#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 1.51 0.29 4.61 0.00 -1.26 -5.09 121.76 121.81 2kdg s ALA -3 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2kdg s ALA -3 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2kdg s ALA -3 CO 0.00 -2.50 0.42 0.00 0.00 0.00 0.00 175.76 173.68 2kdg s MET -2 N -4.76 1.67 -0.05 0.00 0.23 -1.26 -5.05 119.30 110.07 2kdg s MET -2 Ca 0.65 -1.57 -0.31 0.00 -1.03 0.00 0.00 55.69 53.43 2kdg s MET -2 Cb -0.20 0.42 0.12 0.00 -1.53 0.00 0.00 34.83 33.64 2kdg s MET -2 CO 0.58 -0.67 1.35 0.20 -2.03 0.00 0.00 175.02 174.45 2kdg s GLY -1 N -3.15 -0.37 0.82 3.16 0.00 -0.22 -4.99 107.32 102.57 2kdg s GLY -1 Ca 0.29 0.61 -0.11 0.00 0.00 0.00 0.00 44.72 45.51 2kdg s GLY -1 CO 0.15 1.98 1.09 2.56 0.00 0.00 0.00 173.10 178.89 2kdg s PRO 249 N -2.15 1.86 0.78 2.90 0.04 -1.26 -1.63 135.00 135.53 2kdg s PRO 249 Ca 0.19 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2kdg s PRO 249 Cb 0.04 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.79 2kdg s PRO 249 CO -0.04 -1.89 1.12 -1.25 0.04 0.00 0.00 177.00 174.97 2kdg s PRO 250 N -4.90 2.04 0.06 0.56 0.04 -1.26 -4.37 135.00 127.16 2kdg s PRO 250 Ca 0.62 1.34 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2kdg s PRO 250 Cb -0.18 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2kdg s PRO 250 CO 0.56 -1.83 -0.09 0.50 0.04 0.00 0.00 177.00 176.19 2kdg s ARG 251 N -4.64 0.62 -1.46 4.56 6.06 -0.93 -4.59 118.95 118.57 2kdg s ARG 251 Ca 0.64 -0.87 -0.12 0.00 -2.50 0.00 0.00 55.73 52.88 2kdg s ARG 251 Cb -0.20 -0.37 -0.03 0.00 0.06 0.00 0.00 34.95 34.42 2kdg s ARG 251 CO 0.53 0.06 2.51 1.19 -2.50 0.00 0.00 175.30 177.09 2kdg n PHE 252 N 1.22 2.87 0.34 5.12 3.01 -1.26 -4.18 117.46 124.58 2kdg n PHE 252 Ca -0.21 -2.91 -0.14 0.00 1.01 0.00 0.00 57.45 55.21 2kdg n PHE 252 Cb 0.55 -2.44 -0.06 0.00 -0.01 0.00 0.00 39.48 37.52 2kdg n PHE 252 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2kdg h ILE 253 N 3.59 0.00 -2.67 4.37 1.08 -1.96 -3.47 117.51 118.44 2kdg h ILE 253 Ca 0.68 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.94 2kdg h ILE 253 Cb 0.47 0.00 -0.20 0.00 -3.07 0.00 0.00 36.82 34.02 2kdg h ILE 253 CO 1.83 0.00 -0.12 -1.58 -0.69 0.00 0.00 178.15 177.59 2kdg s GLN 254 N -4.68 0.79 0.06 2.37 0.74 -1.24 -5.03 119.66 112.67 2kdg s GLN 254 Ca -0.13 -0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.30 2kdg s GLN 254 Cb 0.01 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 2kdg s GLN 254 CO 0.39 -0.23 -0.09 0.14 -0.55 0.00 0.00 175.29 174.94 2kdg s VAL 255 N -1.23 0.72 0.70 1.34 -7.23 -1.26 -3.85 120.40 109.59 2kdg s VAL 255 Ca -0.12 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 2kdg s VAL 255 Cb -0.03 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.06 2kdg s VAL 255 CO 0.06 -0.39 1.06 -2.16 -0.31 0.00 0.00 175.10 173.36 2kdg s PRO 256 N -1.87 2.91 0.92 4.82 0.04 -1.26 -5.10 135.00 135.47 2kdg s PRO 256 Ca -0.05 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 61.83 2kdg s PRO 256 Cb -0.08 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.62 2kdg s PRO 256 CO 0.01 -1.12 1.19 -1.21 0.04 0.00 0.00 177.00 175.91 2kdg s GLU 257 N -4.99 1.06 -0.41 4.56 2.02 -1.26 -4.80 118.70 114.88 2kdg s GLU 257 Ca 0.58 0.04 -0.35 0.00 0.02 0.00 0.00 54.97 55.26 2kdg s GLU 257 Cb -0.14 -1.85 -0.13 0.00 0.10 0.00 0.00 34.13 32.11 2kdg s GLU 257 CO 0.54 -2.20 2.23 0.27 0.02 0.00 0.00 175.26 176.12 2kdg n ASN 258 N -3.72 1.88 -4.86 -0.19 2.04 -1.26 -4.78 115.26 104.36 2kdg n ASN 258 Ca 0.10 0.38 -0.31 0.00 -0.44 0.00 0.00 54.58 54.30 2kdg n ASN 258 Cb 0.60 -1.22 -0.03 0.00 -2.53 0.00 0.00 39.78 36.60 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 6.47 3.82 -0.02 -3.83 -1.94 -0.06 -4.96 119.30 118.78 2kdg s MET 259 Ca 1.12 0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 55.82 2kdg s MET 259 Cb -0.91 -2.22 0.03 0.00 2.01 0.00 0.00 34.83 33.73 2kdg s MET 259 CO 0.50 -0.23 0.04 -1.54 -0.01 0.00 0.00 175.02 173.77 2kdg s SER 260 N -3.32 0.04 -0.03 3.03 1.04 -1.26 -1.06 113.70 112.14 2kdg s SER 260 Ca 0.55 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2kdg s SER 260 Cb -0.10 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.01 2kdg s SER 260 CO 0.35 -0.11 -0.01 -0.63 0.98 0.00 0.00 173.24 173.83 2kdg s ILE 261 N 0.89 0.25 0.14 -1.02 -1.09 -1.07 -4.98 121.20 114.32 2kdg s ILE 261 Ca -0.07 0.05 -0.31 0.00 -2.23 0.00 0.00 60.65 58.08 2kdg s ILE 261 Cb -0.11 -0.33 -0.10 0.00 -1.58 0.00 0.00 42.46 40.34 2kdg s ILE 261 CO -0.03 0.16 1.70 -0.62 -1.23 0.00 0.00 174.94 174.93 2kdg s ASP 262 N 1.03 6.49 0.23 3.58 2.15 -1.26 -0.73 116.67 128.15 2kdg s ASP 262 Ca -0.10 2.69 -0.31 0.00 0.43 0.00 0.00 52.55 55.26 2kdg s ASP 262 Cb -0.14 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 2kdg s ASP 262 CO -0.01 -0.93 1.32 1.21 -0.17 0.00 0.00 175.17 176.59 2kdg n GLU 263 N 4.80 1.77 0.00 4.34 2.13 -0.38 -2.91 120.64 130.38 2kdg n GLU 263 Ca 0.16 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.61 2kdg n GLU 263 Cb 0.38 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 2.04 1.07 3.85 8.31 0.00 -0.11 -4.86 105.19 115.49 2kdg n GLY 264 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.76 2.82 0.57 1.61 0.52 -1.15 -4.64 118.95 117.92 2kdg s ARG 265 Ca 0.00 0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 2kdg s ARG 265 Cb 0.00 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 2kdg s ARG 265 CO 0.00 -1.11 1.09 0.12 0.02 0.00 0.00 175.30 175.42 2kdg s PHE 266 N -3.20 2.79 0.06 -0.53 2.19 -1.25 -2.34 117.98 115.71 2kdg s PHE 266 Ca 0.58 1.55 -0.11 0.00 0.33 0.00 0.00 56.93 59.28 2kdg s PHE 266 Cb -0.13 -3.16 0.01 0.00 -1.31 0.00 0.00 43.02 38.43 2kdg s PHE 266 CO 0.54 -1.35 0.25 0.00 1.83 0.00 0.00 175.22 176.48 2kdg s ARG 268 N -3.05 0.45 0.16 0.00 1.70 -1.26 -0.77 118.95 116.17 2kdg s ARG 268 Ca -0.01 -0.20 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 2kdg s ARG 268 Cb 0.01 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.92 2kdg s ARG 268 CO -0.07 0.12 0.27 -1.64 -1.08 0.00 0.00 175.30 172.90 2kdg s MET 269 N -0.13 3.37 -0.06 3.89 -1.94 0.15 -4.99 119.30 119.59 2kdg s MET 269 Ca 0.02 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.33 2kdg s MET 269 Cb -0.02 -2.92 0.03 0.00 2.01 0.00 0.00 34.83 33.94 2kdg s MET 269 CO -0.00 0.51 0.06 -0.51 -0.01 0.00 0.00 175.02 175.07 2kdg s ASP 270 N -3.28 1.38 -0.24 3.03 1.01 -1.26 -2.41 116.67 114.89 2kdg s ASP 270 Ca 0.34 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.54 2kdg s ASP 270 Cb -0.11 -0.19 0.07 0.00 1.01 0.00 0.00 42.92 43.71 2kdg s ASP 270 CO 0.28 -0.26 0.03 -0.36 0.21 0.00 0.00 175.17 175.06 2kdg s PHE 271 N 2.15 1.75 0.10 4.23 0.08 -0.14 -4.57 117.98 121.57 2kdg s PHE 271 Ca 0.04 -1.46 -0.31 0.00 0.12 0.00 0.00 56.93 55.32 2kdg s PHE 271 Cb -0.13 -1.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 2kdg s PHE 271 CO -0.04 -0.75 1.55 0.15 -0.10 0.00 0.00 175.22 176.03 2kdg s LYS 272 N 1.61 4.23 -0.12 0.44 1.02 -1.25 -0.97 119.74 124.70 2kdg s LYS 272 Ca 0.01 2.26 -0.05 0.00 0.02 0.00 0.00 55.97 58.21 2kdg s LYS 272 Cb -0.18 -3.38 0.06 0.00 -0.52 0.00 0.00 37.83 33.81 2kdg s LYS 272 CO -0.12 -0.62 0.27 0.54 -0.92 0.00 0.00 175.35 174.49 2kdg s VAL 273 N 1.83 -0.22 -0.14 3.17 0.11 -0.33 -3.70 120.40 121.12 2kdg s VAL 273 Ca 0.70 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 2kdg s VAL 273 Cb -0.40 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2kdg s VAL 273 CO 0.31 0.09 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.72 2kdg s SER 274 N 1.81 2.40 0.24 3.54 0.01 -1.26 -4.43 113.70 116.02 2kdg s SER 274 Ca -0.04 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 56.49 2kdg s SER 274 Cb -0.11 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.51 2kdg s SER 274 CO -0.09 -0.23 0.78 -0.83 0.41 0.00 0.00 173.24 173.28 2kdg s GLY 275 N 1.83 -0.14 -0.08 3.44 0.00 -1.26 -2.19 107.32 108.92 2kdg s GLY 275 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 2kdg s GLY 275 CO -0.07 -0.06 0.16 -2.27 0.00 0.00 0.00 173.10 170.86 2kdg s LEU 276 N -2.92 0.32 1.03 0.66 2.96 -0.65 -4.16 118.68 115.92 2kdg s LEU 276 Ca 0.11 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.23 2kdg s LEU 276 Cb -0.05 0.35 0.21 0.00 0.50 0.00 0.00 46.19 47.20 2kdg s LEU 276 CO 0.05 -0.19 1.07 -2.16 -1.32 0.00 0.00 176.35 173.80 2kdg s PRO 277 N 1.71 0.17 -0.01 0.98 0.04 -1.26 -1.06 135.00 135.57 2kdg s PRO 277 Ca -0.03 0.78 -0.33 0.00 0.04 0.00 0.00 61.00 61.45 2kdg s PRO 277 Cb -0.12 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 2kdg s PRO 277 CO -0.06 -2.97 1.84 0.00 0.04 0.00 0.00 177.00 175.84 2kdg n ALA 278 N -4.38 1.16 -1.77 8.56 0.00 -1.26 -4.83 120.51 117.99 2kdg n ALA 278 Ca 0.05 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 2kdg n ALA 278 Cb 0.55 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 3.44 3.48 0.42 0.00 0.04 -1.26 -4.91 135.00 136.21 2kdg s PRO 279 Ca 0.89 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.39 2kdg s PRO 279 Cb -0.64 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 2kdg s PRO 279 CO 0.47 -0.76 1.12 0.34 0.04 0.00 0.00 177.00 178.21 2kdg s ASP 280 N -1.59 6.48 -0.01 6.66 2.15 -0.04 -4.79 116.67 125.52 2kdg s ASP 280 Ca 0.70 2.21 0.04 0.00 0.43 0.00 0.00 52.55 55.92 2kdg s ASP 280 Cb -0.26 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.75 2kdg s ASP 280 CO 0.30 -0.70 -0.12 0.68 -0.17 0.00 0.00 175.17 175.17 2kdg s VAL 281 N -1.56 0.92 0.01 1.11 -7.23 -1.26 -1.16 120.40 111.23 2kdg s VAL 281 Ca 0.60 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 2kdg s VAL 281 Cb -0.26 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 2kdg s VAL 281 CO 0.33 0.26 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.89 2kdg s SER 282 N -0.25 0.54 0.23 4.85 0.01 -0.81 -5.01 113.70 113.26 2kdg s SER 282 Ca 0.04 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.21 2kdg s SER 282 Cb -0.05 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2kdg s SER 282 CO -0.00 -0.01 0.01 0.26 0.41 0.00 0.00 173.24 173.91 2kdg s TRP 283 N -0.37 2.77 0.08 2.43 0.52 -1.25 -1.17 118.94 121.94 2kdg s TRP 283 Ca -0.01 -0.19 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 2kdg s TRP 283 Cb -0.03 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 31.01 2kdg s TRP 283 CO -0.00 0.57 0.15 0.71 0.02 0.00 0.00 176.95 178.40 2kdg s TYR 284 N -2.09 0.21 -0.14 -1.98 1.51 0.25 -0.83 117.35 114.29 2kdg s TYR 284 Ca 0.30 -0.65 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2kdg s TYR 284 Cb -0.08 -0.12 0.07 0.00 -0.11 0.00 0.00 41.96 41.73 2kdg s TYR 284 CO 0.20 -0.51 0.27 -1.17 -1.11 0.00 0.00 175.55 173.23 2kdg s LEU 285 N -2.81 -0.32 -0.69 -1.29 2.96 0.02 -1.43 118.68 115.13 2kdg s LEU 285 Ca 0.04 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 2kdg s LEU 285 Cb 0.05 0.74 0.00 0.00 0.50 0.00 0.00 46.19 47.47 2kdg s LEU 285 CO -0.10 -0.24 0.00 0.59 -1.32 0.00 0.00 176.35 175.27 2kdg n ASN 286 N 5.35 -4.43 0.00 3.68 3.02 -0.43 -1.65 115.26 120.80 2kdg n ASN 286 Ca -0.06 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2kdg n ASN 286 Cb 0.50 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 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 0.33 1.23 3.92 7.41 0.00 -1.26 -5.07 105.19 111.75 2kdg n GLY 287 Ca -0.06 0.00 -0.26 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 -0.49 3.44 0.69 1.61 0.52 -0.66 -5.11 118.95 118.96 2kdg s ARG 288 Ca 0.00 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 2kdg s ARG 288 Cb 0.00 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 33.00 2kdg s ARG 288 CO 0.00 -0.13 1.06 0.95 0.02 0.00 0.00 175.30 177.20 2kdg s THR 289 N -2.61 3.87 -0.24 0.02 -4.23 -1.26 -0.80 115.64 110.39 2kdg s THR 289 Ca 0.46 0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 61.59 2kdg s THR 289 Cb -0.10 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.50 2kdg s THR 289 CO 0.42 -0.74 0.09 -0.69 -0.54 0.00 0.00 174.62 173.15 2kdg s VAL 290 N -2.90 0.29 0.65 2.29 1.01 -0.01 -4.62 120.40 117.11 2kdg s VAL 290 Ca 0.60 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 2kdg s VAL 290 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2kdg s VAL 290 CO 0.52 -0.48 1.05 -1.10 0.00 0.00 0.00 175.10 175.09 2kdg s GLN 291 N 1.94 3.30 0.49 2.72 -0.21 -1.26 -3.84 119.66 122.80 2kdg s GLN 291 Ca 0.05 0.66 -0.21 0.00 0.02 0.00 0.00 55.36 55.88 2kdg s GLN 291 Cb -0.17 -2.05 -0.07 0.00 1.00 0.00 0.00 33.01 31.72 2kdg s GLN 291 CO -0.20 -0.76 1.14 -1.54 -2.12 0.00 0.00 175.29 171.80 2kdg s SER 292 N -4.21 6.03 0.38 5.90 1.04 -1.26 -4.98 113.70 116.58 2kdg s SER 292 Ca 0.56 2.22 -0.06 0.00 0.48 0.00 0.00 55.95 59.15 2kdg s SER 292 Cb -0.11 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.44 2kdg s SER 292 CO 0.53 -1.01 0.61 -0.90 0.98 0.00 0.00 173.24 173.45 2kdg n ASP 293 N -0.82 -1.73 0.20 7.02 5.68 -1.04 -5.00 116.55 120.87 2kdg n ASP 293 Ca 0.09 -2.83 0.15 0.00 -0.50 0.00 0.00 54.79 51.69 2kdg n ASP 293 Cb 0.50 3.06 0.77 0.00 -1.14 0.00 0.00 41.12 44.30 2kdg n ASP 293 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2kdg h ASP 294 N 2.02 0.00 0.48 -1.12 3.32 -2.02 -1.13 116.42 117.97 2kdg h ASP 294 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2kdg h ASP 294 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2kdg h ASP 294 CO 0.40 0.00 -0.92 0.18 -1.72 0.00 0.00 179.24 177.18 2kdg n LEU 295 N -4.12 0.63 -3.26 1.55 4.77 -1.26 -4.67 117.00 110.64 2kdg n LEU 295 Ca 0.01 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 2kdg n LEU 295 Cb 0.26 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2kdg n LEU 295 CO 0.31 0.05 -0.14 1.41 -1.33 0.00 0.00 177.39 177.69 2kdg n HIS 296 N -1.92 1.31 -2.42 -1.77 8.25 -0.43 -1.32 115.22 116.92 2kdg n HIS 296 Ca 0.03 -3.81 -0.36 0.00 -0.26 0.00 0.00 57.72 53.31 2kdg n HIS 296 Cb 0.42 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.84 3.95 -0.17 -0.41 1.02 -1.20 -2.49 119.74 118.60 2kdg s LYS 297 Ca 0.38 1.60 -0.05 0.00 0.02 0.00 0.00 55.97 57.93 2kdg s LYS 297 Cb 0.18 -2.43 0.06 0.00 -0.52 0.00 0.00 37.83 35.12 2kdg s LYS 297 CO -0.07 -0.35 0.08 -1.64 -0.92 0.00 0.00 175.35 172.45 2kdg s MET 298 N -2.66 0.14 0.11 1.68 -1.94 -1.26 -1.80 119.30 113.57 2kdg s MET 298 Ca 0.61 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 2kdg s MET 298 Cb -0.24 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 2kdg s MET 298 CO 0.30 -0.65 0.00 0.96 -0.01 0.00 0.00 175.02 175.61 2kdg s ILE 299 N 2.10 0.35 -0.27 2.53 -0.00 -1.03 -5.03 121.20 119.84 2kdg s ILE 299 Ca 0.02 -1.90 -0.00 0.00 -0.00 0.00 0.00 60.65 58.76 2kdg s ILE 299 Cb -0.16 -1.85 0.08 0.00 -0.00 0.00 0.00 42.46 40.53 2kdg s ILE 299 CO -0.09 -0.68 0.05 -0.69 -0.00 0.00 0.00 174.94 173.53 2kdg s VAL 300 N -3.86 1.10 0.87 8.37 1.01 -1.26 -0.82 120.40 125.80 2kdg s VAL 300 Ca 0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 2kdg s VAL 300 Cb 0.07 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.88 2kdg s VAL 300 CO -0.02 -0.45 1.10 -0.44 0.00 0.00 0.00 175.10 175.29 2kdg s SER 301 N 1.54 3.84 0.88 3.32 0.01 -0.10 -4.90 113.70 118.29 2kdg s SER 301 Ca 0.04 1.28 -0.12 0.00 1.31 0.00 0.00 55.95 58.46 2kdg s SER 301 Cb -0.18 -1.96 0.10 0.00 0.21 0.00 0.00 66.02 64.19 2kdg s SER 301 CO -0.16 -2.38 0.99 1.21 0.41 0.00 0.00 173.24 173.31 2kdg n GLU 302 N -3.69 -0.21 -0.99 12.44 4.07 -1.26 -2.96 120.64 128.04 2kdg n GLU 302 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2kdg n GLU 302 Cb 0.57 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 2kdg n GLU 302 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2kdg n LYS 303 N -3.32 -1.47 -1.33 5.31 4.76 -1.26 -4.12 118.16 116.74 2kdg n LYS 303 Ca 0.11 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2kdg n LYS 303 Cb 0.52 -4.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.21 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 -0.03 0.62 2.75 0.72 0.00 -1.20 -4.90 105.19 103.15 2kdg n GLY 304 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.43 2.44 0.12 0.99 2.96 -1.16 -1.19 118.68 120.42 2kdg s LEU 305 Ca 0.00 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.92 2kdg s LEU 305 Cb 0.00 -0.92 -0.06 0.00 0.50 0.00 0.00 46.19 45.70 2kdg s LEU 305 CO 0.00 -0.41 1.08 -2.28 -1.32 0.00 0.00 176.35 173.41 2kdg s HIS 306 N 1.55 3.62 -0.00 5.38 5.65 -0.14 -0.92 115.29 130.42 2kdg s HIS 306 Ca 0.10 1.60 0.08 0.00 0.25 0.00 0.00 55.06 57.09 2kdg s HIS 306 Cb -0.17 -3.24 -0.02 0.00 -1.18 0.00 0.00 32.58 27.97 2kdg s HIS 306 CO -0.24 -0.49 -0.25 -1.12 -0.65 0.00 0.00 174.74 171.99 2kdg s SER 307 N 0.23 2.93 -0.14 9.88 0.01 -0.00 -0.97 113.70 125.65 2kdg s SER 307 Ca 0.51 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2kdg s SER 307 Cb -0.27 -0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.69 2kdg s SER 307 CO 0.32 0.29 -0.01 -0.22 0.41 0.00 0.00 173.24 174.03 2kdg s LEU 308 N -0.76 1.06 0.15 2.44 1.98 -1.01 -2.47 118.68 120.08 2kdg s LEU 308 Ca 0.10 -0.47 0.05 0.00 -2.89 0.00 0.00 54.13 50.92 2kdg s LEU 308 Cb -0.10 -0.63 -0.04 0.00 0.66 0.00 0.00 46.19 46.08 2kdg s LEU 308 CO -0.00 -0.22 0.14 -0.63 -1.89 0.00 0.00 176.35 173.75 2kdg s ILE 309 N 1.84 4.54 -0.24 6.68 1.01 -0.75 -0.67 121.20 133.60 2kdg s ILE 309 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2kdg s ILE 309 Cb -0.14 -3.30 0.07 0.00 0.01 0.00 0.00 42.46 39.09 2kdg s ILE 309 CO -0.07 -0.08 0.02 -0.36 0.00 0.00 0.00 174.94 174.45 2kdg s PHE 310 N -1.71 1.74 0.16 3.97 0.40 0.05 -3.91 117.98 118.68 2kdg s PHE 310 Ca 0.31 -1.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.08 2kdg s PHE 310 Cb -0.10 -1.43 0.05 0.00 0.51 0.00 0.00 43.02 42.05 2kdg s PHE 310 CO 0.23 -0.74 1.70 0.93 0.70 0.00 0.00 175.22 178.05 2kdg h GLU 311 N 8.09 0.85 -1.68 0.44 4.39 -1.46 -0.59 114.58 124.62 2kdg h GLU 311 Ca -0.16 -0.17 -0.26 0.00 0.34 0.00 0.00 59.36 59.11 2kdg h GLU 311 Cb 1.08 -0.13 -0.28 0.00 -0.10 0.00 0.00 28.75 29.32 2kdg h GLU 311 CO 0.40 0.76 -0.60 0.54 -1.16 0.00 0.00 179.01 178.95 2kdg s VAL 312 N -5.45 -0.54 0.33 3.13 0.11 -1.26 -3.74 120.40 112.97 2kdg s VAL 312 Ca -0.13 -0.63 -0.27 0.00 -2.93 0.00 0.00 61.98 58.02 2kdg s VAL 312 Cb 0.12 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 34.32 2kdg s VAL 312 CO 0.79 -0.39 1.08 0.54 -3.33 0.00 0.00 175.10 173.79 2kdg s VAL 313 N 1.72 3.57 0.22 2.04 0.11 -0.99 -4.88 120.40 122.20 2kdg s VAL 313 Ca 0.15 1.42 0.05 0.00 -2.93 0.00 0.00 61.98 60.68 2kdg s VAL 313 Cb -0.12 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 2kdg s VAL 313 CO -0.09 0.22 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.71 2kdg s ARG 314 N -1.88 1.33 0.49 1.54 1.81 -1.26 -0.93 118.95 120.05 2kdg s ARG 314 Ca 0.50 -1.64 0.20 0.00 -1.72 0.00 0.00 55.73 53.06 2kdg s ARG 314 Cb -0.28 -0.85 1.23 0.00 -0.45 0.00 0.00 34.95 34.60 2kdg s ARG 314 CO 0.36 0.02 1.99 0.00 -0.68 0.00 0.00 175.30 176.99 2kdg h ALA 315 N 2.50 2.26 0.00 2.13 0.00 -1.95 -0.38 119.26 123.82 2kdg h ALA 315 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kdg h ALA 315 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kdg h ALA 315 CO 0.65 -0.41 0.00 0.77 0.00 0.00 0.00 179.25 180.26 2kdg h SER 316 N 0.18 0.00 0.48 0.00 0.02 -1.97 -2.97 113.55 109.30 2kdg h SER 316 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kdg h SER 316 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2kdg h SER 316 CO -0.04 0.00 -0.12 0.47 -1.14 0.00 0.00 176.83 176.00 2kdg n ASP 317 N -2.50 0.35 -4.74 3.07 8.00 -0.15 -4.94 116.55 115.63 2kdg n ASP 317 Ca 0.01 -0.35 -0.35 0.00 0.71 0.00 0.00 54.79 54.80 2kdg n ASP 317 Cb 0.21 -0.13 0.06 0.00 -0.02 0.00 0.00 41.12 41.24 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 2.38 0.00 2.24 0.00 -1.12 -4.96 121.76 117.70 2kdg s ALA 318 Ca 0.25 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2kdg s ALA 318 Cb 0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2kdg s ALA 318 CO 0.50 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2kdg n GLY 319 N 0.45 1.00 3.52 0.00 0.00 -0.83 -5.00 105.19 104.31 2kdg n GLY 319 Ca 0.14 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.00 2.88 0.41 4.61 0.00 -1.26 -0.96 121.76 126.44 2kdg s ALA 320 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 2kdg s ALA 320 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 2kdg s ALA 320 CO 0.00 -3.15 1.02 0.71 0.00 0.00 0.00 175.76 174.34 2kdg s TYR 321 N 5.01 3.28 0.08 0.00 2.02 -0.00 -1.32 117.35 126.43 2kdg s TYR 321 Ca 0.32 1.65 -0.06 0.00 -0.37 0.00 0.00 57.07 58.61 2kdg s TYR 321 Cb -0.10 -3.06 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2kdg s TYR 321 CO 0.10 -0.49 0.11 0.00 -1.57 0.00 0.00 175.55 173.70 2kdg s ALA 322 N -1.77 0.06 0.01 3.71 0.00 -0.51 -1.38 121.76 121.88 2kdg s ALA 322 Ca 0.59 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2kdg s ALA 322 Cb -0.19 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2kdg s ALA 322 CO 0.24 -0.47 -0.09 0.00 0.00 0.00 0.00 175.76 175.44 2kdg s VAL 324 N -0.46 1.81 -0.17 0.00 1.01 -0.32 -1.07 120.40 121.21 2kdg s VAL 324 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2kdg s VAL 324 Cb -0.05 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2kdg s VAL 324 CO 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 2kdg s ALA 325 N 0.96 2.57 -0.02 5.51 0.00 -0.22 -1.93 121.76 128.62 2kdg s ALA 325 Ca -0.05 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2kdg s ALA 325 Cb -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2kdg s ALA 325 CO -0.03 -0.10 -0.06 0.15 0.00 0.00 0.00 175.76 175.71 2kdg s LYS 326 N 0.93 0.74 0.35 0.00 1.02 -0.31 -0.98 119.74 121.49 2kdg s LYS 326 Ca -0.03 -0.20 0.04 0.00 0.02 0.00 0.00 55.97 55.80 2kdg s LYS 326 Cb -0.15 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 2kdg s LYS 326 CO -0.01 0.05 0.13 0.27 -0.92 0.00 0.00 175.35 174.86 2kdg n ASN 327 N 3.45 1.14 0.09 2.83 0.23 -0.56 -0.86 115.26 121.57 2kdg n ASN 327 Ca -0.19 -2.88 0.06 0.00 -0.53 0.00 0.00 54.58 51.04 2kdg n ASN 327 Cb 0.54 0.91 0.32 0.00 -2.08 0.00 0.00 39.78 39.47 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 -0.79 0.08 -0.00 -3.83 1.85 -1.26 -2.72 116.66 109.99 2kdg n ARG 328 Ca -0.05 0.57 0.05 0.00 -1.00 0.00 0.00 57.85 57.42 2kdg n ARG 328 Cb 0.53 -1.75 -0.06 0.00 -1.05 0.00 0.00 32.46 30.13 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 -1.65 2.67 0.00 2.89 0.00 -1.26 -5.09 120.51 118.07 2kdg n ALA 329 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2kdg n ALA 329 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.68 -1.24 3.06 0.00 0.00 -1.10 -4.54 105.19 103.06 2kdg n GLY 330 Ca -0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.22 0.63 0.10 1.61 2.12 -1.26 -1.50 118.70 119.18 2kdg s GLU 331 Ca 0.00 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.75 2kdg s GLU 331 Cb 0.00 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 2kdg s GLU 331 CO 0.00 0.13 -0.04 0.00 -0.54 0.00 0.00 175.26 174.81 2kdg s ALA 332 N -0.85 0.94 0.00 6.30 0.00 -0.15 -4.81 121.76 123.19 2kdg s ALA 332 Ca -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2kdg s ALA 332 Cb -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2kdg s ALA 332 CO 0.00 -0.29 -0.04 0.99 0.00 0.00 0.00 175.76 176.42 2kdg s THR 333 N -3.71 0.32 -0.01 0.00 2.01 -1.26 -1.06 115.64 111.92 2kdg s THR 333 Ca 0.14 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2kdg s THR 333 Cb 0.06 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.27 2kdg s THR 333 CO -0.04 -0.01 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.47 2kdg s PHE 334 N -0.34 0.49 -0.01 4.92 0.40 -0.23 -4.94 117.98 118.27 2kdg s PHE 334 Ca -0.01 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2kdg s PHE 334 Cb -0.03 -0.37 -0.00 0.00 0.51 0.00 0.00 43.02 43.13 2kdg s PHE 334 CO -0.00 -0.05 0.05 0.99 0.70 0.00 0.00 175.22 176.91 2kdg s THR 335 N 0.19 0.04 -0.13 0.64 2.01 -1.26 -0.46 115.64 116.66 2kdg s THR 335 Ca -0.02 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 2kdg s THR 335 Cb -0.06 -0.18 0.04 0.00 0.01 0.00 0.00 72.50 72.32 2kdg s THR 335 CO -0.00 -0.17 0.44 0.54 -0.69 0.00 0.00 174.62 174.73 2kdg s VAL 336 N -0.51 0.01 -0.01 3.82 0.11 -0.48 -4.74 120.40 118.60 2kdg s VAL 336 Ca -0.06 -0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 58.72 2kdg s VAL 336 Cb -0.04 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 34.11 2kdg s VAL 336 CO 0.00 -0.05 0.53 -1.58 -3.33 0.00 0.00 175.10 170.67 2kdg s GLN 337 N -0.15 4.22 -0.32 1.54 0.74 -1.26 -0.82 119.66 123.61 2kdg s GLN 337 Ca -0.03 0.62 0.02 0.00 0.05 0.00 0.00 55.36 56.02 2kdg s GLN 337 Cb -0.03 -3.31 0.08 0.00 1.10 0.00 0.00 33.01 30.85 2kdg s GLN 337 CO 0.02 0.46 0.01 -1.17 -0.55 0.00 0.00 175.29 174.06 2kdg s LEU 338 N -0.44 4.30 -1.02 3.68 2.96 -0.13 -0.88 118.68 127.15 2kdg s LEU 338 Ca 0.28 -1.81 -0.20 0.00 -0.22 0.00 0.00 54.13 52.18 2kdg s LEU 338 Cb -0.18 -1.63 0.09 0.00 0.50 0.00 0.00 46.19 44.98 2kdg s LEU 338 CO 0.16 -0.32 1.34 -1.81 -1.32 0.00 0.00 176.35 174.40 2kdg s ASP 339 N 1.09 6.63 -0.39 3.68 1.01 -0.22 -1.97 116.67 126.50 2kdg s ASP 339 Ca 0.03 -1.91 -0.28 0.00 0.71 0.00 0.00 52.55 51.10 2kdg s ASP 339 Cb -0.20 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2kdg s ASP 339 CO -0.06 -1.24 1.78 -0.69 0.21 0.00 0.00 175.17 175.18 2kdg s VAL 340 N 3.71 3.49 -0.75 -1.27 1.01 -1.26 -2.59 120.40 122.73 2kdg s VAL 340 Ca 0.41 0.47 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 2kdg s VAL 340 Cb -0.02 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2kdg s VAL 340 CO -0.07 -0.52 1.66 -0.76 0.00 0.00 0.00 175.10 175.41 2kdg s LEU 341 N 7.21 3.26 0.71 3.92 1.43 0.09 -4.80 118.68 130.49 2kdg s LEU 341 Ca 0.76 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 2kdg s LEU 341 Cb -0.20 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.50 2kdg s LEU 341 CO 0.31 -2.18 1.24 0.00 0.23 0.00 0.00 176.35 175.95 2kdg s ALA 342 N 7.80 2.18 -0.15 4.21 0.00 -1.26 -1.25 121.76 133.29 2kdg s ALA 342 Ca 0.56 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.55 2kdg s ALA 342 Cb -0.09 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2kdg s ALA 342 CO 0.12 -1.82 -0.12 1.17 0.00 0.00 0.00 175.76 175.10 2kdg n LYS 343 N -2.47 0.49 0.00 0.00 4.81 -1.26 -4.84 118.16 114.89 2kdg n LYS 343 Ca 0.14 0.08 0.03 0.00 -0.87 0.00 0.00 58.31 57.69 2kdg n LYS 343 Cb 0.49 -1.30 0.19 0.00 0.02 0.00 0.00 35.03 34.43 2kdg n LYS 343 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96