 2wft n THR 442 Ca 0.11 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 2wft n THR 442 Cb 0.03 -2.13 -0.11 0.00 -2.10 0.00 0.00 70.33 66.03 2wft n THR 442 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wft n ASP 443 N -4.44 1.00 0.16 3.42 -0.08 -1.25 -4.80 116.55 110.56 2wft n ASP 443 Ca -0.29 0.10 0.12 0.00 -1.51 0.00 0.00 54.79 53.21 2wft n ASP 443 Cb 0.61 -1.11 0.09 0.00 2.34 0.00 0.00 41.12 43.05 2wft n ASP 443 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2wft h ILE 444 N 7.73 0.00 0.05 5.18 2.10 -1.89 -3.35 117.51 127.33 2wft h ILE 444 Ca -0.12 -0.99 -0.00 0.00 1.08 0.00 0.00 64.86 64.83 2wft h ILE 444 Cb 1.31 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 38.77 2wft h ILE 444 CO 1.26 0.00 -0.02 -1.13 -1.08 0.00 0.00 178.15 177.18 2wft h ASN 445 N 0.00 -0.06 -3.28 2.19 -1.24 -1.96 -3.45 115.58 107.78 2wft h ASN 445 Ca 0.00 -0.57 -0.57 0.00 0.71 0.00 0.00 56.30 55.87 2wft h ASN 445 Cb 0.99 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.02 2wft h ASN 445 CO 0.00 0.58 -0.05 -0.63 -1.29 0.00 0.00 177.43 176.05 2wft s ILE 446 N -3.43 4.77 -0.22 2.57 1.01 -1.26 -4.79 121.20 119.86 2wft s ILE 446 Ca -0.15 1.08 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 2wft s ILE 446 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2wft s ILE 446 CO 0.61 0.43 -0.24 -3.20 0.00 0.00 0.00 174.94 172.53 2wft n ASN 447 N 1.34 1.92 -3.70 3.58 5.15 -0.00 -4.82 115.26 118.72 2wft n ASN 447 Ca -0.08 0.39 -0.11 0.00 -0.60 0.00 0.00 54.58 54.18 2wft n ASN 447 Cb 0.51 -0.82 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 2wft n ASN 447 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2wft s LEU 448 N -7.80 -0.04 -0.07 1.20 2.96 -1.24 -4.42 118.68 109.27 2wft s LEU 448 Ca -0.31 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2wft s LEU 448 Cb 0.08 1.31 -0.01 0.00 0.50 0.00 0.00 46.19 48.07 2wft s LEU 448 CO 0.45 -0.19 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.17 2wft s THR 449 N 1.34 2.19 -0.23 3.68 2.01 -0.98 -1.85 115.64 121.81 2wft s THR 449 Ca -0.09 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.92 2wft s THR 449 Cb -0.08 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.65 2wft s THR 449 CO -0.12 0.57 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.62 2wft s ILE 450 N -0.03 2.32 -0.18 1.82 1.01 0.55 -1.30 121.20 125.39 2wft s ILE 450 Ca -0.07 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 2wft s ILE 450 Cb -0.15 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 2wft s ILE 450 CO 0.05 0.22 -0.12 -0.22 0.00 0.00 0.00 174.94 174.87 2wft s LEU 451 N 1.22 2.59 -0.12 2.97 0.20 -0.77 -1.26 118.68 123.52 2wft s LEU 451 Ca -0.02 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.38 2wft s LEU 451 Cb -0.17 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2wft s LEU 451 CO -0.08 0.05 -0.22 0.00 -0.29 0.00 0.00 176.35 175.82 2wft s SER 453 N 0.56 5.63 -0.04 0.00 1.04 -1.26 -0.75 113.70 118.88 2wft s SER 453 Ca -0.13 1.77 -0.20 0.00 0.48 0.00 0.00 55.95 57.87 2wft s SER 453 Cb -0.17 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.47 2wft s SER 453 CO 0.04 -1.27 0.44 -0.62 0.98 0.00 0.00 173.24 172.81 2wft s ASP 454 N -3.05 -0.37 0.00 7.02 -1.08 0.11 -2.61 116.67 116.69 2wft s ASP 454 Ca 0.62 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 2wft s ASP 454 Cb -0.16 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 2wft s ASP 454 CO 0.42 -0.46 0.00 -1.20 0.52 0.00 0.00 175.17 174.45 2wft n SER 455 N 1.35 0.00 0.00 -0.34 7.64 -1.17 -0.56 113.62 120.54 2wft n SER 455 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2wft n SER 455 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2wft n SER 455 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wft n ASN 456 N 0.00 0.00 -4.71 6.43 5.15 -1.26 -4.75 115.26 116.12 2wft n ASN 456 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 2wft n ASN 456 Cb 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.35 2wft n ASN 456 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wft s ARG 460 N 0.00 1.74 0.08 1.20 0.52 -1.26 -5.11 118.95 116.11 2wft s ARG 460 Ca 0.00 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 2wft s ARG 460 Cb 0.00 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 2wft s ARG 460 CO 0.00 -1.59 1.37 -1.54 0.02 0.00 0.00 175.30 173.56 2wft s SER 461 N -4.64 6.87 0.27 0.23 1.04 -1.26 -4.98 113.70 111.23 2wft s SER 461 Ca 0.64 2.22 -0.05 0.00 0.48 0.00 0.00 55.95 59.25 2wft s SER 461 Cb -0.09 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 2wft s SER 461 CO 0.47 -0.65 0.37 -0.94 0.98 0.00 0.00 173.24 173.47 2wft s SER 462 N 1.33 0.45 0.33 7.02 1.04 0.28 -4.73 113.70 119.41 2wft s SER 462 Ca 0.64 -1.31 0.08 0.00 0.48 0.00 0.00 55.95 55.84 2wft s SER 462 Cb -0.34 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2wft s SER 462 CO 0.29 -1.11 0.11 0.00 0.98 0.00 0.00 173.24 173.52 2wft s ALA 463 N -3.69 3.43 -0.14 5.32 0.00 -0.41 0.04 121.76 126.32 2wft s ALA 463 Ca 0.31 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 2wft s ALA 463 Cb 0.02 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.44 2wft s ALA 463 CO 0.15 0.08 0.36 1.03 0.00 0.00 0.00 175.76 177.38 2wft s ARG 464 N -3.81 0.40 0.16 0.00 0.52 0.07 -3.39 118.95 112.90 2wft s ARG 464 Ca 0.36 0.55 0.09 0.00 -0.52 0.00 0.00 55.73 56.21 2wft s ARG 464 Cb -0.03 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 2wft s ARG 464 CO 0.22 -0.08 -0.19 -1.50 0.02 0.00 0.00 175.30 173.77 2wft s ILE 465 N 0.46 1.89 -0.04 1.52 2.07 -1.11 -0.61 121.20 125.37 2wft s ILE 465 Ca -0.02 -1.89 -0.02 0.00 -1.41 0.00 0.00 60.65 57.30 2wft s ILE 465 Cb -0.04 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.73 2wft s ILE 465 CO -0.02 -0.26 0.07 -0.76 -1.91 0.00 0.00 174.94 172.06 2wft s LEU 466 N -2.58 0.23 -0.03 8.50 1.43 -0.39 -3.08 118.68 122.75 2wft s LEU 466 Ca 0.15 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 2wft s LEU 466 Cb -0.06 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.05 2wft s LEU 466 CO 0.07 -0.23 -0.24 -1.10 0.23 0.00 0.00 176.35 175.08 2wft s GLN 467 N 2.05 2.25 -0.10 1.70 -0.21 -1.26 -0.33 119.66 123.76 2wft s GLN 467 Ca 0.03 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.57 2wft s GLN 467 Cb -0.12 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.77 2wft s GLN 467 CO -0.03 0.54 -0.24 0.42 -2.12 0.00 0.00 175.29 173.86 2wft s ILE 468 N -0.56 2.06 -0.06 1.08 1.09 -0.77 -5.00 121.20 119.04 2wft s ILE 468 Ca 0.08 -1.02 0.04 0.00 -1.10 0.00 0.00 60.65 58.66 2wft s ILE 468 Cb -0.11 -1.78 -0.07 0.00 -1.06 0.00 0.00 42.46 39.44 2wft s ILE 468 CO -0.00 0.56 -0.00 -0.38 -0.10 0.00 0.00 174.94 175.02 2wft n ILE 469 N 3.53 0.42 0.00 2.92 2.08 -1.26 -0.82 119.36 126.23 2wft n ILE 469 Ca -0.19 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 62.88 2wft n ILE 469 Cb 0.53 -0.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.60 2wft n ILE 469 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2wft n SER 479 N -2.35 0.00 -4.21 4.38 7.64 -1.26 -4.84 113.62 112.98 2wft n SER 479 Ca -0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.59 2wft n SER 479 Cb 0.68 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 2wft n SER 479 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2wft s LEU 480 N 0.00 2.36 -0.07 -3.43 0.05 -1.26 -4.85 118.68 111.48 2wft s LEU 480 Ca 0.00 -0.74 0.02 0.00 0.05 0.00 0.00 54.13 53.46 2wft s LEU 480 Cb 0.00 -0.52 -0.03 0.00 -2.05 0.00 0.00 46.19 43.59 2wft s LEU 480 CO 0.00 -0.13 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.81 2wft s LEU 481 N -2.20 2.95 -0.87 1.48 1.43 -1.18 -4.91 118.68 115.38 2wft s LEU 481 Ca 0.05 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2wft s LEU 481 Cb -0.07 -1.63 0.23 0.00 0.03 0.00 0.00 46.19 44.76 2wft s LEU 481 CO 0.02 0.34 0.82 1.21 0.23 0.00 0.00 176.35 178.97 2wft n GLU 482 N 2.39 2.73 -2.67 1.70 2.13 -1.26 -2.76 120.64 122.89 2wft n GLU 482 Ca -0.18 -4.52 -0.23 0.00 0.66 0.00 0.00 57.16 52.90 2wft n GLU 482 Cb 0.53 -2.39 0.11 0.00 0.27 0.00 0.00 31.44 29.95 2wft n GLU 482 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2wft s PHE 483 N -1.68 1.40 -0.41 4.31 -0.00 -1.22 -4.94 117.98 115.45 2wft s PHE 483 Ca 0.29 -0.40 0.04 0.00 -0.00 0.00 0.00 56.93 56.86 2wft s PHE 483 Cb -0.03 -2.86 0.16 0.00 -0.00 0.00 0.00 43.02 40.29 2wft s PHE 483 CO -0.10 -1.70 0.38 -1.59 -0.00 0.00 0.00 175.22 172.22 2wft s LYS 484 N -5.09 0.81 0.43 1.99 -2.85 -1.26 -1.29 119.74 112.48 2wft s LYS 484 Ca 0.66 -1.55 0.24 0.00 -1.00 0.00 0.00 55.97 54.33 2wft s LYS 484 Cb -0.05 -1.04 0.53 0.00 -2.06 0.00 0.00 37.83 35.21 2wft s LYS 484 CO 0.44 -1.31 1.67 -1.35 0.10 0.00 0.00 175.35 174.90 2wft h PRO 485 N 6.10 0.00 -6.62 1.78 0.11 -1.91 -3.46 132.00 128.00 2wft h PRO 485 Ca 0.15 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.75 2wft h PRO 485 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2wft h PRO 485 CO 0.26 0.11 0.15 -0.06 -0.21 0.00 0.00 178.00 178.25 2wft s PHE 486 N -3.29 3.67 -0.03 0.65 0.08 -1.26 -4.39 117.98 113.40 2wft s PHE 486 Ca 0.05 1.47 0.05 0.00 0.12 0.00 0.00 56.93 58.62 2wft s PHE 486 Cb 0.07 -2.68 0.08 0.00 -0.57 0.00 0.00 43.02 39.91 2wft s PHE 486 CO 0.66 0.32 0.95 -1.13 -0.10 0.00 0.00 175.22 175.92 2wft n SER 487 N 0.73 1.52 0.00 1.36 3.41 -1.26 -4.95 113.62 114.42 2wft n SER 487 Ca -0.02 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2wft n SER 487 Cb 0.51 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2wft n SER 487 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wft n ASN 488 N -0.60 0.00 -2.64 4.04 4.05 -1.26 -5.17 115.26 113.68 2wft n ASN 488 Ca 0.04 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.07 2wft n ASN 488 Cb 0.45 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.46 2wft n ASN 488 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wft n GLY 489 N 4.87 0.63 3.66 8.20 0.00 -1.26 -4.72 105.19 116.56 2wft n GLY 489 Ca 0.00 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 4.08 0.39 1.61 0.05 -1.26 -4.60 135.00 135.27 2wft s PRO 490 Ca 0.00 -0.22 -0.15 0.00 0.05 0.00 0.00 61.00 60.68 2wft s PRO 490 Cb 0.00 -3.54 -0.08 0.00 0.05 0.00 0.00 34.50 30.93 2wft s PRO 490 CO 0.00 0.05 0.82 -0.51 0.05 0.00 0.00 177.00 177.40 2wft s LEU 491 N 1.09 3.91 0.11 -3.56 1.43 -1.26 -4.34 118.68 116.05 2wft s LEU 491 Ca 0.09 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.48 2wft s LEU 491 Cb -0.14 -4.19 -0.17 0.00 0.03 0.00 0.00 46.19 41.72 2wft s LEU 491 CO 0.05 -0.35 1.23 0.58 0.23 0.00 0.00 176.35 178.10 2wft h VAL 492 N 1.53 1.45 0.00 -1.59 2.07 -1.29 -3.46 116.25 114.96 2wft h VAL 492 Ca -0.48 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.32 2wft h VAL 492 Cb 1.18 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2wft h VAL 492 CO 0.64 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.64 2wft n GLY 493 N 1.20 -0.35 3.76 2.17 0.00 -1.23 -2.01 105.19 108.74 2wft n GLY 493 Ca -0.07 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 0.38 0.15 -0.02 0.00 -0.25 -2.21 107.32 105.38 2wft s GLY 494 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 2wft s GLY 494 CO 0.00 -0.36 0.43 -0.11 0.00 0.00 0.00 173.10 173.07 2wft s PHE 495 N -3.01 -0.17 -0.27 1.90 -0.71 0.08 -3.41 117.98 112.38 2wft s PHE 495 Ca 0.17 -0.15 -0.04 0.00 -1.04 0.00 0.00 56.93 55.86 2wft s PHE 495 Cb -0.04 0.29 0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2wft s PHE 495 CO 0.11 -0.76 0.02 0.08 -1.34 0.00 0.00 175.22 173.32 2wft s VAL 496 N -3.83 3.49 -0.04 -2.49 1.01 -1.26 -0.22 120.40 117.06 2wft s VAL 496 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2wft s VAL 496 Cb 0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2wft s VAL 496 CO -0.09 0.14 1.24 -0.47 0.00 0.00 0.00 175.10 175.92 2wft s TYR 497 N 1.42 3.13 -0.08 5.22 5.04 -0.34 -4.88 117.35 126.86 2wft s TYR 497 Ca 0.02 1.14 0.14 0.00 -2.44 0.00 0.00 57.07 55.92 2wft s TYR 497 Cb -0.17 -3.47 0.29 0.00 0.35 0.00 0.00 41.96 38.96 2wft s TYR 497 CO -0.01 -1.54 1.14 -2.13 -1.34 0.00 0.00 175.55 171.67 2wft n ARG 498 N 5.20 0.69 -1.73 4.97 3.00 -1.26 -1.54 116.66 126.00 2wft n ARG 498 Ca 0.11 -2.21 -0.24 0.00 -0.00 0.00 0.00 57.85 55.51 2wft n ARG 498 Cb 0.46 -0.87 0.16 0.00 0.00 0.00 0.00 32.46 32.21 2wft n ARG 498 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wft n GLY 499 N -0.47 -1.12 0.00 5.14 0.00 -1.11 -4.72 105.19 102.91 2wft n GLY 499 Ca 0.10 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.43 2wft n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wft h GLN 501 N 0.00 0.53 -5.63 0.00 -0.00 -1.93 -3.40 115.11 104.68 2wft h GLN 501 Ca 0.00 -0.77 -0.59 0.00 -0.00 0.00 0.00 58.65 57.29 2wft h GLN 501 Cb 0.51 0.27 -0.10 0.00 0.00 0.00 0.00 27.48 28.16 2wft h GLN 501 CO 0.00 1.35 0.03 0.45 0.00 0.00 0.00 178.83 180.66 2wft s SER 502 N -7.32 6.65 -0.12 -0.69 0.15 -1.26 -4.75 113.70 106.35 2wft s SER 502 Ca -0.10 0.78 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 2wft s SER 502 Cb 0.04 -2.32 -0.18 0.00 -1.71 0.00 0.00 66.02 61.85 2wft s SER 502 CO 0.91 -0.21 0.55 -0.33 1.20 0.00 0.00 173.24 175.36 2wft h GLU 503 N 7.38 -0.01 -0.62 5.44 5.08 -1.91 -3.33 114.58 126.61 2wft h GLU 503 Ca -0.34 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2wft h GLU 503 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2wft h GLU 503 CO 0.76 0.67 0.79 0.07 -1.00 0.00 0.00 179.01 180.29 2wft h ARG 504 N -0.99 0.00 0.00 2.33 0.11 -1.98 -1.37 114.38 112.48 2wft h ARG 504 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wft h ARG 504 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2wft h ARG 504 CO 0.00 0.00 -1.48 -0.11 0.10 0.00 0.00 179.97 178.48 2wft n LEU 505 N -3.39 0.34 -4.52 0.08 7.94 -1.26 -4.91 117.00 111.27 2wft n LEU 505 Ca 0.13 -0.20 -0.44 0.00 -1.11 0.00 0.00 56.01 54.40 2wft n LEU 505 Cb 1.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.95 2wft n LEU 505 CO 0.23 0.09 0.33 0.00 -1.11 0.00 0.00 177.39 176.93 2wft n TYR 506 N -1.88 0.43 -0.48 1.96 9.36 -0.52 -0.65 117.16 125.39 2wft n TYR 506 Ca -0.01 0.69 0.00 0.00 3.32 0.00 0.00 57.90 61.90 2wft n TYR 506 Cb 0.42 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.00 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 1.51 0.12 3.79 2.98 0.00 -0.59 -4.99 105.19 108.01 2wft n GLY 507 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 6.77 -0.30 1.61 0.01 0.18 -4.75 113.70 115.11 2wft s SER 508 Ca 0.00 1.94 -0.20 0.00 1.31 0.00 0.00 55.95 59.00 2wft s SER 508 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2wft s SER 508 CO 0.00 -0.48 0.63 -0.31 0.41 0.00 0.00 173.24 173.49 2wft s TYR 509 N -1.79 3.21 -0.14 2.43 1.51 -1.23 -1.20 117.35 120.14 2wft s TYR 509 Ca 0.59 0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 57.20 2wft s TYR 509 Cb -0.19 -2.99 -0.03 0.00 -0.11 0.00 0.00 41.96 38.64 2wft s TYR 509 CO 0.23 -0.47 -0.00 0.08 -1.11 0.00 0.00 175.55 174.28 2wft s VAL 510 N 2.62 4.24 0.07 0.71 1.01 0.70 -0.64 120.40 129.11 2wft s VAL 510 Ca 0.25 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2wft s VAL 510 Cb -0.15 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2wft s VAL 510 CO 0.12 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.16 2wft s PHE 511 N 0.00 1.84 0.06 5.22 0.40 -0.15 -0.74 117.98 124.60 2wft s PHE 511 Ca 0.03 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2wft s PHE 511 Cb -0.13 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 2wft s PHE 511 CO 0.02 0.15 -0.05 0.20 0.70 0.00 0.00 175.22 176.24 2wft s GLY 512 N -1.50 0.53 0.56 4.36 0.00 -0.94 -1.06 107.32 109.28 2wft s GLY 512 Ca 0.07 -1.08 0.09 0.00 0.00 0.00 0.00 44.72 43.80 2wft s GLY 512 CO 0.03 -1.18 0.74 0.51 0.00 0.00 0.00 173.10 173.20 2wft s ASP 513 N -2.51 5.08 0.41 1.64 -4.77 -1.09 -0.85 116.67 114.58 2wft s ASP 513 Ca 0.02 -0.87 0.12 0.00 -3.30 0.00 0.00 52.55 48.52 2wft s ASP 513 Cb 0.01 0.26 0.96 0.00 -1.09 0.00 0.00 42.92 43.07 2wft s ASP 513 CO -0.05 -1.28 1.95 -0.09 0.70 0.00 0.00 175.17 176.40 2wft h ARG 514 N 0.27 0.48 -0.66 2.11 2.43 -1.85 -1.94 114.38 115.22 2wft h ARG 514 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2wft h ARG 514 Cb 1.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 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 -4.48 3.85 0.00 -3.80 5.15 -1.26 -0.50 115.26 114.22 2wft n ASN 515 Ca 0.11 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.10 2wft n ASN 515 Cb 0.38 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 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 1.64 0.68 3.51 8.20 0.00 -0.73 -5.00 105.19 113.49 2wft n GLY 516 Ca 0.24 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.69 6.32 0.43 1.61 -0.87 -1.26 -4.91 114.94 113.56 2wft s ASN 517 Ca 0.00 -0.44 -0.03 0.00 -1.57 0.00 0.00 52.86 50.82 2wft s ASN 517 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.79 2wft s ASN 517 CO 0.00 -1.13 0.69 -0.36 -2.57 0.00 0.00 177.10 173.72 2wft s PHE 518 N 3.63 3.54 0.09 2.20 0.08 -1.26 -2.65 117.98 123.61 2wft s PHE 518 Ca 0.27 0.62 -0.12 0.00 0.12 0.00 0.00 56.93 57.82 2wft s PHE 518 Cb -0.14 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2wft s PHE 518 CO 0.18 -0.11 0.29 -0.48 -0.10 0.00 0.00 175.22 175.00 2wft s LEU 519 N -4.56 0.94 0.21 -0.37 0.05 -0.22 -2.57 118.68 112.15 2wft s LEU 519 Ca 0.44 -0.42 0.08 0.00 0.05 0.00 0.00 54.13 54.28 2wft s LEU 519 Cb -0.10 1.39 -0.04 0.00 -2.05 0.00 0.00 46.19 45.39 2wft s LEU 519 CO 0.41 -0.74 0.01 0.28 -0.55 0.00 0.00 176.35 175.76 2wft s THR 520 N -3.52 3.70 -0.04 5.48 -1.32 0.19 -0.98 115.64 119.15 2wft s THR 520 Ca 0.02 -1.56 0.04 0.00 -1.21 0.00 0.00 61.69 58.98 2wft s THR 520 Cb 0.02 -2.91 -0.00 0.00 -1.51 0.00 0.00 72.50 68.11 2wft s THR 520 CO -0.09 -0.21 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.19 2wft s LEU 521 N -3.23 1.91 -0.06 9.08 1.43 0.19 -2.34 118.68 125.66 2wft s LEU 521 Ca 0.29 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2wft s LEU 521 Cb -0.08 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.23 2wft s LEU 521 CO 0.19 0.15 -0.18 -1.58 0.23 0.00 0.00 176.35 175.16 2wft s GLN 522 N 0.02 2.10 0.01 1.70 2.00 -0.97 -3.50 119.66 121.03 2wft s GLN 522 Ca -0.03 -0.64 -0.16 0.00 -2.00 0.00 0.00 55.36 52.53 2wft s GLN 522 Cb -0.11 -1.72 -0.06 0.00 0.80 0.00 0.00 33.01 31.92 2wft s GLN 522 CO 0.02 0.18 0.46 -1.14 -0.50 0.00 0.00 175.29 174.31 2wft s GLN 523 N 0.27 4.03 -0.09 1.67 0.74 -1.26 -1.39 119.66 123.63 2wft s GLN 523 Ca -0.10 0.51 -0.30 0.00 0.05 0.00 0.00 55.36 55.52 2wft s GLN 523 Cb -0.14 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 2wft s GLN 523 CO 0.04 0.63 1.47 0.45 -0.55 0.00 0.00 175.29 177.33 2wft s SER 524 N -0.94 6.80 0.21 6.67 0.15 -0.47 -4.91 113.70 121.21 2wft s SER 524 Ca 0.25 2.00 -0.09 0.00 0.70 0.00 0.00 55.95 58.81 2wft s SER 524 Cb -0.17 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 61.82 2wft s SER 524 CO 0.15 -0.83 1.84 -0.65 1.20 0.00 0.00 173.24 174.94 2wft h PRO 525 N 8.79 0.80 0.74 5.44 0.11 -1.96 0.29 132.00 146.20 2wft h PRO 525 Ca -0.34 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 2wft h PRO 525 Cb 1.15 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2wft h PRO 525 CO 0.95 0.53 -0.46 0.28 -0.21 0.00 0.00 178.00 179.09 2wft h VAL 526 N 0.83 0.07 -0.00 3.15 2.07 -1.99 -3.37 116.25 117.02 2wft h VAL 526 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2wft h VAL 526 Cb 0.08 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2wft h VAL 526 CO -0.13 0.00 -0.64 0.35 0.02 0.00 0.00 177.57 177.17 2wft n THR 527 N -5.60 0.00 -0.74 2.57 -2.24 -1.21 -4.98 114.28 102.09 2wft n THR 527 Ca -0.14 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2wft n THR 527 Cb 0.48 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 2wft n THR 527 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wft n LYS 528 N -1.26 -0.10 -1.61 -0.78 4.76 1.00 -4.97 118.16 115.18 2wft n LYS 528 Ca 0.03 0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 2wft n LYS 528 Cb 0.22 -3.69 0.06 0.00 -1.84 0.00 0.00 35.03 29.77 2wft n LYS 528 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2wft s GLN 529 N -0.63 2.71 -0.05 1.97 -1.52 -1.26 -4.70 119.66 116.18 2wft s GLN 529 Ca 0.00 1.24 0.04 0.00 -1.95 0.00 0.00 55.36 54.68 2wft s GLN 529 Cb 0.00 -1.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.81 2wft s GLN 529 CO 0.00 -1.30 -0.14 -1.58 -0.25 0.00 0.00 175.29 172.02 2wft s TRP 530 N -2.63 2.71 -0.04 0.91 0.52 -1.26 -1.37 118.94 117.78 2wft s TRP 530 Ca 0.63 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.63 2wft s TRP 530 Cb -0.18 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.52 2wft s TRP 530 CO 0.47 0.19 -0.12 -1.14 0.02 0.00 0.00 176.95 176.38 2wft s GLN 531 N -0.74 1.39 -0.34 4.98 2.00 -0.48 -4.85 119.66 121.61 2wft s GLN 531 Ca 0.12 -0.41 -0.26 0.00 -2.00 0.00 0.00 55.36 52.80 2wft s GLN 531 Cb -0.11 -1.22 0.01 0.00 0.80 0.00 0.00 33.01 32.50 2wft s GLN 531 CO 0.01 0.11 0.94 -1.83 -0.50 0.00 0.00 175.29 174.02 2wft s GLU 532 N 0.32 3.94 -0.08 1.67 -1.05 -1.26 -2.28 118.70 119.96 2wft s GLU 532 Ca -0.07 0.74 -0.11 0.00 -0.15 0.00 0.00 54.97 55.37 2wft s GLU 532 Cb -0.12 -3.77 -0.05 0.00 -0.44 0.00 0.00 34.13 29.76 2wft s GLU 532 CO 0.02 -0.88 0.27 0.15 0.95 0.00 0.00 175.26 175.77 2wft s LYS 533 N 3.42 3.78 0.67 -4.83 1.02 -0.99 -4.93 119.74 117.89 2wft s LYS 533 Ca 0.39 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.34 2wft s LYS 533 Cb -0.12 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2wft s LYS 533 CO 0.16 0.64 1.16 -2.14 -0.92 0.00 0.00 175.35 174.25 2wft s PRO 534 N -0.76 2.59 -0.05 -1.68 0.02 -1.26 0.52 135.00 134.39 2wft s PRO 534 Ca 0.18 1.58 0.02 0.00 0.02 0.00 0.00 61.00 62.80 2wft s PRO 534 Cb -0.14 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.49 2wft s PRO 534 CO 0.07 -1.45 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.06 2wft s LEU 535 N -4.84 1.48 0.23 -5.54 0.20 -1.06 -4.71 118.68 104.44 2wft s LEU 535 Ca 0.71 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 55.44 2wft s LEU 535 Cb -0.25 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.91 2wft s LEU 535 CO 0.41 -0.01 -0.04 0.00 -0.29 0.00 0.00 176.35 176.41 2wft s LEU 537 N -3.35 2.92 0.03 0.00 1.43 -1.26 -0.03 118.68 118.42 2wft s LEU 537 Ca 0.29 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2wft s LEU 537 Cb -0.07 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2wft s LEU 537 CO 0.18 0.34 0.17 -0.83 0.23 0.00 0.00 176.35 176.44 2wft s GLY 538 N -0.67 0.05 0.31 -3.19 0.00 0.80 -4.79 107.32 99.83 2wft s GLY 538 Ca 0.10 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 2wft s GLY 538 CO 0.01 -0.43 1.07 -1.59 0.00 0.00 0.00 173.10 172.16 2wft s THR 539 N -2.27 3.59 -0.37 0.90 2.01 -1.26 -3.92 115.64 114.31 2wft s THR 539 Ca -0.07 1.50 0.05 0.00 0.31 0.00 0.00 61.69 63.48 2wft s THR 539 Cb -0.03 -3.92 0.17 0.00 0.01 0.00 0.00 72.50 68.74 2wft s THR 539 CO -0.02 0.28 0.51 -0.44 -0.69 0.00 0.00 174.62 174.26 2wft s SER 540 N -1.07 -0.35 0.98 3.53 0.01 0.03 -4.91 113.70 111.91 2wft s SER 540 Ca 0.47 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2wft s SER 540 Cb -0.29 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.31 2wft s SER 540 CO 0.37 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2wft n GLY 541 N 4.54 1.68 0.07 3.44 0.00 -1.26 -2.60 105.19 111.06 2wft n GLY 541 Ca 0.09 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 4.45 0.38 -4.47 1.61 3.41 -1.26 -4.68 113.62 113.07 2wft n SER 542 Ca 0.00 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 2wft n SER 542 Cb 0.00 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 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 1.67 2.63 -0.07 0.00 1.81 -0.79 -0.79 118.95 123.40 2wft s ARG 544 Ca 0.05 -0.67 0.16 0.00 -1.72 0.00 0.00 55.73 53.55 2wft s ARG 544 Cb -0.18 -2.47 0.54 0.00 -0.45 0.00 0.00 34.95 32.38 2wft s ARG 544 CO 0.09 -0.67 1.46 0.41 -0.68 0.00 0.00 175.30 175.92 2wft n GLY 545 N -2.34 2.93 3.33 -3.53 0.00 -1.25 -0.49 105.19 103.85 2wft n GLY 545 Ca 0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.59 1.22 0.22 1.61 -0.85 -1.26 -4.51 117.35 112.18 2wft s TYR 546 Ca 0.40 -1.36 -0.15 0.00 -0.52 0.00 0.00 57.07 55.44 2wft s TYR 546 Cb 0.25 -0.42 0.01 0.00 0.38 0.00 0.00 41.96 42.18 2wft s TYR 546 CO 0.20 -0.85 0.49 -0.59 -1.52 0.00 0.00 175.55 173.28 2wft s PHE 547 N -3.72 0.16 0.26 -3.49 -0.12 -1.26 -4.78 117.98 105.03 2wft s PHE 547 Ca 0.36 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 2wft s PHE 547 Cb 0.03 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2wft s PHE 547 CO 0.18 -0.95 0.45 -1.54 -0.05 0.00 0.00 175.22 173.31 2wft s SER 548 N -2.95 6.35 0.47 1.98 1.04 -1.26 -4.98 113.70 114.35 2wft s SER 548 Ca 0.16 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2wft s SER 548 Cb -0.01 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2wft s SER 548 CO 0.04 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2wft n GLY 549 N -1.13 0.13 3.34 7.32 0.00 -1.26 -4.52 105.19 109.06 2wft n GLY 549 Ca -0.05 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 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 2.03 0.04 1.61 0.09 0.20 -4.87 115.29 114.39 2wft s HIS 550 Ca 0.00 -0.40 -0.30 0.00 -0.00 0.00 0.00 55.06 54.35 2wft s HIS 550 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 32.58 31.42 2wft s HIS 550 CO 0.00 0.28 1.31 0.42 -0.00 0.00 0.00 174.74 176.75 2wft s ILE 551 N -1.18 3.80 -0.07 0.60 1.01 0.35 -1.71 121.20 123.99 2wft s ILE 551 Ca 0.11 1.24 0.14 0.00 0.00 0.00 0.00 60.65 62.14 2wft s ILE 551 Cb -0.10 -3.80 -0.20 0.00 0.01 0.00 0.00 42.46 38.37 2wft s ILE 551 CO 0.05 0.05 0.21 0.18 0.00 0.00 0.00 174.94 175.43 2wft n LEU 552 N 4.59 0.00 -3.91 2.97 4.77 0.65 -4.72 117.00 121.34 2wft n LEU 552 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2wft n LEU 552 Cb 0.45 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 2wft n LEU 552 CO 0.57 0.15 0.93 -0.83 -1.33 0.00 0.00 177.39 176.88 2wft s GLY 553 N -4.14 -0.01 0.29 -0.72 0.00 -1.17 -4.87 107.32 96.71 2wft s GLY 553 Ca -0.06 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.56 2wft s GLY 553 CO 0.60 3.51 0.03 -1.36 0.00 0.00 0.00 173.10 175.87 2wft s PHE 554 N -2.14 1.83 0.00 1.90 0.08 -1.26 -1.48 117.98 116.91 2wft s PHE 554 Ca 0.24 -0.93 -0.08 0.00 0.12 0.00 0.00 56.93 56.28 2wft s PHE 554 Cb -0.01 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 2wft s PHE 554 CO 0.03 0.01 0.15 0.20 -0.10 0.00 0.00 175.22 175.50 2wft s GLY 555 N -3.42 0.03 -0.02 4.36 0.00 0.06 -2.27 107.32 106.06 2wft s GLY 555 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2wft s GLY 555 CO 0.13 -0.25 0.00 1.85 0.00 0.00 0.00 173.10 174.83 2wft s GLU 556 N -1.38 0.22 0.69 2.90 2.12 -0.88 0.50 118.70 122.87 2wft s GLU 556 Ca -0.15 0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.28 2wft s GLU 556 Cb -0.07 -0.37 0.13 0.00 0.26 0.00 0.00 34.13 34.07 2wft s GLU 556 CO 0.02 -0.10 0.95 0.16 -0.54 0.00 0.00 175.26 175.75 2wft s ASP 557 N 0.78 4.49 0.54 -1.70 3.84 -0.17 -3.38 116.67 121.06 2wft s ASP 557 Ca -0.08 -0.66 0.32 0.00 -0.00 0.00 0.00 52.55 52.14 2wft s ASP 557 Cb -0.11 0.31 1.44 0.00 -1.38 0.00 0.00 42.92 43.19 2wft s ASP 557 CO -0.02 -1.79 2.03 -0.08 -0.00 0.00 0.00 175.17 175.31 2wft h GLU 558 N -0.34 0.00 -0.01 2.11 4.81 -1.88 -0.89 114.58 118.38 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 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2wft h GLU 558 CO 0.38 0.07 -0.18 1.28 -0.73 0.00 0.00 179.01 179.83 2wft n LEU 559 N -3.27 0.73 0.00 1.64 4.77 -1.26 -4.91 117.00 114.69 2wft n LEU 559 Ca -0.01 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wft n LEU 559 Cb 0.28 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2wft n LEU 559 CO 0.28 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2wft n GLY 560 N 1.31 0.73 3.86 -0.72 0.00 -0.34 -3.98 105.19 106.06 2wft n GLY 560 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.88 3.90 0.16 1.61 0.41 -1.26 -2.76 118.70 119.88 2wft s GLU 561 Ca 0.00 0.68 0.09 0.00 -0.41 0.00 0.00 54.97 55.33 2wft s GLU 561 Cb 0.00 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.99 2wft s GLU 561 CO 0.00 -0.06 -0.14 0.14 -0.49 0.00 0.00 175.26 174.71 2wft s VAL 562 N -2.35 3.00 0.12 2.63 -7.23 -1.26 -1.00 120.40 114.30 2wft s VAL 562 Ca 0.55 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2wft s VAL 562 Cb -0.10 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2wft s VAL 562 CO 0.27 -0.03 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.61 2wft s TYR 563 N -1.50 1.24 -0.12 2.82 2.02 0.18 -1.74 117.35 120.24 2wft s TYR 563 Ca 0.22 -0.65 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 2wft s TYR 563 Cb -0.09 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 2wft s TYR 563 CO 0.13 0.08 0.08 0.42 -1.57 0.00 0.00 175.55 174.68 2wft s ILE 564 N -2.60 4.99 -0.18 2.71 1.01 0.73 -0.76 121.20 127.09 2wft s ILE 564 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 2wft s ILE 564 Cb -0.02 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2wft s ILE 564 CO 0.01 0.59 -0.03 -0.76 0.00 0.00 0.00 174.94 174.75 2wft s LEU 565 N -0.74 3.18 0.11 2.97 1.02 -0.55 -1.29 118.68 123.39 2wft s LEU 565 Ca 0.12 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.08 2wft s LEU 565 Cb -0.12 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2wft s LEU 565 CO 0.03 0.11 -0.00 -0.94 0.02 0.00 0.00 176.35 175.56 2wft s SER 566 N 0.72 0.75 0.23 2.29 1.04 -0.18 -0.26 113.70 118.30 2wft s SER 566 Ca -0.01 -1.11 -0.22 0.00 0.48 0.00 0.00 55.95 55.09 2wft s SER 566 Cb -0.14 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.21 2wft s SER 566 CO 0.02 -0.60 0.86 -0.55 0.98 0.00 0.00 173.24 173.95 2wft s SER 567 N -3.05 -0.17 0.15 7.02 0.15 -0.70 -0.46 113.70 116.65 2wft s SER 567 Ca 0.17 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.25 2wft s SER 567 Cb 0.07 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 2wft s SER 567 CO -0.02 -1.18 0.10 -1.54 1.20 0.00 0.00 173.24 171.81 2wft n SER 568 N -0.65 0.03 0.11 5.45 3.41 -1.26 0.60 113.62 121.32 2wft n SER 568 Ca -0.05 -1.91 -0.04 0.00 -0.26 0.00 0.00 58.87 56.61 2wft n SER 568 Cb 0.60 0.63 0.09 0.00 -0.26 0.00 0.00 64.21 65.27 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 0.05 -0.20 4.33 3.64 -2.01 -1.27 116.57 121.11 2wft h LYS 569 Ca -0.11 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.02 2wft h LYS 569 Cb 0.50 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2wft h LYS 569 CO 0.16 0.74 -0.68 1.03 -2.27 0.00 0.00 179.45 178.43 2wft h SER 570 N 0.03 0.95 -0.70 4.20 0.87 -2.01 -3.30 113.55 113.60 2wft h SER 570 Ca -0.01 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 2wft h SER 570 Cb 1.27 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 2wft h SER 570 CO 0.10 1.38 0.38 -0.03 -0.53 0.00 0.00 176.83 178.12 2wft h MET 571 N 0.57 0.97 0.00 2.24 -1.53 -1.83 -3.19 114.93 112.17 2wft h MET 571 Ca -0.03 -0.12 -0.08 0.00 -3.44 0.00 0.00 59.70 56.03 2wft h MET 571 Cb 1.30 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 32.15 2wft h MET 571 CO 0.14 0.74 -0.40 0.00 0.14 0.00 0.00 176.91 177.53 2wft h THR 572 N 0.96 0.69 -0.00 -0.77 1.03 -1.36 1.14 112.91 114.60 2wft h THR 572 Ca 0.24 -1.95 -0.16 0.00 -0.01 0.00 0.00 66.41 64.54 2wft h THR 572 Cb 0.05 2.32 -0.02 0.00 -1.07 0.00 0.00 68.15 69.42 2wft h THR 572 CO -0.04 0.39 -0.74 -0.61 -0.01 0.00 0.00 175.52 174.51 2wft h GLN 573 N 0.00 0.00 -0.33 0.00 4.15 -1.62 -3.22 115.11 114.09 2wft h GLN 573 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wft h GLN 573 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2wft h GLN 573 CO 0.05 0.74 0.00 0.25 -1.93 0.00 0.00 178.83 177.94 2wft n THR 574 N -3.66 2.14 -3.78 2.39 -2.24 -1.23 -4.98 114.28 102.92 2wft n THR 574 Ca -0.01 -1.66 -0.28 0.00 -2.27 0.00 0.00 64.05 59.83 2wft n THR 574 Cb 0.72 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.13 -1.81 -2.66 4.78 8.25 -1.17 -4.94 115.22 117.54 2wft n HIS 575 Ca 0.21 0.59 -0.27 0.00 -0.26 0.00 0.00 57.72 57.99 2wft n HIS 575 Cb 0.86 -3.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.32 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 -2.82 4.57 -4.84 0.41 5.15 0.39 -3.56 115.26 114.56 2wft n ASN 576 Ca -0.19 -3.69 -0.31 0.00 -0.60 0.00 0.00 54.58 49.78 2wft n ASN 576 Cb 0.63 -0.50 0.01 0.00 -0.53 0.00 0.00 39.78 39.40 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 -3.51 1.79 0.05 8.20 0.00 0.01 -4.63 107.32 109.23 2wft s GLY 577 Ca 0.48 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.28 2wft s GLY 577 CO -0.17 0.36 -0.06 0.54 0.00 0.00 0.00 173.10 173.78 2wft s LYS 578 N -4.80 0.55 -0.28 2.90 1.02 0.39 -1.47 119.74 118.05 2wft s LYS 578 Ca 0.58 -0.92 -0.04 0.00 0.02 0.00 0.00 55.97 55.60 2wft s LYS 578 Cb -0.12 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.12 2wft s LYS 578 CO 0.48 -0.02 0.02 -1.17 -0.92 0.00 0.00 175.35 173.75 2wft s LEU 579 N -2.08 3.65 0.03 3.17 2.96 -0.20 -1.01 118.68 125.21 2wft s LEU 579 Ca -0.04 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.05 2wft s LEU 579 Cb -0.04 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2wft s LEU 579 CO -0.03 -0.19 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.42 2wft s TYR 580 N 1.40 2.81 -0.02 5.38 2.02 -0.41 0.27 117.35 128.80 2wft s TYR 580 Ca 0.00 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 2wft s TYR 580 Cb -0.17 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2wft s TYR 580 CO -0.00 0.37 0.12 0.21 -1.57 0.00 0.00 175.55 174.68 2wft s LYS 581 N -1.63 3.24 -0.08 -0.62 2.20 0.37 -0.19 119.74 123.04 2wft s LYS 581 Ca 0.18 -0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.24 2wft s LYS 581 Cb -0.11 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 2wft s LYS 581 CO 0.09 0.67 0.41 0.42 -0.36 0.00 0.00 175.35 176.59 2wft s ILE 582 N -1.22 5.14 -0.00 5.43 1.01 -0.71 -1.16 121.20 129.68 2wft s ILE 582 Ca 0.24 0.83 0.05 0.00 0.00 0.00 0.00 60.65 61.77 2wft s ILE 582 Cb -0.12 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2wft s ILE 582 CO 0.15 0.44 -0.15 -0.69 0.00 0.00 0.00 174.94 174.69 2wft s VAL 583 N -0.10 1.18 -0.57 2.92 1.01 0.36 -4.71 120.40 120.48 2wft s VAL 583 Ca 0.23 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2wft s VAL 583 Cb -0.15 -0.99 0.10 0.00 0.00 0.00 0.00 36.38 35.33 2wft s VAL 583 CO 0.10 0.27 0.67 -0.62 0.00 0.00 0.00 175.10 175.53 2wft s ASP 584 N -0.50 6.19 0.63 3.32 -1.08 -1.26 -1.61 116.67 122.36 2wft s ASP 584 Ca 0.05 -1.39 0.39 0.00 -0.52 0.00 0.00 52.55 51.08 2wft s ASP 584 Cb -0.06 -2.29 2.14 0.00 -1.46 0.00 0.00 42.92 41.24 2wft s ASP 584 CO -0.00 -1.05 2.30 1.55 0.52 0.00 0.00 175.17 178.48 2wft h PRO 585 N 9.13 0.00 0.00 4.34 0.14 -1.94 -1.90 132.00 141.77 2wft h PRO 585 Ca -0.29 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.83 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 1.07 0.01 -0.10 0.87 0.14 0.00 0.00 178.00 180.00 2wft h LYS 586 N 0.00 0.00 -6.15 0.86 1.57 -1.91 -3.45 116.57 107.49 2wft h LYS 586 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2wft h LYS 586 Cb 0.06 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 2wft h LYS 586 CO 0.00 0.10 -0.58 1.03 -0.57 0.00 0.00 179.45 179.43 2wft s ARG 587 N -3.83 2.42 0.97 3.15 1.81 -0.71 -5.13 118.95 117.64 2wft s ARG 587 Ca -0.01 -1.43 -0.11 0.00 -1.72 0.00 0.00 55.73 52.47 2wft s ARG 587 Cb 0.11 -2.23 0.18 0.00 -0.45 0.00 0.00 34.95 32.55 2wft s ARG 587 CO 0.57 0.25 1.10 -2.14 -0.68 0.00 0.00 175.30 174.39 2wft s PRO 588 N -3.78 0.60 0.17 3.54 0.02 -1.26 -4.88 135.00 129.40 2wft s PRO 588 Ca 0.35 1.19 0.09 0.00 0.02 0.00 0.00 61.00 62.65 2wft s PRO 588 Cb -0.05 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.65 2wft s PRO 588 CO 0.22 -2.80 1.34 -0.07 -0.33 0.00 0.00 177.00 175.36 2wft h LEU 589 N -1.97 0.00 -6.21 -5.54 3.38 -1.95 -3.39 115.31 99.64 2wft h LEU 589 Ca -0.50 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2wft h LEU 589 Cb 1.29 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.65 2wft h LEU 589 CO 0.47 0.86 -0.99 0.80 0.09 0.00 0.00 178.44 179.67 2wft n MET 590 N -3.34 0.76 -1.53 1.13 1.56 -1.26 -4.97 117.12 109.46 2wft n MET 590 Ca 0.00 -3.41 -0.39 0.00 -0.27 0.00 0.00 57.70 53.64 2wft n MET 590 Cb 0.88 -1.53 0.04 0.00 2.15 0.00 0.00 33.22 34.76 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 1.89 0.73 -0.26 2.12 -0.02 -1.26 -4.86 135.00 133.34 2wft n PRO 591 Ca 0.25 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2wft n PRO 591 Cb 0.49 -1.88 0.15 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.49 0.09 0.00 -0.52 3.07 -1.99 -0.58 114.58 115.13 2wft h GLU 592 Ca -0.46 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2wft h GLU 592 Cb 1.38 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2wft h GLU 592 CO 0.50 0.06 0.00 -0.85 -1.40 0.00 0.00 179.01 177.31 2wft n GLU 593 N -5.36 0.01 0.00 2.33 0.00 -1.26 -2.90 120.64 113.46 2wft n GLU 593 Ca 0.13 0.45 0.10 0.00 0.00 0.00 0.00 57.16 57.84 2wft n GLU 593 Cb 0.46 -1.54 -0.00 0.00 0.00 0.00 0.00 31.44 30.36 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 -2.23 3.29 -0.11 0.00 0.52 -1.14 -5.00 118.95 114.27 2wft s ARG 595 Ca 0.17 1.89 -0.27 0.00 -0.52 0.00 0.00 55.73 57.00 2wft s ARG 595 Cb 0.16 -2.16 0.06 0.00 0.52 0.00 0.00 34.95 33.53 2wft s ARG 595 CO 0.50 -0.97 0.64 0.00 0.02 0.00 0.00 175.30 175.49 2wft s ALA 596 N -1.52 -1.63 -0.25 2.13 0.00 -1.26 -5.14 121.76 114.10 2wft s ALA 596 Ca 0.71 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 2wft s ALA 596 Cb -0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 2wft s ALA 596 CO 0.37 -0.34 0.17 0.99 0.00 0.00 0.00 175.76 176.94 2wft s THR 597 N -0.73 5.35 0.11 0.00 2.01 -1.26 -5.03 115.64 116.09 2wft s THR 597 Ca -0.08 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.80 2wft s THR 597 Cb -0.02 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 2wft s THR 597 CO 0.07 0.33 1.58 -0.69 -0.69 0.00 0.00 174.62 175.21 2wft s VAL 598 N 1.17 2.95 -0.51 3.82 1.01 -1.26 -4.96 120.40 122.62 2wft s VAL 598 Ca 0.08 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2wft s VAL 598 Cb -0.14 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 33.02 2wft s VAL 598 CO 0.06 0.02 0.31 -1.10 0.00 0.00 0.00 175.10 174.39 2wft s GLN 599 N 1.88 2.25 0.24 2.72 -0.21 -0.65 -5.00 119.66 120.88 2wft s GLN 599 Ca 0.71 -2.16 -0.31 0.00 0.02 0.00 0.00 55.36 53.61 2wft s GLN 599 Cb -0.40 -3.64 -0.13 0.00 1.00 0.00 0.00 33.01 29.84 2wft s GLN 599 CO 0.31 -1.12 1.49 -2.30 -2.12 0.00 0.00 175.29 171.55 2wft n PRO 600 N 4.05 2.24 -1.71 2.91 -0.02 -1.26 -3.13 135.00 138.08 2wft n PRO 600 Ca 0.02 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 2wft n PRO 600 Cb 0.39 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 2wft n PRO 600 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wft n ALA 601 N 2.23 2.16 -2.88 3.55 0.00 -1.26 -4.96 120.51 119.34 2wft n ALA 601 Ca 0.12 0.39 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 2wft n ALA 601 Cb 0.33 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 2wft n ALA 601 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wft s GLN 602 N -0.01 3.23 0.45 0.00 -1.52 -1.26 -4.90 119.66 115.65 2wft s GLN 602 Ca 0.69 -0.66 -0.25 0.00 -1.95 0.00 0.00 55.36 53.19 2wft s GLN 602 Cb -0.55 -2.86 -0.09 0.00 -0.22 0.00 0.00 33.01 29.29 2wft s GLN 602 CO 0.44 0.53 1.30 2.41 -0.25 0.00 0.00 175.29 179.73 2wft n THR 603 N -0.27 2.84 -1.58 -0.19 -1.04 -1.26 -4.70 114.28 108.08 2wft n THR 603 Ca -0.07 -0.50 -0.50 0.00 -2.04 0.00 0.00 64.05 60.93 2wft n THR 603 Cb 0.54 -1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 2wft n THR 603 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wft n LEU 604 N -0.09 1.56 0.00 -4.42 4.77 -1.26 -4.93 117.00 112.63 2wft n LEU 604 Ca 0.07 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2wft n LEU 604 Cb 0.41 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2wft n LEU 604 CO 0.58 -1.19 -0.12 1.07 -1.33 0.00 0.00 177.39 176.39 2wft n THR 605 N 1.98 0.00 -1.25 -5.08 5.66 -1.26 -4.92 114.28 109.41 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 0.22 0.84 0.05 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.99 -1.99 -0.05 1.09 3.41 -1.26 -4.80 113.62 109.04 2wft n SER 606 Ca 0.00 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.09 2wft n SER 606 Cb 0.00 -1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 62.80 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 -0.32 0.27 -0.74 4.33 4.81 -1.96 -2.71 114.58 118.26 2wft h GLU 607 Ca -0.45 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2wft h GLU 607 Cb 1.37 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 2wft h GLU 607 CO 0.41 0.22 0.49 0.00 -0.73 0.00 0.00 179.01 179.40 2wft h SER 609 N 0.93 0.84 0.24 0.00 0.87 -1.83 -1.07 113.55 113.53 2wft h SER 609 Ca 0.29 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2wft h SER 609 Cb 0.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2wft h SER 609 CO -0.08 0.83 -0.31 0.03 -0.53 0.00 0.00 176.83 176.77 2wft h ARG 610 N 0.81 0.12 0.00 2.24 3.08 -1.19 -3.38 114.38 116.06 2wft h ARG 610 Ca 0.18 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 2wft h ARG 610 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2wft h ARG 610 CO -0.00 0.43 -1.66 1.28 -1.07 0.00 0.00 179.97 178.94 2wft n LEU 611 N -4.13 0.50 -4.58 3.04 4.77 -1.12 -4.86 117.00 110.63 2wft n LEU 611 Ca -0.01 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 2wft n LEU 611 Cb 0.38 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2wft n LEU 611 CO 0.39 0.32 1.76 0.00 -1.33 0.00 0.00 177.39 178.53 2wft h ARG 613 N 8.60 0.47 -2.68 0.00 2.47 -1.88 -3.41 114.38 117.95 2wft h ARG 613 Ca 0.34 -0.81 -0.77 0.00 -1.26 0.00 0.00 59.98 57.48 2wft h ARG 613 Cb 0.91 0.30 -0.30 0.00 -1.65 0.00 0.00 29.97 29.23 2wft h ARG 613 CO 1.37 1.39 0.60 0.09 0.56 0.00 0.00 179.97 183.98 2wft n ASN 614 N -3.75 6.19 0.00 7.04 3.02 -1.26 -4.88 115.26 121.63 2wft n ASN 614 Ca -0.19 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 2wft n ASN 614 Cb 1.06 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.95 -0.02 3.08 7.41 0.00 -1.26 -1.08 105.19 114.26 2wft n GLY 615 Ca 0.30 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.01 0.22 1.61 -0.85 -0.89 -4.88 117.35 108.55 2wft s TYR 616 Ca 0.00 0.00 -0.17 0.00 -0.52 0.00 0.00 57.07 56.38 2wft s TYR 616 Cb 0.00 -0.03 -0.08 0.00 0.38 0.00 0.00 41.96 42.24 2wft s TYR 616 CO 0.00 -0.22 0.67 0.00 -1.52 0.00 0.00 175.55 174.48 2wft s THR 618 N -1.60 4.83 0.52 0.00 -4.23 -0.08 -4.95 115.64 110.13 2wft s THR 618 Ca 0.44 -0.19 0.20 0.00 -1.18 0.00 0.00 61.69 60.96 2wft s THR 618 Cb -0.15 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.10 2wft s THR 618 CO 0.20 -0.64 1.59 -0.65 -0.54 0.00 0.00 174.62 174.58 2wft h PRO 619 N 0.46 0.00 0.00 3.99 0.11 -1.84 -0.22 132.00 134.49 2wft h PRO 619 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wft h PRO 619 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wft h PRO 619 CO 0.61 0.00 -0.80 0.25 -0.21 0.00 0.00 178.00 177.85 2wft n THR 620 N -2.61 0.19 0.00 -1.15 -2.24 -1.26 -4.90 114.28 102.30 2wft n THR 620 Ca -0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2wft n THR 620 Cb 0.49 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.39 1.06 3.61 3.38 0.00 -0.09 -5.08 105.19 109.46 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 -0.64 3.88 0.06 1.61 2.36 -1.25 -4.61 119.74 121.15 2wft s LYS 622 Ca 0.00 0.67 -0.30 0.00 -2.55 0.00 0.00 55.97 53.79 2wft s LYS 622 Cb 0.00 -3.79 -0.05 0.00 -1.05 0.00 0.00 37.83 32.94 2wft s LYS 622 CO 0.00 -0.95 1.06 0.00 1.55 0.00 0.00 175.35 177.01 2wft n SER 626 N 0.39 -3.13 -4.71 0.00 7.64 -0.24 -4.87 113.62 108.69 2wft n SER 626 Ca 0.01 -0.50 -0.41 0.00 1.01 0.00 0.00 58.87 58.99 2wft n SER 626 Cb 0.40 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.84 4.48 0.00 1.43 0.02 -1.26 -3.75 135.00 132.08 2wft s PRO 627 Ca 0.38 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.47 2wft s PRO 627 Cb -0.07 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2wft s PRO 627 CO 0.32 0.03 0.00 0.41 -0.33 0.00 0.00 177.00 177.42 2wft n GLY 628 N 3.02 0.76 3.28 0.52 0.00 -1.26 -4.97 105.19 106.54 2wft n GLY 628 Ca 0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 1.37 0.19 1.61 0.52 -1.25 -1.99 118.94 117.40 2wft s TRP 629 Ca 0.00 -0.86 -0.17 0.00 0.02 0.00 0.00 56.10 55.08 2wft s TRP 629 Cb 0.00 -0.75 0.06 0.00 -1.15 0.00 0.00 33.47 31.63 2wft s TRP 629 CO 0.00 -0.01 0.84 -0.85 0.02 0.00 0.00 176.95 176.95 2wft n GLU 630 N -0.29 0.64 0.00 4.98 0.28 -0.36 -4.84 120.64 121.06 2wft n GLU 630 Ca -0.08 -1.39 0.00 0.00 -0.16 0.00 0.00 57.16 55.53 2wft n GLU 630 Cb 0.62 1.85 0.00 0.00 1.43 0.00 0.00 31.44 35.34 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 -0.59 1.90 0.24 -1.84 0.00 -1.26 -1.71 105.19 101.93 2wft n GLY 631 Ca -0.03 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.28 -0.33 1.61 5.19 -2.00 -2.51 116.42 118.10 2wft h ASP 632 Ca 0.00 0.16 -0.17 0.00 -0.62 0.00 0.00 57.03 56.40 2wft h ASP 632 Cb 0.00 0.28 -0.10 0.00 0.18 0.00 0.00 39.33 39.68 2wft h ASP 632 CO 0.00 -0.12 -0.11 0.49 -3.12 0.00 0.00 179.24 176.38 2wft n PHE 633 N -5.29 1.02 -2.00 4.55 3.01 -1.26 -4.49 117.46 113.00 2wft n PHE 633 Ca 0.09 -1.60 -0.17 0.00 1.01 0.00 0.00 57.45 56.78 2wft n PHE 633 Cb 0.36 -0.48 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 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 0.00 0.14 -5.81 0.00 3.08 -1.81 -3.39 114.38 106.58 2wft h ARG 635 Ca -0.38 -0.19 -0.63 0.00 0.07 0.00 0.00 59.98 58.85 2wft h ARG 635 Cb 1.22 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 2wft h ARG 635 CO 0.50 1.01 -0.33 0.95 -1.07 0.00 0.00 179.97 181.03 2wft s THR 636 N -2.94 5.25 0.41 2.04 -4.23 -0.69 -4.94 115.64 110.52 2wft s THR 636 Ca -0.02 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 2wft s THR 636 Cb 0.10 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2wft s THR 636 CO 0.83 0.58 0.73 0.00 -0.54 0.00 0.00 174.62 176.23 2wft s ALA 637 N -0.91 3.42 -0.02 3.99 0.00 -1.26 -1.22 121.76 125.75 2wft s ALA 637 Ca 0.19 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2wft s ALA 637 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 2wft s ALA 637 CO 0.09 -0.07 -0.10 0.15 0.00 0.00 0.00 175.76 175.83 2wft s LYS 638 N -4.07 2.54 -0.16 0.00 1.02 -0.84 -4.88 119.74 113.35 2wft s LYS 638 Ca 0.49 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.73 2wft s LYS 638 Cb -0.10 -2.46 0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2wft s LYS 638 CO 0.35 0.62 0.09 0.00 -0.92 0.00 0.00 175.35 175.49 2wft s GLU 640 N 2.15 2.06 0.79 0.00 2.56 -1.26 -3.14 118.70 121.87 2wft s GLU 640 Ca 0.02 -1.54 -0.07 0.00 0.00 0.00 0.00 54.97 53.38 2wft s GLU 640 Cb -0.16 -3.19 0.13 0.00 2.00 0.00 0.00 34.13 32.92 2wft s GLU 640 CO -0.08 -0.77 1.10 -1.25 -0.56 0.00 0.00 175.26 173.70 2wft s PRO 641 N 1.10 1.48 0.88 4.30 0.05 -1.26 -4.99 135.00 136.57 2wft s PRO 641 Ca 0.00 -0.67 -0.12 0.00 0.05 0.00 0.00 61.00 60.27 2wft s PRO 641 Cb -0.20 -2.14 0.12 0.00 0.05 0.00 0.00 34.50 32.33 2wft s PRO 641 CO -0.04 -1.70 1.10 0.00 0.05 0.00 0.00 177.00 176.40 2wft s ALA 642 N -3.41 1.65 0.13 8.56 0.00 -1.19 -4.93 121.76 122.58 2wft s ALA 642 Ca 0.67 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 2wft s ALA 642 Cb -0.06 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2wft s ALA 642 CO 0.47 -2.26 0.46 0.00 0.00 0.00 0.00 175.76 174.43 2wft s ARG 644 N -2.13 1.50 -1.29 0.00 0.52 -0.62 -4.68 118.95 112.25 2wft s ARG 644 Ca 0.37 -1.80 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 2wft s ARG 644 Cb -0.14 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.70 2wft s ARG 644 CO 0.19 -0.19 0.57 0.72 0.02 0.00 0.00 175.30 176.62 2wft n HIS 645 N -0.55 -1.69 -1.04 -0.53 8.25 -1.26 -0.37 115.22 118.02 2wft n HIS 645 Ca -0.02 0.54 -0.01 0.00 -0.26 0.00 0.00 57.72 57.96 2wft n HIS 645 Cb 0.66 -3.46 -0.01 0.00 1.12 0.00 0.00 29.99 28.30 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 -1.91 0.43 3.01 -1.41 0.00 -1.26 -4.07 105.19 99.98 2wft n GLY 646 Ca -0.20 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.63 -3.43 3.43 -0.02 0.00 0.50 -4.50 105.19 99.54 2wft n GLY 647 Ca -0.01 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.04 -0.91 -0.76 1.61 1.01 -0.39 -4.77 120.40 114.16 2wft s VAL 648 Ca 0.56 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 2wft s VAL 648 Cb -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2wft s VAL 648 CO 0.47 0.01 1.59 0.00 0.00 0.00 0.00 175.10 177.17 2wft h VAL 650 N 6.59 1.41 -4.20 0.00 2.07 -1.73 -3.39 116.25 117.00 2wft h VAL 650 Ca -0.16 -2.34 -0.21 0.00 0.82 0.00 0.00 66.70 64.82 2wft h VAL 650 Cb 1.08 2.96 -0.15 0.00 -1.52 0.00 0.00 31.29 33.66 2wft h VAL 650 CO 1.27 0.57 -0.66 -0.13 0.02 0.00 0.00 177.57 178.64 2wft s ARG 651 N -2.33 0.93 -0.17 1.57 0.52 -1.22 -4.72 118.95 113.53 2wft s ARG 651 Ca -0.21 -1.43 -0.40 0.00 -0.52 0.00 0.00 55.73 53.17 2wft s ARG 651 Cb 0.01 0.09 -0.17 0.00 0.52 0.00 0.00 34.95 35.40 2wft s ARG 651 CO 0.70 -0.20 1.57 -2.30 0.02 0.00 0.00 175.30 175.09 2wft n PRO 652 N -0.11 0.96 -3.96 3.54 -0.02 -1.26 -0.36 135.00 133.80 2wft n PRO 652 Ca -0.07 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 2wft n PRO 652 Cb 0.63 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.13 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 4.14 -4.34 -3.70 2.55 4.13 0.19 -4.97 115.26 113.26 2wft n ASN 653 Ca 0.24 -0.81 -0.23 0.00 1.68 0.00 0.00 54.58 55.46 2wft n ASN 653 Cb 0.12 -3.49 -0.18 0.00 -1.54 0.00 0.00 39.78 34.70 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 -6.66 0.24 -0.10 3.52 2.47 0.51 -5.07 119.74 114.65 2wft s LYS 654 Ca 0.67 0.14 -0.05 0.00 -1.56 0.00 0.00 55.97 55.17 2wft s LYS 654 Cb -0.35 -1.04 -0.04 0.00 -1.46 0.00 0.00 37.83 34.95 2wft s LYS 654 CO 0.83 -0.41 0.07 0.00 0.16 0.00 0.00 175.35 176.00 2wft s LEU 656 N -0.93 4.07 0.05 0.00 2.96 -0.62 -4.91 118.68 119.29 2wft s LEU 656 Ca 0.14 0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2wft s LEU 656 Cb -0.12 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2wft s LEU 656 CO 0.03 -0.33 0.20 0.00 -1.32 0.00 0.00 176.35 174.93 2wft s LYS 658 N -2.39 0.74 -0.11 0.00 -0.14 -1.26 -4.91 119.74 111.68 2wft s LYS 658 Ca 0.33 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.71 2wft s LYS 658 Cb -0.13 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.16 2wft s LYS 658 CO 0.26 -2.42 1.68 0.21 -0.76 0.00 0.00 175.35 174.32 2wft s LYS 659 N -5.47 4.02 0.00 1.68 2.20 -1.26 -3.58 119.74 117.32 2wft s LYS 659 Ca 0.67 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 2wft s LYS 659 Cb -0.11 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2wft s LYS 659 CO 0.53 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2wft n GLY 660 N 4.38 2.12 3.77 5.54 0.00 -1.26 -5.08 105.19 114.67 2wft n GLY 660 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.99 3.08 0.17 1.61 2.02 -1.24 0.09 117.35 121.10 2wft s TYR 661 Ca 0.00 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 2wft s TYR 661 Cb 0.00 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2wft s TYR 661 CO 0.00 0.52 0.03 -0.51 -1.57 0.00 0.00 175.55 174.02 2wft s LEU 662 N -3.16 1.97 0.00 -1.29 1.02 0.65 -4.76 118.68 113.11 2wft s LEU 662 Ca 0.30 -1.20 0.00 0.00 0.02 0.00 0.00 54.13 53.25 2wft s LEU 662 Cb -0.10 0.05 0.00 0.00 0.02 0.00 0.00 46.19 46.16 2wft s LEU 662 CO 0.23 -0.63 0.00 0.61 0.02 0.00 0.00 176.35 176.58 2wft n GLY 663 N -0.23 2.27 0.28 -3.19 0.00 -1.26 -1.11 105.19 101.96 2wft n GLY 663 Ca -0.06 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 1.20 -0.07 -0.12 1.61 -0.02 -1.26 -0.99 135.00 135.35 2wft n PRO 664 Ca 0.00 1.23 0.04 0.00 -2.02 0.00 0.00 63.50 62.75 2wft n PRO 664 Cb 0.00 -1.88 0.11 0.00 -0.02 0.00 0.00 33.50 31.71 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 -5.24 2.88 -1.15 -0.52 3.00 -1.26 -4.15 117.38 110.94 2wft n GLN 665 Ca 0.15 -1.88 -0.05 0.00 -0.01 0.00 0.00 57.00 55.21 2wft n GLN 665 Cb 0.48 -1.19 -0.02 0.00 0.00 0.00 0.00 30.24 29.51 2wft n GLN 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wft h GLU 667 N 0.20 0.00 -5.79 0.00 9.09 -1.68 -3.36 114.58 113.04 2wft h GLU 667 Ca -0.11 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.66 2wft h GLU 667 Cb 0.46 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.51 2wft h GLU 667 CO 0.16 0.07 -0.49 -0.65 0.05 0.00 0.00 179.01 178.15 2wft s GLN 668 N -3.63 3.43 -0.08 1.06 1.11 -0.27 -4.93 119.66 116.35 2wft s GLN 668 Ca 0.01 -0.29 -0.04 0.00 0.01 0.00 0.00 55.36 55.05 2wft s GLN 668 Cb 0.09 -3.10 -0.04 0.00 -1.01 0.00 0.00 33.01 28.95 2wft s GLN 668 CO 0.58 0.69 0.08 0.08 0.01 0.00 0.00 175.29 176.74 2wft s VAL 669 N -1.27 4.93 0.17 1.09 1.01 -1.26 -0.25 120.40 124.82 2wft s VAL 669 Ca 0.25 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 2wft s VAL 669 Cb -0.12 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2wft s VAL 669 CO 0.16 0.54 1.49 -0.62 0.00 0.00 0.00 175.10 176.67 2wft s ASP 670 N -1.17 6.67 0.00 3.32 2.15 0.11 -4.90 116.67 122.85 2wft s ASP 670 Ca 0.17 2.54 0.00 0.00 0.43 0.00 0.00 52.55 55.69 2wft s ASP 670 Cb -0.12 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2wft s ASP 670 CO 0.06 -0.74 0.00 0.54 -0.17 0.00 0.00 175.17 174.86