#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u41 s LEU 248 N 0.00 4.37 -0.16 1.20 1.43 -1.26 -4.76 118.68 119.49 1u41 s LEU 248 Ca 0.00 1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 54.20 1u41 s LEU 248 Cb 0.00 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1u41 s LEU 248 CO 0.00 -0.00 0.39 -0.75 0.23 0.00 0.00 176.35 176.22 1u41 s LYS 249 N 0.28 0.37 -0.21 1.70 2.20 -1.26 -4.26 119.74 118.56 1u41 s LYS 249 Ca 0.34 0.76 -0.24 0.00 -0.36 0.00 0.00 55.97 56.48 1u41 s LYS 249 Cb -0.18 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1u41 s LYS 249 CO 0.18 -0.16 0.78 0.42 -0.36 0.00 0.00 175.35 176.20 1u41 s ILE 250 N 1.39 4.90 -0.16 5.43 1.01 -1.26 -2.01 121.20 130.49 1u41 s ILE 250 Ca -0.10 1.48 -0.23 0.00 0.00 0.00 0.00 60.65 61.81 1u41 s ILE 250 Cb -0.09 -4.08 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 1u41 s ILE 250 CO -0.12 0.00 0.47 0.58 0.00 0.00 0.00 174.94 175.87 1u41 h VAL 251 N 5.30 1.22 -2.19 2.92 2.07 -0.78 -3.49 116.25 121.30 1u41 h VAL 251 Ca -0.27 -2.29 0.06 0.00 0.82 0.00 0.00 66.70 65.02 1u41 h VAL 251 Cb 1.12 2.71 -0.17 0.00 -1.52 0.00 0.00 31.29 33.42 1u41 h VAL 251 CO 0.83 0.50 0.41 0.00 0.02 0.00 0.00 177.57 179.33 1u41 s ARG 252 N -2.35 0.88 -0.01 1.57 1.70 -0.91 -5.01 118.95 114.83 1u41 s ARG 252 Ca -0.24 -0.14 0.04 0.00 -0.47 0.00 0.00 55.73 54.92 1u41 s ARG 252 Cb 0.03 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1u41 s ARG 252 CO 0.66 -0.35 -0.12 -1.64 -1.08 0.00 0.00 175.30 172.78 1u41 s MET 253 N -2.47 0.95 0.16 3.89 -1.94 -1.26 -0.64 119.30 118.00 1u41 s MET 253 Ca 0.00 -0.44 0.20 0.00 -1.71 0.00 0.00 55.69 53.74 1u41 s MET 253 Cb -0.01 -0.92 0.84 0.00 2.01 0.00 0.00 34.83 36.75 1u41 s MET 253 CO -0.04 0.25 1.62 -0.40 -0.01 0.00 0.00 175.02 176.44 1u41 n ASP 254 N 2.73 0.41 -3.80 3.03 5.75 -0.46 -4.56 116.55 119.66 1u41 n ASP 254 Ca -0.14 0.60 -0.13 0.00 -0.01 0.00 0.00 54.79 55.12 1u41 n ASP 254 Cb 0.56 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.84 1u41 n ASP 254 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1u41 s ARG 255 N -3.19 0.20 -0.02 0.11 1.81 -1.26 -4.98 118.95 111.62 1u41 s ARG 255 Ca 0.05 0.27 0.02 0.00 -1.72 0.00 0.00 55.73 54.35 1u41 s ARG 255 Cb 0.09 0.08 0.03 0.00 -0.45 0.00 0.00 34.95 34.71 1u41 s ARG 255 CO 0.34 -0.04 1.00 0.25 -0.68 0.00 0.00 175.30 176.17 1u41 n THR 256 N 3.09 1.06 -3.91 0.02 -2.24 -1.26 -5.00 114.28 106.03 1u41 n THR 256 Ca -0.14 -1.10 -0.09 0.00 -2.27 0.00 0.00 64.05 60.45 1u41 n THR 256 Cb 0.58 0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.16 1u41 n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u41 s ALA 257 N -1.17 -0.11 0.09 6.98 0.00 -1.26 -0.84 121.76 125.45 1u41 s ALA 257 Ca 0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 1u41 s ALA 257 Cb 0.03 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.52 1u41 s ALA 257 CO 0.00 -0.35 0.71 0.20 0.00 0.00 0.00 175.76 176.32 1u41 s GLY 258 N -2.26 -0.56 0.35 0.00 0.00 -0.43 -4.91 107.32 99.51 1u41 s GLY 258 Ca -0.03 0.74 -0.28 0.00 0.00 0.00 0.00 44.72 45.16 1u41 s GLY 258 CO -0.06 0.28 1.25 0.00 0.00 0.00 0.00 173.10 174.58 1u41 h VAL 260 N 2.84 0.08 0.00 0.00 -1.51 -1.70 -1.25 116.25 114.70 1u41 h VAL 260 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1u41 h VAL 260 Cb 1.23 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1u41 h VAL 260 CO 0.65 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.34 1u41 n THR 261 N -3.08 0.75 -4.49 7.19 -2.24 -1.26 -0.69 114.28 110.46 1u41 n THR 261 Ca -0.01 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.91 1u41 n THR 261 Cb 0.36 -0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1u41 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u41 n GLY 262 N 0.36 -1.33 2.12 3.38 0.00 -0.48 -4.39 105.19 104.87 1u41 n GLY 262 Ca 0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.92 1u41 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u41 n GLY 263 N -0.18 0.46 3.77 -0.02 0.00 0.24 -4.91 105.19 104.55 1u41 n GLY 263 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1u41 n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u41 s GLU 264 N -0.58 4.16 0.14 1.61 2.02 -1.26 -4.70 118.70 120.09 1u41 s GLU 264 Ca 0.00 0.40 -0.28 0.00 0.02 0.00 0.00 54.97 55.11 1u41 s GLU 264 Cb 0.00 -3.34 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1u41 s GLU 264 CO 0.00 0.39 0.87 -2.00 0.02 0.00 0.00 175.26 174.54 1u41 s GLU 265 N -0.12 4.66 0.04 1.61 2.12 -1.26 -0.73 118.70 125.01 1u41 s GLU 265 Ca 0.24 1.31 0.03 0.00 0.36 0.00 0.00 54.97 56.91 1u41 s GLU 265 Cb -0.16 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1u41 s GLU 265 CO 0.11 0.38 -0.10 0.42 -0.54 0.00 0.00 175.26 175.53 1u41 s ILE 266 N -0.56 0.77 -0.23 -3.70 1.01 0.11 -4.97 121.20 113.64 1u41 s ILE 266 Ca 0.41 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1u41 s ILE 266 Cb -0.23 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1u41 s ILE 266 CO 0.28 -0.14 0.04 -0.31 0.00 0.00 0.00 174.94 174.81 1u41 s TYR 267 N -0.95 3.06 -0.13 3.97 1.51 -1.26 -1.74 117.35 121.82 1u41 s TYR 267 Ca -0.03 -0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1u41 s TYR 267 Cb -0.08 -2.18 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1u41 s TYR 267 CO 0.01 -0.34 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.81 1u41 s LEU 268 N 1.41 2.73 -0.18 -1.29 0.20 0.15 -1.35 118.68 120.34 1u41 s LEU 268 Ca 0.05 -0.32 -0.05 0.00 0.69 0.00 0.00 54.13 54.51 1u41 s LEU 268 Cb -0.15 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1u41 s LEU 268 CO 0.02 0.17 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.48 1u41 s LEU 269 N 0.31 3.25 0.22 -0.68 1.43 0.19 -0.62 118.68 122.78 1u41 s LEU 269 Ca -0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1u41 s LEU 269 Cb -0.16 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1u41 s LEU 269 CO 0.06 0.10 0.10 0.00 0.23 0.00 0.00 176.35 176.83 1u41 s ASP 271 N -3.23 2.99 0.15 0.00 1.01 -0.85 -4.50 116.67 112.25 1u41 s ASP 271 Ca 0.36 0.38 -0.33 0.00 0.71 0.00 0.00 52.55 53.68 1u41 s ASP 271 Cb 0.07 -0.51 -0.13 0.00 1.01 0.00 0.00 42.92 43.37 1u41 s ASP 271 CO 0.11 -2.82 1.70 1.17 0.21 0.00 0.00 175.17 175.54 1u41 n LYS 272 N -3.85 2.46 -4.36 8.23 4.81 -1.25 -4.68 118.16 119.53 1u41 n LYS 272 Ca 0.14 0.89 -0.18 0.00 -0.87 0.00 0.00 58.31 58.29 1u41 n LYS 272 Cb 0.60 -2.71 -0.10 0.00 0.02 0.00 0.00 35.03 32.83 1u41 n LYS 272 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1u41 s VAL 273 N 1.60 1.09 -0.19 3.15 -7.23 0.23 -4.91 120.40 114.14 1u41 s VAL 273 Ca 0.79 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1u41 s VAL 273 Cb -0.59 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1u41 s VAL 273 CO 0.37 -0.26 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.76 1u41 s GLN 274 N -3.86 3.49 0.47 4.82 -0.21 -1.26 -4.43 119.66 118.68 1u41 s GLN 274 Ca 0.30 -0.59 0.21 0.00 0.02 0.00 0.00 55.36 55.30 1u41 s GLN 274 Cb 0.06 -2.94 1.21 0.00 1.00 0.00 0.00 33.01 32.34 1u41 s GLN 274 CO 0.10 0.01 1.94 1.57 -2.12 0.00 0.00 175.29 176.79 1u41 h LYS 275 N 7.45 0.23 -0.52 2.91 2.10 -1.94 -0.97 116.57 125.82 1u41 h LYS 275 Ca -0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1u41 h LYS 275 Cb 1.18 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1u41 h LYS 275 CO 0.60 0.15 0.00 -0.40 -2.00 0.00 0.00 179.45 177.80 1u41 n ASP 276 N -4.43 3.64 -2.81 7.07 5.75 -1.26 -4.45 116.55 120.06 1u41 n ASP 276 Ca 0.14 -2.00 -0.12 0.00 -0.01 0.00 0.00 54.79 52.80 1u41 n ASP 276 Cb 0.61 -0.34 0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1u41 n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1u41 n ASP 277 N 1.55 1.39 -3.95 -1.12 2.03 -0.37 -4.91 116.55 111.18 1u41 n ASP 277 Ca 0.21 -2.84 -0.08 0.00 0.52 0.00 0.00 54.79 52.60 1u41 n ASP 277 Cb 0.61 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 40.42 1u41 n ASP 277 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1u41 s ILE 278 N -3.00 0.00 -0.25 5.18 1.10 -1.23 -3.92 121.20 119.08 1u41 s ILE 278 Ca 0.32 -1.27 -0.02 0.00 -0.51 0.00 0.00 60.65 59.17 1u41 s ILE 278 Cb 0.42 -2.12 0.14 0.00 0.15 0.00 0.00 42.46 41.05 1u41 s ILE 278 CO -0.00 -0.01 0.37 -0.63 -2.11 0.00 0.00 174.94 172.56 1u41 s ILE 280 N -3.98 -0.59 -0.36 2.00 1.01 -1.26 -4.86 121.20 113.16 1u41 s ILE 280 Ca 0.19 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 1u41 s ILE 280 Cb -0.02 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1u41 s ILE 280 CO 0.08 -0.15 0.18 -0.60 0.00 0.00 0.00 174.94 174.45 1u41 s ARG 281 N 2.54 2.89 -0.08 2.79 3.52 0.34 -0.54 118.95 130.40 1u41 s ARG 281 Ca 0.12 -1.03 -0.22 0.00 -0.13 0.00 0.00 55.73 54.48 1u41 s ARG 281 Cb -0.15 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1u41 s ARG 281 CO -0.18 -0.64 0.64 -0.06 -0.81 0.00 0.00 175.30 174.26 1u41 s PHE 282 N 1.54 3.55 -0.04 5.12 0.40 0.88 -0.97 117.98 128.47 1u41 s PHE 282 Ca 0.02 1.15 -0.17 0.00 -0.60 0.00 0.00 56.93 57.33 1u41 s PHE 282 Cb -0.19 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.63 1u41 s PHE 282 CO 0.06 0.10 0.37 1.52 0.70 0.00 0.00 175.22 177.97 1u41 s TYR 283 N 0.79 -0.28 -0.06 0.36 1.13 0.65 -0.51 117.35 119.43 1u41 s TYR 283 Ca 0.34 0.49 -0.00 0.00 -1.41 0.00 0.00 57.07 56.49 1u41 s TYR 283 Cb -0.17 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1u41 s TYR 283 CO 0.16 -0.40 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.78 1u41 s GLU 284 N -1.11 0.80 -0.16 -3.49 2.12 -0.27 -0.89 118.70 115.70 1u41 s GLU 284 Ca -0.11 -0.02 -0.26 0.00 0.36 0.00 0.00 54.97 54.94 1u41 s GLU 284 Cb -0.04 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.35 1u41 s GLU 284 CO 0.05 -0.21 0.84 -1.21 -0.54 0.00 0.00 175.26 174.19 1u41 s GLU 285 N 1.50 4.31 -0.56 4.30 2.02 -1.26 -1.34 118.70 127.66 1u41 s GLU 285 Ca -0.02 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1u41 s GLU 285 Cb -0.13 -3.57 0.14 0.00 0.10 0.00 0.00 34.13 30.67 1u41 s GLU 285 CO -0.03 -0.33 0.34 -1.21 0.02 0.00 0.00 175.26 174.05 1u41 s GLU 286 N 2.14 2.26 -0.15 1.61 8.01 0.70 -4.98 118.70 128.28 1u41 s GLU 286 Ca 0.39 -2.52 -0.10 0.00 0.01 0.00 0.00 54.97 52.75 1u41 s GLU 286 Cb -0.17 -3.54 0.01 0.00 -4.31 0.00 0.00 34.13 26.13 1u41 s GLU 286 CO 0.13 -1.13 0.18 0.39 0.01 0.00 0.00 175.26 174.83 1u41 n GLU 287 N 3.40 -1.04 -0.82 1.61 -0.58 -1.26 -1.91 120.64 120.03 1u41 n GLU 287 Ca 0.06 1.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.97 1u41 n GLU 287 Cb 0.36 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1u41 n GLU 287 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1u41 n ASN 288 N 0.83 -2.36 0.00 1.62 0.23 -1.26 -4.64 115.26 109.68 1u41 n ASN 288 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1u41 n ASN 288 Cb 0.49 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1u41 n ASN 288 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u41 n GLY 289 N -2.79 2.21 3.54 4.83 0.00 -0.96 -5.14 105.19 106.88 1u41 n GLY 289 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1u41 n GLY 289 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u41 s GLY 290 N 0.00 1.54 -0.16 -0.02 0.00 -0.80 -4.74 107.32 103.13 1u41 s GLY 290 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 1u41 s GLY 290 CO 0.00 0.16 0.30 0.14 0.00 0.00 0.00 173.10 173.70 1u41 s VAL 291 N -2.77 -0.47 0.11 1.40 1.01 -1.26 -0.22 120.40 118.21 1u41 s VAL 291 Ca 0.69 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 1u41 s VAL 291 Cb -0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1u41 s VAL 291 CO 0.58 0.05 0.80 0.86 0.00 0.00 0.00 175.10 177.38 1u41 s TRP 292 N 2.46 3.83 0.04 5.22 -0.00 -0.45 -4.95 118.94 125.09 1u41 s TRP 292 Ca 0.03 1.60 0.04 0.00 -0.00 0.00 0.00 56.10 57.76 1u41 s TRP 292 Cb -0.13 -2.83 -0.02 0.00 -0.00 0.00 0.00 33.47 30.50 1u41 s TRP 292 CO -0.10 0.39 -0.12 -1.83 -0.00 0.00 0.00 176.95 175.29 1u41 s GLU 293 N -0.60 0.76 0.04 5.86 -1.05 -1.26 -1.11 118.70 121.35 1u41 s GLU 293 Ca 0.38 -0.72 -0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1u41 s GLU 293 Cb -0.22 -0.71 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 1u41 s GLU 293 CO 0.26 0.17 -0.04 0.20 0.95 0.00 0.00 175.26 176.80 1u41 s GLY 294 N -1.20 0.39 -0.05 -3.83 0.00 0.34 -4.99 107.32 97.97 1u41 s GLY 294 Ca -0.02 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.86 1u41 s GLY 294 CO 0.01 -0.97 -0.14 -1.36 0.00 0.00 0.00 173.10 170.64 1u41 s PHE 295 N -2.48 2.70 0.36 1.90 0.40 -1.26 -0.09 117.98 119.51 1u41 s PHE 295 Ca -0.05 -0.16 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 1u41 s PHE 295 Cb -0.03 -1.63 -0.12 0.00 0.51 0.00 0.00 43.02 41.76 1u41 s PHE 295 CO -0.04 0.18 1.13 0.41 0.70 0.00 0.00 175.22 177.60 1u41 n GLY 296 N 2.32 0.11 3.58 4.36 0.00 0.30 -4.08 105.19 111.77 1u41 n GLY 296 Ca -0.17 0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1u41 n GLY 296 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u41 s ASP 297 N -0.52 6.09 0.11 1.61 2.15 -0.02 -4.71 116.67 121.37 1u41 s ASP 297 Ca 0.59 -0.03 -0.26 0.00 0.43 0.00 0.00 52.55 53.28 1u41 s ASP 297 Cb -0.60 -2.15 0.08 0.00 -0.30 0.00 0.00 42.92 39.95 1u41 s ASP 297 CO 0.60 -0.13 0.96 0.72 -0.17 0.00 0.00 175.17 177.15 1u41 s PHE 298 N 1.84 -0.18 0.31 -5.34 -0.71 -1.26 -1.39 117.98 111.25 1u41 s PHE 298 Ca 0.09 -0.08 0.09 0.00 -1.04 0.00 0.00 56.93 55.99 1u41 s PHE 298 Cb -0.16 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1u41 s PHE 298 CO 0.11 -0.73 0.04 -1.54 -1.34 0.00 0.00 175.22 171.75 1u41 s SER 299 N -2.83 4.44 0.37 1.98 1.04 -1.26 -5.02 113.70 112.42 1u41 s SER 299 Ca 0.11 -0.81 0.14 0.00 0.48 0.00 0.00 55.95 55.87 1u41 s SER 299 Cb -0.01 -0.69 0.99 0.00 0.10 0.00 0.00 66.02 66.41 1u41 s SER 299 CO -0.01 -0.17 1.78 -0.65 0.98 0.00 0.00 173.24 175.18 1u41 h PRO 300 N 1.77 0.49 0.00 4.02 0.11 -1.98 0.41 132.00 136.81 1u41 h PRO 300 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1u41 h PRO 300 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u41 h PRO 300 CO 0.63 0.32 -0.03 1.79 -0.21 0.00 0.00 178.00 180.50 1u41 h THR 301 N 0.50 0.18 0.00 -1.15 1.35 -1.96 -1.56 112.91 110.27 1u41 h THR 301 Ca 0.58 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1u41 h THR 301 Cb 1.28 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1u41 h THR 301 CO -0.32 0.03 0.00 0.47 -0.25 0.00 0.00 175.52 175.45 1u41 n ASP 302 N -3.28 0.12 -4.57 5.36 8.00 0.13 -4.59 116.55 117.74 1u41 n ASP 302 Ca -0.02 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 1u41 n ASP 302 Cb 0.17 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1u41 n ASP 302 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u41 s VAL 303 N -3.03 4.20 -0.66 2.53 1.01 -0.59 -2.27 120.40 121.58 1u41 s VAL 303 Ca 0.11 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 1u41 s VAL 303 Cb 0.15 -4.62 0.04 0.00 0.00 0.00 0.00 36.38 31.94 1u41 s VAL 303 CO 0.44 -1.17 1.18 -2.28 0.00 0.00 0.00 175.10 173.27 1u41 s HIS 304 N 4.47 2.48 -1.47 5.22 2.46 0.19 -4.37 115.29 124.27 1u41 s HIS 304 Ca 0.40 0.04 -0.06 0.00 0.47 0.00 0.00 55.06 55.91 1u41 s HIS 304 Cb -0.09 -4.50 0.03 0.00 -0.13 0.00 0.00 32.58 27.89 1u41 s HIS 304 CO 0.25 -1.80 0.58 0.54 -2.47 0.00 0.00 174.74 171.84 1u41 n ARG 305 N 8.70 -4.50 -0.87 2.88 5.12 -1.26 -1.33 116.66 125.39 1u41 n ARG 305 Ca 0.04 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1u41 n ARG 305 Cb 0.48 -5.60 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1u41 n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1u41 n GLN 306 N -3.96 -0.58 -0.06 5.56 6.02 -1.26 -4.79 117.38 118.32 1u41 n GLN 306 Ca -0.08 0.14 0.01 0.00 -0.01 0.00 0.00 57.00 57.06 1u41 n GLN 306 Cb 0.60 -3.85 0.01 0.00 1.02 0.00 0.00 30.24 28.01 1u41 n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1u41 n PHE 307 N -2.24 0.00 -3.53 1.08 3.72 -0.44 -0.60 117.46 115.45 1u41 n PHE 307 Ca 0.00 -0.20 -0.16 0.00 -0.05 0.00 0.00 57.45 57.04 1u41 n PHE 307 Cb 0.14 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 1u41 n PHE 307 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1u41 s GLY 308 N -0.55 -0.51 -0.03 1.37 0.00 -1.06 -1.94 107.32 104.60 1u41 s GLY 308 Ca 0.02 1.41 -0.00 0.00 0.00 0.00 0.00 44.72 46.15 1u41 s GLY 308 CO 0.00 0.90 0.03 -0.42 0.00 0.00 0.00 173.10 173.61 1u41 s ILE 309 N -1.40 -0.00 -0.24 0.90 1.01 0.21 -0.63 121.20 121.04 1u41 s ILE 309 Ca -0.08 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 1u41 s ILE 309 Cb -0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 1u41 s ILE 309 CO 0.06 0.12 0.08 -0.69 0.00 0.00 0.00 174.94 174.51 1u41 s VAL 310 N 1.21 4.48 0.21 2.92 1.01 -0.96 -0.67 120.40 128.59 1u41 s VAL 310 Ca -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1u41 s VAL 310 Cb -0.13 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1u41 s VAL 310 CO -0.03 0.34 0.25 0.72 0.00 0.00 0.00 175.10 176.39 1u41 s PHE 311 N 1.48 0.85 0.01 5.22 -0.71 -0.71 -4.78 117.98 119.34 1u41 s PHE 311 Ca 0.06 -1.13 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1u41 s PHE 311 Cb -0.15 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1u41 s PHE 311 CO 0.04 -0.76 0.01 0.15 -1.34 0.00 0.00 175.22 173.33 1u41 s LYS 312 N -4.10 2.79 0.54 1.99 1.02 -0.49 0.10 119.74 121.59 1u41 s LYS 312 Ca 0.32 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.48 1u41 s LYS 312 Cb 0.04 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1u41 s LYS 312 CO 0.10 0.61 1.17 0.95 -0.92 0.00 0.00 175.35 177.27 1u41 s THR 313 N -1.14 2.95 0.61 2.17 -4.23 0.09 -0.84 115.64 115.26 1u41 s THR 313 Ca 0.21 0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 61.22 1u41 s THR 313 Cb -0.12 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1u41 s THR 313 CO 0.12 -0.10 1.03 -2.16 -0.54 0.00 0.00 174.62 172.97 1u41 s PRO 314 N -3.15 3.60 0.34 3.99 0.04 -1.26 -0.60 135.00 137.95 1u41 s PRO 314 Ca 0.72 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 1u41 s PRO 314 Cb -0.28 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1u41 s PRO 314 CO 0.31 -0.57 1.28 0.21 0.04 0.00 0.00 177.00 178.27 1u41 s LYS 315 N -5.04 4.34 0.82 4.56 2.20 -1.26 -4.08 119.74 121.29 1u41 s LYS 315 Ca 0.56 2.16 -0.11 0.00 -0.36 0.00 0.00 55.97 58.21 1u41 s LYS 315 Cb -0.11 -3.04 0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1u41 s LYS 315 CO 0.51 -0.18 1.09 -0.47 -0.36 0.00 0.00 175.35 175.95 1u41 s TYR 316 N -1.16 2.64 -0.25 4.03 5.04 0.13 -4.91 117.35 122.87 1u41 s TYR 316 Ca 0.49 1.24 0.25 0.00 -2.44 0.00 0.00 57.07 56.60 1u41 s TYR 316 Cb -0.39 -3.12 1.18 0.00 0.35 0.00 0.00 41.96 39.99 1u41 s TYR 316 CO 0.51 -1.96 1.75 1.57 -1.34 0.00 0.00 175.55 176.07 1u41 h LYS 317 N -1.23 0.00 -1.64 4.97 2.10 -1.96 -3.38 116.57 115.43 1u41 h LYS 317 Ca -0.47 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.97 1u41 h LYS 317 Cb 1.27 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.32 1u41 h LYS 317 CO 0.57 0.00 -0.55 0.34 -2.00 0.00 0.00 179.45 177.81 1u41 s ASP 318 N -4.30 0.24 0.00 7.07 -1.08 -1.26 -5.01 116.67 112.33 1u41 s ASP 318 Ca 0.01 -0.68 0.24 0.00 -0.52 0.00 0.00 52.55 51.59 1u41 s ASP 318 Cb 0.08 1.13 1.43 0.00 -1.46 0.00 0.00 42.92 44.10 1u41 s ASP 318 CO 0.32 -0.31 1.81 1.33 0.52 0.00 0.00 175.17 178.84 1u41 n VAL 319 N 4.99 0.00 0.35 1.11 0.24 -1.26 -2.98 118.33 120.78 1u41 n VAL 319 Ca 0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 1u41 n VAL 319 Cb 0.50 -0.57 0.18 0.00 -1.47 0.00 0.00 33.84 32.48 1u41 n VAL 319 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u41 n ASN 320 N -0.97 3.27 -4.61 -1.34 3.02 -1.26 -4.57 115.26 108.81 1u41 n ASN 320 Ca 0.18 -1.95 -0.38 0.00 -0.03 0.00 0.00 54.58 52.40 1u41 n ASN 320 Cb 0.08 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1u41 n ASN 320 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1u41 n ILE 321 N 1.35 3.65 0.54 2.41 -5.35 -1.16 -4.92 119.36 115.88 1u41 n ILE 321 Ca 0.17 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 62.21 1u41 n ILE 321 Cb 0.57 -1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 37.29 1u41 n ILE 321 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u41 n THR 322 N -1.75 0.00 -4.17 7.28 -2.24 -1.26 -4.60 114.28 107.54 1u41 n THR 322 Ca 0.14 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1u41 n THR 322 Cb 0.47 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 1u41 n THR 322 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u41 s LYS 323 N -2.04 0.81 0.62 -0.78 -0.14 -1.26 -4.84 119.74 112.11 1u41 s LYS 323 Ca 0.05 -0.99 -0.19 0.00 -1.36 0.00 0.00 55.97 53.48 1u41 s LYS 323 Cb 0.09 -0.74 -0.02 0.00 -1.68 0.00 0.00 37.83 35.48 1u41 s LYS 323 CO 0.46 0.15 1.24 -2.30 -0.76 0.00 0.00 175.35 174.14 1u41 n PRO 324 N 1.13 1.17 -4.84 -1.68 -0.02 -1.26 -4.68 135.00 124.82 1u41 n PRO 324 Ca -0.20 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 1u41 n PRO 324 Cb 0.55 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 1u41 n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u41 s ALA 325 N -1.39 1.89 -0.26 3.55 0.00 0.11 -4.98 121.76 120.67 1u41 s ALA 325 Ca 0.80 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1u41 s ALA 325 Cb -0.39 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1u41 s ALA 325 CO 0.43 0.13 0.33 -1.12 0.00 0.00 0.00 175.76 175.53 1u41 s SER 326 N 0.62 6.22 0.21 0.00 0.01 -1.26 -0.67 113.70 118.82 1u41 s SER 326 Ca -0.14 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1u41 s SER 326 Cb -0.17 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 1u41 s SER 326 CO 0.04 -0.13 0.04 1.33 0.41 0.00 0.00 173.24 174.93 1u41 n VAL 327 N 4.97 0.00 -4.34 3.43 0.24 0.04 -4.99 118.33 117.68 1u41 n VAL 327 Ca -0.10 -1.13 -0.23 0.00 -2.04 0.00 0.00 64.34 60.84 1u41 n VAL 327 Cb 0.51 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 33.09 1u41 n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u41 s PHE 328 N -2.09 1.93 -0.02 6.34 0.08 -0.07 -1.41 117.98 122.74 1u41 s PHE 328 Ca 0.05 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.70 1u41 s PHE 328 Cb 0.00 -0.98 -0.00 0.00 -0.57 0.00 0.00 43.02 41.47 1u41 s PHE 328 CO 0.04 0.35 -0.11 0.08 -0.10 0.00 0.00 175.22 175.47 1u41 s VAL 329 N -1.79 0.91 -0.01 -0.44 1.01 0.63 -0.25 120.40 120.45 1u41 s VAL 329 Ca 0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1u41 s VAL 329 Cb -0.07 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1u41 s VAL 329 CO 0.07 0.27 0.22 0.00 0.00 0.00 0.00 175.10 175.66 1u41 s GLN 330 N 0.01 0.55 0.54 2.72 -2.07 -0.14 0.32 119.66 121.58 1u41 s GLN 330 Ca -0.00 -0.26 -0.20 0.00 -1.82 0.00 0.00 55.36 53.08 1u41 s GLN 330 Cb -0.07 0.24 -0.06 0.00 -1.09 0.00 0.00 33.01 32.03 1u41 s GLN 330 CO 0.00 -0.14 1.16 -0.51 -1.32 0.00 0.00 175.29 174.49 1u41 s LEU 331 N -1.25 3.78 -0.11 2.60 1.43 -1.26 -0.50 118.68 123.37 1u41 s LEU 331 Ca -0.13 2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 1u41 s LEU 331 Cb -0.06 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.69 1u41 s LEU 331 CO 0.03 -1.26 0.42 -0.60 0.23 0.00 0.00 176.35 175.16 1u41 s ARG 332 N -3.17 0.59 -0.11 1.70 3.52 -1.26 -1.64 118.95 118.57 1u41 s ARG 332 Ca 0.72 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 56.54 1u41 s ARG 332 Cb -0.27 0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.35 1u41 s ARG 332 CO 0.30 -0.11 0.33 0.50 -0.81 0.00 0.00 175.30 175.51 1u41 s ARG 333 N -0.30 4.11 0.19 5.12 3.52 -0.68 -4.19 118.95 126.72 1u41 s ARG 333 Ca -0.04 0.19 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 1u41 s ARG 333 Cb -0.03 -3.36 0.09 0.00 -1.56 0.00 0.00 34.95 30.09 1u41 s ARG 333 CO 0.02 0.38 1.65 0.87 -0.81 0.00 0.00 175.30 177.42 1u41 h LYS 334 N 6.08 1.06 -0.55 5.12 1.57 -1.89 0.53 116.57 128.49 1u41 h LYS 334 Ca -0.45 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 57.97 1u41 h LYS 334 Cb 1.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1u41 h LYS 334 CO 0.71 1.03 0.21 0.66 -0.57 0.00 0.00 179.45 181.49 1u41 h SER 335 N 0.97 0.77 0.00 0.86 4.64 -1.94 -3.34 113.55 115.52 1u41 h SER 335 Ca 0.17 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u41 h SER 335 Cb 0.55 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1u41 h SER 335 CO 0.03 0.74 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1u41 n ASP 336 N -4.49 0.91 -0.16 4.97 5.68 -1.25 -5.03 116.55 117.17 1u41 n ASP 336 Ca 0.03 -1.44 -0.02 0.00 -0.50 0.00 0.00 54.79 52.86 1u41 n ASP 336 Cb 0.17 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 1u41 n ASP 336 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1u41 n LEU 337 N -0.22 0.51 -4.70 -2.12 4.77 0.18 -4.97 117.00 110.45 1u41 n LEU 337 Ca 0.00 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.64 1u41 n LEU 337 Cb 0.37 -1.97 0.05 0.00 -2.33 0.00 0.00 43.42 39.54 1u41 n LEU 337 CO 0.00 -0.73 0.82 -0.62 -1.33 0.00 0.00 177.39 175.53 1u41 n GLU 338 N 0.41 1.26 -4.31 3.23 -0.58 -1.26 -4.68 120.64 114.72 1u41 n GLU 338 Ca -0.02 0.48 -0.16 0.00 -0.42 0.00 0.00 57.16 57.04 1u41 n GLU 338 Cb 0.38 -2.43 -0.10 0.00 -0.57 0.00 0.00 31.44 28.72 1u41 n GLU 338 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1u41 s THR 339 N -1.38 1.06 0.60 2.62 -4.23 -1.26 -1.69 115.64 111.35 1u41 s THR 339 Ca 0.76 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1u41 s THR 339 Cb -0.41 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1u41 s THR 339 CO 0.46 -0.43 0.94 -0.94 -0.54 0.00 0.00 174.62 174.11 1u41 s SER 340 N -3.27 5.84 0.31 3.99 1.04 -0.65 -4.70 113.70 116.26 1u41 s SER 340 Ca 0.25 0.99 -0.29 0.00 0.48 0.00 0.00 55.95 57.38 1u41 s SER 340 Cb 0.05 -2.03 -0.12 0.00 0.10 0.00 0.00 66.02 64.02 1u41 s SER 340 CO 0.07 -0.98 1.45 -0.62 0.98 0.00 0.00 173.24 174.14 1u41 n GLU 341 N -2.64 2.39 -2.32 4.02 -0.58 -1.26 -4.64 120.64 115.61 1u41 n GLU 341 Ca 0.04 0.85 -0.34 0.00 -0.42 0.00 0.00 57.16 57.29 1u41 n GLU 341 Cb 0.56 -2.53 -0.01 0.00 -0.57 0.00 0.00 31.44 28.88 1u41 n GLU 341 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1u41 s PRO 342 N -1.19 3.56 0.11 3.49 0.04 -1.26 -4.66 135.00 135.08 1u41 s PRO 342 Ca 0.60 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1u41 s PRO 342 Cb -0.55 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1u41 s PRO 342 CO 0.56 -0.63 0.05 0.15 0.04 0.00 0.00 177.00 177.18 1u41 s LYS 343 N -3.55 2.72 0.41 4.56 -0.14 0.15 -4.89 119.74 119.00 1u41 s LYS 343 Ca 0.67 -0.81 -0.24 0.00 -1.36 0.00 0.00 55.97 54.22 1u41 s LYS 343 Cb -0.17 -2.61 -0.08 0.00 -1.68 0.00 0.00 37.83 33.28 1u41 s LYS 343 CO 0.27 0.53 1.12 -2.14 -0.76 0.00 0.00 175.35 174.37 1u41 s PRO 344 N -2.54 4.03 -0.06 -1.68 0.02 -1.26 -0.27 135.00 133.23 1u41 s PRO 344 Ca 0.28 1.69 -0.03 0.00 0.02 0.00 0.00 61.00 62.96 1u41 s PRO 344 Cb -0.11 -2.56 0.03 0.00 0.02 0.00 0.00 34.50 31.88 1u41 s PRO 344 CO 0.21 -0.30 0.15 0.12 -0.33 0.00 0.00 177.00 176.84 1u41 s PHE 345 N -1.54 -0.16 -0.35 6.54 5.36 -0.50 -4.81 117.98 122.52 1u41 s PHE 345 Ca 0.59 0.46 -0.10 0.00 -0.96 0.00 0.00 56.93 56.92 1u41 s PHE 345 Cb -0.27 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.38 1u41 s PHE 345 CO 0.33 -0.14 0.17 -1.17 -1.46 0.00 0.00 175.22 172.95 1u41 s LEU 346 N 0.89 4.42 -0.13 6.12 2.96 -0.02 -0.78 118.68 132.15 1u41 s LEU 346 Ca -0.07 -0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 52.77 1u41 s LEU 346 Cb -0.09 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1u41 s LEU 346 CO -0.04 -0.31 0.69 -0.31 -1.32 0.00 0.00 176.35 175.06 1u41 s TYR 347 N 1.55 3.48 0.08 5.38 2.02 0.15 -1.31 117.35 128.70 1u41 s TYR 347 Ca 0.02 1.13 0.06 0.00 -0.37 0.00 0.00 57.07 57.92 1u41 s TYR 347 Cb -0.18 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1u41 s TYR 347 CO 0.06 -0.06 -0.11 1.52 -1.57 0.00 0.00 175.55 175.39 1u41 s TYR 348 N 1.41 2.74 0.78 2.71 -0.85 -0.66 0.06 117.35 123.54 1u41 s TYR 348 Ca 0.34 -0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.59 1u41 s TYR 348 Cb -0.17 -1.47 -0.01 0.00 0.38 0.00 0.00 41.96 40.69 1u41 s TYR 348 CO 0.14 0.39 0.55 -2.30 -1.52 0.00 0.00 175.55 172.81 1u41 n PRO 349 N 0.97 0.17 0.00 -3.49 -0.02 -1.26 -2.06 135.00 129.31 1u41 n PRO 349 Ca -0.14 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1u41 n PRO 349 Cb 0.52 -1.88 0.28 0.00 -0.02 0.00 0.00 33.50 32.41 1u41 n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57