#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 2.22 0.31 4.61 0.00 -1.26 -5.07 121.76 122.57 2kdg s ALA -3 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 2kdg s ALA -3 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2kdg s ALA -3 CO 0.00 -1.72 0.53 0.00 0.00 0.00 0.00 175.76 174.57 2kdg s MET -2 N -3.84 1.82 -0.07 0.00 0.23 -1.26 -5.04 119.30 111.14 2kdg s MET -2 Ca 0.74 -1.49 -0.32 0.00 -1.03 0.00 0.00 55.69 53.60 2kdg s MET -2 Cb -0.29 0.49 0.14 0.00 -1.53 0.00 0.00 34.83 33.64 2kdg s MET -2 CO 0.43 -0.77 1.39 0.20 -2.03 0.00 0.00 175.02 174.24 2kdg s GLY -1 N -3.12 -0.44 0.78 3.16 0.00 -0.48 -4.95 107.32 102.27 2kdg s GLY -1 Ca 0.24 0.79 -0.11 0.00 0.00 0.00 0.00 44.72 45.65 2kdg s GLY -1 CO 0.14 0.90 1.08 2.56 0.00 0.00 0.00 173.10 177.78 2kdg s PRO 249 N -2.13 2.26 0.84 2.90 0.04 -1.26 -1.14 135.00 136.51 2kdg s PRO 249 Ca 0.17 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 2kdg s PRO 249 Cb 0.06 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.77 2kdg s PRO 249 CO -0.05 -1.54 1.10 -1.25 0.04 0.00 0.00 177.00 175.30 2kdg s PRO 250 N -5.07 1.73 0.04 0.56 0.04 -1.26 -3.71 135.00 127.34 2kdg s PRO 250 Ca 0.60 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 2kdg s PRO 250 Cb -0.15 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2kdg s PRO 250 CO 0.55 -2.02 0.13 0.50 0.04 0.00 0.00 177.00 176.20 2kdg s ARG 251 N -4.84 0.64 -1.16 4.56 3.52 -1.26 -4.72 118.95 115.69 2kdg s ARG 251 Ca 0.63 -0.76 -0.21 0.00 -0.13 0.00 0.00 55.73 55.26 2kdg s ARG 251 Cb -0.19 0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 2kdg s ARG 251 CO 0.57 -0.17 1.79 -0.06 -0.81 0.00 0.00 175.30 176.61 2kdg s PHE 252 N -2.77 2.33 -0.03 5.12 0.40 -1.26 -4.31 117.98 117.45 2kdg s PHE 252 Ca -0.04 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 2kdg s PHE 252 Cb -0.00 -4.40 -0.00 0.00 0.51 0.00 0.00 43.02 39.13 2kdg s PHE 252 CO -0.05 -1.61 0.05 0.82 0.70 0.00 0.00 175.22 175.13 2kdg h ILE 253 N 6.20 0.00 -2.35 0.64 1.08 -1.96 -3.49 117.51 117.63 2kdg h ILE 253 Ca 0.28 -0.35 -0.08 0.00 -0.39 0.00 0.00 64.86 64.32 2kdg h ILE 253 Cb 0.93 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.48 2kdg h ILE 253 CO 1.34 0.00 0.00 -1.58 -0.69 0.00 0.00 178.15 177.22 2kdg s GLN 254 N -1.33 0.82 0.10 2.37 0.74 -1.24 -5.02 119.66 116.10 2kdg s GLN 254 Ca -0.00 0.39 0.07 0.00 0.05 0.00 0.00 55.36 55.87 2kdg s GLN 254 Cb 0.00 0.39 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 2kdg s GLN 254 CO 0.01 -0.20 -0.18 0.14 -0.55 0.00 0.00 175.29 174.52 2kdg s VAL 255 N -0.60 1.47 0.68 1.34 -7.23 -1.26 -2.43 120.40 112.37 2kdg s VAL 255 Ca -0.07 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2kdg s VAL 255 Cb -0.03 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2kdg s VAL 255 CO 0.05 -0.18 1.07 -2.16 -0.31 0.00 0.00 175.10 173.57 2kdg s PRO 256 N -2.01 2.91 0.95 4.82 0.04 -1.26 -5.06 135.00 135.39 2kdg s PRO 256 Ca 0.04 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 2kdg s PRO 256 Cb -0.09 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.63 2kdg s PRO 256 CO 0.04 -1.13 1.13 -1.21 0.04 0.00 0.00 177.00 175.87 2kdg s GLU 257 N -4.66 0.83 0.79 4.56 2.02 -1.26 -4.83 118.70 116.14 2kdg s GLU 257 Ca 0.61 0.29 -0.14 0.00 0.02 0.00 0.00 54.97 55.75 2kdg s GLU 257 Cb -0.16 -1.80 0.07 0.00 0.10 0.00 0.00 34.13 32.34 2kdg s GLU 257 CO 0.49 -2.41 1.22 0.27 0.02 0.00 0.00 175.26 174.85 2kdg n ASN 258 N -3.91 1.18 -4.22 -0.19 6.94 -1.26 -4.75 115.26 109.04 2kdg n ASN 258 Ca 0.07 0.62 -0.13 0.00 -0.02 0.00 0.00 54.58 55.11 2kdg n ASN 258 Cb 0.59 -1.52 -0.10 0.00 -2.36 0.00 0.00 39.78 36.39 2kdg n ASN 258 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2kdg s MET 259 N -4.03 0.98 -0.06 -3.83 -1.94 -0.16 -4.99 119.30 105.28 2kdg s MET 259 Ca 0.75 -1.39 -0.02 0.00 -1.71 0.00 0.00 55.69 53.31 2kdg s MET 259 Cb -0.30 -0.52 0.04 0.00 2.01 0.00 0.00 34.83 36.06 2kdg s MET 259 CO 0.49 0.05 0.12 -1.54 -0.01 0.00 0.00 175.02 174.14 2kdg s SER 260 N -3.05 0.12 -0.04 3.03 1.04 -1.26 -0.96 113.70 112.58 2kdg s SER 260 Ca 0.14 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.82 2kdg s SER 260 Cb 0.03 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2kdg s SER 260 CO -0.01 -0.16 -0.06 -0.63 0.98 0.00 0.00 173.24 173.36 2kdg s ILE 261 N 1.37 0.61 0.17 -1.02 -1.09 -1.19 -4.96 121.20 115.09 2kdg s ILE 261 Ca -0.07 -0.21 -0.32 0.00 -2.23 0.00 0.00 60.65 57.83 2kdg s ILE 261 Cb -0.12 -0.60 -0.11 0.00 -1.58 0.00 0.00 42.46 40.05 2kdg s ILE 261 CO -0.05 0.23 1.69 -0.62 -1.23 0.00 0.00 174.94 174.95 2kdg s ASP 262 N 0.64 6.46 0.17 3.58 2.15 -1.26 -0.72 116.67 127.69 2kdg s ASP 262 Ca -0.09 2.75 -0.33 0.00 0.43 0.00 0.00 52.55 55.31 2kdg s ASP 262 Cb -0.12 -2.59 -0.15 0.00 -0.30 0.00 0.00 42.92 39.76 2kdg s ASP 262 CO 0.01 -0.93 1.33 1.21 -0.17 0.00 0.00 175.17 176.62 2kdg n GLU 263 N 4.38 1.57 -0.04 4.34 2.13 -0.39 -2.75 120.64 129.87 2kdg n GLU 263 Ca 0.16 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2kdg n GLU 263 Cb 0.37 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 2.38 1.35 3.77 8.31 0.00 0.21 -4.94 105.19 116.28 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 -0.53 2.26 0.26 1.61 0.52 -1.11 -4.54 118.95 117.43 2kdg s ARG 265 Ca 0.00 1.13 -0.29 0.00 -0.52 0.00 0.00 55.73 56.05 2kdg s ARG 265 Cb 0.00 -1.90 -0.09 0.00 0.52 0.00 0.00 34.95 33.48 2kdg s ARG 265 CO 0.00 -1.63 1.14 0.12 0.02 0.00 0.00 175.30 174.95 2kdg s PHE 266 N -2.92 3.49 0.28 -0.53 2.19 -1.23 -2.49 117.98 116.77 2kdg s PHE 266 Ca 0.61 1.61 -0.11 0.00 0.33 0.00 0.00 56.93 59.38 2kdg s PHE 266 Cb -0.17 -3.36 0.00 0.00 -1.31 0.00 0.00 43.02 38.19 2kdg s PHE 266 CO 0.56 -0.82 0.49 0.00 1.83 0.00 0.00 175.22 177.28 2kdg s ARG 268 N -3.70 1.56 0.10 0.00 1.70 -1.26 -0.81 118.95 116.54 2kdg s ARG 268 Ca 0.24 -1.45 0.04 0.00 -0.47 0.00 0.00 55.73 54.09 2kdg s ARG 268 Cb -0.01 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 2kdg s ARG 268 CO 0.12 -0.62 -0.11 -1.64 -1.08 0.00 0.00 175.30 171.96 2kdg s MET 269 N -3.82 0.89 -0.28 3.89 -1.94 0.21 -5.00 119.30 113.25 2kdg s MET 269 Ca 0.28 -1.17 -0.02 0.00 -1.71 0.00 0.00 55.69 53.07 2kdg s MET 269 Cb 0.01 -0.63 0.09 0.00 2.01 0.00 0.00 34.83 36.31 2kdg s MET 269 CO 0.12 0.11 0.10 0.16 -0.01 0.00 0.00 175.02 175.49 2kdg s ASP 270 N -2.42 3.64 -0.39 3.03 -4.77 -1.26 -2.28 116.67 112.23 2kdg s ASP 270 Ca 0.06 -1.36 -0.08 0.00 -3.30 0.00 0.00 52.55 47.87 2kdg s ASP 270 Cb -0.04 -0.65 0.06 0.00 -1.09 0.00 0.00 42.92 41.21 2kdg s ASP 270 CO 0.01 -0.40 0.20 -0.36 0.70 0.00 0.00 175.17 175.32 2kdg s PHE 271 N 1.82 3.32 0.19 2.11 0.40 -0.65 -4.28 117.98 120.88 2kdg s PHE 271 Ca 0.07 -1.51 -0.31 0.00 -0.60 0.00 0.00 56.93 54.58 2kdg s PHE 271 Cb -0.17 -2.70 -0.10 0.00 0.51 0.00 0.00 43.02 40.56 2kdg s PHE 271 CO -0.25 -0.80 1.49 0.15 0.70 0.00 0.00 175.22 176.51 2kdg s LYS 272 N 1.41 4.25 0.06 0.44 1.02 -1.02 -0.78 119.74 125.12 2kdg s LYS 272 Ca 0.02 2.29 0.01 0.00 0.02 0.00 0.00 55.97 58.31 2kdg s LYS 272 Cb -0.21 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2kdg s LYS 272 CO 0.02 -0.51 -0.06 0.54 -0.92 0.00 0.00 175.35 174.43 2kdg s VAL 273 N 0.70 0.49 0.03 3.17 0.11 -0.27 -3.71 120.40 120.91 2kdg s VAL 273 Ca 0.65 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 2kdg s VAL 273 Cb -0.42 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.25 2kdg s VAL 273 CO 0.35 -0.71 0.03 -0.24 -3.33 0.00 0.00 175.10 171.20 2kdg n SER 274 N 0.61 -0.08 0.00 3.54 2.88 -1.26 -4.52 113.62 114.79 2kdg n SER 274 Ca -0.17 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2kdg n SER 274 Cb 0.58 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 -0.05 0.52 3.07 0.46 0.00 -1.24 -4.19 105.19 103.76 2kdg n GLY 275 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.40 0.45 1.07 0.99 2.96 -0.29 -4.44 118.68 118.02 2kdg s LEU 276 Ca 0.00 0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 2kdg s LEU 276 Cb 0.00 0.78 0.23 0.00 0.50 0.00 0.00 46.19 47.69 2kdg s LEU 276 CO 0.00 -0.16 1.07 -2.16 -1.32 0.00 0.00 176.35 173.78 2kdg s PRO 277 N 1.16 -0.12 0.02 0.98 0.04 -1.26 -1.38 135.00 134.43 2kdg s PRO 277 Ca -0.08 0.58 -0.33 0.00 0.04 0.00 0.00 61.00 61.20 2kdg s PRO 277 Cb -0.09 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 2kdg s PRO 277 CO -0.08 -3.12 1.80 0.00 0.04 0.00 0.00 177.00 175.64 2kdg n ALA 278 N -4.46 1.21 -1.76 8.56 0.00 -1.26 -4.85 120.51 117.96 2kdg n ALA 278 Ca 0.04 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 2kdg n ALA 278 Cb 0.56 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 3.04 3.44 -0.15 0.00 0.04 -1.26 -4.94 135.00 135.16 2kdg s PRO 279 Ca 0.87 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 2kdg s PRO 279 Cb -0.65 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2kdg s PRO 279 CO 0.45 -0.76 1.61 0.34 0.04 0.00 0.00 177.00 178.68 2kdg s ASP 280 N -1.94 6.53 -0.67 6.66 2.15 0.23 -4.78 116.67 124.85 2kdg s ASP 280 Ca 0.70 1.87 -0.00 0.00 0.43 0.00 0.00 52.55 55.55 2kdg s ASP 280 Cb -0.21 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.04 2kdg s ASP 280 CO 0.26 -1.09 0.48 0.68 -0.17 0.00 0.00 175.17 175.33 2kdg s VAL 281 N 4.65 3.50 0.68 1.11 -7.23 -1.26 -0.98 120.40 120.87 2kdg s VAL 281 Ca 0.71 -3.42 -0.13 0.00 -1.81 0.00 0.00 61.98 57.33 2kdg s VAL 281 Cb -0.28 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.39 2kdg s VAL 281 CO 0.28 -0.92 1.08 -0.44 -0.31 0.00 0.00 175.10 174.78 2kdg s SER 282 N -0.01 5.20 0.11 4.85 0.01 -0.87 -4.87 113.70 118.12 2kdg s SER 282 Ca 0.20 1.81 0.05 0.00 1.31 0.00 0.00 55.95 59.32 2kdg s SER 282 Cb -0.16 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2kdg s SER 282 CO -0.06 -1.56 -0.12 0.26 0.41 0.00 0.00 173.24 172.16 2kdg s TRP 283 N -2.70 1.23 0.08 2.43 0.52 -1.25 -1.30 118.94 117.95 2kdg s TRP 283 Ca 0.62 -0.61 -0.08 0.00 0.02 0.00 0.00 56.10 56.05 2kdg s TRP 283 Cb -0.17 -0.65 -0.00 0.00 -1.15 0.00 0.00 33.47 31.49 2kdg s TRP 283 CO 0.47 0.07 0.17 0.71 0.02 0.00 0.00 176.95 178.40 2kdg s TYR 284 N -2.36 0.18 -0.14 -1.98 1.51 -0.01 -0.95 117.35 113.61 2kdg s TYR 284 Ca 0.08 -0.60 -0.05 0.00 -1.01 0.00 0.00 57.07 55.49 2kdg s TYR 284 Cb -0.03 -0.09 0.06 0.00 -0.11 0.00 0.00 41.96 41.79 2kdg s TYR 284 CO 0.01 -0.52 0.28 -1.17 -1.11 0.00 0.00 175.55 173.05 2kdg s LEU 285 N -2.79 -0.25 -1.16 -1.29 2.96 0.03 -1.36 118.68 114.83 2kdg s LEU 285 Ca 0.04 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 2kdg s LEU 285 Cb 0.05 0.80 0.00 0.00 0.50 0.00 0.00 46.19 47.54 2kdg s LEU 285 CO -0.10 -0.23 0.00 0.59 -1.32 0.00 0.00 176.35 175.29 2kdg n ASN 286 N 5.18 -4.01 0.00 3.68 3.02 -0.39 -1.49 115.26 121.25 2kdg n ASN 286 Ca -0.09 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2kdg n ASN 286 Cb 0.50 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 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 -0.02 0.48 3.97 7.41 0.00 -1.26 -5.07 105.19 110.69 2kdg n GLY 287 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.73 3.35 0.67 1.61 0.52 -0.55 -5.12 118.95 118.70 2kdg s ARG 288 Ca 0.00 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.38 2kdg s ARG 288 Cb 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.68 2kdg s ARG 288 CO 0.00 0.23 1.09 0.95 0.02 0.00 0.00 175.30 177.59 2kdg s THR 289 N -2.14 3.51 0.00 0.02 -4.23 -1.26 -0.79 115.64 110.75 2kdg s THR 289 Ca 0.39 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 2kdg s THR 289 Cb -0.09 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2kdg s THR 289 CO 0.32 -0.51 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.12 2kdg s VAL 290 N -2.59 0.61 0.23 2.29 1.01 -0.12 -4.63 120.40 117.20 2kdg s VAL 290 Ca 0.64 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2kdg s VAL 290 Cb -0.18 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2kdg s VAL 290 CO 0.45 0.07 -0.11 -1.10 0.00 0.00 0.00 175.10 174.42 2kdg s GLN 291 N -0.44 1.42 0.56 2.72 -0.21 -1.26 -3.91 119.66 118.54 2kdg s GLN 291 Ca 0.01 -1.67 -0.19 0.00 0.02 0.00 0.00 55.36 53.53 2kdg s GLN 291 Cb -0.04 -1.14 -0.05 0.00 1.00 0.00 0.00 33.01 32.78 2kdg s GLN 291 CO -0.00 0.13 1.15 -1.54 -2.12 0.00 0.00 175.29 172.91 2kdg s SER 292 N -3.37 5.54 0.22 5.90 1.04 -1.26 -4.95 113.70 116.82 2kdg s SER 292 Ca 0.25 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.78 2kdg s SER 292 Cb 0.01 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.55 2kdg s SER 292 CO 0.09 -1.34 0.47 -0.62 0.98 0.00 0.00 173.24 172.82 2kdg s ASP 293 N -1.74 -0.13 0.41 7.02 2.15 -0.62 -4.96 116.67 118.80 2kdg s ASP 293 Ca 0.74 -0.77 0.12 0.00 0.43 0.00 0.00 52.55 53.07 2kdg s ASP 293 Cb -0.26 0.57 0.95 0.00 -0.30 0.00 0.00 42.92 43.88 2kdg s ASP 293 CO 0.29 -1.09 1.96 -0.78 -0.17 0.00 0.00 175.17 175.39 2kdg h ASP 294 N 2.27 0.46 0.88 -0.34 3.58 -2.01 -1.65 116.42 119.61 2kdg h ASP 294 Ca -0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2kdg h ASP 294 Cb 1.25 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2kdg h ASP 294 CO 0.37 0.27 -0.41 0.18 -2.88 0.00 0.00 179.24 176.77 2kdg n LEU 295 N -4.48 0.57 -3.26 2.28 4.77 -1.26 -4.58 117.00 111.04 2kdg n LEU 295 Ca 0.11 0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 56.10 2kdg n LEU 295 Cb 0.36 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2kdg n LEU 295 CO 0.33 -0.02 -0.24 1.41 -1.33 0.00 0.00 177.39 177.55 2kdg n HIS 296 N -1.89 0.30 -2.35 -1.77 8.25 -0.63 -0.97 115.22 116.16 2kdg n HIS 296 Ca 0.05 -3.65 -0.38 0.00 -0.26 0.00 0.00 57.72 53.48 2kdg n HIS 296 Cb 0.40 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.29 4.04 -0.24 -0.41 1.02 -1.15 -1.59 119.74 120.12 2kdg s LYS 297 Ca 0.35 1.75 -0.04 0.00 0.02 0.00 0.00 55.97 58.06 2kdg s LYS 297 Cb 0.15 -2.61 0.08 0.00 -0.52 0.00 0.00 37.83 34.93 2kdg s LYS 297 CO -0.10 -0.31 0.09 -1.64 -0.92 0.00 0.00 175.35 172.48 2kdg s MET 298 N -2.39 0.32 0.08 1.68 -1.94 -1.26 -1.72 119.30 114.06 2kdg s MET 298 Ca 0.58 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 2kdg s MET 298 Cb -0.28 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2kdg s MET 298 CO 0.35 -0.84 -0.07 0.96 -0.01 0.00 0.00 175.02 175.42 2kdg s ILE 299 N 1.99 0.60 -0.24 2.53 -0.00 -0.97 -5.05 121.20 120.08 2kdg s ILE 299 Ca 0.05 -1.68 -0.01 0.00 -0.00 0.00 0.00 60.65 59.02 2kdg s ILE 299 Cb -0.16 -1.36 0.07 0.00 -0.00 0.00 0.00 42.46 41.01 2kdg s ILE 299 CO -0.21 -0.75 0.00 0.68 -0.00 0.00 0.00 174.94 174.66 2kdg s VAL 300 N -3.01 1.10 0.40 8.37 -7.23 -1.26 -1.11 120.40 117.66 2kdg s VAL 300 Ca 0.05 -1.05 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 2kdg s VAL 300 Cb 0.01 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 2kdg s VAL 300 CO -0.04 -0.24 1.33 -0.55 -0.31 0.00 0.00 175.10 175.29 2kdg s SER 301 N 1.58 6.31 0.56 4.85 0.15 -0.18 -4.93 113.70 122.04 2kdg s SER 301 Ca -0.01 2.72 0.38 0.00 0.70 0.00 0.00 55.95 59.74 2kdg s SER 301 Cb -0.18 -2.64 2.06 0.00 -1.71 0.00 0.00 66.02 63.55 2kdg s SER 301 CO -0.10 -0.86 2.16 1.05 1.20 0.00 0.00 173.24 176.70 2kdg h GLU 302 N 2.73 0.00 0.00 5.44 4.11 -2.01 -1.54 114.58 123.32 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 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kdg h GLU 302 CO 0.63 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.34 2kdg n LYS 303 N -2.83 0.56 -1.22 1.06 4.76 -1.26 -4.92 118.16 114.30 2kdg n LYS 303 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kdg n LYS 303 Cb 0.06 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 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 0.89 0.69 2.73 0.72 0.00 -0.58 -4.99 105.19 104.65 2kdg n GLY 304 Ca 0.16 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.86 1.30 -0.50 0.99 1.98 -1.22 -1.12 118.68 119.25 2kdg s LEU 305 Ca 0.00 -0.95 -0.26 0.00 -2.89 0.00 0.00 54.13 50.02 2kdg s LEU 305 Cb 0.00 -0.62 0.03 0.00 0.66 0.00 0.00 46.19 46.26 2kdg s LEU 305 CO 0.00 -0.33 1.02 -2.28 -1.89 0.00 0.00 176.35 172.88 2kdg s HIS 306 N 1.83 2.82 0.07 5.38 5.65 0.04 -1.01 115.29 130.08 2kdg s HIS 306 Ca 0.01 0.40 -0.25 0.00 0.25 0.00 0.00 55.06 55.47 2kdg s HIS 306 Cb -0.17 -4.19 -0.06 0.00 -1.18 0.00 0.00 32.58 26.98 2kdg s HIS 306 CO -0.11 -1.26 0.75 -1.12 -0.65 0.00 0.00 174.74 172.34 2kdg s SER 307 N 2.52 7.24 -0.13 9.88 0.01 -0.27 -1.64 113.70 131.31 2kdg s SER 307 Ca 0.39 1.47 -0.00 0.00 1.31 0.00 0.00 55.95 59.12 2kdg s SER 307 Cb -0.09 -2.46 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2kdg s SER 307 CO 0.26 0.08 -0.08 -0.22 0.41 0.00 0.00 173.24 173.69 2kdg s LEU 308 N -0.38 1.33 0.16 2.44 1.98 -0.97 -2.28 118.68 120.96 2kdg s LEU 308 Ca 0.37 -0.39 0.10 0.00 -2.89 0.00 0.00 54.13 51.32 2kdg s LEU 308 Cb -0.21 -0.91 -0.04 0.00 0.66 0.00 0.00 46.19 45.69 2kdg s LEU 308 CO 0.23 -0.12 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.78 2kdg s ILE 309 N 1.66 2.82 -0.24 6.68 1.01 -0.70 -0.62 121.20 131.81 2kdg s ILE 309 Ca 0.04 -1.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.00 2kdg s ILE 309 Cb -0.13 -2.34 0.07 0.00 0.01 0.00 0.00 42.46 40.07 2kdg s ILE 309 CO -0.09 -0.02 0.01 -0.36 0.00 0.00 0.00 174.94 174.48 2kdg s PHE 310 N -1.44 1.89 0.21 3.97 0.40 0.01 -3.63 117.98 119.38 2kdg s PHE 310 Ca 0.21 -1.51 -0.05 0.00 -0.60 0.00 0.00 56.93 54.98 2kdg s PHE 310 Cb -0.09 -1.47 0.18 0.00 0.51 0.00 0.00 43.02 42.15 2kdg s PHE 310 CO 0.11 -0.74 1.65 0.93 0.70 0.00 0.00 175.22 177.87 2kdg h GLU 311 N 8.06 0.84 -1.59 0.44 4.39 -1.31 -1.28 114.58 124.14 2kdg h GLU 311 Ca -0.16 -0.31 -0.31 0.00 0.34 0.00 0.00 59.36 58.93 2kdg h GLU 311 Cb 1.08 -0.06 -0.26 0.00 -0.10 0.00 0.00 28.75 29.41 2kdg h GLU 311 CO 0.40 0.93 -0.66 0.54 -1.16 0.00 0.00 179.01 179.06 2kdg s VAL 312 N -4.75 -0.49 0.41 3.13 0.11 -1.25 -3.49 120.40 114.08 2kdg s VAL 312 Ca -0.10 -1.31 -0.25 0.00 -2.93 0.00 0.00 61.98 57.39 2kdg s VAL 312 Cb 0.13 -0.49 -0.08 0.00 -1.53 0.00 0.00 36.38 34.41 2kdg s VAL 312 CO 0.84 -0.47 1.22 0.54 -3.33 0.00 0.00 175.10 173.90 2kdg s VAL 313 N 0.91 2.93 0.25 2.04 0.11 -1.04 -4.81 120.40 120.79 2kdg s VAL 313 Ca 0.26 0.79 0.07 0.00 -2.93 0.00 0.00 61.98 60.16 2kdg s VAL 313 Cb -0.03 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.32 2kdg s VAL 313 CO -0.08 0.08 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.55 2kdg s ARG 314 N -2.34 1.48 0.50 1.54 1.81 -1.26 -0.61 118.95 120.07 2kdg s ARG 314 Ca 0.58 -1.72 0.19 0.00 -1.72 0.00 0.00 55.73 53.06 2kdg s ARG 314 Cb -0.33 -1.13 1.26 0.00 -0.45 0.00 0.00 34.95 34.30 2kdg s ARG 314 CO 0.42 0.08 2.06 0.00 -0.68 0.00 0.00 175.30 177.17 2kdg h ALA 315 N 2.37 2.19 0.00 2.13 0.00 -1.95 -0.68 119.26 123.31 2kdg h ALA 315 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kdg h ALA 315 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kdg h ALA 315 CO 0.65 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.29 2kdg h SER 316 N 0.10 0.00 0.51 0.00 4.64 -1.97 -2.90 113.55 113.93 2kdg h SER 316 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2kdg h SER 316 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2kdg h SER 316 CO -0.02 0.00 -0.08 0.47 -0.87 0.00 0.00 176.83 176.33 2kdg n ASP 317 N -2.55 0.25 -4.75 4.97 8.00 -0.26 -4.93 116.55 117.27 2kdg n ASP 317 Ca 0.01 -0.28 -0.35 0.00 0.71 0.00 0.00 54.79 54.88 2kdg n ASP 317 Cb 0.21 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.60 2.45 0.00 2.24 0.00 -1.10 -4.93 121.76 117.83 2kdg s ALA 318 Ca 0.26 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2kdg s ALA 318 Cb 0.20 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2kdg s ALA 318 CO 0.49 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2kdg n GLY 319 N 0.19 0.73 3.53 0.00 0.00 -0.35 -4.98 105.19 104.32 2kdg n GLY 319 Ca 0.13 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.34 3.06 0.49 4.61 0.00 -1.26 -1.24 121.76 126.08 2kdg s ALA 320 Ca 0.00 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 2kdg s ALA 320 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 2kdg s ALA 320 CO 0.00 -2.61 0.97 0.71 0.00 0.00 0.00 175.76 174.83 2kdg s TYR 321 N 4.46 3.41 0.07 0.00 2.02 0.04 -1.26 117.35 126.08 2kdg s TYR 321 Ca 0.34 1.51 -0.04 0.00 -0.37 0.00 0.00 57.07 58.50 2kdg s TYR 321 Cb -0.11 -2.81 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2kdg s TYR 321 CO 0.19 -0.29 0.06 0.00 -1.57 0.00 0.00 175.55 173.95 2kdg s ALA 322 N -2.49 0.20 0.03 3.71 0.00 -0.46 -1.74 121.76 121.00 2kdg s ALA 322 Ca 0.60 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2kdg s ALA 322 Cb -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2kdg s ALA 322 CO 0.26 -0.43 -0.11 0.00 0.00 0.00 0.00 175.76 175.48 2kdg s VAL 324 N -0.79 1.08 -0.14 0.00 1.01 -0.42 -0.96 120.40 120.18 2kdg s VAL 324 Ca -0.01 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 2kdg s VAL 324 Cb -0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2kdg s VAL 324 CO 0.01 -0.56 0.78 0.00 0.00 0.00 0.00 175.10 175.32 2kdg s ALA 325 N 1.53 3.46 -0.05 5.51 0.00 -0.21 -2.05 121.76 129.95 2kdg s ALA 325 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2kdg s ALA 325 Cb -0.18 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.83 2kdg s ALA 325 CO -0.19 -0.49 -0.09 0.15 0.00 0.00 0.00 175.76 175.14 2kdg s LYS 326 N 1.74 1.19 0.33 0.00 1.02 -0.15 -0.98 119.74 122.89 2kdg s LYS 326 Ca 0.37 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.14 2kdg s LYS 326 Cb -0.17 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2kdg s LYS 326 CO 0.14 0.02 0.23 0.27 -0.92 0.00 0.00 175.35 175.09 2kdg n ASN 327 N 3.72 -0.09 0.15 2.83 0.23 -0.45 -0.60 115.26 121.05 2kdg n ASN 327 Ca -0.22 -3.06 0.10 0.00 -0.53 0.00 0.00 54.58 50.87 2kdg n ASN 327 Cb 0.52 1.39 0.53 0.00 -2.08 0.00 0.00 39.78 40.14 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 -0.68 0.13 -0.00 -3.83 1.85 -1.26 -2.50 116.66 110.36 2kdg n ARG 328 Ca 0.03 0.62 0.06 0.00 -1.00 0.00 0.00 57.85 57.57 2kdg n ARG 328 Cb 0.57 -1.93 -0.09 0.00 -1.05 0.00 0.00 32.46 29.97 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 -1.75 3.04 0.00 2.89 0.00 -1.26 -5.09 120.51 118.35 2kdg n ALA 329 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2kdg n ALA 329 Cb 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.54 -1.66 3.05 0.00 0.00 -1.04 -4.55 105.19 102.53 2kdg n GLY 330 Ca -0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.52 0.58 0.05 1.61 2.12 -1.26 -1.34 118.70 118.93 2kdg s GLU 331 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2kdg s GLU 331 Cb 0.00 -0.44 -0.03 0.00 0.26 0.00 0.00 34.13 33.92 2kdg s GLU 331 CO 0.00 0.10 -0.05 0.00 -0.54 0.00 0.00 175.26 174.77 2kdg s ALA 332 N -1.00 0.55 -0.03 6.30 0.00 -0.15 -4.86 121.76 122.57 2kdg s ALA 332 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2kdg s ALA 332 Cb -0.08 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2kdg s ALA 332 CO 0.00 -0.23 -0.04 0.99 0.00 0.00 0.00 175.76 176.49 2kdg s THR 333 N -2.83 0.44 0.18 0.00 2.01 -1.26 -1.05 115.64 113.12 2kdg s THR 333 Ca -0.00 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 61.98 2kdg s THR 333 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2kdg s THR 333 CO -0.05 0.19 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.55 2kdg s PHE 334 N 0.76 1.73 -0.03 4.92 0.08 -0.13 -4.99 117.98 120.31 2kdg s PHE 334 Ca -0.09 -0.52 -0.09 0.00 0.12 0.00 0.00 56.93 56.35 2kdg s PHE 334 Cb -0.12 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 2kdg s PHE 334 CO -0.00 0.32 0.20 0.99 -0.10 0.00 0.00 175.22 176.63 2kdg s THR 335 N -2.46 0.05 0.19 0.64 2.01 -1.26 -1.06 115.64 113.75 2kdg s THR 335 Ca 0.18 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 2kdg s THR 335 Cb -0.03 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.06 2kdg s THR 335 CO 0.06 -0.22 0.44 0.54 -0.69 0.00 0.00 174.62 174.75 2kdg s VAL 336 N -0.83 0.04 -0.02 3.82 0.11 -0.71 -4.79 120.40 118.01 2kdg s VAL 336 Ca -0.09 -1.10 0.05 0.00 -2.93 0.00 0.00 61.98 57.92 2kdg s VAL 336 Cb -0.05 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 2kdg s VAL 336 CO 0.02 -0.16 -0.18 -1.58 -3.33 0.00 0.00 175.10 169.87 2kdg s GLN 337 N -3.93 1.50 -0.20 1.54 0.74 -1.26 -0.78 119.66 117.26 2kdg s GLN 337 Ca 0.14 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.92 2kdg s GLN 337 Cb 0.00 -1.42 0.05 0.00 1.10 0.00 0.00 33.01 32.74 2kdg s GLN 337 CO 0.00 0.36 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.87 2kdg s LEU 338 N -0.34 2.11 -0.98 3.68 2.96 -0.37 -0.99 118.68 124.75 2kdg s LEU 338 Ca 0.05 -0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 2kdg s LEU 338 Cb -0.08 -1.08 0.24 0.00 0.50 0.00 0.00 46.19 45.77 2kdg s LEU 338 CO -0.00 -0.19 0.97 -0.62 -1.32 0.00 0.00 176.35 175.19 2kdg s ASP 339 N 1.49 7.02 -0.20 3.68 2.15 -0.14 -1.21 116.67 129.47 2kdg s ASP 339 Ca -0.02 -3.07 -0.29 0.00 0.43 0.00 0.00 52.55 49.60 2kdg s ASP 339 Cb -0.17 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2kdg s ASP 339 CO -0.07 -0.48 1.77 -0.69 -0.17 0.00 0.00 175.17 175.52 2kdg s VAL 340 N -0.26 3.49 -0.77 1.11 1.01 -1.26 -3.19 120.40 120.53 2kdg s VAL 340 Ca 0.26 0.54 -0.26 0.00 0.00 0.00 0.00 61.98 62.52 2kdg s VAL 340 Cb -0.09 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2kdg s VAL 340 CO -0.08 -0.23 1.40 -0.76 0.00 0.00 0.00 175.10 175.43 2kdg s LEU 341 N 5.76 3.23 0.81 3.92 1.43 0.10 -4.82 118.68 129.11 2kdg s LEU 341 Ca 0.79 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 2kdg s LEU 341 Cb -0.28 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.47 2kdg s LEU 341 CO 0.32 -1.89 1.14 0.00 0.23 0.00 0.00 176.35 176.15 2kdg s ALA 342 N 6.20 1.93 -0.04 4.21 0.00 -1.26 -1.27 121.76 131.54 2kdg s ALA 342 Ca 0.42 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.98 2kdg s ALA 342 Cb -0.07 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.75 2kdg s ALA 342 CO 0.12 -2.15 0.97 0.36 0.00 0.00 0.00 175.76 175.06 2kdg n LYS 343 N -3.56 0.79 0.00 0.00 2.85 -1.26 -4.87 118.16 112.12 2kdg n LYS 343 Ca 0.11 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.87 2kdg n LYS 343 Cb 0.52 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 34.01 2kdg n LYS 343 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50