#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 1.73 0.35 4.61 0.00 -1.26 -5.09 121.76 122.10 2kdg s ALA -3 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2kdg s ALA -3 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2kdg s ALA -3 CO 0.00 -2.34 0.50 0.00 0.00 0.00 0.00 175.76 173.91 2kdg s MET -2 N -4.78 1.93 -0.04 0.00 0.23 -1.26 -5.06 119.30 110.32 2kdg s MET -2 Ca 0.64 -1.73 -0.31 0.00 -1.03 0.00 0.00 55.69 53.26 2kdg s MET -2 Cb -0.20 0.46 0.13 0.00 -1.53 0.00 0.00 34.83 33.68 2kdg s MET -2 CO 0.57 -0.81 1.33 0.20 -2.03 0.00 0.00 175.02 174.29 2kdg s GLY -1 N -3.22 -0.42 0.75 3.16 0.00 -0.76 -4.97 107.32 101.86 2kdg s GLY -1 Ca 0.29 0.71 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 2kdg s GLY -1 CO 0.20 0.63 1.09 2.56 0.00 0.00 0.00 173.10 177.57 2kdg s PRO 249 N -2.28 2.45 0.83 2.90 0.04 -1.26 -1.18 135.00 136.50 2kdg s PRO 249 Ca 0.16 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2kdg s PRO 249 Cb 0.05 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.76 2kdg s PRO 249 CO -0.04 -1.49 1.10 -1.25 0.04 0.00 0.00 177.00 175.35 2kdg s PRO 250 N -4.86 1.78 0.16 0.56 0.04 -1.26 -4.21 135.00 127.20 2kdg s PRO 250 Ca 0.61 1.09 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 2kdg s PRO 250 Cb -0.17 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2kdg s PRO 250 CO 0.55 -1.96 0.07 0.50 0.04 0.00 0.00 177.00 176.19 2kdg s ARG 251 N -4.88 1.04 -1.33 4.56 6.06 -1.26 -4.47 118.95 118.68 2kdg s ARG 251 Ca 0.62 -1.51 -0.12 0.00 -2.50 0.00 0.00 55.73 52.22 2kdg s ARG 251 Cb -0.18 0.14 0.12 0.00 0.06 0.00 0.00 34.95 35.09 2kdg s ARG 251 CO 0.57 -0.27 1.92 1.19 -2.50 0.00 0.00 175.30 176.21 2kdg n PHE 252 N -0.18 3.48 -1.39 5.12 3.01 -1.26 -4.67 117.46 121.58 2kdg n PHE 252 Ca -0.04 -2.91 -0.30 0.00 1.01 0.00 0.00 57.45 55.20 2kdg n PHE 252 Cb 0.64 -2.21 0.24 0.00 -0.01 0.00 0.00 39.48 38.14 2kdg n PHE 252 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2kdg s ILE 253 N 1.65 1.68 0.29 4.37 -1.09 -1.26 -4.99 121.20 121.85 2kdg s ILE 253 Ca 0.43 0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.57 2kdg s ILE 253 Cb 0.09 -2.68 -0.14 0.00 -1.58 0.00 0.00 42.46 38.15 2kdg s ILE 253 CO -0.02 0.00 1.01 1.67 -1.23 0.00 0.00 174.94 176.37 2kdg n GLN 254 N -4.52 1.36 -4.26 2.79 7.27 -1.26 -4.89 117.38 113.87 2kdg n GLN 254 Ca 0.16 0.48 -0.21 0.00 0.07 0.00 0.00 57.00 57.50 2kdg n GLN 254 Cb 0.60 -1.85 -0.12 0.00 2.41 0.00 0.00 30.24 31.28 2kdg n GLN 254 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2kdg s VAL 255 N -1.06 1.53 0.65 1.69 -7.23 -1.26 -3.56 120.40 111.16 2kdg s VAL 255 Ca 0.58 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 2kdg s VAL 255 Cb -0.70 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 2kdg s VAL 255 CO 0.60 -0.22 1.04 -2.16 -0.31 0.00 0.00 175.10 174.05 2kdg s PRO 256 N -2.23 3.29 1.08 4.82 0.04 -1.26 -5.09 135.00 135.65 2kdg s PRO 256 Ca 0.07 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2kdg s PRO 256 Cb -0.08 -2.04 0.23 0.00 0.04 0.00 0.00 34.50 32.65 2kdg s PRO 256 CO 0.04 -0.82 1.09 -1.21 0.04 0.00 0.00 177.00 176.15 2kdg s GLU 257 N -4.96 -0.22 -0.25 4.56 8.01 -1.26 -4.82 118.70 119.77 2kdg s GLU 257 Ca 0.57 0.32 -0.32 0.00 0.01 0.00 0.00 54.97 55.56 2kdg s GLU 257 Cb -0.13 -1.68 -0.09 0.00 -4.31 0.00 0.00 34.13 27.93 2kdg s GLU 257 CO 0.52 -3.13 2.16 0.27 0.01 0.00 0.00 175.26 175.09 2kdg n ASN 258 N -4.42 2.86 -4.86 -0.19 2.04 -1.26 -4.70 115.26 104.73 2kdg n ASN 258 Ca 0.07 0.41 -0.31 0.00 -0.44 0.00 0.00 54.58 54.32 2kdg n ASN 258 Cb 0.58 -1.41 -0.03 0.00 -2.53 0.00 0.00 39.78 36.39 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 5.93 3.82 -0.22 -3.83 -1.94 0.13 -4.97 119.30 118.22 2kdg s MET 259 Ca 1.03 0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 55.69 2kdg s MET 259 Cb -0.60 -2.23 0.11 0.00 2.01 0.00 0.00 34.83 34.12 2kdg s MET 259 CO 0.43 -0.23 0.28 -1.54 -0.01 0.00 0.00 175.02 173.95 2kdg s SER 260 N -3.31 1.04 -0.06 3.03 1.04 -1.26 -0.98 113.70 113.19 2kdg s SER 260 Ca 0.55 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.91 2kdg s SER 260 Cb -0.10 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 2kdg s SER 260 CO 0.35 -0.32 -0.21 -0.63 0.98 0.00 0.00 173.24 173.41 2kdg s ILE 261 N 2.40 1.74 0.20 -1.02 -1.09 -1.21 -4.92 121.20 117.30 2kdg s ILE 261 Ca 0.09 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.32 2kdg s ILE 261 Cb -0.16 -1.50 -0.11 0.00 -1.58 0.00 0.00 42.46 39.12 2kdg s ILE 261 CO -0.15 0.49 1.61 -0.62 -1.23 0.00 0.00 174.94 175.04 2kdg s ASP 262 N 0.12 6.51 0.20 3.58 2.15 -1.26 -0.77 116.67 127.20 2kdg s ASP 262 Ca -0.09 2.73 -0.32 0.00 0.43 0.00 0.00 52.55 55.30 2kdg s ASP 262 Cb -0.14 -2.60 -0.14 0.00 -0.30 0.00 0.00 42.92 39.73 2kdg s ASP 262 CO 0.04 -0.87 1.37 1.21 -0.17 0.00 0.00 175.17 176.75 2kdg n GLU 263 N 3.64 1.77 -0.01 4.34 2.13 -0.40 -2.91 120.64 129.21 2kdg n GLU 263 Ca 0.13 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2kdg n GLU 263 Cb 0.37 -2.26 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 2.33 1.01 3.83 8.31 0.00 0.02 -4.88 105.19 115.81 2kdg n GLY 264 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 2.84 0.45 1.61 0.52 -1.15 -4.60 118.95 117.97 2kdg s ARG 265 Ca 0.00 0.85 -0.22 0.00 -0.52 0.00 0.00 55.73 55.83 2kdg s ARG 265 Cb 0.00 -1.99 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 2kdg s ARG 265 CO 0.00 -1.14 1.10 0.12 0.02 0.00 0.00 175.30 175.40 2kdg s PHE 266 N -3.10 3.00 0.17 -0.53 5.36 -1.25 -1.97 117.98 119.66 2kdg s PHE 266 Ca 0.58 1.58 -0.11 0.00 -0.96 0.00 0.00 56.93 58.02 2kdg s PHE 266 Cb -0.14 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 2kdg s PHE 266 CO 0.55 -1.11 0.34 0.00 -1.46 0.00 0.00 175.22 173.54 2kdg s ARG 268 N -3.94 0.81 0.36 0.00 1.70 -1.26 -0.65 118.95 115.98 2kdg s ARG 268 Ca 0.14 -0.56 0.07 0.00 -0.47 0.00 0.00 55.73 54.92 2kdg s ARG 268 Cb 0.02 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2kdg s ARG 268 CO -0.01 -0.26 0.44 -1.64 -1.08 0.00 0.00 175.30 172.74 2kdg s MET 269 N -2.69 2.88 -0.19 3.89 -1.94 -0.28 -4.97 119.30 116.00 2kdg s MET 269 Ca -0.04 -1.20 -0.02 0.00 -1.71 0.00 0.00 55.69 52.72 2kdg s MET 269 Cb -0.00 -2.66 0.06 0.00 2.01 0.00 0.00 34.83 34.23 2kdg s MET 269 CO -0.04 -0.04 0.01 -0.51 -0.01 0.00 0.00 175.02 174.44 2kdg s ASP 270 N -4.16 2.99 -0.31 3.03 1.01 -1.26 -3.84 116.67 114.13 2kdg s ASP 270 Ca 0.47 -0.83 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2kdg s ASP 270 Cb -0.08 -0.71 0.09 0.00 1.01 0.00 0.00 42.92 43.24 2kdg s ASP 270 CO 0.30 -0.28 0.06 -0.36 0.21 0.00 0.00 175.17 175.10 2kdg s PHE 271 N 1.77 2.45 0.45 4.23 0.08 -0.58 -4.37 117.98 122.00 2kdg s PHE 271 Ca -0.01 -2.12 -0.25 0.00 0.12 0.00 0.00 56.93 54.66 2kdg s PHE 271 Cb -0.17 -2.06 -0.08 0.00 -0.57 0.00 0.00 43.02 40.13 2kdg s PHE 271 CO -0.07 -0.88 1.44 0.15 -0.10 0.00 0.00 175.22 175.75 2kdg s LYS 272 N 1.36 3.68 -0.05 0.44 1.02 -1.23 -0.69 119.74 124.27 2kdg s LYS 272 Ca 0.08 2.44 -0.13 0.00 0.02 0.00 0.00 55.97 58.37 2kdg s LYS 272 Cb -0.18 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2kdg s LYS 272 CO -0.16 -0.83 0.30 0.54 -0.92 0.00 0.00 175.35 174.28 2kdg s VAL 273 N -1.20 0.04 0.33 3.17 0.11 -0.28 -4.53 120.40 118.03 2kdg s VAL 273 Ca 0.61 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 59.41 2kdg s VAL 273 Cb -0.44 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2kdg s VAL 273 CO 0.57 -0.17 0.26 -0.44 -3.33 0.00 0.00 175.10 171.98 2kdg s SER 274 N -0.78 1.67 0.00 3.54 0.01 -1.26 -4.48 113.70 112.40 2kdg s SER 274 Ca -0.09 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.44 2kdg s SER 274 Cb -0.04 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2kdg s SER 274 CO 0.03 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2kdg n GLY 275 N -0.62 2.78 3.12 3.44 0.00 -1.26 -4.21 105.19 108.45 2kdg n GLY 275 Ca 0.06 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.24 1.05 0.99 2.96 -0.33 -4.39 118.68 119.21 2kdg s LEU 276 Ca 0.00 0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 2kdg s LEU 276 Cb 0.00 0.93 0.22 0.00 0.50 0.00 0.00 46.19 47.84 2kdg s LEU 276 CO 0.00 -0.18 1.07 -2.16 -1.32 0.00 0.00 176.35 173.76 2kdg s PRO 277 N 1.32 -0.02 -0.06 0.98 0.04 -1.26 -1.82 135.00 134.17 2kdg s PRO 277 Ca -0.09 0.68 -0.34 0.00 0.04 0.00 0.00 61.00 61.29 2kdg s PRO 277 Cb -0.10 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 2kdg s PRO 277 CO -0.10 -3.07 1.88 0.00 0.04 0.00 0.00 177.00 175.74 2kdg n ALA 278 N -4.44 0.98 -1.35 8.56 0.00 -1.26 -4.83 120.51 118.17 2kdg n ALA 278 Ca 0.05 0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 2kdg n ALA 278 Cb 0.56 -2.51 0.08 0.00 0.00 0.00 0.00 19.45 17.57 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 3.96 2.46 1.02 0.00 0.04 -1.26 -4.91 135.00 136.31 2kdg s PRO 279 Ca 0.92 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2kdg s PRO 279 Cb -0.66 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.15 2kdg s PRO 279 CO 0.50 -1.48 1.08 0.34 0.04 0.00 0.00 177.00 177.48 2kdg s ASP 280 N -3.40 2.39 -0.17 6.66 2.15 -0.10 -4.83 116.67 119.37 2kdg s ASP 280 Ca 0.61 1.23 -0.01 0.00 0.43 0.00 0.00 52.55 54.81 2kdg s ASP 280 Cb -0.17 -1.91 0.05 0.00 -0.30 0.00 0.00 42.92 40.59 2kdg s ASP 280 CO 0.54 -3.28 -0.01 -0.69 -0.17 0.00 0.00 175.17 171.57 2kdg s VAL 281 N -2.90 0.80 -0.31 1.11 1.01 -1.26 -3.83 120.40 115.02 2kdg s VAL 281 Ca 0.66 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2kdg s VAL 281 Cb -0.19 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.15 2kdg s VAL 281 CO 0.58 -0.03 0.09 -0.44 0.00 0.00 0.00 175.10 175.31 2kdg s SER 282 N 1.75 4.04 0.44 3.32 0.01 -0.97 -5.02 113.70 117.27 2kdg s SER 282 Ca -0.00 -1.64 -0.13 0.00 1.31 0.00 0.00 55.95 55.49 2kdg s SER 282 Cb -0.16 -0.89 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 2kdg s SER 282 CO -0.07 -0.41 0.84 0.26 0.41 0.00 0.00 173.24 174.27 2kdg s TRP 283 N 1.60 3.46 0.07 2.43 0.52 -1.26 -1.13 118.94 124.63 2kdg s TRP 283 Ca 0.09 1.19 -0.04 0.00 0.02 0.00 0.00 56.10 57.37 2kdg s TRP 283 Cb -0.17 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 2kdg s TRP 283 CO -0.24 -0.20 0.06 0.71 0.02 0.00 0.00 176.95 177.29 2kdg s TYR 284 N -2.46 0.41 -0.15 -1.98 1.51 0.24 -1.08 117.35 113.83 2kdg s TYR 284 Ca 0.54 -0.91 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 2kdg s TYR 284 Cb -0.10 -0.27 0.07 0.00 -0.11 0.00 0.00 41.96 41.54 2kdg s TYR 284 CO 0.31 -0.45 0.32 -1.17 -1.11 0.00 0.00 175.55 173.45 2kdg s LEU 285 N -2.91 -0.18 -0.16 -1.29 2.96 0.05 -1.44 118.68 115.71 2kdg s LEU 285 Ca 0.07 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2kdg s LEU 285 Cb 0.07 0.97 0.00 0.00 0.50 0.00 0.00 46.19 47.73 2kdg s LEU 285 CO -0.10 -0.21 0.00 0.59 -1.32 0.00 0.00 176.35 175.31 2kdg n ASN 286 N 4.91 -4.33 0.00 3.68 3.02 -0.43 -1.73 115.26 120.38 2kdg n ASN 286 Ca -0.14 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2kdg n ASN 286 Cb 0.51 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 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 0.63 0.91 3.59 7.41 0.00 -1.26 -5.07 105.19 111.40 2kdg n GLY 287 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2kdg n GLY 287 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kdg s ARG 288 N -0.22 1.98 0.75 1.61 1.70 -0.70 -5.15 118.95 118.91 2kdg s ARG 288 Ca 0.00 -1.78 -0.11 0.00 -0.47 0.00 0.00 55.73 53.37 2kdg s ARG 288 Cb 0.00 -1.87 0.04 0.00 -0.57 0.00 0.00 34.95 32.56 2kdg s ARG 288 CO 0.00 0.17 1.08 0.95 -1.08 0.00 0.00 175.30 176.43 2kdg s THR 289 N -2.53 3.53 -0.17 4.99 -4.23 -1.26 -0.77 115.64 115.19 2kdg s THR 289 Ca 0.33 0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 61.31 2kdg s THR 289 Cb -0.00 -3.07 0.06 0.00 1.34 0.00 0.00 72.50 70.82 2kdg s THR 289 CO 0.18 -0.65 0.05 -0.69 -0.54 0.00 0.00 174.62 172.97 2kdg s VAL 290 N -2.96 0.33 0.51 2.29 1.01 -0.24 -4.63 120.40 116.71 2kdg s VAL 290 Ca 0.60 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 2kdg s VAL 290 Cb -0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2kdg s VAL 290 CO 0.56 -0.17 0.85 -1.10 0.00 0.00 0.00 175.10 175.24 2kdg s GLN 291 N 1.95 3.60 0.57 2.72 -0.21 -1.26 -4.00 119.66 123.03 2kdg s GLN 291 Ca 0.01 0.40 -0.18 0.00 0.02 0.00 0.00 55.36 55.60 2kdg s GLN 291 Cb -0.16 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 2kdg s GLN 291 CO -0.08 -0.28 1.13 -1.54 -2.12 0.00 0.00 175.29 172.40 2kdg s SER 292 N -3.98 5.58 0.36 5.90 1.04 -1.26 -5.00 113.70 116.34 2kdg s SER 292 Ca 0.50 2.15 -0.06 0.00 0.48 0.00 0.00 55.95 59.02 2kdg s SER 292 Cb -0.10 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.46 2kdg s SER 292 CO 0.45 -1.32 0.57 1.51 0.98 0.00 0.00 173.24 175.44 2kdg s ASP 293 N -1.94 0.74 0.51 7.02 1.47 -1.10 -5.00 116.67 118.36 2kdg s ASP 293 Ca 0.72 -1.43 0.20 0.00 1.18 0.00 0.00 52.55 53.22 2kdg s ASP 293 Cb -0.23 0.73 1.28 0.00 -0.34 0.00 0.00 42.92 44.36 2kdg s ASP 293 CO 0.30 -1.43 2.04 -0.78 0.68 0.00 0.00 175.17 175.98 2kdg h ASP 294 N 2.06 0.08 0.82 2.11 3.58 -2.01 -0.86 116.42 122.20 2kdg h ASP 294 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2kdg h ASP 294 Cb 1.24 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2kdg h ASP 294 CO 0.39 0.05 -0.51 0.18 -2.88 0.00 0.00 179.24 176.47 2kdg n LEU 295 N -4.45 0.61 -3.22 2.28 4.77 -1.26 -4.57 117.00 111.15 2kdg n LEU 295 Ca 0.06 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 2kdg n LEU 295 Cb 0.40 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2kdg n LEU 295 CO 0.35 -0.01 -0.20 1.41 -1.33 0.00 0.00 177.39 177.61 2kdg n HIS 296 N -1.92 0.61 -2.16 -1.77 8.25 -0.33 -1.15 115.22 116.74 2kdg n HIS 296 Ca 0.04 -3.72 -0.38 0.00 -0.26 0.00 0.00 57.72 53.40 2kdg n HIS 296 Cb 0.41 -0.40 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.69 3.78 -0.27 -0.41 1.02 -1.18 -2.73 119.74 118.26 2kdg s LYS 297 Ca 0.37 1.93 -0.02 0.00 0.02 0.00 0.00 55.97 58.27 2kdg s LYS 297 Cb 0.20 -2.51 0.09 0.00 -0.52 0.00 0.00 37.83 35.08 2kdg s LYS 297 CO -0.09 -0.58 0.09 -1.64 -0.92 0.00 0.00 175.35 172.22 2kdg s MET 298 N -2.55 0.52 0.09 1.68 -1.94 -1.26 -1.95 119.30 113.90 2kdg s MET 298 Ca 0.62 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 2kdg s MET 298 Cb -0.33 -1.77 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 2kdg s MET 298 CO 0.40 -0.91 -0.07 0.96 -0.01 0.00 0.00 175.02 175.40 2kdg s ILE 299 N 1.83 0.66 -0.15 2.53 -0.00 -1.11 -5.04 121.20 119.92 2kdg s ILE 299 Ca 0.07 -1.81 -0.02 0.00 -0.00 0.00 0.00 60.65 58.89 2kdg s ILE 299 Cb -0.17 -1.52 0.05 0.00 -0.00 0.00 0.00 42.46 40.82 2kdg s ILE 299 CO -0.24 -0.81 0.01 -0.69 -0.00 0.00 0.00 174.94 173.21 2kdg s VAL 300 N -3.31 0.61 0.37 8.37 1.01 -1.26 -1.07 120.40 125.13 2kdg s VAL 300 Ca 0.08 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2kdg s VAL 300 Cb 0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 2kdg s VAL 300 CO -0.04 -0.00 1.35 -0.55 0.00 0.00 0.00 175.10 175.85 2kdg s SER 301 N 1.84 6.47 0.63 3.32 0.15 -0.16 -4.93 113.70 121.02 2kdg s SER 301 Ca 0.01 2.76 0.38 0.00 0.70 0.00 0.00 55.95 59.80 2kdg s SER 301 Cb -0.15 -2.65 2.06 0.00 -1.71 0.00 0.00 66.02 63.57 2kdg s SER 301 CO -0.07 -0.75 2.16 1.05 1.20 0.00 0.00 173.24 176.82 2kdg h GLU 302 N 2.98 0.00 0.00 5.44 4.11 -2.01 -1.69 114.58 123.41 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kdg h GLU 302 CO 0.64 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.35 2kdg n LYS 303 N -2.93 0.57 -0.86 1.06 4.76 -1.26 -4.91 118.16 114.59 2kdg n LYS 303 Ca -0.03 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kdg n LYS 303 Cb 0.17 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.88 0.83 2.66 0.72 0.00 -0.64 -5.00 105.19 104.64 2kdg n GLY 304 Ca 0.16 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 0.89 0.20 0.99 2.96 -1.21 -1.13 118.68 120.90 2kdg s LEU 305 Ca 0.00 -0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 2kdg s LEU 305 Cb 0.00 -0.46 -0.08 0.00 0.50 0.00 0.00 46.19 46.15 2kdg s LEU 305 CO 0.00 -0.36 0.93 -2.28 -1.32 0.00 0.00 176.35 173.32 2kdg s HIS 306 N 1.97 3.94 0.07 5.38 5.65 0.14 -0.99 115.29 131.45 2kdg s HIS 306 Ca 0.03 1.86 0.09 0.00 0.25 0.00 0.00 55.06 57.29 2kdg s HIS 306 Cb -0.17 -2.98 -0.03 0.00 -1.18 0.00 0.00 32.58 28.23 2kdg s HIS 306 CO -0.16 0.40 -0.24 -1.12 -0.65 0.00 0.00 174.74 172.97 2kdg s SER 307 N -0.88 2.89 -0.17 9.88 0.01 -0.23 -1.53 113.70 123.67 2kdg s SER 307 Ca 0.42 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 2kdg s SER 307 Cb -0.25 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.81 2kdg s SER 307 CO 0.31 0.18 0.02 -0.22 0.41 0.00 0.00 173.24 173.94 2kdg s LEU 308 N -1.49 1.12 0.25 2.44 1.98 -1.25 -2.77 118.68 118.97 2kdg s LEU 308 Ca 0.10 -0.66 -0.03 0.00 -2.89 0.00 0.00 54.13 50.65 2kdg s LEU 308 Cb -0.10 -0.60 -0.05 0.00 0.66 0.00 0.00 46.19 46.10 2kdg s LEU 308 CO 0.03 -0.27 0.49 -0.63 -1.89 0.00 0.00 176.35 174.08 2kdg s ILE 309 N 1.85 5.10 -0.32 6.68 1.09 -0.82 -1.12 121.20 133.66 2kdg s ILE 309 Ca 0.00 -0.12 -0.01 0.00 -1.10 0.00 0.00 60.65 59.43 2kdg s ILE 309 Cb -0.16 -3.73 0.10 0.00 -1.06 0.00 0.00 42.46 37.61 2kdg s ILE 309 CO -0.07 -0.26 0.11 -0.36 -0.10 0.00 0.00 174.94 174.25 2kdg s PHE 310 N -2.00 1.71 0.25 3.97 0.40 0.18 -4.18 117.98 118.30 2kdg s PHE 310 Ca 0.42 -1.78 -0.05 0.00 -0.60 0.00 0.00 56.93 54.91 2kdg s PHE 310 Cb -0.11 -1.71 0.27 0.00 0.51 0.00 0.00 43.02 41.98 2kdg s PHE 310 CO 0.30 -0.87 1.85 0.93 0.70 0.00 0.00 175.22 178.12 2kdg h GLU 311 N 7.97 1.15 -1.75 0.44 4.39 -1.37 -0.19 114.58 125.23 2kdg h GLU 311 Ca -0.12 -0.16 -0.31 0.00 0.34 0.00 0.00 59.36 59.11 2kdg h GLU 311 Cb 1.01 -0.21 -0.28 0.00 -0.10 0.00 0.00 28.75 29.16 2kdg h GLU 311 CO 0.47 0.88 -0.64 0.54 -1.16 0.00 0.00 179.01 179.10 2kdg s VAL 312 N -5.68 -0.46 0.33 3.13 0.11 -1.26 -3.79 120.40 112.78 2kdg s VAL 312 Ca -0.12 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2kdg s VAL 312 Cb 0.16 -0.53 -0.10 0.00 -1.53 0.00 0.00 36.38 34.39 2kdg s VAL 312 CO 0.82 -0.47 1.26 0.54 -3.33 0.00 0.00 175.10 173.92 2kdg s VAL 313 N 1.49 2.89 0.24 2.04 0.11 -0.83 -4.84 120.40 121.50 2kdg s VAL 313 Ca 0.17 0.89 0.07 0.00 -2.93 0.00 0.00 61.98 60.18 2kdg s VAL 313 Cb -0.13 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 2kdg s VAL 313 CO -0.03 0.21 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.70 2kdg s ARG 314 N -1.75 1.43 0.44 1.54 1.81 -1.26 -0.80 118.95 120.36 2kdg s ARG 314 Ca 0.48 -1.68 0.15 0.00 -1.72 0.00 0.00 55.73 52.97 2kdg s ARG 314 Cb -0.38 -1.14 1.06 0.00 -0.45 0.00 0.00 34.95 34.05 2kdg s ARG 314 CO 0.50 0.12 1.97 0.00 -0.68 0.00 0.00 175.30 177.21 2kdg h ALA 315 N 2.43 2.07 0.00 2.13 0.00 -1.96 -0.79 119.26 123.15 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 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kdg h ALA 315 CO 0.64 -0.21 0.00 0.77 0.00 0.00 0.00 179.25 180.45 2kdg h SER 316 N 0.37 0.00 0.50 0.00 0.02 -1.97 -2.73 113.55 109.74 2kdg h SER 316 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2kdg h SER 316 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2kdg h SER 316 CO -0.08 0.00 -0.10 0.47 -1.14 0.00 0.00 176.83 175.98 2kdg n ASP 317 N -2.77 0.30 -4.75 3.07 8.00 -0.30 -4.93 116.55 115.16 2kdg n ASP 317 Ca -0.01 -0.32 -0.35 0.00 0.71 0.00 0.00 54.79 54.83 2kdg n ASP 317 Cb 0.15 -0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.14 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 2.43 0.00 2.24 0.00 -1.03 -4.94 121.76 117.86 2kdg s ALA 318 Ca 0.26 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2kdg s ALA 318 Cb 0.20 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2kdg s ALA 318 CO 0.50 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2kdg n GLY 319 N 0.20 0.93 3.49 0.00 0.00 -0.51 -4.99 105.19 104.31 2kdg n GLY 319 Ca 0.13 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.10 3.07 0.48 4.61 0.00 -1.26 -1.04 121.76 126.52 2kdg s ALA 320 Ca 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 2kdg s ALA 320 Cb 0.00 -3.88 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 2kdg s ALA 320 CO 0.00 -2.72 0.95 0.71 0.00 0.00 0.00 175.76 174.69 2kdg s TYR 321 N 4.31 3.43 0.12 0.00 2.02 0.18 -1.32 117.35 126.09 2kdg s TYR 321 Ca 0.27 1.43 -0.07 0.00 -0.37 0.00 0.00 57.07 58.34 2kdg s TYR 321 Cb -0.14 -2.75 -0.01 0.00 -0.40 0.00 0.00 41.96 38.65 2kdg s TYR 321 CO 0.14 -0.28 0.17 0.00 -1.57 0.00 0.00 175.55 174.02 2kdg s ALA 322 N -2.50 0.12 -0.03 3.71 0.00 -0.52 -1.70 121.76 120.84 2kdg s ALA 322 Ca 0.58 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2kdg s ALA 322 Cb -0.10 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.70 2kdg s ALA 322 CO 0.28 -0.54 0.04 0.00 0.00 0.00 0.00 175.76 175.54 2kdg s VAL 324 N 1.55 5.34 -0.16 0.00 1.01 -0.29 -0.91 120.40 126.95 2kdg s VAL 324 Ca -0.03 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 2kdg s VAL 324 Cb -0.13 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.75 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 -0.28 1.63 -0.00 5.51 0.00 -0.38 -2.29 121.76 125.95 2kdg s ALA 325 Ca 0.16 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2kdg s ALA 325 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2kdg s ALA 325 CO 0.04 -0.61 -0.09 0.15 0.00 0.00 0.00 175.76 175.25 2kdg s LYS 326 N 1.57 0.74 0.30 0.00 1.02 -1.25 -0.86 119.74 121.26 2kdg s LYS 326 Ca 0.02 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 55.71 2kdg s LYS 326 Cb -0.14 -0.71 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2kdg s LYS 326 CO -0.09 0.19 0.17 0.27 -0.92 0.00 0.00 175.35 174.98 2kdg n ASN 327 N 2.80 0.35 0.11 2.83 0.23 -0.56 -0.93 115.26 120.09 2kdg n ASN 327 Ca -0.14 -2.77 0.08 0.00 -0.53 0.00 0.00 54.58 51.22 2kdg n ASN 327 Cb 0.57 1.08 0.41 0.00 -2.08 0.00 0.00 39.78 39.76 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 -0.64 0.10 -0.03 -3.83 1.85 -1.26 -2.81 116.66 110.05 2kdg n ARG 328 Ca 0.00 0.54 0.04 0.00 -1.00 0.00 0.00 57.85 57.44 2kdg n ARG 328 Cb 0.49 -1.80 -0.13 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 -1.69 2.38 0.00 2.89 0.00 -1.26 -5.10 120.51 117.73 2kdg n ALA 329 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2kdg n ALA 329 Cb 0.06 -0.47 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 1.64 -1.02 3.02 0.00 0.00 -1.12 -4.57 105.19 103.15 2kdg n GLY 330 Ca -0.09 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.92 0.49 0.16 1.61 2.12 -1.26 -1.50 118.70 119.40 2kdg s GLU 331 Ca 0.00 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 2kdg s GLU 331 Cb 0.00 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 2kdg s GLU 331 CO 0.00 0.08 0.10 0.00 -0.54 0.00 0.00 175.26 174.90 2kdg s ALA 332 N -0.89 0.89 -0.01 6.30 0.00 -0.04 -4.77 121.76 123.24 2kdg s ALA 332 Ca -0.05 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 2kdg s ALA 332 Cb -0.07 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.10 2kdg s ALA 332 CO 0.00 -0.54 0.16 0.99 0.00 0.00 0.00 175.76 176.37 2kdg s THR 333 N -4.08 0.07 0.07 0.00 2.01 -1.26 -1.25 115.64 111.20 2kdg s THR 333 Ca 0.29 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.74 2kdg s THR 333 Cb 0.07 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 2kdg s THR 333 CO 0.05 -0.32 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.18 2kdg s PHE 334 N -1.19 1.08 -0.01 4.92 0.08 -0.09 -4.87 117.98 117.89 2kdg s PHE 334 Ca -0.13 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.37 2kdg s PHE 334 Cb -0.07 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 2kdg s PHE 334 CO 0.02 0.02 0.11 0.99 -0.10 0.00 0.00 175.22 176.25 2kdg s THR 335 N -1.54 0.05 0.07 0.64 2.01 -1.26 -0.93 115.64 114.68 2kdg s THR 335 Ca -0.02 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2kdg s THR 335 Cb -0.09 -0.30 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2kdg s THR 335 CO 0.02 -0.25 0.44 0.54 -0.69 0.00 0.00 174.62 174.68 2kdg s VAL 336 N -0.82 0.05 -0.04 3.82 0.11 -0.69 -4.74 120.40 118.09 2kdg s VAL 336 Ca -0.09 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2kdg s VAL 336 Cb -0.05 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2kdg s VAL 336 CO 0.01 -0.24 -0.07 -1.58 -3.33 0.00 0.00 175.10 169.88 2kdg s GLN 337 N -2.89 2.66 -0.27 1.54 0.74 -1.26 -0.64 119.66 119.53 2kdg s GLN 337 Ca -0.03 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.78 2kdg s GLN 337 Cb -0.00 -2.54 0.07 0.00 1.10 0.00 0.00 33.01 31.64 2kdg s GLN 337 CO -0.05 0.64 -0.03 -1.17 -0.55 0.00 0.00 175.29 174.13 2kdg s LEU 338 N -1.01 3.15 -1.08 3.68 2.96 -0.21 -0.69 118.68 125.49 2kdg s LEU 338 Ca 0.14 -1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 52.44 2kdg s LEU 338 Cb -0.11 -1.31 0.21 0.00 0.50 0.00 0.00 46.19 45.48 2kdg s LEU 338 CO 0.03 -0.28 1.18 -0.62 -1.32 0.00 0.00 176.35 175.35 2kdg s ASP 339 N 1.26 7.04 -0.18 3.68 2.15 -0.15 -1.42 116.67 129.06 2kdg s ASP 339 Ca -0.01 -3.00 -0.29 0.00 0.43 0.00 0.00 52.55 49.68 2kdg s ASP 339 Cb -0.19 -2.31 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 2kdg s ASP 339 CO -0.08 -0.62 1.93 -0.69 -0.17 0.00 0.00 175.17 175.54 2kdg s VAL 340 N 0.61 3.28 -0.77 1.11 1.01 -1.26 -3.30 120.40 121.09 2kdg s VAL 340 Ca 0.34 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 2kdg s VAL 340 Cb -0.07 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2kdg s VAL 340 CO -0.05 -0.15 1.52 -0.76 0.00 0.00 0.00 175.10 175.66 2kdg s LEU 341 N 6.40 3.25 0.67 3.92 1.43 0.05 -4.86 118.68 129.54 2kdg s LEU 341 Ca 0.87 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.37 2kdg s LEU 341 Cb -0.31 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2kdg s LEU 341 CO 0.35 -2.01 1.24 0.00 0.23 0.00 0.00 176.35 176.16 2kdg s ALA 342 N 6.86 2.31 -0.42 4.21 0.00 -1.26 -1.27 121.76 132.19 2kdg s ALA 342 Ca 0.48 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.53 2kdg s ALA 342 Cb -0.08 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.72 2kdg s ALA 342 CO 0.11 -1.61 0.41 1.17 0.00 0.00 0.00 175.76 175.84 2kdg n LYS 343 N -2.15 0.27 0.00 0.00 4.81 -1.26 -4.86 118.16 114.97 2kdg n LYS 343 Ca 0.14 -3.01 0.03 0.00 -0.87 0.00 0.00 58.31 54.60 2kdg n LYS 343 Cb 0.49 -1.61 0.16 0.00 0.02 0.00 0.00 35.03 34.09 2kdg n LYS 343 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72