#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkd s GLY 192 N 0.00 1.49 0.04 0.62 0.00 -1.26 -2.44 107.32 105.77 1dkd s GLY 192 Ca 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 1dkd s GLY 192 CO 0.00 -1.61 -0.01 -0.29 0.00 0.00 0.00 173.10 171.19 1dkd s MET 193 N -3.92 0.52 -0.13 2.90 0.00 -0.53 -5.00 119.30 113.14 1dkd s MET 193 Ca 0.29 -0.97 -0.07 0.00 0.00 0.00 0.00 55.69 54.93 1dkd s MET 193 Cb 0.06 0.18 0.05 0.00 0.00 0.00 0.00 34.83 35.13 1dkd s MET 193 CO 0.08 -0.10 0.32 -1.14 0.00 0.00 0.00 175.02 174.19 1dkd s GLN 194 N -3.00 0.30 0.07 4.11 0.74 -1.26 -0.03 119.66 120.59 1dkd s GLN 194 Ca -0.02 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.04 1dkd s GLN 194 Cb 0.01 -0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1dkd s GLN 194 CO -0.07 -0.15 -0.04 -0.59 -0.55 0.00 0.00 175.29 173.89 1dkd s PHE 195 N 1.26 0.69 -1.39 1.67 -0.71 -0.86 -5.01 117.98 113.62 1dkd s PHE 195 Ca -0.09 -1.02 -0.09 0.00 -1.04 0.00 0.00 56.93 54.69 1dkd s PHE 195 Cb -0.09 -0.45 -0.10 0.00 -1.21 0.00 0.00 43.02 41.17 1dkd s PHE 195 CO -0.10 -0.30 3.01 -0.25 -1.34 0.00 0.00 175.22 176.25 1dkd n ASP 196 N 0.04 8.28 -3.89 1.98 8.00 -1.26 -1.96 116.55 127.74 1dkd n ASP 196 Ca -0.13 -2.60 -0.24 0.00 0.71 0.00 0.00 54.79 52.53 1dkd n ASP 196 Cb 0.61 -1.53 -0.17 0.00 -0.02 0.00 0.00 41.12 40.02 1dkd n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1dkd s ARG 197 N 1.77 1.19 0.13 -1.24 1.81 -0.82 -4.84 118.95 116.95 1dkd s ARG 197 Ca 0.68 -0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.55 1dkd s ARG 197 Cb 0.20 -1.26 0.02 0.00 -0.45 0.00 0.00 34.95 33.46 1dkd s ARG 197 CO -0.06 -0.20 0.18 0.41 -0.68 0.00 0.00 175.30 174.95 1dkd n GLY 198 N 4.66 1.44 3.77 -3.53 0.00 -1.18 -2.30 105.19 108.05 1dkd n GLY 198 Ca -0.15 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1dkd n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dkd s TYR 199 N -0.02 2.89 -0.72 1.61 -0.85 -0.86 -4.48 117.35 114.91 1dkd s TYR 199 Ca 0.13 1.51 0.26 0.00 -0.52 0.00 0.00 57.07 58.45 1dkd s TYR 199 Cb -0.01 -3.45 0.89 0.00 0.38 0.00 0.00 41.96 39.77 1dkd s TYR 199 CO 0.08 -1.62 1.77 1.28 -1.52 0.00 0.00 175.55 175.54 1dkd n LEU 200 N -0.26 0.66 -3.68 -3.49 4.77 -0.53 -4.75 117.00 109.72 1dkd n LEU 200 Ca 0.06 0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1dkd n LEU 200 Cb 0.47 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1dkd n LEU 200 CO 0.50 -0.24 0.18 -0.55 -1.33 0.00 0.00 177.39 175.95 1dkd s SER 201 N -4.24 -0.63 0.44 -1.43 0.15 -1.26 -5.02 113.70 101.70 1dkd s SER 201 Ca 0.10 1.10 0.30 0.00 0.70 0.00 0.00 55.95 58.15 1dkd s SER 201 Cb 0.12 1.03 1.48 0.00 -1.71 0.00 0.00 66.02 66.95 1dkd s SER 201 CO 0.54 -0.20 1.91 1.55 1.20 0.00 0.00 173.24 178.24 1dkd h PRO 202 N 6.44 0.00 0.00 5.44 0.13 -2.01 -2.14 132.00 139.86 1dkd h PRO 202 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1dkd h PRO 202 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dkd h PRO 202 CO 0.22 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.65 1dkd n TYR 203 N -2.62 0.00 0.46 1.56 4.01 -1.26 -1.92 117.16 117.39 1dkd n TYR 203 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1dkd n TYR 203 Cb 0.14 -0.19 0.24 0.00 -0.31 0.00 0.00 39.34 39.22 1dkd n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1dkd h PHE 204 N 0.00 0.00 -2.41 -0.72 0.04 -1.71 -3.47 116.94 108.67 1dkd h PHE 204 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1dkd h PHE 204 Cb 0.12 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.34 1dkd h PHE 204 CO 0.00 0.00 0.80 -0.89 -0.60 0.00 0.00 178.31 177.62 1dkd n ILE 205 N -2.45 0.16 -0.75 -0.55 5.41 -0.81 -4.75 119.36 115.62 1dkd n ILE 205 Ca 0.04 -0.04 0.03 0.00 1.00 0.00 0.00 62.75 63.78 1dkd n ILE 205 Cb 0.47 -1.60 0.04 0.00 -0.71 0.00 0.00 39.64 37.84 1dkd n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1dkd n ASN 206 N 3.27 1.42 -3.31 4.38 6.94 -0.84 -4.79 115.26 122.34 1dkd n ASN 206 Ca 0.16 -2.09 -0.25 0.00 -0.02 0.00 0.00 54.58 52.37 1dkd n ASN 206 Cb 0.30 -0.14 -0.08 0.00 -2.36 0.00 0.00 39.78 37.50 1dkd n ASN 206 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1dkd n LYS 207 N -0.58 0.70 -0.28 -3.83 4.76 -0.88 -4.92 118.16 113.12 1dkd n LYS 207 Ca 0.04 -3.36 0.10 0.00 -2.87 0.00 0.00 58.31 52.23 1dkd n LYS 207 Cb 0.46 -1.49 0.26 0.00 -1.84 0.00 0.00 35.03 32.42 1dkd n LYS 207 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1dkd h PRO 208 N 4.64 0.32 -0.47 1.97 0.11 -1.87 0.24 132.00 136.95 1dkd h PRO 208 Ca 0.15 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.34 1dkd h PRO 208 Cb 0.87 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 31.81 1dkd h PRO 208 CO 0.47 0.21 -0.18 1.05 -0.21 0.00 0.00 178.00 179.33 1dkd h GLU 209 N 0.33 -0.08 -0.00 1.05 9.09 -1.96 -2.61 114.58 120.39 1dkd h GLU 209 Ca 0.50 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1dkd h GLU 209 Cb 0.93 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1dkd h GLU 209 CO -0.54 -0.05 -0.75 0.25 0.05 0.00 0.00 179.01 177.96 1dkd n THR 210 N -5.38 0.00 -3.06 -1.06 -2.24 -0.84 -4.98 114.28 96.71 1dkd n THR 210 Ca 0.04 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1dkd n THR 210 Cb 0.29 0.94 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1dkd n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkd n GLY 211 N 1.47 0.12 3.34 3.38 0.00 0.79 -5.03 105.19 109.25 1dkd n GLY 211 Ca 0.06 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1dkd n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkd s ALA 212 N -3.18 1.85 -0.15 4.61 0.00 -1.04 -4.54 121.76 119.31 1dkd s ALA 212 Ca 0.28 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1dkd s ALA 212 Cb -0.12 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1dkd s ALA 212 CO 0.40 -0.27 -0.05 0.08 0.00 0.00 0.00 175.76 175.92 1dkd s VAL 213 N -3.43 3.76 -0.10 0.00 1.01 0.11 -1.98 120.40 119.76 1dkd s VAL 213 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1dkd s VAL 213 Cb 0.06 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1dkd s VAL 213 CO 0.09 0.49 -0.08 -1.61 0.00 0.00 0.00 175.10 174.00 1dkd s GLU 214 N 0.41 1.52 -0.09 2.72 2.02 -1.26 -1.01 118.70 123.01 1dkd s GLU 214 Ca -0.05 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.70 1dkd s GLU 214 Cb -0.14 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.57 1dkd s GLU 214 CO 0.03 -0.20 -0.21 -0.51 0.02 0.00 0.00 175.26 174.39 1dkd s LEU 215 N 1.48 1.96 -0.19 1.80 1.43 -0.51 -4.96 118.68 119.69 1dkd s LEU 215 Ca 0.01 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1dkd s LEU 215 Cb -0.13 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1dkd s LEU 215 CO -0.06 0.13 0.11 -1.61 0.23 0.00 0.00 176.35 175.16 1dkd s GLU 216 N 0.39 4.08 -1.34 1.70 0.41 -1.26 -1.76 118.70 120.92 1dkd s GLU 216 Ca -0.16 -0.24 -0.11 0.00 -0.41 0.00 0.00 54.97 54.05 1dkd s GLU 216 Cb -0.17 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1dkd s GLU 216 CO 0.07 0.33 0.46 0.43 -0.49 0.00 0.00 175.26 176.07 1dkd n SER 217 N 3.40 -1.79 -4.91 -0.19 7.64 -0.62 -4.53 113.62 112.62 1dkd n SER 217 Ca -0.16 -1.11 -0.27 0.00 1.01 0.00 0.00 58.87 58.33 1dkd n SER 217 Cb 0.52 -2.61 0.01 0.00 -1.01 0.00 0.00 64.21 61.13 1dkd n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1dkd s PRO 218 N -6.74 3.30 0.30 1.43 0.04 -1.23 -4.39 135.00 127.71 1dkd s PRO 218 Ca 0.19 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 1dkd s PRO 218 Cb -0.08 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1dkd s PRO 218 CO 0.92 -0.39 0.54 -0.06 0.04 0.00 0.00 177.00 178.05 1dkd s PHE 219 N -2.83 3.49 -0.10 0.56 0.08 -0.11 -3.38 117.98 115.68 1dkd s PHE 219 Ca 0.50 0.51 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1dkd s PHE 219 Cb -0.10 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1dkd s PHE 219 CO 0.45 0.17 -0.08 0.42 -0.10 0.00 0.00 175.22 176.08 1dkd s ILE 220 N -2.15 0.98 -0.24 0.64 1.01 0.19 -1.16 121.20 120.47 1dkd s ILE 220 Ca 0.42 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 1dkd s ILE 220 Cb -0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1dkd s ILE 220 CO 0.32 0.35 0.15 -0.22 0.00 0.00 0.00 174.94 175.54 1dkd s LEU 221 N 1.49 4.05 -0.24 2.97 2.96 0.51 -0.58 118.68 129.83 1dkd s LEU 221 Ca 0.00 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1dkd s LEU 221 Cb -0.13 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1dkd s LEU 221 CO -0.05 0.06 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.25 1dkd s LEU 222 N 1.08 3.07 -0.00 -0.68 1.43 -1.26 -0.18 118.68 122.13 1dkd s LEU 222 Ca 0.07 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1dkd s LEU 222 Cb -0.14 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1dkd s LEU 222 CO 0.05 -0.07 -0.07 0.00 0.23 0.00 0.00 176.35 176.49 1dkd s ALA 223 N 1.45 0.56 -0.38 4.21 0.00 -0.38 -0.82 121.76 126.39 1dkd s ALA 223 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1dkd s ALA 223 Cb -0.15 -0.14 0.53 0.00 0.00 0.00 0.00 23.12 23.36 1dkd s ALA 223 CO -0.03 0.14 1.54 -0.40 0.00 0.00 0.00 175.76 177.01 1dkd n ASP 224 N 2.90 3.94 -4.22 0.00 5.75 -1.06 -3.50 116.55 120.35 1dkd n ASP 224 Ca -0.13 -2.94 -0.18 0.00 -0.01 0.00 0.00 54.79 51.54 1dkd n ASP 224 Cb 0.58 -0.69 -0.10 0.00 -1.03 0.00 0.00 41.12 39.87 1dkd n ASP 224 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1dkd s LYS 225 N -2.32 1.49 -0.06 0.11 -2.85 -1.26 -4.75 119.74 110.09 1dkd s LYS 225 Ca 0.40 -1.82 -0.18 0.00 -1.00 0.00 0.00 55.97 53.37 1dkd s LYS 225 Cb 0.32 -0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.81 1dkd s LYS 225 CO 0.09 -0.35 0.50 0.21 0.10 0.00 0.00 175.35 175.91 1dkd s LYS 226 N -3.96 4.26 -0.32 1.78 2.20 -1.26 -1.56 119.74 120.88 1dkd s LYS 226 Ca 0.37 0.53 -0.10 0.00 -0.36 0.00 0.00 55.97 56.41 1dkd s LYS 226 Cb 0.07 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1dkd s LYS 226 CO 0.15 0.31 0.16 0.42 -0.36 0.00 0.00 175.35 176.03 1dkd s ILE 227 N 0.10 4.63 0.00 5.43 1.01 -0.06 -4.90 121.20 127.41 1dkd s ILE 227 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1dkd s ILE 227 Cb -0.16 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1dkd s ILE 227 CO 0.13 0.04 0.00 -1.54 0.00 0.00 0.00 174.94 173.57 1dkd n SER 228 N 4.99 4.98 -4.38 3.58 3.41 -1.26 -2.02 113.62 122.92 1dkd n SER 228 Ca -0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.10 1dkd n SER 228 Cb 0.49 0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 64.98 1dkd n SER 228 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1dkd s ASN 229 N -2.65 5.14 0.63 4.04 3.04 -1.26 -3.21 114.94 120.67 1dkd s ASN 229 Ca 0.00 -0.54 0.41 0.00 0.04 0.00 0.00 52.86 52.77 1dkd s ASN 229 Cb 0.00 -1.90 2.12 0.00 -1.54 0.00 0.00 41.25 39.93 1dkd s ASN 229 CO 0.00 -0.14 2.26 -0.29 -3.04 0.00 0.00 177.10 175.88 1dkd h ILE 230 N 5.75 0.00 -0.53 -5.21 -0.00 -1.91 -3.19 117.51 112.42 1dkd h ILE 230 Ca -0.34 -0.14 0.08 0.00 -0.00 0.00 0.00 64.86 64.46 1dkd h ILE 230 Cb 1.14 1.13 -0.06 0.00 -0.00 0.00 0.00 36.82 39.03 1dkd h ILE 230 CO 0.60 0.00 0.18 0.03 -0.00 0.00 0.00 178.15 178.96 1dkd h ARG 231 N 0.00 0.34 0.00 2.19 -0.00 -2.01 -1.42 114.38 113.47 1dkd h ARG 231 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1dkd h ARG 231 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1dkd h ARG 231 CO 0.00 0.22 0.00 -0.85 0.00 0.00 0.00 179.97 179.34 1dkd n GLU 232 N -5.02 0.10 0.03 0.04 0.28 -1.20 -2.21 120.64 112.65 1dkd n GLU 232 Ca 0.06 0.39 0.11 0.00 -0.16 0.00 0.00 57.16 57.56 1dkd n GLU 232 Cb 0.23 -1.71 0.01 0.00 1.43 0.00 0.00 31.44 31.41 1dkd n GLU 232 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1dkd n MET 233 N -1.90 0.29 -0.22 3.44 2.81 -0.56 -3.06 117.12 117.92 1dkd n MET 233 Ca 0.02 -0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.89 1dkd n MET 233 Cb 0.17 -1.59 0.10 0.00 -0.71 0.00 0.00 33.22 31.18 1dkd n MET 233 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dkd h LEU 234 N 0.00 0.51 -0.40 4.03 3.38 -1.18 -0.58 115.31 121.07 1dkd h LEU 234 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dkd h LEU 234 Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1dkd h LEU 234 CO 0.00 0.32 0.26 -0.65 0.09 0.00 0.00 178.44 178.46 1dkd h PRO 235 N 0.64 0.54 -0.55 1.13 0.11 -1.80 -1.33 132.00 130.74 1dkd h PRO 235 Ca 0.30 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 1dkd h PRO 235 Cb 0.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1dkd h PRO 235 CO -0.19 0.37 -0.10 0.28 -0.21 0.00 0.00 178.00 178.15 1dkd h VAL 236 N 0.54 1.27 -0.75 3.15 2.07 -1.75 -2.62 116.25 118.16 1dkd h VAL 236 Ca 0.15 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1dkd h VAL 236 Cb -0.04 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1dkd h VAL 236 CO -0.03 0.44 0.24 -0.07 0.02 0.00 0.00 177.57 178.18 1dkd h LEU 237 N 0.91 1.09 -0.07 2.57 3.38 -0.92 -1.25 115.31 121.01 1dkd h LEU 237 Ca 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1dkd h LEU 237 Cb 0.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1dkd h LEU 237 CO 0.05 1.00 0.00 -0.08 0.09 0.00 0.00 178.44 179.50 1dkd h GLU 238 N 1.12 0.13 -0.92 1.13 4.81 -1.19 0.24 114.58 119.91 1dkd h GLU 238 Ca 0.24 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1dkd h GLU 238 Cb 0.30 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1dkd h GLU 238 CO -0.01 0.40 0.60 0.00 -0.73 0.00 0.00 179.01 179.26 1dkd h ALA 239 N 0.73 1.19 -0.30 2.92 0.00 -1.39 0.14 119.26 122.56 1dkd h ALA 239 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1dkd h ALA 239 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dkd h ALA 239 CO 0.00 0.50 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 1dkd h VAL 240 N 1.19 1.29 -0.14 0.00 2.07 -1.10 -1.20 116.25 118.35 1dkd h VAL 240 Ca 0.35 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1dkd h VAL 240 Cb -0.05 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1dkd h VAL 240 CO -0.10 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1dkd h ALA 241 N 0.77 0.13 -0.28 1.67 0.00 -0.52 -2.18 119.26 118.85 1dkd h ALA 241 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dkd h ALA 241 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1dkd h ALA 241 CO 0.04 -0.44 0.19 1.57 0.00 0.00 0.00 179.25 180.60 1dkd h LYS 242 N 0.05 0.34 0.00 0.00 2.10 -0.61 0.01 116.57 118.46 1dkd h LYS 242 Ca 0.07 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1dkd h LYS 242 Cb 0.08 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dkd h LYS 242 CO -0.11 0.22 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 1dkd n ALA 243 N -2.50 2.32 -2.58 0.07 0.00 -0.47 -4.91 120.51 112.44 1dkd n ALA 243 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1dkd n ALA 243 Cb 0.10 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1dkd n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dkd n GLY 244 N 0.95 -0.23 3.30 0.00 0.00 -0.01 -5.03 105.19 104.16 1dkd n GLY 244 Ca 0.12 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1dkd n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkd s LYS 245 N -5.10 1.16 0.81 1.61 1.02 -1.16 -5.07 119.74 113.00 1dkd s LYS 245 Ca 0.12 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 1dkd s LYS 245 Cb -0.05 -1.37 0.08 0.00 -0.52 0.00 0.00 37.83 35.97 1dkd s LYS 245 CO 0.15 0.31 1.10 -2.14 -0.92 0.00 0.00 175.35 173.84 1dkd s PRO 246 N -2.15 1.98 -0.04 -1.68 0.02 -1.26 -4.56 135.00 127.31 1dkd s PRO 246 Ca 0.09 0.67 0.01 0.00 0.02 0.00 0.00 61.00 61.79 1dkd s PRO 246 Cb -0.09 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.55 1dkd s PRO 246 CO 0.05 -1.70 -0.07 -1.17 -0.33 0.00 0.00 177.00 173.78 1dkd s LEU 247 N -5.84 1.47 -0.18 -5.54 2.96 -0.43 -0.94 118.68 110.18 1dkd s LEU 247 Ca 0.61 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1dkd s LEU 247 Cb -0.15 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 1dkd s LEU 247 CO 0.55 -0.02 0.01 -0.22 -1.32 0.00 0.00 176.35 175.35 1dkd s LEU 248 N 0.75 3.49 -0.20 -0.68 2.96 -0.30 -1.73 118.68 122.96 1dkd s LEU 248 Ca -0.11 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1dkd s LEU 248 Cb -0.14 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1dkd s LEU 248 CO 0.01 0.14 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.53 1dkd s ILE 249 N 0.54 3.67 -0.22 6.68 1.01 0.04 -0.36 121.20 132.56 1dkd s ILE 249 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1dkd s ILE 249 Cb -0.14 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1dkd s ILE 249 CO 0.02 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 174.67 1dkd s ILE 250 N 1.15 2.91 0.32 2.92 -1.09 0.74 -1.11 121.20 127.05 1dkd s ILE 250 Ca 0.02 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1dkd s ILE 250 Cb -0.15 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1dkd s ILE 250 CO 0.00 0.40 0.44 0.00 -1.23 0.00 0.00 174.94 174.55 1dkd s ALA 251 N 1.39 0.74 0.25 9.38 0.00 -1.05 -1.25 121.76 131.23 1dkd s ALA 251 Ca 0.04 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1dkd s ALA 251 Cb -0.14 1.18 0.27 0.00 0.00 0.00 0.00 23.12 24.42 1dkd s ALA 251 CO -0.06 -0.78 1.93 1.49 0.00 0.00 0.00 175.76 178.34 1dkd h GLU 252 N 2.16 1.32 -1.20 0.00 4.57 -1.32 -0.43 114.58 119.69 1dkd h GLU 252 Ca -0.28 -0.08 0.35 0.00 -1.18 0.00 0.00 59.36 58.16 1dkd h GLU 252 Cb 1.24 -0.30 -0.15 0.00 -0.16 0.00 0.00 28.75 29.38 1dkd h GLU 252 CO 0.39 0.88 0.92 0.34 -1.18 0.00 0.00 179.01 180.36 1dkd s ASP 253 N -6.11 -0.04 -0.09 1.04 2.15 -1.24 -4.61 116.67 107.77 1dkd s ASP 253 Ca -0.13 -0.04 -0.04 0.00 0.43 0.00 0.00 52.55 52.77 1dkd s ASP 253 Cb 0.18 0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.91 1dkd s ASP 253 CO 0.82 -0.12 0.20 -0.69 -0.17 0.00 0.00 175.17 175.20 1dkd s VAL 254 N -2.19 -0.09 0.00 1.11 1.01 -1.26 -0.88 120.40 118.11 1dkd s VAL 254 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1dkd s VAL 254 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1dkd s VAL 254 CO -0.05 0.08 0.00 -1.84 0.00 0.00 0.00 175.10 173.29 1dkd n GLU 255 N 4.38 0.00 0.00 2.72 0.00 -0.86 -4.77 120.64 122.12 1dkd n GLU 255 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.93 1dkd n GLU 255 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 1dkd n GLU 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1dkd n GLY 256 N 0.00 3.02 0.17 -1.84 0.00 -1.26 -2.06 105.19 103.21 1dkd n GLY 256 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1dkd n GLY 256 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dkd h GLU 257 N 0.00 0.00 -0.45 1.61 4.39 -1.96 -2.73 114.58 115.43 1dkd h GLU 257 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1dkd h GLU 257 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1dkd h GLU 257 CO 0.00 0.48 0.27 0.00 -1.16 0.00 0.00 179.01 178.60 1dkd h ALA 258 N 1.52 0.58 -0.38 3.43 0.00 -1.38 0.32 119.26 123.34 1dkd h ALA 258 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1dkd h ALA 258 Cb 0.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1dkd h ALA 258 CO 0.06 -0.05 -0.14 1.25 0.00 0.00 0.00 179.25 180.37 1dkd h LEU 259 N 0.54 0.79 -0.27 0.00 5.85 -1.30 -2.70 115.31 118.22 1dkd h LEU 259 Ca 0.18 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1dkd h LEU 259 Cb 0.01 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1dkd h LEU 259 CO -0.08 1.00 0.14 0.00 -0.34 0.00 0.00 178.44 179.16 1dkd h ALA 260 N 0.82 0.35 -0.10 1.25 0.00 -1.12 -2.44 119.26 118.01 1dkd h ALA 260 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1dkd h ALA 260 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dkd h ALA 260 CO 0.05 -0.12 -0.25 1.79 0.00 0.00 0.00 179.25 180.72 1dkd h THR 261 N 0.32 1.23 -0.27 0.00 1.35 -0.39 -1.24 112.91 113.91 1dkd h THR 261 Ca 0.09 -1.06 -0.06 0.00 -0.55 0.00 0.00 66.41 64.83 1dkd h THR 261 Cb 0.08 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1dkd h THR 261 CO -0.01 0.32 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.42 1dkd h LEU 262 N 0.16 0.54 -0.29 3.87 3.38 -1.24 -1.26 115.31 120.46 1dkd h LEU 262 Ca 0.03 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 1dkd h LEU 262 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1dkd h LEU 262 CO 0.04 0.80 -0.36 0.58 0.09 0.00 0.00 178.44 179.59 1dkd h VAL 263 N 0.27 1.30 -0.39 1.22 2.07 -1.34 -2.12 116.25 117.26 1dkd h VAL 263 Ca 0.06 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1dkd h VAL 263 Cb 0.57 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1dkd h VAL 263 CO 0.03 0.50 0.14 0.58 0.02 0.00 0.00 177.57 178.84 1dkd h VAL 264 N 0.52 1.20 0.00 2.57 2.07 -1.22 -0.85 116.25 120.54 1dkd h VAL 264 Ca 0.04 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1dkd h VAL 264 Cb 0.94 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1dkd h VAL 264 CO 0.09 0.23 0.00 0.78 0.02 0.00 0.00 177.57 178.69 1dkd h ASN 265 N 0.49 0.00 0.13 0.57 2.35 -1.26 -0.95 115.58 116.91 1dkd h ASN 265 Ca 0.13 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 1dkd h ASN 265 Cb 0.22 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.62 1dkd h ASN 265 CO -0.01 0.00 -0.98 0.74 -1.65 0.00 0.00 177.43 175.53 1dkd h THR 266 N 0.00 1.41 -0.77 2.81 2.02 -1.10 -1.01 112.91 116.27 1dkd h THR 266 Ca 0.00 -2.47 -0.01 0.00 0.77 0.00 0.00 66.41 64.70 1dkd h THR 266 Cb 0.67 2.97 -0.04 0.00 -1.74 0.00 0.00 68.15 70.02 1dkd h THR 266 CO 0.00 0.72 0.44 -0.03 0.37 0.00 0.00 175.52 177.02 1dkd h MET 267 N -0.10 1.06 0.00 6.66 1.85 -0.95 -0.72 114.93 122.73 1dkd h MET 267 Ca -0.16 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1dkd h MET 267 Cb 1.74 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 33.55 1dkd h MET 267 CO 0.19 0.76 0.00 0.54 -0.40 0.00 0.00 176.91 178.00 1dkd n ARG 268 N -4.37 0.43 -1.22 0.39 1.74 -0.38 -4.91 116.66 108.33 1dkd n ARG 268 Ca 0.08 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.12 1dkd n ARG 268 Cb 0.08 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1dkd n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dkd n GLY 269 N 0.95 0.96 0.08 -0.13 0.00 -0.28 -4.89 105.19 101.89 1dkd n GLY 269 Ca 0.13 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1dkd n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dkd h ILE 270 N 0.00 1.31 -4.48 -0.61 1.08 -1.44 -3.48 117.51 109.90 1dkd h ILE 270 Ca -0.16 -3.04 -0.33 0.00 -0.39 0.00 0.00 64.86 60.94 1dkd h ILE 270 Cb 0.50 2.70 -0.11 0.00 -3.07 0.00 0.00 36.82 36.83 1dkd h ILE 270 CO 0.23 0.79 -0.38 0.68 -0.69 0.00 0.00 178.15 178.78 1dkd s VAL 271 N -2.65 0.00 -0.29 1.67 -7.23 -1.08 -4.87 120.40 105.95 1dkd s VAL 271 Ca -0.03 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1dkd s VAL 271 Cb 0.09 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.61 1dkd s VAL 271 CO 0.83 0.00 0.18 -0.75 -0.31 0.00 0.00 175.10 175.05 1dkd s LYS 272 N -3.47 0.23 0.20 4.82 2.20 -1.26 -4.09 119.74 118.37 1dkd s LYS 272 Ca 0.35 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1dkd s LYS 272 Cb 0.02 -1.01 -0.05 0.00 -1.51 0.00 0.00 37.83 35.28 1dkd s LYS 272 CO 0.21 -1.02 0.02 0.54 -0.36 0.00 0.00 175.35 174.73 1dkd s VAL 273 N 2.17 0.76 -0.03 4.02 0.11 -1.26 -1.32 120.40 124.85 1dkd s VAL 273 Ca 0.09 -2.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.05 1dkd s VAL 273 Cb -0.15 -2.27 0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1dkd s VAL 273 CO -0.36 -0.35 0.20 0.00 -3.33 0.00 0.00 175.10 171.26 1dkd s ALA 274 N -3.60 -0.49 0.01 1.54 0.00 -0.70 -4.86 121.76 113.65 1dkd s ALA 274 Ca 0.28 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1dkd s ALA 274 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1dkd s ALA 274 CO 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 175.76 175.55 1dkd s ALA 275 N -0.85 0.76 0.05 0.00 0.00 -1.26 -0.78 121.76 119.67 1dkd s ALA 275 Ca -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1dkd s ALA 275 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1dkd s ALA 275 CO 0.02 0.15 -0.01 0.14 0.00 0.00 0.00 175.76 176.05 1dkd s VAL 276 N -0.51 0.21 0.55 0.00 -7.23 -0.27 -1.45 120.40 111.70 1dkd s VAL 276 Ca 0.01 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 1dkd s VAL 276 Cb -0.05 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1dkd s VAL 276 CO 0.00 -0.94 1.00 -0.54 -0.31 0.00 0.00 175.10 174.31 1dkd s LYS 277 N -3.76 3.80 0.50 4.82 1.02 -1.26 -2.51 119.74 122.35 1dkd s LYS 277 Ca 0.05 0.91 -0.21 0.00 0.02 0.00 0.00 55.97 56.74 1dkd s LYS 277 Cb 0.07 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 1dkd s LYS 277 CO -0.09 -0.40 1.15 0.00 -0.92 0.00 0.00 175.35 175.09 1dkd s ALA 278 N -2.78 2.84 0.67 5.17 0.00 -0.17 -4.73 121.76 122.75 1dkd s ALA 278 Ca 0.58 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 1dkd s ALA 278 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1dkd s ALA 278 CO 0.38 -0.72 1.09 -1.25 0.00 0.00 0.00 175.76 175.26 1dkd s PRO 279 N -2.98 2.82 2.27 0.00 0.04 -1.26 -4.89 135.00 131.00 1dkd s PRO 279 Ca 0.68 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1dkd s PRO 279 Cb -0.26 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1dkd s PRO 279 CO 0.31 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1dkd n GLY 280 N -0.86 -0.44 3.21 0.56 0.00 -1.26 -4.18 105.19 102.22 1dkd n GLY 280 Ca 0.10 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1dkd n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dkd s PHE 281 N 0.00 0.65 0.00 1.61 0.40 -1.26 -4.72 117.98 114.66 1dkd s PHE 281 Ca 0.00 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 1dkd s PHE 281 Cb 0.00 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.22 1dkd s PHE 281 CO 0.00 -0.58 0.00 0.41 0.70 0.00 0.00 175.22 175.75 1dkd n GLY 282 N -0.12 1.89 0.28 4.36 0.00 -1.26 -1.51 105.19 108.82 1dkd n GLY 282 Ca -0.07 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1dkd n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dkd h ASP 283 N 3.56 0.20 -0.77 1.61 3.32 -1.99 -1.00 116.42 121.34 1dkd h ASP 283 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1dkd h ASP 283 Cb 0.00 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1dkd h ASP 283 CO 0.00 0.14 0.29 -0.09 -1.72 0.00 0.00 179.24 177.86 1dkd h ARG 284 N 0.23 1.17 -0.19 3.56 2.43 -1.84 -0.78 114.38 118.97 1dkd h ARG 284 Ca 0.06 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1dkd h ARG 284 Cb -0.02 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1dkd h ARG 284 CO -0.01 0.97 0.11 -0.09 -1.51 0.00 0.00 179.97 179.44 1dkd h ARG 285 N 1.14 0.27 -0.97 0.20 2.43 -0.10 -0.52 114.38 116.83 1dkd h ARG 285 Ca 0.26 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1dkd h ARG 285 Cb 0.25 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1dkd h ARG 285 CO -0.02 0.23 0.60 0.87 -1.51 0.00 0.00 179.97 180.15 1dkd h LYS 286 N 0.22 1.30 -0.46 0.20 1.57 -1.10 -0.60 116.57 117.71 1dkd h LYS 286 Ca 0.07 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1dkd h LYS 286 Cb 0.04 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1dkd h LYS 286 CO -0.01 0.90 -0.15 0.00 -0.57 0.00 0.00 179.45 179.62 1dkd h ALA 287 N 1.33 0.87 -0.21 3.86 0.00 -0.82 -2.44 119.26 121.84 1dkd h ALA 287 Ca 0.35 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1dkd h ALA 287 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1dkd h ALA 287 CO -0.07 0.64 -0.55 0.52 0.00 0.00 0.00 179.25 179.79 1dkd h MET 288 N 0.78 0.63 -0.61 0.00 2.86 -0.67 -1.87 114.93 116.05 1dkd h MET 288 Ca 0.12 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1dkd h MET 288 Cb 0.67 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1dkd h MET 288 CO 0.05 1.01 0.25 1.25 1.06 0.00 0.00 176.91 180.53 1dkd h LEU 289 N 0.49 0.84 -1.11 1.22 5.85 -1.04 -0.33 115.31 121.22 1dkd h LEU 289 Ca 0.01 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1dkd h LEU 289 Cb 1.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1dkd h LEU 289 CO 0.11 0.77 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.25 1dkd h GLN 290 N 0.85 0.49 -0.46 1.25 5.75 -1.35 -0.89 115.11 120.75 1dkd h GLN 290 Ca 0.21 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1dkd h GLN 290 Cb 0.19 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1dkd h GLN 290 CO -0.02 0.61 0.19 -0.44 -2.65 0.00 0.00 178.83 176.52 1dkd h ASP 291 N 0.46 0.64 -0.39 -0.69 3.45 -0.48 -0.20 116.42 119.21 1dkd h ASP 291 Ca 0.09 -0.17 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 1dkd h ASP 291 Cb 0.48 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 1dkd h ASP 291 CO 0.03 0.63 0.03 0.40 -1.57 0.00 0.00 179.24 178.76 1dkd h ILE 292 N 0.61 1.23 -0.40 0.35 2.04 -0.73 -1.17 117.51 119.44 1dkd h ILE 292 Ca 0.16 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1dkd h ILE 292 Cb 0.19 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1dkd h ILE 292 CO -0.01 0.32 0.26 0.00 0.00 0.00 0.00 178.15 178.72 1dkd h ALA 293 N 1.33 0.50 -0.33 1.87 0.00 -0.46 -1.03 119.26 121.14 1dkd h ALA 293 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dkd h ALA 293 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1dkd h ALA 293 CO 0.01 -0.04 0.06 1.15 0.00 0.00 0.00 179.25 180.43 1dkd h THR 294 N 0.54 1.23 -0.09 0.00 2.02 -0.72 0.26 112.91 116.16 1dkd h THR 294 Ca 0.15 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1dkd h THR 294 Cb -0.06 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1dkd h THR 294 CO -0.03 0.27 -0.09 0.25 0.37 0.00 0.00 175.52 176.29 1dkd h LEU 295 N 0.38 0.11 -1.79 2.58 5.85 -0.99 -3.00 115.31 118.46 1dkd h LEU 295 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1dkd h LEU 295 Cb 0.34 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1dkd h LEU 295 CO 0.01 0.22 0.00 0.35 -0.34 0.00 0.00 178.44 178.68 1dkd n THR 296 N -4.37 0.11 -1.21 1.05 -2.24 -0.41 -3.40 114.28 103.80 1dkd n THR 296 Ca -0.01 -0.55 -0.07 0.00 -2.27 0.00 0.00 64.05 61.15 1dkd n THR 296 Cb 0.20 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1dkd n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkd n GLY 297 N 0.98 0.87 3.56 3.38 0.00 -0.12 -0.48 105.19 113.37 1dkd n GLY 297 Ca 0.11 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1dkd n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkd n GLY 298 N -2.16 1.06 2.89 -0.02 0.00 0.72 -4.60 105.19 103.08 1dkd n GLY 298 Ca -0.07 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 1dkd n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dkd s THR 299 N -2.65 0.51 0.07 2.61 2.01 -0.00 -4.50 115.64 113.69 1dkd s THR 299 Ca 0.59 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 1dkd s THR 299 Cb -0.04 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1dkd s THR 299 CO 0.39 0.22 1.31 -0.69 -0.69 0.00 0.00 174.62 175.16 1dkd s VAL 300 N 0.94 3.69 -0.73 3.82 1.01 -1.26 -4.60 120.40 123.26 1dkd s VAL 300 Ca -0.11 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.85 1dkd s VAL 300 Cb -0.14 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1dkd s VAL 300 CO -0.00 0.07 0.97 -0.63 0.00 0.00 0.00 175.10 175.51 1dkd s ILE 301 N 1.37 4.52 -0.40 2.22 -1.09 -0.00 -4.99 121.20 122.84 1dkd s ILE 301 Ca 0.62 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 58.06 1dkd s ILE 301 Cb -0.33 -4.68 0.01 0.00 -1.58 0.00 0.00 42.46 35.88 1dkd s ILE 301 CO 0.29 -1.42 0.30 -0.55 -1.23 0.00 0.00 174.94 172.33 1dkd s SER 302 N 3.66 6.11 0.36 3.58 0.15 -1.26 -2.58 113.70 123.72 1dkd s SER 302 Ca 0.24 -0.77 0.09 0.00 0.70 0.00 0.00 55.95 56.21 1dkd s SER 302 Cb -0.14 -2.16 0.70 0.00 -1.71 0.00 0.00 66.02 62.71 1dkd s SER 302 CO 0.04 -0.42 1.86 -0.08 1.20 0.00 0.00 173.24 175.84 1dkd h GLU 303 N 8.61 0.24 -0.59 5.44 4.81 -1.87 -2.15 114.58 129.07 1dkd h GLU 303 Ca -0.28 -0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1dkd h GLU 303 Cb 1.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1dkd h GLU 303 CO 0.72 0.43 0.41 0.93 -0.73 0.00 0.00 179.01 180.77 1dkd h GLU 304 N 0.22 0.09 -0.40 1.92 5.08 -1.91 -1.00 114.58 118.58 1dkd h GLU 304 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dkd h GLU 304 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1dkd h GLU 304 CO 0.03 0.06 0.00 0.44 -1.00 0.00 0.00 179.01 178.54 1dkd n ILE 305 N -4.40 1.60 -0.33 3.13 -5.35 -0.97 -4.97 119.36 108.06 1dkd n ILE 305 Ca 0.11 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1dkd n ILE 305 Cb 0.60 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 1dkd n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dkd n GLY 306 N 0.36 0.82 3.84 3.28 0.00 -0.38 -5.08 105.19 108.03 1dkd n GLY 306 Ca 0.18 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1dkd n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkd s MET 307 N -0.67 4.05 -0.09 1.61 -1.94 -0.85 -4.99 119.30 116.42 1dkd s MET 307 Ca 0.00 0.64 0.01 0.00 -1.71 0.00 0.00 55.69 54.63 1dkd s MET 307 Cb 0.00 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 1dkd s MET 307 CO 0.00 0.33 -0.12 -1.21 -0.01 0.00 0.00 175.02 174.01 1dkd s GLU 308 N -2.38 2.98 0.30 2.03 2.02 -1.26 -4.17 118.70 118.22 1dkd s GLU 308 Ca 0.46 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 1dkd s GLU 308 Cb -0.14 -2.55 0.48 0.00 0.10 0.00 0.00 34.13 32.03 1dkd s GLU 308 CO 0.19 0.43 1.89 1.25 0.02 0.00 0.00 175.26 179.05 1dkd h LEU 309 N 5.98 0.76 -2.06 1.80 5.85 -1.95 -2.47 115.31 123.23 1dkd h LEU 309 Ca -0.37 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1dkd h LEU 309 Cb 1.18 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1dkd h LEU 309 CO 0.54 0.68 0.02 -0.33 -0.34 0.00 0.00 178.44 179.00 1dkd h GLU 310 N 0.83 0.00 -0.02 1.25 3.07 -1.92 -1.18 114.58 116.62 1dkd h GLU 310 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1dkd h GLU 310 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1dkd h GLU 310 CO -0.02 0.00 -0.04 1.63 -1.40 0.00 0.00 179.01 179.18 1dkd n LYS 311 N -4.45 1.61 -1.98 2.33 5.02 -0.94 -4.75 118.16 115.01 1dkd n LYS 311 Ca -0.02 -0.99 -0.41 0.00 -2.02 0.00 0.00 58.31 54.86 1dkd n LYS 311 Cb 0.11 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1dkd n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dkd s ALA 312 N -2.07 3.55 0.48 7.82 0.00 -0.45 -5.03 121.76 126.07 1dkd s ALA 312 Ca 0.35 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1dkd s ALA 312 Cb 0.21 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1dkd s ALA 312 CO 0.36 -0.82 0.06 0.95 0.00 0.00 0.00 175.76 176.31 1dkd s THR 313 N -0.92 1.52 0.50 0.00 -4.23 -1.26 -4.54 115.64 106.71 1dkd s THR 313 Ca 0.52 -1.92 0.18 0.00 -1.18 0.00 0.00 61.69 59.29 1dkd s THR 313 Cb -0.43 -2.44 0.25 0.00 1.34 0.00 0.00 72.50 71.22 1dkd s THR 313 CO 0.55 0.00 2.10 -0.07 -0.54 0.00 0.00 174.62 176.66 1dkd h LEU 314 N 1.40 0.00 -1.95 4.79 3.38 -1.95 -2.04 115.31 118.94 1dkd h LEU 314 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1dkd h LEU 314 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1dkd h LEU 314 CO 0.74 0.07 -0.11 -0.33 0.09 0.00 0.00 178.44 178.90 1dkd h GLU 315 N 0.00 0.00 0.00 1.13 4.39 -2.00 -2.16 114.58 115.94 1dkd h GLU 315 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dkd h GLU 315 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1dkd h GLU 315 CO 0.01 0.11 -0.16 -0.25 -1.16 0.00 0.00 179.01 177.56 1dkd n ASP 316 N -3.82 0.69 -4.80 1.42 8.00 -0.77 -4.77 116.55 112.51 1dkd n ASP 316 Ca -0.02 0.44 -0.36 0.00 0.71 0.00 0.00 54.79 55.56 1dkd n ASP 316 Cb 0.21 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 1dkd n ASP 316 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dkd s LEU 317 N -4.25 4.23 0.76 0.64 1.43 -0.81 -0.82 118.68 119.86 1dkd s LEU 317 Ca 0.10 1.72 -0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1dkd s LEU 317 Cb 0.13 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.36 1dkd s LEU 317 CO 0.62 -0.13 1.08 -0.83 0.23 0.00 0.00 176.35 177.32 1dkd s GLY 318 N -1.79 1.72 -0.00 -3.19 0.00 0.25 -4.35 107.32 99.95 1dkd s GLY 318 Ca 0.52 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 1dkd s GLY 318 CO 0.20 -0.61 0.16 1.20 0.00 0.00 0.00 173.10 174.05 1dkd s GLN 319 N -5.37 0.49 0.11 2.90 -0.21 0.37 -0.64 119.66 117.32 1dkd s GLN 319 Ca 0.64 -0.35 -0.16 0.00 0.02 0.00 0.00 55.36 55.51 1dkd s GLN 319 Cb -0.08 0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.16 1dkd s GLN 319 CO 0.46 -0.12 0.38 0.00 -2.12 0.00 0.00 175.29 173.90 1dkd s ALA 320 N -1.32 -0.87 0.18 6.09 0.00 -1.22 -1.55 121.76 123.08 1dkd s ALA 320 Ca -0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 1dkd s ALA 320 Cb -0.07 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.76 1dkd s ALA 320 CO 0.02 -0.60 1.58 -0.22 0.00 0.00 0.00 175.76 176.54 1dkd h LYS 321 N 2.49 0.89 -2.27 0.00 3.64 -0.56 -3.28 116.57 117.49 1dkd h LYS 321 Ca -0.34 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 58.65 1dkd h LYS 321 Cb 1.24 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.86 1dkd h LYS 321 CO 0.47 1.03 0.27 0.50 -2.27 0.00 0.00 179.45 179.45 1dkd s ARG 322 N -4.63 1.04 -0.04 1.90 3.52 -0.87 -1.59 118.95 118.29 1dkd s ARG 322 Ca -0.10 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1dkd s ARG 322 Cb 0.13 0.49 0.01 0.00 -1.56 0.00 0.00 34.95 34.02 1dkd s ARG 322 CO 0.86 -0.38 -0.07 0.08 -0.81 0.00 0.00 175.30 174.97 1dkd s VAL 323 N -2.11 0.72 -0.09 7.11 1.01 -0.72 -0.01 120.40 126.31 1dkd s VAL 323 Ca -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1dkd s VAL 323 Cb -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1dkd s VAL 323 CO 0.00 0.25 -0.19 -0.69 0.00 0.00 0.00 175.10 174.47 1dkd s VAL 324 N 0.62 1.71 -0.02 2.92 1.01 -0.41 -1.42 120.40 124.80 1dkd s VAL 324 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1dkd s VAL 324 Cb -0.13 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1dkd s VAL 324 CO 0.01 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 1dkd s ILE 325 N 0.49 0.57 0.00 2.22 1.01 -0.18 -0.32 121.20 124.99 1dkd s ILE 325 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1dkd s ILE 325 Cb -0.17 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1dkd s ILE 325 CO 0.07 0.19 0.00 -0.46 0.00 0.00 0.00 174.94 174.74 1dkd n ASN 326 N 3.34 1.22 0.24 3.58 0.23 -0.42 0.04 115.26 123.49 1dkd n ASN 326 Ca -0.18 -0.24 0.08 0.00 -0.53 0.00 0.00 54.58 53.71 1dkd n ASN 326 Cb 0.55 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.84 1dkd n ASN 326 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1dkd h LYS 327 N 0.00 0.00 0.00 -3.83 3.64 -1.95 -2.30 116.57 112.14 1dkd h LYS 327 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1dkd h LYS 327 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1dkd h LYS 327 CO 0.00 0.15 -1.07 -0.25 -2.27 0.00 0.00 179.45 176.02 1dkd n ASP 328 N -4.12 4.72 -4.28 4.20 8.00 -1.26 -4.01 116.55 119.80 1dkd n ASP 328 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 1dkd n ASP 328 Cb 0.23 0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 42.06 1dkd n ASP 328 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dkd s THR 329 N -2.06 1.29 -0.05 -3.53 -4.23 -1.25 -1.94 115.64 103.87 1dkd s THR 329 Ca -0.00 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1dkd s THR 329 Cb 0.01 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1dkd s THR 329 CO 0.05 -0.69 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.40 1dkd s THR 330 N -3.25 1.32 -0.07 3.99 2.01 -0.83 -1.29 115.64 117.51 1dkd s THR 330 Ca 0.19 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1dkd s THR 330 Cb 0.02 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1dkd s THR 330 CO 0.02 0.39 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.33 1dkd s THR 331 N 0.17 1.13 -0.23 -0.82 2.01 0.57 -2.03 115.64 116.44 1dkd s THR 331 Ca -0.06 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1dkd s THR 331 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1dkd s THR 331 CO 0.02 0.36 0.02 -0.63 -0.69 0.00 0.00 174.62 173.71 1dkd s ILE 332 N 0.81 3.99 -0.22 1.82 1.01 0.96 -1.29 121.20 128.29 1dkd s ILE 332 Ca -0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1dkd s ILE 332 Cb -0.15 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1dkd s ILE 332 CO 0.02 0.38 0.02 -0.63 0.00 0.00 0.00 174.94 174.73 1dkd s ILE 333 N 1.42 4.02 -0.82 2.92 1.01 0.99 -1.46 121.20 129.27 1dkd s ILE 333 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 1dkd s ILE 333 Cb -0.15 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1dkd s ILE 333 CO 0.01 0.40 0.72 0.47 0.00 0.00 0.00 174.94 176.55 1dkd n ASP 334 N 4.49 -7.04 -4.77 3.58 8.00 -1.24 -1.17 116.55 118.40 1dkd n ASP 334 Ca -0.17 -0.36 -0.39 0.00 0.71 0.00 0.00 54.79 54.59 1dkd n ASP 334 Cb 0.52 -4.63 -0.04 0.00 -0.02 0.00 0.00 41.12 36.95 1dkd n ASP 334 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dkd s GLY 335 N -3.08 2.94 0.00 0.44 0.00 -1.02 -2.07 107.32 104.52 1dkd s GLY 335 Ca 0.10 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1dkd s GLY 335 CO 0.78 1.42 0.18 -0.62 0.00 0.00 0.00 173.10 174.86