#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 2.08 0.31 4.61 0.00 -1.26 -5.08 121.76 122.42 2kdg s ALA -3 Ca 0.00 0.72 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 2kdg s ALA -3 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2kdg s ALA -3 CO 0.00 -1.92 0.55 0.00 0.00 0.00 0.00 175.76 174.39 2kdg s MET -2 N -4.16 1.81 0.03 0.00 0.23 -1.26 -5.01 119.30 110.94 2kdg s MET -2 Ca 0.71 -1.44 -0.28 0.00 -1.03 0.00 0.00 55.69 53.64 2kdg s MET -2 Cb -0.25 0.50 0.10 0.00 -1.53 0.00 0.00 34.83 33.65 2kdg s MET -2 CO 0.48 -0.78 1.22 0.20 -2.03 0.00 0.00 175.02 174.11 2kdg s GLY -1 N -3.10 -0.29 0.79 3.16 0.00 -0.06 -5.01 107.32 102.81 2kdg s GLY -1 Ca 0.23 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 2kdg s GLY -1 CO 0.13 1.35 1.10 2.56 0.00 0.00 0.00 173.10 178.24 2kdg s PRO 249 N -2.44 2.10 0.84 2.90 0.04 -1.26 -2.64 135.00 134.54 2kdg s PRO 249 Ca 0.17 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2kdg s PRO 249 Cb 0.02 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.79 2kdg s PRO 249 CO -0.02 -1.78 1.09 -1.25 0.04 0.00 0.00 177.00 175.09 2kdg s PRO 250 N -4.77 1.70 0.16 0.56 0.04 -1.26 -4.38 135.00 127.04 2kdg s PRO 250 Ca 0.63 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.72 2kdg s PRO 250 Cb -0.19 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2kdg s PRO 250 CO 0.55 -1.99 -0.03 0.50 0.04 0.00 0.00 177.00 176.07 2kdg s ARG 251 N -4.90 1.06 -0.89 4.56 6.06 -0.55 -4.76 118.95 119.54 2kdg s ARG 251 Ca 0.63 -1.49 -0.06 0.00 -2.50 0.00 0.00 55.73 52.31 2kdg s ARG 251 Cb -0.18 -0.35 0.22 0.00 0.06 0.00 0.00 34.95 34.71 2kdg s ARG 251 CO 0.57 -0.07 0.80 -0.06 -2.50 0.00 0.00 175.30 174.04 2kdg s PHE 252 N -3.57 3.88 -0.02 5.12 0.40 -1.26 -3.88 117.98 118.64 2kdg s PHE 252 Ca 0.20 -2.72 -0.01 0.00 -0.60 0.00 0.00 56.93 53.81 2kdg s PHE 252 Cb 0.05 -3.48 -0.00 0.00 0.51 0.00 0.00 43.02 40.10 2kdg s PHE 252 CO 0.02 -0.85 -0.01 0.82 0.70 0.00 0.00 175.22 175.90 2kdg h ILE 253 N 4.31 0.00 -2.43 0.64 1.08 -1.94 -3.50 117.51 115.67 2kdg h ILE 253 Ca 0.12 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.30 2kdg h ILE 253 Cb 0.89 0.00 -0.20 0.00 -3.07 0.00 0.00 36.82 34.44 2kdg h ILE 253 CO 0.85 0.00 -0.01 -1.58 -0.69 0.00 0.00 178.15 176.72 2kdg s GLN 254 N -1.16 0.87 0.11 2.37 0.74 -1.21 -5.01 119.66 116.36 2kdg s GLN 254 Ca -0.01 0.15 0.08 0.00 0.05 0.00 0.00 55.36 55.63 2kdg s GLN 254 Cb 0.00 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.48 2kdg s GLN 254 CO 0.01 -0.25 -0.19 0.14 -0.55 0.00 0.00 175.29 174.45 2kdg s VAL 255 N -1.06 1.63 0.69 1.34 -7.23 -1.26 -2.11 120.40 112.39 2kdg s VAL 255 Ca -0.11 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 2kdg s VAL 255 Cb -0.02 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.40 2kdg s VAL 255 CO 0.07 -0.12 1.06 -2.16 -0.31 0.00 0.00 175.10 173.63 2kdg s PRO 256 N -2.01 2.94 0.84 4.82 0.04 -1.26 -5.04 135.00 135.34 2kdg s PRO 256 Ca 0.06 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 2kdg s PRO 256 Cb -0.09 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.55 2kdg s PRO 256 CO 0.04 -1.10 1.12 -1.83 0.04 0.00 0.00 177.00 175.28 2kdg s GLU 257 N -4.93 1.70 0.71 4.56 -1.05 -1.26 -4.84 118.70 113.59 2kdg s GLU 257 Ca 0.59 0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 55.68 2kdg s GLU 257 Cb -0.14 -1.89 0.02 0.00 -0.44 0.00 0.00 34.13 31.68 2kdg s GLU 257 CO 0.53 -1.84 1.24 0.27 0.95 0.00 0.00 175.26 176.41 2kdg n ASN 258 N -3.55 1.64 -4.29 0.83 2.04 -1.26 -4.80 115.26 105.87 2kdg n ASN 258 Ca 0.07 0.74 -0.16 0.00 -0.44 0.00 0.00 54.58 54.79 2kdg n ASN 258 Cb 0.58 -1.53 -0.10 0.00 -2.53 0.00 0.00 39.78 36.20 2kdg n ASN 258 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 2kdg s MET 259 N -3.61 1.17 -0.20 -3.83 -1.94 -0.52 -4.99 119.30 105.38 2kdg s MET 259 Ca 0.79 -1.52 -0.04 0.00 -1.71 0.00 0.00 55.69 53.21 2kdg s MET 259 Cb -0.35 -0.76 0.07 0.00 2.01 0.00 0.00 34.83 35.80 2kdg s MET 259 CO 0.44 0.08 0.08 -1.54 -0.01 0.00 0.00 175.02 174.07 2kdg s SER 260 N -3.23 2.75 -0.07 3.03 1.04 -1.26 -0.99 113.70 114.97 2kdg s SER 260 Ca 0.20 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2kdg s SER 260 Cb 0.02 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2kdg s SER 260 CO 0.03 -0.35 -0.19 -0.63 0.98 0.00 0.00 173.24 173.08 2kdg s ILE 261 N 2.03 1.64 0.24 -1.02 -1.09 -1.10 -4.93 121.20 116.97 2kdg s ILE 261 Ca 0.02 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.34 2kdg s ILE 261 Cb -0.16 -1.43 -0.11 0.00 -1.58 0.00 0.00 42.46 39.18 2kdg s ILE 261 CO -0.13 0.47 1.53 -0.62 -1.23 0.00 0.00 174.94 174.95 2kdg s ASP 262 N 0.25 6.54 0.18 3.58 2.15 -1.26 -0.74 116.67 127.36 2kdg s ASP 262 Ca -0.11 2.75 -0.33 0.00 0.43 0.00 0.00 52.55 55.28 2kdg s ASP 262 Cb -0.15 -2.62 -0.15 0.00 -0.30 0.00 0.00 42.92 39.71 2kdg s ASP 262 CO 0.05 -0.80 1.40 1.21 -0.17 0.00 0.00 175.17 176.85 2kdg n GLU 263 N 2.73 1.74 -0.03 4.34 2.13 -0.29 -2.76 120.64 128.50 2kdg n GLU 263 Ca 0.09 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2kdg n GLU 263 Cb 0.39 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 2.56 1.25 3.78 8.31 0.00 -0.02 -4.88 105.19 116.19 2kdg n GLY 264 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 2.33 0.43 1.61 0.52 -1.11 -4.49 118.95 117.67 2kdg s ARG 265 Ca 0.00 1.05 -0.24 0.00 -0.52 0.00 0.00 55.73 56.03 2kdg s ARG 265 Cb 0.00 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 33.47 2kdg s ARG 265 CO 0.00 -1.55 1.12 0.12 0.02 0.00 0.00 175.30 175.01 2kdg s PHE 266 N -2.96 3.06 0.15 -0.53 2.19 -1.24 -1.90 117.98 116.75 2kdg s PHE 266 Ca 0.60 1.58 -0.12 0.00 0.33 0.00 0.00 56.93 59.32 2kdg s PHE 266 Cb -0.16 -3.28 0.01 0.00 -1.31 0.00 0.00 43.02 38.27 2kdg s PHE 266 CO 0.56 -1.14 0.35 0.00 1.83 0.00 0.00 175.22 176.82 2kdg s ARG 268 N -3.90 1.16 0.15 0.00 1.70 -1.26 -0.77 118.95 116.02 2kdg s ARG 268 Ca 0.11 -1.34 0.05 0.00 -0.47 0.00 0.00 55.73 54.08 2kdg s ARG 268 Cb 0.02 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 2kdg s ARG 268 CO -0.04 -0.40 -0.11 -1.64 -1.08 0.00 0.00 175.30 172.02 2kdg s MET 269 N -4.03 1.07 -0.33 3.89 -1.94 0.18 -4.99 119.30 113.15 2kdg s MET 269 Ca 0.24 -1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 52.78 2kdg s MET 269 Cb 0.05 -0.70 0.12 0.00 2.01 0.00 0.00 34.83 36.30 2kdg s MET 269 CO 0.04 0.10 0.17 -0.51 -0.01 0.00 0.00 175.02 174.81 2kdg s ASP 270 N -3.06 3.37 -0.41 3.03 1.01 -1.26 -2.99 116.67 116.35 2kdg s ASP 270 Ca 0.16 -1.81 -0.07 0.00 0.71 0.00 0.00 52.55 51.54 2kdg s ASP 270 Cb 0.01 -0.49 0.09 0.00 1.01 0.00 0.00 42.92 43.54 2kdg s ASP 270 CO 0.01 -0.37 0.24 -0.36 0.21 0.00 0.00 175.17 174.90 2kdg s PHE 271 N 1.47 3.40 0.27 4.23 0.40 -0.69 -4.06 117.98 123.01 2kdg s PHE 271 Ca 0.14 -1.82 -0.29 0.00 -0.60 0.00 0.00 56.93 54.35 2kdg s PHE 271 Cb -0.20 -3.04 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 2kdg s PHE 271 CO -0.17 -0.90 1.32 0.15 0.70 0.00 0.00 175.22 176.32 2kdg s LYS 272 N 1.33 4.37 0.04 0.44 1.02 -0.90 -0.77 119.74 125.28 2kdg s LYS 272 Ca 0.04 2.15 -0.10 0.00 0.02 0.00 0.00 55.97 58.08 2kdg s LYS 272 Cb -0.23 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2kdg s LYS 272 CO -0.00 -0.22 0.21 0.54 -0.92 0.00 0.00 175.35 174.96 2kdg s VAL 273 N -0.55 0.11 0.22 3.17 0.11 -0.28 -3.30 120.40 119.88 2kdg s VAL 273 Ca 0.53 -0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 2kdg s VAL 273 Cb -0.39 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2kdg s VAL 273 CO 0.46 -0.49 0.21 -0.55 -3.33 0.00 0.00 175.10 171.40 2kdg s SER 274 N -2.15 0.16 0.00 3.54 0.15 -1.25 -4.49 113.70 109.65 2kdg s SER 274 Ca -0.04 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.30 2kdg s SER 274 Cb -0.01 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2kdg s SER 274 CO -0.04 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2kdg n GLY 275 N -0.31 4.22 3.21 9.45 0.00 -1.26 -1.48 105.19 119.02 2kdg n GLY 275 Ca 0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.15 1.05 0.99 2.96 -1.08 -4.41 118.68 118.04 2kdg s LEU 276 Ca 0.00 0.83 -0.12 0.00 -0.22 0.00 0.00 54.13 54.61 2kdg s LEU 276 Cb 0.00 1.19 0.22 0.00 0.50 0.00 0.00 46.19 48.10 2kdg s LEU 276 CO 0.00 -0.20 1.07 -2.16 -1.32 0.00 0.00 176.35 173.74 2kdg s PRO 277 N 1.73 -0.01 -0.05 0.98 0.04 -1.26 -0.88 135.00 135.54 2kdg s PRO 277 Ca -0.07 0.65 -0.34 0.00 0.04 0.00 0.00 61.00 61.28 2kdg s PRO 277 Cb -0.10 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2kdg s PRO 277 CO -0.12 -3.06 1.86 0.00 0.04 0.00 0.00 177.00 175.72 2kdg n ALA 278 N -4.43 1.00 -1.29 8.56 0.00 -1.26 -4.85 120.51 118.25 2kdg n ALA 278 Ca 0.05 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 2kdg n ALA 278 Cb 0.56 -2.50 0.09 0.00 0.00 0.00 0.00 19.45 17.60 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 3.79 2.28 1.07 0.00 0.04 -1.26 -4.92 135.00 136.00 2kdg s PRO 279 Ca 0.91 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2kdg s PRO 279 Cb -0.67 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.20 2kdg s PRO 279 CO 0.49 -1.61 1.07 0.34 0.04 0.00 0.00 177.00 177.33 2kdg s ASP 280 N -3.44 1.95 -0.14 6.66 2.15 0.03 -4.82 116.67 119.07 2kdg s ASP 280 Ca 0.61 1.29 -0.02 0.00 0.43 0.00 0.00 52.55 54.86 2kdg s ASP 280 Cb -0.17 -2.00 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 2kdg s ASP 280 CO 0.56 -3.56 -0.01 0.54 -0.17 0.00 0.00 175.17 172.53 2kdg s VAL 281 N -2.78 0.64 -0.31 1.11 0.11 -1.26 -3.73 120.40 114.17 2kdg s VAL 281 Ca 0.67 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 2kdg s VAL 281 Cb -0.21 -0.90 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 2kdg s VAL 281 CO 0.60 0.09 0.12 -0.44 -3.33 0.00 0.00 175.10 172.13 2kdg s SER 282 N 1.84 3.87 0.46 3.54 0.01 -0.91 -5.03 113.70 117.49 2kdg s SER 282 Ca 0.02 -1.63 -0.11 0.00 1.31 0.00 0.00 55.95 55.54 2kdg s SER 282 Cb -0.14 -0.75 -0.06 0.00 0.21 0.00 0.00 66.02 65.28 2kdg s SER 282 CO -0.07 -0.41 0.85 0.26 0.41 0.00 0.00 173.24 174.28 2kdg s TRP 283 N 1.64 3.50 0.06 2.43 0.52 -1.25 -1.02 118.94 124.82 2kdg s TRP 283 Ca 0.10 1.12 -0.04 0.00 0.02 0.00 0.00 56.10 57.30 2kdg s TRP 283 Cb -0.18 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2kdg s TRP 283 CO -0.26 -0.25 0.06 0.71 0.02 0.00 0.00 176.95 177.24 2kdg s TYR 284 N -2.57 0.35 -0.14 -1.98 1.51 0.21 -0.96 117.35 113.77 2kdg s TYR 284 Ca 0.53 -0.84 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2kdg s TYR 284 Cb -0.10 -0.24 0.07 0.00 -0.11 0.00 0.00 41.96 41.57 2kdg s TYR 284 CO 0.36 -0.44 0.25 -1.17 -1.11 0.00 0.00 175.55 173.43 2kdg s LEU 285 N -2.83 -0.26 -0.39 -1.29 2.96 0.02 -1.31 118.68 115.58 2kdg s LEU 285 Ca 0.05 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 2kdg s LEU 285 Cb 0.06 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.37 2kdg s LEU 285 CO -0.10 -0.25 0.00 0.59 -1.32 0.00 0.00 176.35 175.27 2kdg n ASN 286 N 5.34 -4.54 0.00 3.68 3.02 -0.52 -1.73 115.26 120.51 2kdg n ASN 286 Ca -0.06 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kdg n ASN 286 Cb 0.50 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 0.53 1.51 3.93 7.41 0.00 -1.26 -5.08 105.19 112.23 2kdg n GLY 287 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.33 3.32 0.77 1.61 0.52 -0.71 -5.10 118.95 119.03 2kdg s ARG 288 Ca 0.00 -0.19 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 2kdg s ARG 288 Cb 0.00 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2kdg s ARG 288 CO 0.00 -0.16 1.09 0.95 0.02 0.00 0.00 175.30 177.19 2kdg s THR 289 N -2.58 3.41 -0.18 0.02 -4.23 -1.26 -0.80 115.64 110.01 2kdg s THR 289 Ca 0.46 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.42 2kdg s THR 289 Cb -0.10 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.79 2kdg s THR 289 CO 0.40 -0.60 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.16 2kdg s VAL 290 N -2.94 1.03 -0.09 2.29 1.01 -0.14 -4.55 120.40 117.02 2kdg s VAL 290 Ca 0.61 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2kdg s VAL 290 Cb -0.17 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2kdg s VAL 290 CO 0.56 0.02 -0.01 -1.10 0.00 0.00 0.00 175.10 174.57 2kdg s GLN 291 N 1.65 3.02 0.47 2.72 -0.21 -1.26 -3.90 119.66 122.15 2kdg s GLN 291 Ca -0.01 -0.44 -0.24 0.00 0.02 0.00 0.00 55.36 54.70 2kdg s GLN 291 Cb -0.16 -2.78 -0.07 0.00 1.00 0.00 0.00 33.01 31.00 2kdg s GLN 291 CO -0.07 0.65 1.33 -1.54 -2.12 0.00 0.00 175.29 173.54 2kdg s SER 292 N -0.75 5.85 0.30 5.90 1.04 -1.26 -4.95 113.70 119.83 2kdg s SER 292 Ca 0.12 2.69 -0.06 0.00 0.48 0.00 0.00 55.95 59.17 2kdg s SER 292 Cb -0.11 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.40 2kdg s SER 292 CO 0.02 -1.17 0.51 -0.90 0.98 0.00 0.00 173.24 172.68 2kdg n ASP 293 N -0.42 -1.45 0.30 7.02 5.68 -1.08 -4.99 116.55 121.61 2kdg n ASP 293 Ca 0.07 -2.40 0.19 0.00 -0.50 0.00 0.00 54.79 52.15 2kdg n ASP 293 Cb 0.44 2.53 1.03 0.00 -1.14 0.00 0.00 41.12 43.98 2kdg n ASP 293 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2kdg h ASP 294 N 1.58 0.00 0.00 -1.12 3.58 -2.02 -1.93 116.42 116.50 2kdg h ASP 294 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2kdg h ASP 294 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kdg h ASP 294 CO 0.32 0.00 -0.77 0.18 -2.88 0.00 0.00 179.24 176.09 2kdg n LEU 295 N -2.87 0.54 -3.33 2.28 4.77 -1.26 -4.78 117.00 112.35 2kdg n LEU 295 Ca -0.03 -0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 55.27 2kdg n LEU 295 Cb 0.11 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2kdg n LEU 295 CO 0.17 0.13 -0.12 1.41 -1.33 0.00 0.00 177.39 177.65 2kdg n HIS 296 N -1.41 1.57 -2.79 -1.77 8.25 -0.73 -1.27 115.22 117.07 2kdg n HIS 296 Ca 0.02 -3.85 -0.37 0.00 -0.26 0.00 0.00 57.72 53.26 2kdg n HIS 296 Cb 0.23 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.73 4.57 -0.21 -0.41 1.02 -1.17 -2.63 119.74 119.18 2kdg s LYS 297 Ca 0.37 1.31 -0.04 0.00 0.02 0.00 0.00 55.97 57.63 2kdg s LYS 297 Cb 0.15 -2.78 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 2kdg s LYS 297 CO -0.07 0.27 0.14 -1.64 -0.92 0.00 0.00 175.35 173.13 2kdg s MET 298 N -2.08 0.13 0.13 1.68 -1.94 -1.26 -1.71 119.30 114.25 2kdg s MET 298 Ca 0.50 -0.11 -0.00 0.00 -1.71 0.00 0.00 55.69 54.37 2kdg s MET 298 Cb -0.18 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.14 2kdg s MET 298 CO 0.23 -0.76 0.04 0.96 -0.01 0.00 0.00 175.02 175.48 2kdg s ILE 299 N 2.19 0.24 -0.13 2.53 -0.00 -0.95 -5.05 121.20 120.04 2kdg s ILE 299 Ca 0.05 -1.92 -0.02 0.00 -0.00 0.00 0.00 60.65 58.77 2kdg s ILE 299 Cb -0.16 -2.01 0.04 0.00 -0.00 0.00 0.00 42.46 40.33 2kdg s ILE 299 CO -0.17 -0.52 -0.00 -0.69 -0.00 0.00 0.00 174.94 173.56 2kdg s VAL 300 N -3.95 0.59 0.44 8.37 1.01 -1.26 -0.76 120.40 124.85 2kdg s VAL 300 Ca 0.22 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2kdg s VAL 300 Cb 0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 2kdg s VAL 300 CO 0.01 0.11 1.29 -0.55 0.00 0.00 0.00 175.10 175.97 2kdg s SER 301 N 1.86 6.09 0.59 3.32 0.15 -0.20 -4.93 113.70 120.58 2kdg s SER 301 Ca 0.03 2.62 0.38 0.00 0.70 0.00 0.00 55.95 59.68 2kdg s SER 301 Cb -0.14 -2.63 2.09 0.00 -1.71 0.00 0.00 66.02 63.63 2kdg s SER 301 CO -0.07 -1.00 2.18 1.05 1.20 0.00 0.00 173.24 176.60 2kdg h GLU 302 N 2.34 0.00 0.00 5.44 4.11 -2.01 -1.59 114.58 122.87 2kdg h GLU 302 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2kdg h GLU 302 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kdg h GLU 302 CO 0.61 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.32 2kdg n LYS 303 N -2.88 0.54 -1.29 1.06 4.76 -1.26 -4.92 118.16 114.17 2kdg n LYS 303 Ca -0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 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 0.84 0.67 2.69 0.72 0.00 -0.60 -4.98 105.19 104.54 2kdg n GLY 304 Ca 0.15 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.93 1.30 -0.28 0.99 2.96 -1.22 -1.12 118.68 120.37 2kdg s LEU 305 Ca 0.00 -1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 2kdg s LEU 305 Cb 0.00 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2kdg s LEU 305 CO 0.00 -0.36 1.21 -2.28 -1.32 0.00 0.00 176.35 173.60 2kdg s HIS 306 N 1.85 2.89 -0.04 5.38 5.65 0.05 -1.03 115.29 130.05 2kdg s HIS 306 Ca 0.04 1.02 -0.15 0.00 0.25 0.00 0.00 55.06 56.22 2kdg s HIS 306 Cb -0.17 -3.75 -0.05 0.00 -1.18 0.00 0.00 32.58 27.43 2kdg s HIS 306 CO -0.18 -1.34 0.41 -1.12 -0.65 0.00 0.00 174.74 171.86 2kdg s SER 307 N 2.22 6.75 -0.08 9.88 0.01 0.06 -1.71 113.70 130.83 2kdg s SER 307 Ca 0.52 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2kdg s SER 307 Cb -0.16 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2kdg s SER 307 CO 0.19 0.24 -0.07 -0.22 0.41 0.00 0.00 173.24 173.79 2kdg s LEU 308 N -0.61 1.25 0.08 2.44 1.98 -1.16 -2.24 118.68 120.42 2kdg s LEU 308 Ca 0.23 -0.23 0.09 0.00 -2.89 0.00 0.00 54.13 51.33 2kdg s LEU 308 Cb -0.16 -0.68 -0.03 0.00 0.66 0.00 0.00 46.19 45.97 2kdg s LEU 308 CO 0.12 -0.08 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.65 2kdg s ILE 309 N 1.29 1.85 -0.28 6.68 1.09 -0.70 -0.65 121.20 130.50 2kdg s ILE 309 Ca -0.04 -1.46 0.03 0.00 -1.10 0.00 0.00 60.65 58.08 2kdg s ILE 309 Cb -0.14 -1.64 0.07 0.00 -1.06 0.00 0.00 42.46 39.69 2kdg s ILE 309 CO -0.03 0.10 -0.06 -0.36 -0.10 0.00 0.00 174.94 174.50 2kdg s PHE 310 N -0.99 3.17 0.23 3.97 0.08 0.05 -3.06 117.98 121.44 2kdg s PHE 310 Ca 0.09 -2.36 -0.03 0.00 0.12 0.00 0.00 56.93 54.75 2kdg s PHE 310 Cb -0.10 -2.09 0.25 0.00 -0.57 0.00 0.00 43.02 40.52 2kdg s PHE 310 CO 0.04 -0.88 1.68 0.93 -0.10 0.00 0.00 175.22 176.89 2kdg h GLU 311 N 7.78 0.78 -1.71 0.44 4.39 -1.44 -0.52 114.58 124.30 2kdg h GLU 311 Ca -0.15 -0.27 -0.28 0.00 0.34 0.00 0.00 59.36 59.00 2kdg h GLU 311 Cb 1.04 -0.06 -0.28 0.00 -0.10 0.00 0.00 28.75 29.35 2kdg h GLU 311 CO 0.47 0.87 -0.62 0.54 -1.16 0.00 0.00 179.01 179.11 2kdg s VAL 312 N -4.77 -0.51 0.48 3.13 0.11 -1.25 -3.72 120.40 113.87 2kdg s VAL 312 Ca -0.09 -0.72 -0.22 0.00 -2.93 0.00 0.00 61.98 58.02 2kdg s VAL 312 Cb 0.14 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 2kdg s VAL 312 CO 0.82 -0.43 1.16 0.54 -3.33 0.00 0.00 175.10 173.87 2kdg s VAL 313 N 1.60 3.09 0.07 2.04 0.11 -0.80 -4.84 120.40 121.67 2kdg s VAL 313 Ca 0.16 0.78 0.02 0.00 -2.93 0.00 0.00 61.98 60.01 2kdg s VAL 313 Cb -0.12 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2kdg s VAL 313 CO -0.06 -0.05 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.47 2kdg s ARG 314 N -2.85 0.71 0.39 1.54 1.81 -1.26 -0.84 118.95 118.45 2kdg s ARG 314 Ca 0.66 -1.12 0.07 0.00 -1.72 0.00 0.00 55.73 53.62 2kdg s ARG 314 Cb -0.28 -0.20 0.83 0.00 -0.45 0.00 0.00 34.95 34.86 2kdg s ARG 314 CO 0.33 -0.00 2.01 0.00 -0.68 0.00 0.00 175.30 176.96 2kdg h ALA 315 N 3.52 1.75 0.00 2.13 0.00 -1.96 -1.74 119.26 122.96 2kdg h ALA 315 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kdg h ALA 315 Cb 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kdg h ALA 315 CO 0.56 0.18 0.00 0.43 0.00 0.00 0.00 179.25 180.42 2kdg n SER 316 N -4.47 0.40 -0.73 0.00 7.64 -1.26 -2.59 113.62 112.61 2kdg n SER 316 Ca 0.07 0.64 0.07 0.00 1.01 0.00 0.00 58.87 60.66 2kdg n SER 316 Cb 0.17 -0.71 0.16 0.00 -1.01 0.00 0.00 64.21 62.82 2kdg n SER 316 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kdg n ASP 317 N -1.99 2.93 -4.74 6.43 8.00 -0.65 -5.00 116.55 121.53 2kdg n ASP 317 Ca 0.01 -1.92 -0.32 0.00 0.71 0.00 0.00 54.79 53.27 2kdg n ASP 317 Cb 0.11 -0.23 0.10 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.02 2.09 0.00 2.24 0.00 -1.07 -4.98 121.76 119.03 2kdg s ALA 318 Ca 0.26 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2kdg s ALA 318 Cb 0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2kdg s ALA 318 CO 0.19 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2kdg n GLY 319 N -0.47 0.66 3.56 0.00 0.00 -0.51 -4.96 105.19 103.46 2kdg n GLY 319 Ca 0.11 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.48 2.90 0.42 4.61 0.00 -1.26 -1.32 121.76 125.63 2kdg s ALA 320 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 2kdg s ALA 320 Cb 0.00 -4.11 -0.11 0.00 0.00 0.00 0.00 23.12 18.90 2kdg s ALA 320 CO 0.00 -2.92 0.93 0.71 0.00 0.00 0.00 175.76 174.47 2kdg s TYR 321 N 5.21 3.33 0.12 0.00 1.51 -0.14 -1.44 117.35 125.93 2kdg s TYR 321 Ca 0.38 1.55 -0.05 0.00 -1.01 0.00 0.00 57.07 57.94 2kdg s TYR 321 Cb -0.08 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 2kdg s TYR 321 CO 0.20 -0.10 0.15 0.00 -1.11 0.00 0.00 175.55 174.69 2kdg s ALA 322 N -2.18 0.25 -0.03 3.71 0.00 -0.42 -1.44 121.76 121.64 2kdg s ALA 322 Ca 0.61 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2kdg s ALA 322 Cb -0.09 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.72 2kdg s ALA 322 CO 0.15 -0.52 0.05 0.00 0.00 0.00 0.00 175.76 175.43 2kdg s VAL 324 N 1.36 5.01 -0.15 0.00 1.01 -0.19 -0.92 120.40 126.52 2kdg s VAL 324 Ca -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kdg s VAL 324 Cb -0.13 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2kdg s VAL 324 CO -0.03 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 2kdg s ALA 325 N -0.01 1.60 -0.01 5.51 0.00 -0.11 -2.14 121.76 126.60 2kdg s ALA 325 Ca 0.07 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2kdg s ALA 325 Cb -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2kdg s ALA 325 CO 0.01 -0.60 -0.12 0.15 0.00 0.00 0.00 175.76 175.20 2kdg s LYS 326 N 1.59 0.96 0.32 0.00 1.02 -1.24 -0.86 119.74 121.53 2kdg s LYS 326 Ca 0.03 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 55.65 2kdg s LYS 326 Cb -0.14 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2kdg s LYS 326 CO -0.09 0.24 0.15 0.27 -0.92 0.00 0.00 175.35 175.00 2kdg n ASN 327 N 2.85 0.75 0.00 2.83 0.23 -0.57 -0.79 115.26 120.56 2kdg n ASN 327 Ca -0.14 -2.79 0.01 0.00 -0.53 0.00 0.00 54.58 51.13 2kdg n ASN 327 Cb 0.56 0.98 0.06 0.00 -2.08 0.00 0.00 39.78 39.29 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 -0.70 0.01 -0.00 -3.83 1.85 -1.26 -2.89 116.66 109.84 2kdg n ARG 328 Ca -0.02 0.40 0.02 0.00 -1.00 0.00 0.00 57.85 57.25 2kdg n ARG 328 Cb 0.50 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.38 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 -1.44 2.24 0.00 2.89 0.00 -1.26 -5.08 120.51 117.85 2kdg n ALA 329 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kdg n ALA 329 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 1.97 -1.28 2.97 0.00 0.00 -1.14 -4.47 105.19 103.24 2kdg n GLY 330 Ca -0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.52 0.39 0.08 1.61 2.12 -1.26 -1.51 118.70 119.62 2kdg s GLU 331 Ca 0.00 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.07 2kdg s GLU 331 Cb 0.00 -0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 2kdg s GLU 331 CO 0.00 0.08 -0.06 0.00 -0.54 0.00 0.00 175.26 174.74 2kdg s ALA 332 N -0.36 0.85 -0.04 6.30 0.00 -0.04 -4.80 121.76 123.66 2kdg s ALA 332 Ca -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 2kdg s ALA 332 Cb -0.03 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2kdg s ALA 332 CO -0.00 -0.22 0.12 0.99 0.00 0.00 0.00 175.76 176.65 2kdg s THR 333 N -3.35 0.01 0.09 0.00 2.01 -1.26 -0.93 115.64 112.22 2kdg s THR 333 Ca 0.08 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2kdg s THR 333 Cb 0.03 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2kdg s THR 333 CO -0.05 -0.05 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.36 2kdg s PHE 334 N -0.13 1.10 -0.03 4.92 0.08 -0.09 -5.00 117.98 118.83 2kdg s PHE 334 Ca -0.02 -0.61 -0.08 0.00 0.12 0.00 0.00 56.93 56.35 2kdg s PHE 334 Cb -0.02 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2kdg s PHE 334 CO 0.00 0.02 0.18 0.99 -0.10 0.00 0.00 175.22 176.31 2kdg s THR 335 N -2.18 0.04 0.29 0.64 2.01 -1.26 -0.98 115.64 114.21 2kdg s THR 335 Ca 0.04 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2kdg s THR 335 Cb -0.05 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.10 2kdg s THR 335 CO 0.01 -0.19 0.57 0.54 -0.69 0.00 0.00 174.62 174.86 2kdg s VAL 336 N -0.69 0.00 0.02 3.82 0.11 -0.52 -4.85 120.40 118.29 2kdg s VAL 336 Ca -0.08 -1.30 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 2kdg s VAL 336 Cb -0.05 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 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 -3.58 0.98 -0.25 1.54 0.74 -1.26 -0.97 119.66 116.87 2kdg s GLN 337 Ca 0.21 -0.62 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 2kdg s GLN 337 Cb -0.02 -0.97 0.07 0.00 1.10 0.00 0.00 33.01 33.19 2kdg s GLN 337 CO 0.11 0.25 0.02 -1.17 -0.55 0.00 0.00 175.29 173.95 2kdg s LEU 338 N -0.76 2.26 -1.03 3.68 2.96 -0.43 -1.44 118.68 123.92 2kdg s LEU 338 Ca 0.03 -1.28 -0.15 0.00 -0.22 0.00 0.00 54.13 52.51 2kdg s LEU 338 Cb -0.07 -0.97 0.17 0.00 0.50 0.00 0.00 46.19 45.83 2kdg s LEU 338 CO 0.00 -0.31 1.19 -0.62 -1.32 0.00 0.00 176.35 175.29 2kdg s ASP 339 N 1.55 6.87 -0.35 3.68 2.15 -0.16 -1.42 116.67 128.98 2kdg s ASP 339 Ca 0.01 -2.61 -0.29 0.00 0.43 0.00 0.00 52.55 50.09 2kdg s ASP 339 Cb -0.18 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 2kdg s ASP 339 CO -0.12 -0.81 1.68 -0.69 -0.17 0.00 0.00 175.17 175.05 2kdg s VAL 340 N 1.58 3.61 -0.72 1.11 1.01 -1.26 -2.71 120.40 123.02 2kdg s VAL 340 Ca 0.34 0.62 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 2kdg s VAL 340 Cb -0.05 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2kdg s VAL 340 CO -0.06 -0.52 1.55 -0.76 0.00 0.00 0.00 175.10 175.32 2kdg s LEU 341 N 6.39 3.23 0.49 3.92 1.43 0.08 -4.79 118.68 129.43 2kdg s LEU 341 Ca 0.74 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2kdg s LEU 341 Cb -0.20 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 2kdg s LEU 341 CO 0.33 -2.08 1.39 0.00 0.23 0.00 0.00 176.35 176.23 2kdg s ALA 342 N 7.23 3.04 0.03 4.21 0.00 -1.26 -1.14 121.76 133.87 2kdg s ALA 342 Ca 0.50 1.40 0.19 0.00 0.00 0.00 0.00 51.96 54.05 2kdg s ALA 342 Cb -0.09 -3.58 0.50 0.00 0.00 0.00 0.00 23.12 19.95 2kdg s ALA 342 CO 0.15 -1.27 1.64 -0.22 0.00 0.00 0.00 175.76 176.06 2kdg h LYS 343 N 1.92 0.00 0.00 0.00 3.64 -1.95 -3.46 116.57 116.73 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 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kdg h LYS 343 CO 0.59 0.38 0.00 0.39 -2.27 0.00 0.00 179.45 178.55