#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdg s ALA -3 N 0.00 1.86 0.31 4.61 0.00 -1.26 -5.09 121.76 122.19 2kdg s ALA -3 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 2kdg s ALA -3 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2kdg s ALA -3 CO 0.00 -2.27 0.48 0.00 0.00 0.00 0.00 175.76 173.97 2kdg s MET -2 N -4.69 1.77 -0.05 0.00 0.23 -1.26 -5.03 119.30 110.26 2kdg s MET -2 Ca 0.65 -1.56 -0.31 0.00 -1.03 0.00 0.00 55.69 53.44 2kdg s MET -2 Cb -0.21 0.45 0.13 0.00 -1.53 0.00 0.00 34.83 33.67 2kdg s MET -2 CO 0.56 -0.74 1.36 0.20 -2.03 0.00 0.00 175.02 174.37 2kdg s GLY -1 N -3.15 -0.39 0.72 3.16 0.00 -0.28 -4.95 107.32 102.44 2kdg s GLY -1 Ca 0.27 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.53 2kdg s GLY -1 CO 0.15 1.67 1.07 2.56 0.00 0.00 0.00 173.10 178.55 2kdg s PRO 249 N -2.16 2.68 0.49 2.90 0.04 -1.26 -1.22 135.00 136.46 2kdg s PRO 249 Ca 0.19 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 62.08 2kdg s PRO 249 Cb 0.05 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2kdg s PRO 249 CO -0.04 -1.31 1.13 -1.25 0.04 0.00 0.00 177.00 175.57 2kdg s PRO 250 N -4.90 3.64 0.08 0.56 0.04 -1.26 -3.76 135.00 129.40 2kdg s PRO 250 Ca 0.60 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.32 2kdg s PRO 250 Cb -0.16 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2kdg s PRO 250 CO 0.54 -0.62 -0.06 1.03 0.04 0.00 0.00 177.00 177.92 2kdg s ARG 251 N -2.94 0.76 -1.27 4.56 3.00 -1.26 -4.65 118.95 117.15 2kdg s ARG 251 Ca 0.67 -1.24 -0.16 0.00 0.00 0.00 0.00 55.73 55.01 2kdg s ARG 251 Cb -0.25 -0.15 0.12 0.00 0.00 0.00 0.00 34.95 34.66 2kdg s ARG 251 CO 0.30 -0.02 1.63 1.19 0.00 0.00 0.00 175.30 178.40 2kdg n PHE 252 N 0.19 4.72 0.06 -0.53 3.72 -1.26 -3.33 117.46 121.03 2kdg n PHE 252 Ca -0.14 -3.07 -0.10 0.00 -0.05 0.00 0.00 57.45 54.09 2kdg n PHE 252 Cb 0.60 -2.43 -0.07 0.00 -0.94 0.00 0.00 39.48 36.65 2kdg n PHE 252 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2kdg h ILE 253 N 5.07 0.72 -2.51 4.37 1.08 -1.97 -3.47 117.51 120.79 2kdg h ILE 253 Ca 0.40 -1.09 -0.09 0.00 -0.39 0.00 0.00 64.86 63.68 2kdg h ILE 253 Cb 0.86 1.22 -0.25 0.00 -3.07 0.00 0.00 36.82 35.57 2kdg h ILE 253 CO 1.39 0.19 -0.24 -1.58 -0.69 0.00 0.00 178.15 177.22 2kdg s GLN 254 N -3.25 0.45 0.04 2.37 -0.44 -1.20 -4.99 119.66 112.63 2kdg s GLN 254 Ca -0.11 0.89 0.01 0.00 -2.50 0.00 0.00 55.36 53.64 2kdg s GLN 254 Cb 0.00 0.03 -0.04 0.00 -1.64 0.00 0.00 33.01 31.36 2kdg s GLN 254 CO 0.42 -0.16 0.10 0.14 0.50 0.00 0.00 175.29 176.29 2kdg s VAL 255 N 1.51 4.76 0.74 1.34 -7.23 -1.26 -2.28 120.40 117.97 2kdg s VAL 255 Ca -0.09 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 2kdg s VAL 255 Cb -0.08 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.64 2kdg s VAL 255 CO -0.14 0.22 1.08 -2.16 -0.31 0.00 0.00 175.10 173.78 2kdg s PRO 256 N -2.15 2.56 0.90 4.82 0.04 -1.26 -5.06 135.00 134.85 2kdg s PRO 256 Ca 0.28 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 2kdg s PRO 256 Cb -0.12 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.59 2kdg s PRO 256 CO 0.20 -1.32 1.12 -1.21 0.04 0.00 0.00 177.00 175.82 2kdg s GLU 257 N -5.11 1.24 0.90 4.56 2.02 -1.26 -4.89 118.70 116.16 2kdg s GLU 257 Ca 0.59 0.45 -0.10 0.00 0.02 0.00 0.00 54.97 55.93 2kdg s GLU 257 Cb -0.14 -1.84 0.14 0.00 0.10 0.00 0.00 34.13 32.39 2kdg s GLU 257 CO 0.54 -2.16 1.14 0.54 0.02 0.00 0.00 175.26 175.34 2kdg s ASN 258 N -3.85 3.09 0.14 -0.19 2.20 -1.26 -4.80 114.94 110.27 2kdg s ASN 258 Ca 0.63 2.12 0.04 0.00 -0.94 0.00 0.00 52.86 54.71 2kdg s ASN 258 Cb -0.16 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.50 2kdg s ASN 258 CO 0.55 -2.98 -0.09 -0.04 -2.94 0.00 0.00 177.10 171.60 2kdg s MET 259 N -4.68 1.03 -0.26 3.55 -1.94 -0.76 -5.00 119.30 111.23 2kdg s MET 259 Ca 0.66 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 53.17 2kdg s MET 259 Cb -0.22 -0.52 0.09 0.00 2.01 0.00 0.00 34.83 36.18 2kdg s MET 259 CO 0.58 0.04 0.09 -1.54 -0.01 0.00 0.00 175.02 174.18 2kdg s SER 260 N -3.15 3.46 -0.09 3.03 1.04 -1.26 -0.95 113.70 115.77 2kdg s SER 260 Ca 0.16 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.39 2kdg s SER 260 Cb 0.03 -0.57 -0.00 0.00 0.10 0.00 0.00 66.02 65.58 2kdg s SER 260 CO -0.00 -0.39 -0.23 -0.63 0.98 0.00 0.00 173.24 172.96 2kdg s ILE 261 N 1.89 2.17 0.18 -1.02 -1.09 -1.15 -4.90 121.20 117.27 2kdg s ILE 261 Ca 0.06 -0.99 -0.32 0.00 -2.23 0.00 0.00 60.65 57.17 2kdg s ILE 261 Cb -0.17 -1.82 -0.11 0.00 -1.58 0.00 0.00 42.46 38.78 2kdg s ILE 261 CO -0.24 0.56 1.72 -0.62 -1.23 0.00 0.00 174.94 175.13 2kdg s ASP 262 N 0.22 6.42 0.09 3.58 2.15 -1.26 -0.73 116.67 127.14 2kdg s ASP 262 Ca -0.15 2.81 -0.34 0.00 0.43 0.00 0.00 52.55 55.30 2kdg s ASP 262 Cb -0.17 -2.59 -0.14 0.00 -0.30 0.00 0.00 42.92 39.72 2kdg s ASP 262 CO 0.07 -0.96 1.61 1.21 -0.17 0.00 0.00 175.17 176.94 2kdg n GLU 263 N 4.31 2.00 0.00 4.34 2.13 -0.49 -2.62 120.64 130.32 2kdg n GLU 263 Ca 0.16 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2kdg n GLU 263 Cb 0.36 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2kdg n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kdg n GLY 264 N 3.52 0.22 3.79 8.31 0.00 0.25 -4.84 105.19 116.44 2kdg n GLY 264 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2kdg n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kdg s ARG 265 N -0.96 2.07 0.30 1.61 0.52 -1.08 -4.52 118.95 116.89 2kdg s ARG 265 Ca 0.00 0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 55.66 2kdg s ARG 265 Cb 0.00 -1.91 -0.09 0.00 0.52 0.00 0.00 34.95 33.47 2kdg s ARG 265 CO 0.00 -1.66 1.07 0.12 0.02 0.00 0.00 175.30 174.85 2kdg s PHE 266 N -3.09 3.58 0.25 -0.53 2.19 -1.24 -2.13 117.98 117.01 2kdg s PHE 266 Ca 0.61 1.72 -0.12 0.00 0.33 0.00 0.00 56.93 59.47 2kdg s PHE 266 Cb -0.15 -3.21 -0.00 0.00 -1.31 0.00 0.00 43.02 38.35 2kdg s PHE 266 CO 0.55 -0.41 0.47 0.00 1.83 0.00 0.00 175.22 177.66 2kdg s ARG 268 N -3.98 1.03 -0.00 0.00 1.70 -1.26 -0.85 118.95 115.58 2kdg s ARG 268 Ca 0.23 -1.11 0.02 0.00 -0.47 0.00 0.00 55.73 54.40 2kdg s ARG 268 Cb -0.00 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2kdg s ARG 268 CO 0.09 -0.35 -0.07 -1.64 -1.08 0.00 0.00 175.30 172.25 2kdg s MET 269 N -3.93 0.53 -0.07 3.89 -1.94 0.09 -5.00 119.30 112.87 2kdg s MET 269 Ca 0.13 -0.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.87 2kdg s MET 269 Cb 0.04 -0.51 0.02 0.00 2.01 0.00 0.00 34.83 36.39 2kdg s MET 269 CO -0.04 0.14 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.54 2kdg s ASP 270 N -0.20 1.56 -0.20 3.03 1.11 -1.26 -1.42 116.67 119.30 2kdg s ASP 270 Ca 0.02 -0.21 -0.01 0.00 0.18 0.00 0.00 52.55 52.54 2kdg s ASP 270 Cb -0.03 -0.64 0.05 0.00 1.07 0.00 0.00 42.92 43.38 2kdg s ASP 270 CO -0.00 -0.07 -0.03 -0.36 1.18 0.00 0.00 175.17 175.89 2kdg s PHE 271 N 1.23 1.80 -0.13 4.23 0.40 -0.14 -4.05 117.98 121.31 2kdg s PHE 271 Ca -0.05 -1.29 -0.29 0.00 -0.60 0.00 0.00 56.93 54.69 2kdg s PHE 271 Cb -0.14 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 2kdg s PHE 271 CO -0.02 -0.68 1.33 0.15 0.70 0.00 0.00 175.22 176.71 2kdg s LYS 272 N 1.60 4.23 -0.23 0.44 1.02 -0.97 -1.00 119.74 124.84 2kdg s LYS 272 Ca -0.02 1.77 -0.01 0.00 0.02 0.00 0.00 55.97 57.72 2kdg s LYS 272 Cb -0.17 -3.78 0.06 0.00 -0.52 0.00 0.00 37.83 33.42 2kdg s LYS 272 CO -0.07 -0.71 0.00 0.54 -0.92 0.00 0.00 175.35 174.19 2kdg s VAL 273 N 3.47 1.03 0.52 3.17 0.11 -0.08 -3.25 120.40 125.37 2kdg s VAL 273 Ca 0.58 -0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 2kdg s VAL 273 Cb -0.24 -1.46 0.12 0.00 -1.53 0.00 0.00 36.38 33.27 2kdg s VAL 273 CO 0.18 -0.21 0.61 -0.24 -3.33 0.00 0.00 175.10 172.11 2kdg n SER 274 N 4.85 -0.45 0.00 3.54 2.88 -1.21 -4.61 113.62 118.61 2kdg n SER 274 Ca -0.09 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2kdg n SER 274 Cb 0.45 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2kdg n SER 274 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kdg n GLY 275 N 0.19 2.20 3.28 0.46 0.00 -1.25 -4.03 105.19 106.04 2kdg n GLY 275 Ca 0.08 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 2kdg n GLY 275 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kdg s LEU 276 N 0.00 0.22 1.10 0.99 2.96 -0.36 -4.54 118.68 119.05 2kdg s LEU 276 Ca 0.00 0.84 -0.13 0.00 -0.22 0.00 0.00 54.13 54.62 2kdg s LEU 276 Cb 0.00 1.34 0.25 0.00 0.50 0.00 0.00 46.19 48.28 2kdg s LEU 276 CO 0.00 -0.16 1.05 -2.16 -1.32 0.00 0.00 176.35 173.76 2kdg s PRO 277 N 0.77 -0.44 0.01 0.98 0.04 -1.26 -1.12 135.00 133.98 2kdg s PRO 277 Ca -0.05 0.65 -0.34 0.00 0.04 0.00 0.00 61.00 61.31 2kdg s PRO 277 Cb -0.06 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.74 2kdg s PRO 277 CO -0.06 -3.35 1.80 0.00 0.04 0.00 0.00 177.00 175.44 2kdg n ALA 278 N -4.63 1.17 -1.31 8.56 0.00 -1.26 -4.85 120.51 118.20 2kdg n ALA 278 Ca 0.04 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 2kdg n ALA 278 Cb 0.56 -2.48 0.10 0.00 0.00 0.00 0.00 19.45 17.62 2kdg n ALA 278 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kdg s PRO 279 N 3.15 2.09 1.11 0.00 0.04 -1.26 -4.92 135.00 135.21 2kdg s PRO 279 Ca 0.88 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 2kdg s PRO 279 Cb -0.65 -1.89 0.25 0.00 0.04 0.00 0.00 34.50 32.25 2kdg s PRO 279 CO 0.46 -1.71 1.06 -0.51 0.04 0.00 0.00 177.00 176.33 2kdg s ASP 280 N -3.49 1.56 -0.04 6.66 1.01 -0.05 -4.84 116.67 117.47 2kdg s ASP 280 Ca 0.61 1.27 -0.01 0.00 0.71 0.00 0.00 52.55 55.13 2kdg s ASP 280 Cb -0.17 -1.97 0.03 0.00 1.01 0.00 0.00 42.92 41.82 2kdg s ASP 280 CO 0.56 -3.81 0.03 0.54 0.21 0.00 0.00 175.17 172.70 2kdg s VAL 281 N -2.71 0.08 -0.22 -1.27 0.11 -1.26 -3.68 120.40 111.44 2kdg s VAL 281 Ca 0.67 0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.95 2kdg s VAL 281 Cb -0.21 -0.27 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 2kdg s VAL 281 CO 0.61 0.19 0.08 -0.44 -3.33 0.00 0.00 175.10 172.21 2kdg s SER 282 N 1.78 3.02 0.39 3.54 0.01 -0.83 -5.03 113.70 116.58 2kdg s SER 282 Ca 0.01 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.17 2kdg s SER 282 Cb -0.12 -0.45 -0.07 0.00 0.21 0.00 0.00 66.02 65.58 2kdg s SER 282 CO -0.03 -0.37 0.77 0.26 0.41 0.00 0.00 173.24 174.28 2kdg s TRP 283 N 1.98 3.44 0.06 2.43 0.52 -1.26 -1.22 118.94 124.89 2kdg s TRP 283 Ca 0.04 1.10 -0.03 0.00 0.02 0.00 0.00 56.10 57.23 2kdg s TRP 283 Cb -0.16 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 2kdg s TRP 283 CO -0.18 -0.07 0.04 0.71 0.02 0.00 0.00 176.95 177.48 2kdg s TYR 284 N -2.28 0.38 -0.12 -1.98 1.51 0.08 -1.04 117.35 113.89 2kdg s TYR 284 Ca 0.52 -0.86 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 2kdg s TYR 284 Cb -0.10 -0.27 0.06 0.00 -0.11 0.00 0.00 41.96 41.54 2kdg s TYR 284 CO 0.28 -0.41 0.18 -1.17 -1.11 0.00 0.00 175.55 173.32 2kdg s LEU 285 N -2.75 -0.08 -1.39 -1.29 2.96 -0.02 -1.50 118.68 114.60 2kdg s LEU 285 Ca 0.04 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2kdg s LEU 285 Cb 0.05 0.31 0.00 0.00 0.50 0.00 0.00 46.19 47.05 2kdg s LEU 285 CO -0.09 -0.27 0.00 0.59 -1.32 0.00 0.00 176.35 175.26 2kdg n ASN 286 N 5.32 -3.93 0.00 3.68 3.02 -0.35 -1.77 115.26 121.23 2kdg n ASN 286 Ca -0.05 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2kdg n ASN 286 Cb 0.50 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 2kdg n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kdg n GLY 287 N -0.16 0.39 3.89 7.41 0.00 -1.26 -5.08 105.19 110.37 2kdg n GLY 287 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2kdg n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kdg s ARG 288 N -0.75 3.69 0.67 1.61 3.00 -0.73 -5.09 118.95 121.35 2kdg s ARG 288 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 55.73 55.81 2kdg s ARG 288 Cb 0.00 -2.51 0.01 0.00 0.00 0.00 0.00 34.95 32.44 2kdg s ARG 288 CO 0.00 0.07 1.11 0.95 0.00 0.00 0.00 175.30 177.44 2kdg s THR 289 N -2.26 3.19 -0.25 0.02 -4.23 -1.26 -0.84 115.64 110.00 2kdg s THR 289 Ca 0.47 0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 2kdg s THR 289 Cb -0.10 -3.07 0.08 0.00 1.34 0.00 0.00 72.50 70.75 2kdg s THR 289 CO 0.32 -0.35 0.06 -0.69 -0.54 0.00 0.00 174.62 173.41 2kdg s VAL 290 N -2.35 0.71 0.72 2.29 1.01 -0.21 -4.69 120.40 117.89 2kdg s VAL 290 Ca 0.67 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2kdg s VAL 290 Cb -0.21 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2kdg s VAL 290 CO 0.42 -0.44 1.07 -1.10 0.00 0.00 0.00 175.10 175.06 2kdg s GLN 291 N 1.74 2.67 0.65 2.72 -1.52 -1.26 -4.04 119.66 120.61 2kdg s GLN 291 Ca 0.04 1.07 -0.15 0.00 -1.95 0.00 0.00 55.36 54.37 2kdg s GLN 291 Cb -0.17 -1.95 -0.00 0.00 -0.22 0.00 0.00 33.01 30.66 2kdg s GLN 291 CO -0.17 -1.32 1.11 -1.54 -0.25 0.00 0.00 175.29 173.12 2kdg s SER 292 N -3.54 5.17 0.24 5.90 1.04 -1.26 -4.97 113.70 116.29 2kdg s SER 292 Ca 0.60 1.99 -0.15 0.00 0.48 0.00 0.00 55.95 58.86 2kdg s SER 292 Cb -0.16 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2kdg s SER 292 CO 0.54 -1.59 0.53 -0.62 0.98 0.00 0.00 173.24 173.09 2kdg s ASP 293 N -2.59 -0.15 0.41 7.02 2.15 -0.68 -4.95 116.67 117.88 2kdg s ASP 293 Ca 0.67 -0.78 0.09 0.00 0.43 0.00 0.00 52.55 52.96 2kdg s ASP 293 Cb -0.20 0.61 0.89 0.00 -0.30 0.00 0.00 42.92 43.92 2kdg s ASP 293 CO 0.41 -1.17 2.00 -0.78 -0.17 0.00 0.00 175.17 175.46 2kdg h ASP 294 N 2.20 0.49 1.30 -0.34 3.58 -2.01 -1.78 116.42 119.86 2kdg h ASP 294 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kdg h ASP 294 Cb 1.25 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kdg h ASP 294 CO 0.33 0.32 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.73 2kdg h LEU 295 N 0.56 0.00 -6.04 2.28 3.38 -1.96 -3.41 115.31 110.12 2kdg h LEU 295 Ca 0.25 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.58 2kdg h LEU 295 Cb 0.27 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.62 2kdg h LEU 295 CO -0.07 0.03 -0.97 1.41 0.09 0.00 0.00 178.44 178.93 2kdg n HIS 296 N -2.26 0.75 -2.30 1.13 8.25 -0.68 -1.17 115.22 118.93 2kdg n HIS 296 Ca 0.05 -3.73 -0.38 0.00 -0.26 0.00 0.00 57.72 53.40 2kdg n HIS 296 Cb 0.44 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2kdg n HIS 296 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2kdg s LYS 297 N -1.60 4.03 -0.25 -0.41 1.02 -1.12 -1.68 119.74 119.72 2kdg s LYS 297 Ca 0.37 1.82 -0.04 0.00 0.02 0.00 0.00 55.97 58.14 2kdg s LYS 297 Cb 0.17 -2.64 0.09 0.00 -0.52 0.00 0.00 37.83 34.94 2kdg s LYS 297 CO -0.08 -0.33 0.14 -1.64 -0.92 0.00 0.00 175.35 172.52 2kdg s MET 298 N -2.35 0.17 0.13 1.68 -1.94 -1.26 -1.92 119.30 113.80 2kdg s MET 298 Ca 0.58 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.26 2kdg s MET 298 Cb -0.30 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 2kdg s MET 298 CO 0.38 -0.90 -0.03 0.96 -0.01 0.00 0.00 175.02 175.41 2kdg s ILE 299 N 2.15 0.64 -0.15 2.53 -0.00 -1.06 -5.03 121.20 120.29 2kdg s ILE 299 Ca 0.07 -1.95 -0.02 0.00 -0.00 0.00 0.00 60.65 58.75 2kdg s ILE 299 Cb -0.16 -1.87 0.05 0.00 -0.00 0.00 0.00 42.46 40.48 2kdg s ILE 299 CO -0.27 -0.70 0.01 -0.69 -0.00 0.00 0.00 174.94 173.29 2kdg s VAL 300 N -3.67 0.59 0.42 8.37 1.01 -1.26 -1.20 120.40 124.66 2kdg s VAL 300 Ca 0.17 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2kdg s VAL 300 Cb 0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 2kdg s VAL 300 CO -0.01 -0.01 1.20 -0.44 0.00 0.00 0.00 175.10 175.84 2kdg s SER 301 N 1.85 6.35 0.46 3.32 0.01 -0.23 -4.94 113.70 120.52 2kdg s SER 301 Ca 0.01 2.41 0.31 0.00 1.31 0.00 0.00 55.95 59.99 2kdg s SER 301 Cb -0.15 -2.62 1.62 0.00 0.21 0.00 0.00 66.02 65.08 2kdg s SER 301 CO -0.07 -0.80 1.95 1.05 0.41 0.00 0.00 173.24 175.78 2kdg h GLU 302 N 2.45 0.00 0.00 12.44 9.09 -2.01 -1.54 114.58 135.02 2kdg h GLU 302 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2kdg h GLU 302 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2kdg h GLU 302 CO 0.62 0.00 0.00 1.63 0.05 0.00 0.00 179.01 181.31 2kdg n LYS 303 N -2.62 0.37 -0.95 1.06 4.76 -1.26 -4.90 118.16 114.62 2kdg n LYS 303 Ca -0.01 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2kdg n LYS 303 Cb 0.09 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2kdg n LYS 303 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kdg n GLY 304 N 0.55 1.05 2.90 0.72 0.00 -0.59 -4.99 105.19 104.83 2kdg n GLY 304 Ca 0.11 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2kdg n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kdg s LEU 305 N -0.33 3.31 0.36 0.99 2.96 -1.17 -0.90 118.68 123.91 2kdg s LEU 305 Ca 0.00 -1.73 -0.25 0.00 -0.22 0.00 0.00 54.13 51.93 2kdg s LEU 305 Cb 0.00 -1.24 -0.10 0.00 0.50 0.00 0.00 46.19 45.35 2kdg s LEU 305 CO 0.00 -0.36 0.98 -2.28 -1.32 0.00 0.00 176.35 173.38 2kdg s HIS 306 N 1.28 3.51 0.03 5.38 5.65 -0.17 -1.06 115.29 129.90 2kdg s HIS 306 Ca 0.06 1.72 0.03 0.00 0.25 0.00 0.00 55.06 57.12 2kdg s HIS 306 Cb -0.18 -3.00 -0.02 0.00 -1.18 0.00 0.00 32.58 28.20 2kdg s HIS 306 CO -0.14 -0.12 -0.08 0.45 -0.65 0.00 0.00 174.74 174.20 2kdg s SER 307 N -1.63 0.97 -0.10 9.88 0.15 -0.34 -0.97 113.70 121.66 2kdg s SER 307 Ca 0.54 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.81 2kdg s SER 307 Cb -0.19 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2kdg s SER 307 CO 0.25 -0.05 -0.06 -0.22 1.20 0.00 0.00 173.24 174.35 2kdg s LEU 308 N -0.97 1.10 0.16 3.45 1.98 -0.51 -2.55 118.68 121.34 2kdg s LEU 308 Ca -0.03 -0.26 0.10 0.00 -2.89 0.00 0.00 54.13 51.05 2kdg s LEU 308 Cb -0.07 -0.76 -0.04 0.00 0.66 0.00 0.00 46.19 45.98 2kdg s LEU 308 CO 0.00 -0.13 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.52 2kdg s ILE 309 N 1.70 2.71 -0.24 6.68 1.09 -0.81 -0.73 121.20 131.60 2kdg s ILE 309 Ca 0.04 -1.73 0.01 0.00 -1.10 0.00 0.00 60.65 57.87 2kdg s ILE 309 Cb -0.13 -2.28 0.06 0.00 -1.06 0.00 0.00 42.46 39.06 2kdg s ILE 309 CO -0.07 -0.02 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.36 2kdg s PHE 310 N -1.43 2.40 0.22 3.97 0.40 -0.03 -3.64 117.98 119.87 2kdg s PHE 310 Ca 0.20 -1.80 -0.06 0.00 -0.60 0.00 0.00 56.93 54.67 2kdg s PHE 310 Cb -0.09 -1.65 0.19 0.00 0.51 0.00 0.00 43.02 41.98 2kdg s PHE 310 CO 0.11 -0.79 1.69 0.93 0.70 0.00 0.00 175.22 177.86 2kdg h GLU 311 N 7.95 0.93 -1.73 0.44 4.39 -1.41 -1.80 114.58 123.35 2kdg h GLU 311 Ca -0.17 -0.29 -0.33 0.00 0.34 0.00 0.00 59.36 58.92 2kdg h GLU 311 Cb 1.07 -0.09 -0.28 0.00 -0.10 0.00 0.00 28.75 29.35 2kdg h GLU 311 CO 0.42 0.93 -0.67 0.54 -1.16 0.00 0.00 179.01 179.07 2kdg s VAL 312 N -4.96 -0.42 0.33 3.13 0.11 -1.25 -3.71 120.40 113.62 2kdg s VAL 312 Ca -0.10 -1.14 -0.29 0.00 -2.93 0.00 0.00 61.98 57.52 2kdg s VAL 312 Cb 0.14 -0.56 -0.10 0.00 -1.53 0.00 0.00 36.38 34.33 2kdg s VAL 312 CO 0.84 -0.52 1.32 0.54 -3.33 0.00 0.00 175.10 173.95 2kdg s VAL 313 N 1.16 2.70 0.29 2.04 0.11 -0.90 -4.83 120.40 120.96 2kdg s VAL 313 Ca 0.22 0.69 0.11 0.00 -2.93 0.00 0.00 61.98 60.07 2kdg s VAL 313 Cb -0.08 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2kdg s VAL 313 CO -0.06 0.16 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.57 2kdg s ARG 314 N -1.69 1.73 0.48 1.54 1.81 -1.26 -0.58 118.95 120.98 2kdg s ARG 314 Ca 0.50 -1.78 0.17 0.00 -1.72 0.00 0.00 55.73 52.90 2kdg s ARG 314 Cb -0.40 -1.78 1.19 0.00 -0.45 0.00 0.00 34.95 33.51 2kdg s ARG 314 CO 0.52 0.30 2.04 0.00 -0.68 0.00 0.00 175.30 177.49 2kdg h ALA 315 N 2.21 2.12 0.00 2.13 0.00 -1.96 -0.67 119.26 123.09 2kdg h ALA 315 Ca -0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kdg h ALA 315 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kdg h ALA 315 CO 0.62 -0.21 -0.03 1.03 0.00 0.00 0.00 179.25 180.66 2kdg h SER 316 N 0.19 0.00 0.54 0.00 0.87 -1.97 -2.91 113.55 110.28 2kdg h SER 316 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2kdg h SER 316 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kdg h SER 316 CO -0.03 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 176.77 2kdg n ASP 317 N -3.21 0.00 -4.76 6.23 8.00 -0.26 -4.88 116.55 117.68 2kdg n ASP 317 Ca -0.01 -0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.09 2kdg n ASP 317 Cb 0.21 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2kdg n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdg s ALA 318 N -2.62 2.76 0.00 2.24 0.00 -1.10 -4.90 121.76 118.14 2kdg s ALA 318 Ca 0.24 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2kdg s ALA 318 Cb 0.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kdg s ALA 318 CO 0.41 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2kdg n GLY 319 N 0.56 0.91 3.56 0.00 0.00 -0.32 -4.98 105.19 104.91 2kdg n GLY 319 Ca 0.11 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2kdg n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdg s ALA 320 N -1.12 3.23 0.40 4.61 0.00 -1.26 -1.31 121.76 126.31 2kdg s ALA 320 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2kdg s ALA 320 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 2kdg s ALA 320 CO 0.00 -2.09 0.80 0.71 0.00 0.00 0.00 175.76 175.18 2kdg s TYR 321 N 3.80 3.45 0.06 0.00 1.51 0.07 -1.22 117.35 125.01 2kdg s TYR 321 Ca 0.37 1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 57.54 2kdg s TYR 321 Cb -0.10 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 2kdg s TYR 321 CO 0.26 -0.10 0.04 0.00 -1.11 0.00 0.00 175.55 174.64 2kdg s ALA 322 N -2.33 0.26 -0.24 3.71 0.00 -0.56 -1.76 121.76 120.84 2kdg s ALA 322 Ca 0.53 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 2kdg s ALA 322 Cb -0.10 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.42 2kdg s ALA 322 CO 0.28 -0.40 0.11 0.00 0.00 0.00 0.00 175.76 175.75 2kdg s VAL 324 N 2.06 4.35 -0.13 0.00 1.01 -0.36 -1.29 120.40 126.05 2kdg s VAL 324 Ca 0.06 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 2kdg s VAL 324 Cb -0.16 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2kdg s VAL 324 CO -0.24 0.12 -0.05 0.00 0.00 0.00 0.00 175.10 174.93 2kdg s ALA 325 N 1.13 1.25 -0.01 5.51 0.00 0.01 -1.97 121.76 127.69 2kdg s ALA 325 Ca 0.56 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2kdg s ALA 325 Cb -0.26 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 2kdg s ALA 325 CO 0.28 -0.58 -0.10 0.15 0.00 0.00 0.00 175.76 175.51 2kdg s LYS 326 N 1.74 0.84 0.31 0.00 1.02 -1.24 -0.90 119.74 121.51 2kdg s LYS 326 Ca 0.03 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.71 2kdg s LYS 326 Cb -0.14 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 2kdg s LYS 326 CO -0.08 0.21 0.17 0.27 -0.92 0.00 0.00 175.35 175.00 2kdg n ASN 327 N 2.87 0.49 0.04 2.83 0.23 -0.54 -0.87 115.26 120.31 2kdg n ASN 327 Ca -0.14 -2.81 0.04 0.00 -0.53 0.00 0.00 54.58 51.13 2kdg n ASN 327 Cb 0.56 1.06 0.18 0.00 -2.08 0.00 0.00 39.78 39.50 2kdg n ASN 327 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2kdg n ARG 328 N -0.67 0.04 -0.00 -3.83 1.85 -1.26 -2.88 116.66 109.91 2kdg n ARG 328 Ca -0.00 0.50 0.04 0.00 -1.00 0.00 0.00 57.85 57.39 2kdg n ARG 328 Cb 0.51 -1.61 -0.07 0.00 -1.05 0.00 0.00 32.46 30.23 2kdg n ARG 328 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kdg n ALA 329 N -1.57 2.34 0.00 2.89 0.00 -1.26 -5.09 120.51 117.82 2kdg n ALA 329 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kdg n ALA 329 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2kdg n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kdg n GLY 330 N 1.98 -1.29 2.98 0.00 0.00 -1.14 -4.52 105.19 103.21 2kdg n GLY 330 Ca -0.02 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 2kdg n GLY 330 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kdg s GLU 331 N -0.61 0.40 0.06 1.61 2.12 -1.26 -1.47 118.70 119.55 2kdg s GLU 331 Ca 0.00 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.95 2kdg s GLU 331 Cb 0.00 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 2kdg s GLU 331 CO 0.00 0.06 -0.05 0.00 -0.54 0.00 0.00 175.26 174.73 2kdg s ALA 332 N -0.64 0.66 -0.30 6.30 0.00 -0.08 -4.82 121.76 122.88 2kdg s ALA 332 Ca -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2kdg s ALA 332 Cb -0.05 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.35 2kdg s ALA 332 CO -0.00 -0.23 0.15 0.99 0.00 0.00 0.00 175.76 176.67 2kdg s THR 333 N -3.08 -0.04 0.63 0.00 2.01 -1.26 -0.81 115.64 113.10 2kdg s THR 333 Ca 0.03 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 2kdg s THR 333 Cb 0.02 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2kdg s THR 333 CO -0.05 -0.78 1.05 -0.36 -0.69 0.00 0.00 174.62 173.79 2kdg s PHE 334 N 1.90 3.11 -0.04 4.92 0.08 -0.41 -4.86 117.98 122.68 2kdg s PHE 334 Ca 0.11 1.46 -0.07 0.00 0.12 0.00 0.00 56.93 58.55 2kdg s PHE 334 Cb -0.17 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2kdg s PHE 334 CO -0.29 -1.07 0.16 0.99 -0.10 0.00 0.00 175.22 174.91 2kdg s THR 335 N -2.73 0.03 0.27 0.64 2.01 -1.26 -1.03 115.64 113.56 2kdg s THR 335 Ca 0.61 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.22 2kdg s THR 335 Cb -0.14 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.05 2kdg s THR 335 CO 0.44 -0.13 0.55 0.54 -0.69 0.00 0.00 174.62 175.33 2kdg s VAL 336 N -0.42 0.00 0.04 3.82 0.11 -0.72 -4.87 120.40 118.36 2kdg s VAL 336 Ca -0.05 -1.30 0.04 0.00 -2.93 0.00 0.00 61.98 57.74 2kdg s VAL 336 Cb -0.03 -2.20 -0.02 0.00 -1.53 0.00 0.00 36.38 32.59 2kdg s VAL 336 CO 0.01 0.00 -0.13 -1.58 -3.33 0.00 0.00 175.10 170.07 2kdg s GLN 337 N -3.88 0.84 -0.10 1.54 0.74 -1.26 -0.75 119.66 116.78 2kdg s GLN 337 Ca 0.20 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 2kdg s GLN 337 Cb -0.02 -0.82 0.03 0.00 1.10 0.00 0.00 33.01 33.30 2kdg s GLN 337 CO 0.09 0.20 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.81 2kdg s LEU 338 N -1.26 1.00 -0.95 3.68 2.96 -0.43 -1.83 118.68 121.85 2kdg s LEU 338 Ca -0.00 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2kdg s LEU 338 Cb -0.08 -0.70 0.24 0.00 0.50 0.00 0.00 46.19 46.15 2kdg s LEU 338 CO 0.01 -0.16 0.89 -0.62 -1.32 0.00 0.00 176.35 175.15 2kdg s ASP 339 N 1.80 6.63 -0.28 3.68 2.15 -0.13 -1.18 116.67 129.35 2kdg s ASP 339 Ca 0.05 -3.40 -0.28 0.00 0.43 0.00 0.00 52.55 49.34 2kdg s ASP 339 Cb -0.13 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 2kdg s ASP 339 CO -0.07 -0.31 1.88 -0.69 -0.17 0.00 0.00 175.17 175.81 2kdg s VAL 340 N -0.92 3.38 -0.71 1.11 1.01 -1.26 -2.92 120.40 120.08 2kdg s VAL 340 Ca 0.26 0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 2kdg s VAL 340 Cb -0.10 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2kdg s VAL 340 CO -0.09 -0.29 1.70 -0.76 0.00 0.00 0.00 175.10 175.66 2kdg s LEU 341 N 6.93 3.25 0.55 3.92 1.43 0.10 -4.88 118.68 129.99 2kdg s LEU 341 Ca 0.84 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.61 2kdg s LEU 341 Cb -0.26 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 2kdg s LEU 341 CO 0.34 -2.24 1.33 0.00 0.23 0.00 0.00 176.35 176.01 2kdg s ALA 342 N 8.12 2.76 -0.12 4.21 0.00 -1.26 -1.39 121.76 134.08 2kdg s ALA 342 Ca 0.58 1.28 0.16 0.00 0.00 0.00 0.00 51.96 53.98 2kdg s ALA 342 Cb -0.10 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 2kdg s ALA 342 CO 0.14 -1.34 0.87 -0.22 0.00 0.00 0.00 175.76 175.21 2kdg h LYS 343 N 1.36 0.00 0.00 0.00 3.64 -1.94 -3.46 116.57 116.18 2kdg h LYS 343 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kdg h LYS 343 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2kdg h LYS 343 CO 0.57 0.32 0.00 -0.85 -2.27 0.00 0.00 179.45 177.22