#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 1.96 0.33 4.61 0.00 -1.26 -5.08 121.76 122.32 2kdg s ALA -3 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 2kdg s ALA -3 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2kdg s ALA -3 CO 0.00 -2.11 0.52 0.00 0.00 0.00 0.00 175.76 174.17 2kdg s MET -2 N -4.50 1.89 -0.04 0.00 0.23 -1.26 -5.05 119.30 110.57 2kdg s MET -2 Ca 0.67 -1.61 -0.31 0.00 -1.03 0.00 0.00 55.69 53.42 2kdg s MET -2 Cb -0.22 0.48 0.12 0.00 -1.53 0.00 0.00 34.83 33.68 2kdg s MET -2 CO 0.53 -0.80 1.33 0.20 -2.03 0.00 0.00 175.02 174.24 2kdg s GLY -1 N -3.17 -0.37 0.77 3.16 0.00 -0.27 -4.98 107.32 102.48 2kdg s GLY -1 Ca 0.27 0.59 -0.11 0.00 0.00 0.00 0.00 44.72 45.47 2kdg s GLY -1 CO 0.17 1.57 1.10 2.56 0.00 0.00 0.00 173.10 178.49 2kdg s PRO 249 N -2.23 2.22 0.91 2.90 0.04 -1.26 -1.67 135.00 135.91 2kdg s PRO 249 Ca 0.18 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 2kdg s PRO 249 Cb 0.04 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.83 2kdg s PRO 249 CO -0.04 -1.68 1.09 -1.25 0.04 0.00 0.00 177.00 175.17 2kdg s PRO 250 N -4.81 1.13 0.01 0.56 0.04 -1.26 -4.17 135.00 126.50 2kdg s PRO 250 Ca 0.62 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 2kdg s PRO 250 Cb -0.18 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2kdg s PRO 250 CO 0.55 -2.30 0.01 0.50 0.04 0.00 0.00 177.00 175.79 2kdg s ARG 251 N -4.96 0.25 -1.10 4.56 6.06 -1.23 -4.69 118.95 117.83 2kdg s ARG 251 Ca 0.64 -0.40 -0.08 0.00 -2.50 0.00 0.00 55.73 53.39 2kdg s ARG 251 Cb -0.18 0.09 -0.10 0.00 0.06 0.00 0.00 34.95 34.82 2kdg s ARG 251 CO 0.57 -0.04 2.75 1.19 -2.50 0.00 0.00 175.30 177.26 2kdg n PHE 252 N 1.99 1.64 0.45 5.12 3.01 -1.26 -3.87 117.46 124.54 2kdg n PHE 252 Ca -0.21 -2.41 -0.19 0.00 1.01 0.00 0.00 57.45 55.66 2kdg n PHE 252 Cb 0.56 -2.04 -0.09 0.00 -0.01 0.00 0.00 39.48 37.90 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 2.97 0.15 -2.82 4.37 1.08 -1.98 -3.47 117.51 117.81 2kdg h ILE 253 Ca 0.63 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.98 2kdg h ILE 253 Cb 0.44 0.16 -0.17 0.00 -3.07 0.00 0.00 36.82 34.18 2kdg h ILE 253 CO 1.39 0.00 -0.05 -1.58 -0.69 0.00 0.00 178.15 177.22 2kdg s GLN 254 N -5.88 0.93 0.12 2.37 0.74 -1.22 -5.01 119.66 111.71 2kdg s GLN 254 Ca -0.18 -0.22 0.05 0.00 0.05 0.00 0.00 55.36 55.06 2kdg s GLN 254 Cb 0.03 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.52 2kdg s GLN 254 CO 0.59 -0.31 -0.12 0.14 -0.55 0.00 0.00 175.29 175.04 2kdg s VAL 255 N -2.11 1.16 0.83 1.34 -7.23 -1.26 -3.62 120.40 109.51 2kdg s VAL 255 Ca -0.07 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 2kdg s VAL 255 Cb -0.01 -1.50 0.09 0.00 0.56 0.00 0.00 36.38 35.52 2kdg s VAL 255 CO 0.01 -0.51 1.11 -2.16 -0.31 0.00 0.00 175.10 173.23 2kdg s PRO 256 N -2.85 1.81 1.09 4.82 0.04 -1.26 -5.09 135.00 133.57 2kdg s PRO 256 Ca 0.08 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.51 2kdg s PRO 256 Cb -0.03 -1.89 0.24 0.00 0.04 0.00 0.00 34.50 32.86 2kdg s PRO 256 CO 0.02 -1.79 1.17 -1.21 0.04 0.00 0.00 177.00 175.22 2kdg s GLU 257 N -5.18 -0.37 0.72 4.56 2.02 -1.26 -4.89 118.70 114.30 2kdg s GLU 257 Ca 0.62 -0.08 -0.16 0.00 0.02 0.00 0.00 54.97 55.37 2kdg s GLU 257 Cb -0.15 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.41 2kdg s GLU 257 CO 0.54 -3.14 1.19 0.27 0.02 0.00 0.00 175.26 174.14 2kdg n ASN 258 N -4.35 1.36 -4.21 -0.19 6.94 -1.26 -4.72 115.26 108.83 2kdg n ASN 258 Ca 0.12 0.71 -0.14 0.00 -0.02 0.00 0.00 54.58 55.25 2kdg n ASN 258 Cb 0.59 -1.51 -0.10 0.00 -2.36 0.00 0.00 39.78 36.40 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 -3.64 0.93 -0.09 -3.83 -1.94 -0.09 -5.00 119.30 105.66 2kdg s MET 259 Ca 0.77 -1.28 -0.07 0.00 -1.71 0.00 0.00 55.69 53.41 2kdg s MET 259 Cb -0.34 -0.57 0.03 0.00 2.01 0.00 0.00 34.83 35.96 2kdg s MET 259 CO 0.46 0.08 0.22 -1.54 -0.01 0.00 0.00 175.02 174.23 2kdg s SER 260 N -2.73 -0.23 -0.02 3.03 1.04 -1.26 -1.02 113.70 112.51 2kdg s SER 260 Ca 0.10 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2kdg s SER 260 Cb -0.01 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2kdg s SER 260 CO 0.00 -0.10 -0.00 -0.63 0.98 0.00 0.00 173.24 173.49 2kdg s ILE 261 N 0.48 0.13 0.19 -1.02 -1.09 -1.21 -4.97 121.20 113.70 2kdg s ILE 261 Ca -0.03 0.06 -0.31 0.00 -2.23 0.00 0.00 60.65 58.13 2kdg s ILE 261 Cb -0.04 -0.19 -0.10 0.00 -1.58 0.00 0.00 42.46 40.54 2kdg s ILE 261 CO -0.02 0.10 1.56 -0.62 -1.23 0.00 0.00 174.94 174.73 2kdg s ASP 262 N 0.69 6.56 0.13 3.58 2.15 -1.26 -0.75 116.67 127.78 2kdg s ASP 262 Ca -0.07 2.67 -0.35 0.00 0.43 0.00 0.00 52.55 55.23 2kdg s ASP 262 Cb -0.10 -2.60 -0.15 0.00 -0.30 0.00 0.00 42.92 39.77 2kdg s ASP 262 CO -0.01 -0.82 1.43 1.21 -0.17 0.00 0.00 175.17 176.80 2kdg n GLU 263 N 3.60 1.61 0.00 4.34 2.13 -0.33 -2.70 120.64 129.28 2kdg n GLU 263 Ca 0.13 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2kdg n GLU 263 Cb 0.38 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.83 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 2.83 0.61 3.78 8.31 0.00 0.00 -4.87 105.19 115.86 2kdg n GLY 264 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.82 2.33 0.49 1.61 0.52 -1.10 -4.53 118.95 117.46 2kdg s ARG 265 Ca 0.00 0.98 -0.21 0.00 -0.52 0.00 0.00 55.73 55.98 2kdg s ARG 265 Cb 0.00 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.48 2kdg s ARG 265 CO 0.00 -1.53 1.11 0.12 0.02 0.00 0.00 175.30 175.02 2kdg s PHE 266 N -2.99 2.86 0.04 -0.53 2.19 -1.24 -1.90 117.98 116.41 2kdg s PHE 266 Ca 0.60 1.56 -0.10 0.00 0.33 0.00 0.00 56.93 59.32 2kdg s PHE 266 Cb -0.16 -3.25 0.01 0.00 -1.31 0.00 0.00 43.02 38.31 2kdg s PHE 266 CO 0.56 -1.29 0.21 0.00 1.83 0.00 0.00 175.22 176.53 2kdg s ARG 268 N -2.52 1.15 0.23 0.00 1.70 -1.26 -0.68 118.95 117.57 2kdg s ARG 268 Ca -0.05 -1.28 0.02 0.00 -0.47 0.00 0.00 55.73 53.94 2kdg s ARG 268 Cb -0.01 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 2kdg s ARG 268 CO -0.04 -0.40 0.03 -1.64 -1.08 0.00 0.00 175.30 172.17 2kdg s MET 269 N -4.01 1.31 -0.11 3.89 -1.94 -0.35 -5.00 119.30 113.10 2kdg s MET 269 Ca 0.21 -1.68 -0.02 0.00 -1.71 0.00 0.00 55.69 52.50 2kdg s MET 269 Cb 0.04 -0.42 0.03 0.00 2.01 0.00 0.00 34.83 36.50 2kdg s MET 269 CO 0.02 -0.17 -0.00 -0.51 -0.01 0.00 0.00 175.02 174.35 2kdg s ASP 270 N -3.28 1.99 -0.33 3.03 1.01 -1.26 -3.59 116.67 114.24 2kdg s ASP 270 Ca 0.31 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.28 2kdg s ASP 270 Cb 0.07 -0.54 0.10 0.00 1.01 0.00 0.00 42.92 43.56 2kdg s ASP 270 CO 0.09 -0.21 0.09 -0.36 0.21 0.00 0.00 175.17 174.99 2kdg s PHE 271 N 1.91 2.41 0.02 4.23 0.08 -0.39 -4.26 117.98 121.97 2kdg s PHE 271 Ca 0.04 -2.19 -0.30 0.00 0.12 0.00 0.00 56.93 54.59 2kdg s PHE 271 Cb -0.13 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.11 2kdg s PHE 271 CO -0.06 -0.90 1.62 0.15 -0.10 0.00 0.00 175.22 175.93 2kdg s LYS 272 N 1.32 4.21 -0.26 0.44 1.02 -1.24 -0.94 119.74 124.29 2kdg s LYS 272 Ca 0.11 2.23 -0.03 0.00 0.02 0.00 0.00 55.97 58.29 2kdg s LYS 272 Cb -0.18 -3.73 0.10 0.00 -0.52 0.00 0.00 37.83 33.50 2kdg s LYS 272 CO -0.18 -0.75 0.18 0.54 -0.92 0.00 0.00 175.35 174.21 2kdg s VAL 273 N 3.10 -0.19 0.80 3.17 0.11 -0.00 -3.37 120.40 124.02 2kdg s VAL 273 Ca 0.72 -0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 59.11 2kdg s VAL 273 Cb -0.36 -0.89 0.19 0.00 -1.53 0.00 0.00 36.38 33.79 2kdg s VAL 273 CO 0.31 -0.54 0.91 -0.24 -3.33 0.00 0.00 175.10 172.21 2kdg n SER 274 N 5.28 -0.73 0.00 3.54 2.88 -1.25 -4.49 113.62 118.85 2kdg n SER 274 Ca -0.05 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 2kdg n SER 274 Cb 0.45 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.05 3.09 3.17 0.46 0.00 -1.26 -3.56 105.19 105.05 2kdg n GLY 275 Ca 0.12 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 0.02 1.06 0.99 2.96 -0.67 -4.42 118.68 118.62 2kdg s LEU 276 Ca 0.00 0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 54.53 2kdg s LEU 276 Cb 0.00 1.08 0.23 0.00 0.50 0.00 0.00 46.19 48.00 2kdg s LEU 276 CO 0.00 -0.19 1.07 -2.16 -1.32 0.00 0.00 176.35 173.75 2kdg s PRO 277 N 1.54 -0.09 0.02 0.98 0.04 -1.26 -1.11 135.00 135.11 2kdg s PRO 277 Ca -0.08 0.61 -0.33 0.00 0.04 0.00 0.00 61.00 61.25 2kdg s PRO 277 Cb -0.10 -1.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.66 2kdg s PRO 277 CO -0.11 -3.11 1.85 0.00 0.04 0.00 0.00 177.00 175.67 2kdg n ALA 278 N -4.45 1.38 -1.71 8.56 0.00 -1.26 -4.83 120.51 118.20 2kdg n ALA 278 Ca 0.04 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 2kdg n ALA 278 Cb 0.56 -2.54 0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 3.43 3.28 0.41 0.00 0.04 -1.26 -4.91 135.00 135.99 2kdg s PRO 279 Ca 0.88 1.51 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 2kdg s PRO 279 Cb -0.59 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 2kdg s PRO 279 CO 0.45 -0.89 1.10 0.34 0.04 0.00 0.00 177.00 178.04 2kdg s ASP 280 N -2.03 6.57 -0.48 6.66 2.15 -0.08 -4.79 116.67 124.67 2kdg s ASP 280 Ca 0.70 2.16 0.03 0.00 0.43 0.00 0.00 52.55 55.88 2kdg s ASP 280 Cb -0.22 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 39.95 2kdg s ASP 280 CO 0.30 -0.63 0.30 0.68 -0.17 0.00 0.00 175.17 175.66 2kdg s VAL 281 N -1.58 1.49 -0.31 1.11 -7.23 -1.26 -1.10 120.40 111.53 2kdg s VAL 281 Ca 0.59 -2.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.58 2kdg s VAL 281 Cb -0.25 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.67 2kdg s VAL 281 CO 0.31 -0.98 1.15 -0.44 -0.31 0.00 0.00 175.10 174.84 2kdg s SER 282 N -0.03 6.85 0.35 4.85 0.01 -0.88 -4.87 113.70 119.98 2kdg s SER 282 Ca 0.22 1.12 -0.06 0.00 1.31 0.00 0.00 55.95 58.54 2kdg s SER 282 Cb -0.16 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2kdg s SER 282 CO -0.06 -0.94 0.64 0.26 0.41 0.00 0.00 173.24 173.54 2kdg s TRP 283 N 3.87 3.49 0.09 2.43 0.52 -1.25 -0.98 118.94 127.10 2kdg s TRP 283 Ca 0.49 0.74 -0.07 0.00 0.02 0.00 0.00 56.10 57.29 2kdg s TRP 283 Cb -0.14 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 2kdg s TRP 283 CO 0.18 0.04 0.15 0.71 0.02 0.00 0.00 176.95 178.05 2kdg s TYR 284 N -2.26 0.27 -0.14 -1.98 1.51 0.30 -1.05 117.35 114.01 2kdg s TYR 284 Ca 0.46 -0.72 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2kdg s TYR 284 Cb -0.10 -0.14 0.07 0.00 -0.11 0.00 0.00 41.96 41.67 2kdg s TYR 284 CO 0.33 -0.52 0.27 -1.17 -1.11 0.00 0.00 175.55 173.35 2kdg s LEU 285 N -2.89 -0.33 -0.83 -1.29 2.96 0.08 -1.42 118.68 114.96 2kdg s LEU 285 Ca 0.07 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2kdg s LEU 285 Cb 0.05 0.74 0.00 0.00 0.50 0.00 0.00 46.19 47.49 2kdg s LEU 285 CO -0.10 -0.24 0.00 0.59 -1.32 0.00 0.00 176.35 175.28 2kdg n ASN 286 N 5.35 -4.29 0.00 3.68 3.02 -0.29 -1.62 115.26 121.11 2kdg n ASN 286 Ca -0.06 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2kdg n ASN 286 Cb 0.50 -3.25 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 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 0.23 1.39 3.90 7.41 0.00 -1.26 -5.07 105.19 111.78 2kdg n GLY 287 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.57 3.56 0.70 1.61 0.52 -0.64 -5.10 118.95 119.04 2kdg s ARG 288 Ca 0.00 0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 55.34 2kdg s ARG 288 Cb 0.00 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 33.12 2kdg s ARG 288 CO 0.00 -0.21 1.07 0.95 0.02 0.00 0.00 175.30 177.13 2kdg s THR 289 N -2.73 3.77 0.02 0.02 -4.23 -1.26 -0.75 115.64 110.48 2kdg s THR 289 Ca 0.48 0.62 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 2kdg s THR 289 Cb -0.10 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 2kdg s THR 289 CO 0.44 -0.71 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.07 2kdg s VAL 290 N -2.90 0.37 0.23 2.29 1.01 -0.21 -4.61 120.40 116.58 2kdg s VAL 290 Ca 0.60 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2kdg s VAL 290 Cb -0.15 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 2kdg s VAL 290 CO 0.53 -0.20 -0.07 -1.10 0.00 0.00 0.00 175.10 174.25 2kdg s GLN 291 N -0.92 1.38 0.62 2.72 -0.21 -1.26 -3.91 119.66 118.07 2kdg s GLN 291 Ca -0.06 -1.67 -0.17 0.00 0.02 0.00 0.00 55.36 53.48 2kdg s GLN 291 Cb -0.06 -0.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.99 2kdg s GLN 291 CO -0.00 0.04 1.14 -1.54 -2.12 0.00 0.00 175.29 172.81 2kdg s SER 292 N -3.34 5.22 0.22 5.90 1.04 -1.26 -4.96 113.70 116.52 2kdg s SER 292 Ca 0.26 2.15 -0.13 0.00 0.48 0.00 0.00 55.95 58.70 2kdg s SER 292 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2kdg s SER 292 CO 0.08 -1.56 0.46 -0.62 0.98 0.00 0.00 173.24 172.59 2kdg s ASP 293 N -2.12 -0.11 0.40 7.02 2.15 -0.62 -4.96 116.67 118.42 2kdg s ASP 293 Ca 0.71 -0.82 0.10 0.00 0.43 0.00 0.00 52.55 52.97 2kdg s ASP 293 Cb -0.24 0.57 0.89 0.00 -0.30 0.00 0.00 42.92 43.84 2kdg s ASP 293 CO 0.36 -1.09 1.96 -0.78 -0.17 0.00 0.00 175.17 175.44 2kdg h ASP 294 N 2.28 0.52 0.98 -0.34 3.58 -2.01 -1.62 116.42 119.82 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 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kdg h ASP 294 CO 0.37 0.31 -0.31 0.18 -2.88 0.00 0.00 179.24 176.91 2kdg n LEU 295 N -4.49 0.56 -3.26 2.28 4.77 -1.26 -4.57 117.00 111.03 2kdg n LEU 295 Ca 0.11 0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 56.17 2kdg n LEU 295 Cb 0.33 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2kdg n LEU 295 CO 0.33 -0.04 -0.24 1.41 -1.33 0.00 0.00 177.39 177.52 2kdg n HIS 296 N -1.92 0.25 -2.37 -1.77 8.25 -0.62 -0.98 115.22 116.06 2kdg n HIS 296 Ca 0.05 -3.64 -0.36 0.00 -0.26 0.00 0.00 57.72 53.51 2kdg n HIS 296 Cb 0.40 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.26 3.80 -0.21 -0.41 1.02 -1.16 -1.59 119.74 119.93 2kdg s LYS 297 Ca 0.35 1.62 -0.04 0.00 0.02 0.00 0.00 55.97 57.92 2kdg s LYS 297 Cb 0.15 -2.32 0.08 0.00 -0.52 0.00 0.00 37.83 35.22 2kdg s LYS 297 CO -0.10 -0.48 0.14 -1.64 -0.92 0.00 0.00 175.35 172.34 2kdg s MET 298 N -2.83 0.13 0.06 1.68 -1.94 -1.26 -2.01 119.30 113.14 2kdg s MET 298 Ca 0.64 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.51 2kdg s MET 298 Cb -0.24 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.08 2kdg s MET 298 CO 0.29 -0.76 -0.05 0.96 -0.01 0.00 0.00 175.02 175.45 2kdg s ILE 299 N 2.18 0.42 -0.15 2.53 -0.00 -1.04 -5.04 121.20 120.10 2kdg s ILE 299 Ca 0.05 -1.69 -0.02 0.00 -0.00 0.00 0.00 60.65 58.99 2kdg s ILE 299 Cb -0.16 -1.36 0.05 0.00 -0.00 0.00 0.00 42.46 40.99 2kdg s ILE 299 CO -0.17 -0.84 0.01 -0.69 -0.00 0.00 0.00 174.94 173.25 2kdg s VAL 300 N -3.29 0.59 0.56 8.37 1.01 -1.26 -0.85 120.40 125.53 2kdg s VAL 300 Ca 0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 2kdg s VAL 300 Cb 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2kdg s VAL 300 CO -0.06 -0.01 1.11 -0.44 0.00 0.00 0.00 175.10 175.71 2kdg s SER 301 N 1.85 5.65 0.47 3.32 0.01 -0.26 -4.92 113.70 119.81 2kdg s SER 301 Ca 0.01 2.10 0.15 0.00 1.31 0.00 0.00 55.95 59.53 2kdg s SER 301 Cb -0.15 -2.57 1.13 0.00 0.21 0.00 0.00 66.02 64.63 2kdg s SER 301 CO -0.07 -1.27 2.03 -0.08 0.41 0.00 0.00 173.24 174.27 2kdg h GLU 302 N 0.95 0.25 0.00 12.44 4.81 -2.01 -1.27 114.58 129.75 2kdg h GLU 302 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2kdg h GLU 302 Cb 1.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2kdg h GLU 302 CO 0.56 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.64 2kdg n LYS 303 N -4.47 0.36 -1.32 1.92 4.76 -1.26 -4.88 118.16 113.27 2kdg n LYS 303 Ca 0.06 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2kdg n LYS 303 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 0.10 0.46 2.79 0.72 0.00 -0.48 -4.94 105.19 103.84 2kdg n GLY 304 Ca 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.31 2.20 -0.12 0.99 2.96 -1.20 -0.82 118.68 121.37 2kdg s LEU 305 Ca 0.00 -1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 52.25 2kdg s LEU 305 Cb 0.00 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 2kdg s LEU 305 CO 0.00 -0.36 0.85 -2.28 -1.32 0.00 0.00 176.35 173.24 2kdg s HIS 306 N 1.59 3.49 -0.06 5.38 5.65 -0.11 -1.11 115.29 130.12 2kdg s HIS 306 Ca 0.05 1.35 -0.03 0.00 0.25 0.00 0.00 55.06 56.68 2kdg s HIS 306 Cb -0.18 -3.01 -0.04 0.00 -1.18 0.00 0.00 32.58 28.18 2kdg s HIS 306 CO -0.17 -0.15 0.10 -1.12 -0.65 0.00 0.00 174.74 172.76 2kdg s SER 307 N 1.06 5.92 -0.08 9.88 0.01 -0.03 -1.26 113.70 129.19 2kdg s SER 307 Ca 0.41 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.96 2kdg s SER 307 Cb -0.18 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2kdg s SER 307 CO 0.16 0.34 -0.08 -0.22 0.41 0.00 0.00 173.24 173.84 2kdg s LEU 308 N -1.36 1.37 0.16 2.44 1.98 -1.24 -2.51 118.68 119.51 2kdg s LEU 308 Ca 0.19 -0.25 0.10 0.00 -2.89 0.00 0.00 54.13 51.28 2kdg s LEU 308 Cb -0.12 -0.73 -0.04 0.00 0.66 0.00 0.00 46.19 45.96 2kdg s LEU 308 CO 0.09 -0.05 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.64 2kdg s ILE 309 N 1.13 2.09 -0.21 6.68 1.01 -0.85 -1.20 121.20 129.85 2kdg s ILE 309 Ca -0.06 -1.85 -0.01 0.00 0.00 0.00 0.00 60.65 58.72 2kdg s ILE 309 Cb -0.14 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.46 2kdg s ILE 309 CO -0.01 -0.10 -0.00 -0.36 0.00 0.00 0.00 174.94 174.46 2kdg s PHE 310 N -1.52 1.59 0.19 3.97 0.40 0.15 -3.75 117.98 119.01 2kdg s PHE 310 Ca 0.15 -1.23 -0.07 0.00 -0.60 0.00 0.00 56.93 55.18 2kdg s PHE 310 Cb -0.08 -1.25 0.11 0.00 0.51 0.00 0.00 43.02 42.30 2kdg s PHE 310 CO 0.07 -0.68 1.62 0.93 0.70 0.00 0.00 175.22 177.86 2kdg h GLU 311 N 8.13 0.93 -1.69 0.44 4.39 -1.32 -0.43 114.58 125.02 2kdg h GLU 311 Ca -0.17 -0.35 -0.30 0.00 0.34 0.00 0.00 59.36 58.88 2kdg h GLU 311 Cb 1.10 -0.05 -0.28 0.00 -0.10 0.00 0.00 28.75 29.42 2kdg h GLU 311 CO 0.37 1.01 -0.64 0.54 -1.16 0.00 0.00 179.01 179.12 2kdg s VAL 312 N -4.76 -0.48 0.35 3.13 0.11 -1.25 -3.68 120.40 113.82 2kdg s VAL 312 Ca -0.11 -0.94 -0.27 0.00 -2.93 0.00 0.00 61.98 57.73 2kdg s VAL 312 Cb 0.13 -0.51 -0.09 0.00 -1.53 0.00 0.00 36.38 34.38 2kdg s VAL 312 CO 0.85 -0.46 1.19 0.54 -3.33 0.00 0.00 175.10 173.88 2kdg s VAL 313 N 1.32 3.13 0.25 2.04 0.11 -0.80 -4.84 120.40 121.62 2kdg s VAL 313 Ca 0.20 1.06 0.07 0.00 -2.93 0.00 0.00 61.98 60.37 2kdg s VAL 313 Cb -0.10 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 2kdg s VAL 313 CO -0.05 0.19 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.69 2kdg s ARG 314 N -1.92 1.47 0.49 1.54 1.81 -1.26 -0.82 118.95 120.26 2kdg s ARG 314 Ca 0.51 -1.72 0.17 0.00 -1.72 0.00 0.00 55.73 52.98 2kdg s ARG 314 Cb -0.33 -1.12 1.20 0.00 -0.45 0.00 0.00 34.95 34.24 2kdg s ARG 314 CO 0.43 0.08 2.04 0.00 -0.68 0.00 0.00 175.30 177.17 2kdg h ALA 315 N 2.38 2.14 0.00 2.13 0.00 -1.95 -0.76 119.26 123.20 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 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kdg h ALA 315 CO 0.65 -0.23 0.00 0.77 0.00 0.00 0.00 179.25 180.44 2kdg h SER 316 N 0.18 0.00 0.44 0.00 0.02 -1.97 -2.93 113.55 109.29 2kdg h SER 316 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2kdg h SER 316 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kdg h SER 316 CO -0.03 0.00 -0.07 0.47 -1.14 0.00 0.00 176.83 176.06 2kdg n ASP 317 N -2.44 0.28 -4.75 3.07 8.00 -0.29 -4.93 116.55 115.49 2kdg n ASP 317 Ca 0.01 -0.40 -0.36 0.00 0.71 0.00 0.00 54.79 54.75 2kdg n ASP 317 Cb 0.21 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.52 2.55 0.00 2.24 0.00 -1.11 -4.94 121.76 117.98 2kdg s ALA 318 Ca 0.29 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2kdg s ALA 318 Cb 0.20 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2kdg s ALA 318 CO 0.47 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2kdg n GLY 319 N 0.45 0.93 3.55 0.00 0.00 -0.37 -5.00 105.19 104.75 2kdg n GLY 319 Ca 0.13 -2.01 -0.41 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 -1.09 2.75 0.51 4.61 0.00 -1.26 -1.42 121.76 125.85 2kdg s ALA 320 Ca 0.00 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.22 2kdg s ALA 320 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 23.12 18.74 2kdg s ALA 320 CO 0.00 -3.35 1.05 0.71 0.00 0.00 0.00 175.76 174.17 2kdg s TYR 321 N 5.57 2.98 0.10 0.00 2.02 0.08 -1.14 117.35 126.95 2kdg s TYR 321 Ca 0.37 1.56 -0.06 0.00 -0.37 0.00 0.00 57.07 58.57 2kdg s TYR 321 Cb -0.07 -3.07 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 2kdg s TYR 321 CO 0.10 -0.93 0.16 0.00 -1.57 0.00 0.00 175.55 173.30 2kdg s ALA 322 N -2.06 0.09 -0.01 3.71 0.00 -0.51 -1.45 121.76 121.54 2kdg s ALA 322 Ca 0.67 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2kdg s ALA 322 Cb -0.17 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2kdg s ALA 322 CO 0.24 -0.51 -0.03 0.00 0.00 0.00 0.00 175.76 175.45 2kdg s VAL 324 N 0.02 2.65 -0.29 0.00 1.01 -0.15 -1.07 120.40 122.57 2kdg s VAL 324 Ca 0.00 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 59.89 2kdg s VAL 324 Cb -0.03 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2kdg s VAL 324 CO -0.00 -0.37 0.65 0.00 0.00 0.00 0.00 175.10 175.38 2kdg s ALA 325 N 1.09 3.55 -0.05 5.51 0.00 -0.23 -2.06 121.76 129.57 2kdg s ALA 325 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2kdg s ALA 325 Cb -0.20 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2kdg s ALA 325 CO -0.05 -1.02 -0.11 0.15 0.00 0.00 0.00 175.76 174.73 2kdg s LYS 326 N 2.63 1.41 0.40 0.00 1.02 -0.26 -0.88 119.74 124.05 2kdg s LYS 326 Ca 0.26 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.90 2kdg s LYS 326 Cb -0.15 -1.23 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2kdg s LYS 326 CO 0.11 0.08 0.12 0.27 -0.92 0.00 0.00 175.35 175.01 2kdg n ASN 327 N 3.56 1.44 0.08 2.83 0.23 -0.61 -0.90 115.26 121.89 2kdg n ASN 327 Ca -0.21 -3.06 0.06 0.00 -0.53 0.00 0.00 54.58 50.84 2kdg n ASN 327 Cb 0.53 0.91 0.30 0.00 -2.08 0.00 0.00 39.78 39.43 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 -0.91 0.07 -0.01 -3.83 1.85 -1.26 -2.87 116.66 109.71 2kdg n ARG 328 Ca -0.07 0.53 0.05 0.00 -1.00 0.00 0.00 57.85 57.36 2kdg n ARG 328 Cb 0.58 -1.71 -0.08 0.00 -1.05 0.00 0.00 32.46 30.20 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 -1.63 2.40 0.00 2.89 0.00 -1.26 -5.09 120.51 117.82 2kdg n ALA 329 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2kdg n ALA 329 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.89 -1.24 3.04 0.00 0.00 -1.14 -4.53 105.19 103.21 2kdg n GLY 330 Ca -0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.71 0.62 0.17 1.61 2.12 -1.26 -1.57 118.70 119.67 2kdg s GLU 331 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2kdg s GLU 331 Cb 0.00 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 2kdg s GLU 331 CO 0.00 0.14 0.05 0.00 -0.54 0.00 0.00 175.26 174.90 2kdg s ALA 332 N -0.62 1.19 -0.02 6.30 0.00 -0.06 -4.80 121.76 123.75 2kdg s ALA 332 Ca -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2kdg s ALA 332 Cb -0.06 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2kdg s ALA 332 CO 0.00 -0.43 0.05 0.99 0.00 0.00 0.00 175.76 176.38 2kdg s THR 333 N -3.86 0.02 0.06 0.00 2.01 -1.26 -1.06 115.64 111.53 2kdg s THR 333 Ca 0.27 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2kdg s THR 333 Cb 0.07 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 2kdg s THR 333 CO 0.05 -0.07 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.45 2kdg s PHE 334 N -0.20 0.84 -0.03 4.92 0.40 -0.23 -4.93 117.98 118.75 2kdg s PHE 334 Ca -0.02 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 2kdg s PHE 334 Cb -0.02 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 43.04 2kdg s PHE 334 CO 0.00 -0.05 0.21 0.99 0.70 0.00 0.00 175.22 177.07 2kdg s THR 335 N -1.55 0.05 -0.08 0.64 2.01 -1.26 -0.78 115.64 114.67 2kdg s THR 335 Ca -0.06 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 2kdg s THR 335 Cb -0.09 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 72.02 2kdg s THR 335 CO 0.01 -0.23 0.44 0.54 -0.69 0.00 0.00 174.62 174.69 2kdg s VAL 336 N -0.90 0.03 -0.22 3.82 0.11 -0.53 -4.70 120.40 118.01 2kdg s VAL 336 Ca -0.10 -0.21 -0.10 0.00 -2.93 0.00 0.00 61.98 58.64 2kdg s VAL 336 Cb -0.05 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 2kdg s VAL 336 CO 0.02 -0.12 0.14 -1.58 -3.33 0.00 0.00 175.10 170.23 2kdg s GLN 337 N -0.78 4.12 -0.29 1.54 2.00 -1.26 -0.74 119.66 124.25 2kdg s GLN 337 Ca -0.09 -0.25 0.03 0.00 -2.00 0.00 0.00 55.36 53.05 2kdg s GLN 337 Cb -0.03 -3.47 0.08 0.00 0.80 0.00 0.00 33.01 30.38 2kdg s GLN 337 CO 0.04 0.18 -0.03 -1.17 -0.50 0.00 0.00 175.29 173.81 2kdg s LEU 338 N 0.71 3.82 -1.01 3.68 2.96 -0.51 -0.91 118.68 127.43 2kdg s LEU 338 Ca 0.08 -1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 52.15 2kdg s LEU 338 Cb -0.12 -1.51 0.19 0.00 0.50 0.00 0.00 46.19 45.24 2kdg s LEU 338 CO 0.01 -0.28 1.13 -0.62 -1.32 0.00 0.00 176.35 175.27 2kdg s ASP 339 N 1.08 6.89 -0.16 3.68 2.15 -0.19 -1.24 116.67 128.88 2kdg s ASP 339 Ca 0.00 -2.70 -0.29 0.00 0.43 0.00 0.00 52.55 49.99 2kdg s ASP 339 Cb -0.19 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2kdg s ASP 339 CO -0.07 -0.74 1.79 -0.69 -0.17 0.00 0.00 175.17 175.28 2kdg s VAL 340 N 1.17 3.45 -0.73 1.11 1.01 -1.26 -3.36 120.40 121.80 2kdg s VAL 340 Ca 0.32 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 2kdg s VAL 340 Cb -0.06 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2kdg s VAL 340 CO -0.07 -0.18 1.34 -0.76 0.00 0.00 0.00 175.10 175.44 2kdg s LEU 341 N 5.53 3.17 0.59 3.92 1.43 0.08 -4.83 118.68 128.56 2kdg s LEU 341 Ca 0.80 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.33 2kdg s LEU 341 Cb -0.30 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2kdg s LEU 341 CO 0.32 -1.90 1.34 0.00 0.23 0.00 0.00 176.35 176.34 2kdg n ALA 342 N 9.74 1.43 0.31 4.21 0.00 -1.26 -1.19 120.51 133.75 2kdg n ALA 342 Ca 0.05 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.71 2kdg n ALA 342 Cb 0.49 -2.35 0.41 0.00 0.00 0.00 0.00 19.45 18.01 2kdg n ALA 342 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2kdg h LYS 343 N 1.10 0.00 0.00 0.00 2.10 -1.95 -3.45 116.57 114.36 2kdg h LYS 343 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2kdg h LYS 343 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2kdg h LYS 343 CO 0.56 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.40