#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u41 s SER 246 N 0.00 6.71 0.44 0.00 0.15 -1.26 -4.99 113.70 114.75 1u41 s SER 246 Ca 0.00 0.85 0.23 0.00 0.70 0.00 0.00 55.95 57.73 1u41 s SER 246 Cb 0.00 -2.25 0.99 0.00 -1.71 0.00 0.00 66.02 63.06 1u41 s SER 246 CO 0.00 0.21 1.87 0.78 1.20 0.00 0.00 173.24 177.30 1u41 h ASN 247 N 5.52 0.00 -1.99 5.45 2.35 -2.00 -3.45 115.58 121.46 1u41 h ASN 247 Ca -0.47 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 54.64 1u41 h ASN 247 Cb 1.20 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.63 1u41 h ASN 247 CO 0.67 0.24 0.56 0.18 -1.65 0.00 0.00 177.43 177.43 1u41 n LEU 248 N -3.53 2.24 -3.66 1.61 4.77 -1.26 -4.82 117.00 112.35 1u41 n LEU 248 Ca -0.01 1.11 -0.07 0.00 -0.03 0.00 0.00 56.01 57.01 1u41 n LEU 248 Cb 0.40 -1.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 1u41 n LEU 248 CO 0.34 -0.78 0.24 -0.75 -1.33 0.00 0.00 177.39 175.10 1u41 s LYS 249 N 0.45 0.58 -0.46 3.23 2.20 -1.26 -4.23 119.74 120.25 1u41 s LYS 249 Ca 0.80 1.11 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 1u41 s LYS 249 Cb -0.82 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 35.70 1u41 s LYS 249 CO 0.45 -0.16 1.13 0.42 -0.36 0.00 0.00 175.35 176.82 1u41 s ILE 250 N 1.75 4.24 -0.06 5.43 1.01 -1.26 -2.30 121.20 130.00 1u41 s ILE 250 Ca -0.09 1.29 -0.25 0.00 0.00 0.00 0.00 60.65 61.60 1u41 s ILE 250 Cb -0.07 -4.58 -0.25 0.00 0.01 0.00 0.00 42.46 37.57 1u41 s ILE 250 CO -0.17 -0.94 0.98 0.58 0.00 0.00 0.00 174.94 175.38 1u41 h VAL 251 N 6.17 1.58 -2.34 2.92 2.07 -1.10 -3.49 116.25 122.06 1u41 h VAL 251 Ca -0.23 -2.06 0.04 0.00 0.82 0.00 0.00 66.70 65.27 1u41 h VAL 251 Cb 1.06 2.90 -0.16 0.00 -1.52 0.00 0.00 31.29 33.57 1u41 h VAL 251 CO 1.12 0.56 0.36 0.00 0.02 0.00 0.00 177.57 179.63 1u41 s ARG 252 N -2.93 0.96 -0.02 1.57 1.70 -1.06 -5.01 118.95 114.17 1u41 s ARG 252 Ca -0.16 -0.19 0.04 0.00 -0.47 0.00 0.00 55.73 54.95 1u41 s ARG 252 Cb 0.00 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1u41 s ARG 252 CO 0.74 -0.39 -0.12 -1.64 -1.08 0.00 0.00 175.30 172.81 1u41 s MET 253 N -2.67 1.12 0.60 3.89 -1.94 -1.26 -0.27 119.30 118.78 1u41 s MET 253 Ca -0.00 -0.43 0.37 0.00 -1.71 0.00 0.00 55.69 53.92 1u41 s MET 253 Cb -0.01 -1.05 1.94 0.00 2.01 0.00 0.00 34.83 37.72 1u41 s MET 253 CO -0.05 0.22 2.21 0.38 -0.01 0.00 0.00 175.02 177.77 1u41 h ASP 254 N 6.06 0.00 -3.74 3.03 2.03 -1.76 -3.40 116.42 118.63 1u41 h ASP 254 Ca -0.33 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.54 1u41 h ASP 254 Cb 1.17 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.36 1u41 h ASP 254 CO 0.49 0.03 -0.79 -0.13 -1.03 0.00 0.00 179.24 177.81 1u41 s ARG 255 N -4.10 0.99 -0.06 4.15 3.00 -1.26 -5.01 118.95 116.65 1u41 s ARG 255 Ca -0.03 -0.29 0.10 0.00 0.00 0.00 0.00 55.73 55.51 1u41 s ARG 255 Cb 0.12 -0.92 0.19 0.00 0.00 0.00 0.00 34.95 34.35 1u41 s ARG 255 CO 0.49 0.08 1.13 0.25 0.00 0.00 0.00 175.30 177.25 1u41 n THR 256 N 3.41 1.44 -3.79 0.02 -2.24 -1.26 -4.99 114.28 106.88 1u41 n THR 256 Ca -0.19 -1.53 -0.11 0.00 -2.27 0.00 0.00 64.05 59.94 1u41 n THR 256 Cb 0.54 0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.84 -0.59 0.11 6.98 0.00 -1.26 -1.81 121.76 123.35 1u41 s ALA 257 Ca 0.18 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 1u41 s ALA 257 Cb 0.15 0.26 0.08 0.00 0.00 0.00 0.00 23.12 23.60 1u41 s ALA 257 CO 0.04 -0.36 0.86 0.20 0.00 0.00 0.00 175.76 176.50 1u41 s GLY 258 N -1.92 -0.36 0.36 0.00 0.00 0.20 -4.93 107.32 100.67 1u41 s GLY 258 Ca -0.07 0.47 -0.27 0.00 0.00 0.00 0.00 44.72 44.85 1u41 s GLY 258 CO -0.02 0.14 1.18 0.00 0.00 0.00 0.00 173.10 174.40 1u41 h VAL 260 N 2.66 0.38 0.00 0.00 3.04 -1.74 -1.93 116.25 118.66 1u41 h VAL 260 Ca -0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 1u41 h VAL 260 Cb 1.23 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1u41 h VAL 260 CO 0.64 0.00 -0.04 0.71 -1.01 0.00 0.00 177.57 177.88 1u41 h THR 261 N 0.00 0.09 -0.24 3.17 1.35 -1.91 -1.63 112.91 113.75 1u41 h THR 261 Ca 0.24 -0.63 0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1u41 h THR 261 Cb 1.25 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1u41 h THR 261 CO -0.00 0.04 -0.01 0.61 -0.25 0.00 0.00 175.52 175.90 1u41 n GLY 262 N 0.11 -2.01 2.14 5.82 0.00 -0.73 -4.31 105.19 106.20 1u41 n GLY 262 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.19 0.57 3.80 -0.02 0.00 0.10 -4.90 105.19 104.55 1u41 n GLY 263 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.55 4.06 0.26 1.61 2.02 -1.26 -4.70 118.70 119.13 1u41 s GLU 264 Ca 0.00 0.41 -0.26 0.00 0.02 0.00 0.00 54.97 55.13 1u41 s GLU 264 Cb 0.00 -3.29 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1u41 s GLU 264 CO 0.00 0.52 0.88 -2.00 0.02 0.00 0.00 175.26 174.69 1u41 s GLU 265 N -0.54 4.62 -0.05 1.61 2.12 -1.26 -0.50 118.70 124.71 1u41 s GLU 265 Ca 0.24 1.29 -0.04 0.00 0.36 0.00 0.00 54.97 56.81 1u41 s GLU 265 Cb -0.16 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1u41 s GLU 265 CO 0.12 0.42 0.13 0.42 -0.54 0.00 0.00 175.26 175.81 1u41 s ILE 266 N -1.38 -0.01 -0.25 -3.70 1.01 0.11 -4.94 121.20 112.04 1u41 s ILE 266 Ca 0.44 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1u41 s ILE 266 Cb -0.21 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1u41 s ILE 266 CO 0.26 0.01 0.38 -0.31 0.00 0.00 0.00 174.94 175.28 1u41 s TYR 267 N 0.19 3.29 -0.19 3.97 1.51 -1.26 -0.95 117.35 123.91 1u41 s TYR 267 Ca -0.01 0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 56.52 1u41 s TYR 267 Cb -0.02 -2.55 0.01 0.00 -0.11 0.00 0.00 41.96 39.28 1u41 s TYR 267 CO -0.01 -0.16 -0.14 -1.17 -1.11 0.00 0.00 175.55 172.97 1u41 s LEU 268 N 1.82 2.45 -0.17 -1.29 0.20 -0.03 -1.84 118.68 119.81 1u41 s LEU 268 Ca 0.16 -0.53 -0.12 0.00 0.69 0.00 0.00 54.13 54.33 1u41 s LEU 268 Cb -0.15 -1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 43.98 1u41 s LEU 268 CO 0.09 0.01 0.22 -0.76 -0.29 0.00 0.00 176.35 175.62 1u41 s LEU 269 N 1.25 4.24 0.14 -0.68 1.43 0.63 -0.65 118.68 125.03 1u41 s LEU 269 Ca 0.03 0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1u41 s LEU 269 Cb -0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1u41 s LEU 269 CO -0.07 0.15 0.03 0.00 0.23 0.00 0.00 176.35 176.69 1u41 s ASP 271 N -3.07 1.03 0.09 0.00 -0.00 -0.97 -4.46 116.67 109.28 1u41 s ASP 271 Ca 0.22 1.18 -0.32 0.00 -0.00 0.00 0.00 52.55 53.63 1u41 s ASP 271 Cb 0.07 -1.81 -0.11 0.00 -0.00 0.00 0.00 42.92 41.07 1u41 s ASP 271 CO 0.01 -4.12 1.80 1.17 -0.00 0.00 0.00 175.17 174.03 1u41 n LYS 272 N -4.83 2.56 -4.18 8.23 4.81 -1.25 -4.65 118.16 118.85 1u41 n LYS 272 Ca 0.06 0.93 -0.12 0.00 -0.87 0.00 0.00 58.31 58.31 1u41 n LYS 272 Cb 0.57 -2.80 -0.10 0.00 0.02 0.00 0.00 35.03 32.72 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 2.69 0.83 -0.18 3.15 -7.23 0.43 -4.89 120.40 115.19 1u41 s VAL 273 Ca 0.84 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1u41 s VAL 273 Cb -0.56 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1u41 s VAL 273 CO 0.40 -0.76 0.04 -1.58 -0.31 0.00 0.00 175.10 172.89 1u41 s GLN 274 N -3.48 3.88 0.55 4.82 0.74 -1.26 -4.38 119.66 120.53 1u41 s GLN 274 Ca 0.10 -0.40 0.26 0.00 0.05 0.00 0.00 55.36 55.38 1u41 s GLN 274 Cb 0.02 -3.15 1.46 0.00 1.10 0.00 0.00 33.01 32.45 1u41 s GLN 274 CO -0.02 0.24 2.00 1.57 -0.55 0.00 0.00 175.29 178.53 1u41 h LYS 275 N 6.79 0.00 -0.47 1.67 2.10 -1.93 0.50 116.57 125.22 1u41 h LYS 275 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1u41 h LYS 275 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1u41 h LYS 275 CO 0.68 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.73 1u41 n ASP 276 N -4.16 3.45 -2.48 7.07 5.68 -1.26 -4.54 116.55 120.31 1u41 n ASP 276 Ca 0.08 -2.13 -0.13 0.00 -0.50 0.00 0.00 54.79 52.11 1u41 n ASP 276 Cb 0.55 -0.36 0.03 0.00 -1.14 0.00 0.00 41.12 40.20 1u41 n ASP 276 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1u41 n ASP 277 N 0.78 3.14 -3.77 -1.12 2.03 0.16 -4.95 116.55 112.83 1u41 n ASP 277 Ca 0.17 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.41 1u41 n ASP 277 Cb 0.56 -0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 40.44 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 -4.21 0.06 0.12 5.18 1.10 -1.21 -3.49 121.20 118.74 1u41 s ILE 278 Ca 0.38 -0.47 -0.05 0.00 -0.51 0.00 0.00 60.65 60.00 1u41 s ILE 278 Cb 0.38 -0.60 -0.02 0.00 0.15 0.00 0.00 42.46 42.37 1u41 s ILE 278 CO -0.02 -0.26 0.15 0.00 -2.11 0.00 0.00 174.94 172.70 1u41 s GLN 279 N -1.27 0.93 -0.26 3.50 -2.07 0.57 -4.89 119.66 116.18 1u41 s GLN 279 Ca -0.13 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.20 1u41 s GLN 279 Cb -0.05 0.30 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 1u41 s GLN 279 CO 0.04 -0.29 -0.08 0.42 -1.32 0.00 0.00 175.29 174.06 1u41 s ILE 280 N -3.96 2.53 -0.25 3.63 1.01 -1.26 -1.15 121.20 121.75 1u41 s ILE 280 Ca 0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 1u41 s ILE 280 Cb 0.06 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1u41 s ILE 280 CO -0.04 0.09 -0.04 -0.60 0.00 0.00 0.00 174.94 174.36 1u41 s ARG 281 N 1.22 3.03 -0.03 2.79 3.52 -0.14 -0.55 118.95 128.79 1u41 s ARG 281 Ca -0.04 -0.86 -0.22 0.00 -0.13 0.00 0.00 55.73 54.48 1u41 s ARG 281 Cb -0.18 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1u41 s ARG 281 CO -0.05 -0.35 0.65 -0.06 -0.81 0.00 0.00 175.30 174.68 1u41 s PHE 282 N 1.39 3.64 0.10 5.12 0.40 0.65 -0.70 117.98 128.58 1u41 s PHE 282 Ca 0.02 1.23 -0.10 0.00 -0.60 0.00 0.00 56.93 57.48 1u41 s PHE 282 Cb -0.16 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.67 1u41 s PHE 282 CO -0.03 0.23 0.24 1.52 0.70 0.00 0.00 175.22 177.87 1u41 s TYR 283 N 0.26 0.11 -0.18 0.36 1.13 0.23 -0.82 117.35 118.43 1u41 s TYR 283 Ca 0.34 -0.52 -0.14 0.00 -1.41 0.00 0.00 57.07 55.34 1u41 s TYR 283 Cb -0.18 -0.00 0.05 0.00 -1.10 0.00 0.00 41.96 40.73 1u41 s TYR 283 CO 0.18 -0.59 0.47 -2.00 -2.51 0.00 0.00 175.55 171.09 1u41 s GLU 284 N -3.86 0.50 0.24 -3.49 2.12 -0.28 -1.73 118.70 112.20 1u41 s GLU 284 Ca 0.06 0.75 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 1u41 s GLU 284 Cb 0.04 0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 1u41 s GLU 284 CO -0.10 -0.11 0.95 -1.21 -0.54 0.00 0.00 175.26 174.26 1u41 s GLU 285 N 0.78 4.84 0.00 4.30 2.02 -1.26 -0.79 118.70 128.59 1u41 s GLU 285 Ca -0.04 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1u41 s GLU 285 Cb -0.05 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1u41 s GLU 285 CO -0.06 0.49 0.00 0.39 0.02 0.00 0.00 175.26 176.10 1u41 n GLU 286 N 1.52 0.00 -0.60 1.61 4.71 -1.26 -4.90 120.64 121.71 1u41 n GLU 286 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1u41 n GLU 286 Cb 0.47 -0.15 0.00 0.00 -1.01 0.00 0.00 31.44 30.75 1u41 n GLU 286 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u41 n GLY 290 N 2.92 -3.86 2.75 0.62 0.00 -1.26 -5.14 105.19 101.22 1u41 n GLY 290 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1u41 n GLY 290 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u41 s VAL 291 N -1.42 -0.21 0.16 1.61 1.01 -1.26 -5.06 120.40 115.23 1u41 s VAL 291 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1u41 s VAL 291 Cb 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 1u41 s VAL 291 CO 0.00 0.06 0.83 0.86 0.00 0.00 0.00 175.10 176.85 1u41 s TRP 292 N 2.24 3.89 0.00 5.22 -0.00 0.03 -4.96 118.94 125.38 1u41 s TRP 292 Ca 0.04 1.70 -0.02 0.00 -0.00 0.00 0.00 56.10 57.81 1u41 s TRP 292 Cb -0.13 -2.86 -0.01 0.00 -0.00 0.00 0.00 33.47 30.47 1u41 s TRP 292 CO -0.06 0.43 0.03 -1.83 -0.00 0.00 0.00 176.95 175.52 1u41 s GLU 293 N -0.86 0.28 -0.02 5.86 -1.05 -1.26 -1.13 118.70 120.51 1u41 s GLU 293 Ca 0.39 -0.36 -0.02 0.00 -0.15 0.00 0.00 54.97 54.83 1u41 s GLU 293 Cb -0.23 0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.57 1u41 s GLU 293 CO 0.28 -0.05 0.07 0.20 0.95 0.00 0.00 175.26 176.70 1u41 s GLY 294 N -1.00 -0.04 -0.10 -3.83 0.00 -0.00 -5.01 107.32 97.35 1u41 s GLY 294 Ca -0.11 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1u41 s GLY 294 CO -0.00 0.14 -0.10 -1.36 0.00 0.00 0.00 173.10 171.78 1u41 s PHE 295 N -0.01 2.85 0.34 1.90 0.40 -1.26 -0.26 117.98 121.94 1u41 s PHE 295 Ca -0.00 -0.28 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1u41 s PHE 295 Cb -0.01 -1.77 -0.12 0.00 0.51 0.00 0.00 43.02 41.63 1u41 s PHE 295 CO 0.00 0.07 1.32 0.41 0.70 0.00 0.00 175.22 177.72 1u41 n GLY 296 N 2.85 0.66 3.62 4.36 0.00 0.29 -4.14 105.19 112.83 1u41 n GLY 296 Ca -0.18 0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1u41 n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u41 s ASP 297 N -0.26 6.09 0.14 1.61 -0.00 -0.13 -4.67 116.67 119.44 1u41 s ASP 297 Ca 0.56 0.08 -0.24 0.00 -0.00 0.00 0.00 52.55 52.94 1u41 s ASP 297 Cb -0.56 -2.12 0.07 0.00 -0.00 0.00 0.00 42.92 40.31 1u41 s ASP 297 CO 0.62 -0.01 0.69 0.72 -0.00 0.00 0.00 175.17 177.19 1u41 s PHE 298 N 1.46 -0.45 0.29 4.23 -0.71 -1.26 -1.03 117.98 120.50 1u41 s PHE 298 Ca 0.08 0.23 0.07 0.00 -1.04 0.00 0.00 56.93 56.27 1u41 s PHE 298 Cb -0.15 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1u41 s PHE 298 CO 0.08 -0.82 0.31 -1.12 -1.34 0.00 0.00 175.22 172.33 1u41 s SER 299 N -2.71 5.70 0.42 1.98 0.01 -1.26 -5.01 113.70 112.83 1u41 s SER 299 Ca 0.03 -0.25 0.17 0.00 1.31 0.00 0.00 55.95 57.21 1u41 s SER 299 Cb -0.01 -1.33 1.06 0.00 0.21 0.00 0.00 66.02 65.95 1u41 s SER 299 CO -0.10 -0.22 1.86 -0.65 0.41 0.00 0.00 173.24 174.55 1u41 h PRO 300 N 1.23 0.41 0.00 12.44 0.11 -1.98 0.28 132.00 144.49 1u41 h PRO 300 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u41 h PRO 300 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u41 h PRO 300 CO 0.58 0.27 0.00 1.79 -0.21 0.00 0.00 178.00 180.44 1u41 h THR 301 N 0.43 0.00 0.00 -1.15 1.35 -1.95 -1.91 112.91 109.68 1u41 h THR 301 Ca 0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1u41 h THR 301 Cb 1.10 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1u41 h THR 301 CO -0.17 0.00 -0.18 0.47 -0.25 0.00 0.00 175.52 175.38 1u41 n ASP 302 N -2.41 0.26 -4.56 5.36 8.00 0.98 -4.69 116.55 119.49 1u41 n ASP 302 Ca -0.00 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 1u41 n ASP 302 Cb 0.14 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 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 -3.02 4.56 -0.39 2.53 1.01 -0.72 -2.19 120.40 122.18 1u41 s VAL 303 Ca 0.12 0.65 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 1u41 s VAL 303 Cb 0.18 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1u41 s VAL 303 CO 0.60 -0.75 0.59 -2.28 0.00 0.00 0.00 175.10 173.26 1u41 s HIS 304 N 3.53 3.13 -1.62 5.22 2.46 0.11 -4.44 115.29 123.68 1u41 s HIS 304 Ca 0.34 0.10 -0.20 0.00 0.47 0.00 0.00 55.06 55.77 1u41 s HIS 304 Cb -0.11 -3.14 0.19 0.00 -0.13 0.00 0.00 32.58 29.39 1u41 s HIS 304 CO 0.24 -0.70 0.55 0.54 -2.47 0.00 0.00 174.74 172.90 1u41 n ARG 305 N 6.02 -1.41 -0.31 2.88 5.12 -1.26 -1.09 116.66 126.60 1u41 n ARG 305 Ca -0.03 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1u41 n ARG 305 Cb 0.48 -4.76 0.00 0.00 -1.16 0.00 0.00 32.46 27.02 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 -3.91 0.00 0.00 5.56 6.02 -1.26 -4.77 117.38 119.02 1u41 n GLN 306 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1u41 n GLN 306 Cb 0.46 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.18 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 -2.00 0.00 -3.61 1.08 3.72 -0.25 -0.43 117.46 115.97 1u41 n PHE 307 Ca 0.00 -0.17 -0.14 0.00 -0.05 0.00 0.00 57.45 57.09 1u41 n PHE 307 Cb 0.00 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.33 -0.38 -0.06 1.37 0.00 -0.96 -1.40 107.32 105.55 1u41 s GLY 308 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.29 1u41 s GLY 308 CO 0.00 0.29 -0.00 -0.42 0.00 0.00 0.00 173.10 172.96 1u41 s ILE 309 N -2.25 0.35 -0.28 0.90 1.01 0.18 0.08 121.20 121.19 1u41 s ILE 309 Ca -0.06 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1u41 s ILE 309 Cb -0.01 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1u41 s ILE 309 CO -0.00 0.23 0.39 -0.69 0.00 0.00 0.00 174.94 174.87 1u41 s VAL 310 N 1.64 5.16 0.26 2.92 1.01 -0.93 -0.85 120.40 129.60 1u41 s VAL 310 Ca -0.00 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1u41 s VAL 310 Cb -0.13 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1u41 s VAL 310 CO -0.04 0.12 0.17 0.72 0.00 0.00 0.00 175.10 176.07 1u41 s PHE 311 N 2.11 1.46 -0.12 5.22 -0.71 -0.13 -4.72 117.98 121.09 1u41 s PHE 311 Ca 0.16 -1.42 -0.01 0.00 -1.04 0.00 0.00 56.93 54.61 1u41 s PHE 311 Cb -0.16 -0.72 -0.03 0.00 -1.21 0.00 0.00 43.02 40.91 1u41 s PHE 311 CO 0.10 -0.62 -0.07 0.15 -1.34 0.00 0.00 175.22 173.44 1u41 s LYS 312 N -3.89 3.27 0.58 1.99 -0.14 -0.20 0.09 119.74 121.44 1u41 s LYS 312 Ca 0.38 -0.56 -0.19 0.00 -1.36 0.00 0.00 55.97 54.24 1u41 s LYS 312 Cb 0.05 -2.74 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 1u41 s LYS 312 CO 0.17 0.40 1.20 0.95 -0.76 0.00 0.00 175.35 177.31 1u41 s THR 313 N -0.09 2.71 0.54 2.17 -4.23 0.34 -0.95 115.64 116.13 1u41 s THR 313 Ca 0.01 0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 1u41 s THR 313 Cb -0.13 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.45 1u41 s THR 313 CO 0.03 -0.09 1.00 -2.16 -0.54 0.00 0.00 174.62 172.86 1u41 s PRO 314 N -3.27 3.84 0.27 3.99 0.04 -1.26 0.02 135.00 138.62 1u41 s PRO 314 Ca 0.76 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1u41 s PRO 314 Cb -0.30 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 1u41 s PRO 314 CO 0.33 -0.36 1.60 0.21 0.04 0.00 0.00 177.00 178.82 1u41 s LYS 315 N -4.29 4.14 0.68 4.56 2.20 -1.26 -4.25 119.74 121.51 1u41 s LYS 315 Ca 0.58 2.55 -0.14 0.00 -0.36 0.00 0.00 55.97 58.60 1u41 s LYS 315 Cb -0.10 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1u41 s LYS 315 CO 0.36 -0.63 1.11 -0.47 -0.36 0.00 0.00 175.35 175.35 1u41 s TYR 316 N 0.27 2.60 0.40 4.03 5.04 -0.61 -4.90 117.35 124.18 1u41 s TYR 316 Ca 0.65 1.55 0.17 0.00 -2.44 0.00 0.00 57.07 57.00 1u41 s TYR 316 Cb -0.47 -3.15 1.06 0.00 0.35 0.00 0.00 41.96 39.74 1u41 s TYR 316 CO 0.44 -1.72 1.81 1.57 -1.34 0.00 0.00 175.55 176.30 1u41 h LYS 317 N -0.19 0.43 -3.25 4.97 2.10 -1.95 -3.37 116.57 115.31 1u41 h LYS 317 Ca -0.46 -0.03 -0.51 0.00 -2.00 0.00 0.00 60.65 57.65 1u41 h LYS 317 Cb 1.24 -0.10 -0.40 0.00 -0.90 0.00 0.00 32.23 32.08 1u41 h LYS 317 CO 0.53 0.28 -0.76 0.34 -2.00 0.00 0.00 179.45 177.84 1u41 s ASP 318 N -5.45 3.03 0.15 7.07 2.15 -1.26 -5.01 116.67 117.35 1u41 s ASP 318 Ca -0.09 -0.97 0.14 0.00 0.43 0.00 0.00 52.55 52.06 1u41 s ASP 318 Cb 0.24 -0.48 0.67 0.00 -0.30 0.00 0.00 42.92 43.05 1u41 s ASP 318 CO 0.79 -0.36 1.44 0.55 -0.17 0.00 0.00 175.17 177.42 1u41 n VAL 319 N 5.13 1.27 -0.29 1.11 3.14 -1.26 -3.36 118.33 124.07 1u41 n VAL 319 Ca -0.07 0.46 0.09 0.00 -2.96 0.00 0.00 64.34 61.86 1u41 n VAL 319 Cb 0.46 -1.40 0.24 0.00 -1.06 0.00 0.00 33.84 32.08 1u41 n VAL 319 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1u41 n ASN 320 N -1.88 3.46 -4.61 6.55 3.02 -1.26 -4.55 115.26 116.00 1u41 n ASN 320 Ca 0.01 -2.02 -0.40 0.00 -0.03 0.00 0.00 54.58 52.14 1u41 n ASN 320 Cb 0.09 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.05 2.92 0.05 2.41 -5.35 -1.21 -4.89 119.36 114.33 1u41 n ILE 321 Ca 0.18 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.26 1u41 n ILE 321 Cb 0.53 -1.14 -0.15 0.00 -1.74 0.00 0.00 39.64 37.14 1u41 n ILE 321 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1u41 n THR 322 N -1.07 0.00 -4.14 7.28 -1.04 -1.26 -4.58 114.28 109.47 1u41 n THR 322 Ca 0.11 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.05 61.54 1u41 n THR 322 Cb 0.43 0.11 -0.12 0.00 -1.82 0.00 0.00 70.33 68.93 1u41 n THR 322 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1u41 s LYS 323 N -3.33 0.61 0.19 -2.82 -2.85 -1.26 -4.86 119.74 105.43 1u41 s LYS 323 Ca -0.06 -0.68 -0.31 0.00 -1.00 0.00 0.00 55.97 53.92 1u41 s LYS 323 Cb 0.13 -0.48 -0.16 0.00 -2.06 0.00 0.00 37.83 35.25 1u41 s LYS 323 CO 0.81 0.11 0.89 -2.30 0.10 0.00 0.00 175.35 174.96 1u41 n PRO 324 N 1.77 0.66 -3.88 1.78 -0.02 -1.26 -4.78 135.00 129.28 1u41 n PRO 324 Ca -0.20 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.16 1u41 n PRO 324 Cb 0.55 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.65 2.86 -0.08 3.55 0.00 0.72 -4.97 121.76 123.18 1u41 s ALA 325 Ca 0.69 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1u41 s ALA 325 Cb -0.89 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1u41 s ALA 325 CO 0.56 -0.76 1.13 -1.12 0.00 0.00 0.00 175.76 175.57 1u41 s SER 326 N 1.42 7.12 0.44 0.00 0.01 -1.26 -1.98 113.70 119.45 1u41 s SER 326 Ca 0.02 1.70 0.03 0.00 1.31 0.00 0.00 55.95 59.01 1u41 s SER 326 Cb -0.16 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1u41 s SER 326 CO -0.02 -0.55 0.05 0.68 0.41 0.00 0.00 173.24 173.82 1u41 s VAL 327 N 2.22 1.11 0.14 3.43 -7.23 0.25 -4.97 120.40 115.35 1u41 s VAL 327 Ca 0.53 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1u41 s VAL 327 Cb -0.22 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1u41 s VAL 327 CO 0.20 0.00 0.18 -0.36 -0.31 0.00 0.00 175.10 174.81 1u41 s PHE 328 N -3.01 3.28 -0.02 2.82 0.08 -0.70 -0.92 117.98 119.51 1u41 s PHE 328 Ca 0.19 0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.33 1u41 s PHE 328 Cb 0.04 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1u41 s PHE 328 CO 0.10 0.52 -0.11 0.54 -0.10 0.00 0.00 175.22 176.17 1u41 s VAL 329 N -1.68 0.92 0.09 -0.44 0.11 -0.19 -0.60 120.40 118.60 1u41 s VAL 329 Ca 0.32 -0.47 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1u41 s VAL 329 Cb -0.11 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1u41 s VAL 329 CO 0.25 0.27 0.13 0.00 -3.33 0.00 0.00 175.10 172.42 1u41 s GLN 330 N -0.08 0.81 0.26 1.54 -2.07 0.12 -0.83 119.66 119.41 1u41 s GLN 330 Ca 0.01 -1.07 -0.20 0.00 -1.82 0.00 0.00 55.36 52.28 1u41 s GLN 330 Cb -0.07 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 1u41 s GLN 330 CO 0.00 -0.24 0.77 -0.51 -1.32 0.00 0.00 175.29 173.99 1u41 s LEU 331 N -2.89 4.28 -0.02 2.60 1.43 -1.26 -0.97 118.68 121.85 1u41 s LEU 331 Ca 0.07 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1u41 s LEU 331 Cb 0.06 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1u41 s LEU 331 CO -0.09 -0.04 -0.00 -0.60 0.23 0.00 0.00 176.35 175.84 1u41 s ARG 332 N -2.21 0.19 -0.11 1.70 3.52 -0.30 -1.88 118.95 119.86 1u41 s ARG 332 Ca 0.47 0.03 -0.18 0.00 -0.13 0.00 0.00 55.73 55.91 1u41 s ARG 332 Cb -0.15 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.89 1u41 s ARG 332 CO 0.20 -0.06 0.48 0.50 -0.81 0.00 0.00 175.30 175.61 1u41 s ARG 333 N 0.56 4.32 0.23 5.12 3.52 -0.13 -0.32 118.95 132.25 1u41 s ARG 333 Ca -0.05 0.47 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1u41 s ARG 333 Cb -0.08 -3.42 0.23 0.00 -1.56 0.00 0.00 34.95 30.12 1u41 s ARG 333 CO -0.01 0.19 1.54 0.87 -0.81 0.00 0.00 175.30 177.08 1u41 h LYS 334 N 6.57 0.18 0.32 5.12 1.57 -1.89 -1.43 116.57 127.02 1u41 h LYS 334 Ca -0.42 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1u41 h LYS 334 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1u41 h LYS 334 CO 0.75 0.76 -0.15 0.66 -0.57 0.00 0.00 179.45 180.89 1u41 h SER 335 N 0.13 -0.36 -0.04 0.86 4.64 -1.93 -3.33 113.55 113.52 1u41 h SER 335 Ca -0.01 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1u41 h SER 335 Cb 1.16 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1u41 h SER 335 CO 0.10 -0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.05 1u41 n ASP 336 N -5.20 1.71 -1.34 4.97 5.75 -1.26 -4.99 116.55 116.20 1u41 n ASP 336 Ca -0.10 -1.57 -0.18 0.00 -0.01 0.00 0.00 54.79 52.93 1u41 n ASP 336 Cb 0.24 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.23 1u41 n ASP 336 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u41 n LEU 337 N -0.11 -1.23 -4.76 -2.12 4.77 -0.54 -4.98 117.00 108.04 1u41 n LEU 337 Ca 0.02 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.06 1u41 n LEU 337 Cb 0.18 -2.57 0.03 0.00 -2.33 0.00 0.00 43.42 38.73 1u41 n LEU 337 CO 0.01 -0.96 0.90 -1.61 -1.33 0.00 0.00 177.39 174.41 1u41 s GLU 338 N -3.47 3.26 0.16 3.23 2.02 -1.25 -4.73 118.70 117.91 1u41 s GLU 338 Ca 0.00 2.00 0.08 0.00 0.02 0.00 0.00 54.97 57.08 1u41 s GLU 338 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1u41 s GLU 338 CO 0.00 -1.02 -0.18 0.95 0.02 0.00 0.00 175.26 175.02 1u41 s THR 339 N -1.44 1.78 0.87 3.63 -4.23 -1.26 -0.96 115.64 114.03 1u41 s THR 339 Ca 0.71 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1u41 s THR 339 Cb -0.35 -1.81 0.11 0.00 1.34 0.00 0.00 72.50 71.80 1u41 s THR 339 CO 0.40 -0.30 1.13 -0.94 -0.54 0.00 0.00 174.62 174.37 1u41 s SER 340 N -2.60 3.86 0.75 3.99 1.04 -0.79 -4.77 113.70 115.18 1u41 s SER 340 Ca 0.15 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.50 1u41 s SER 340 Cb -0.06 -1.68 0.05 0.00 0.10 0.00 0.00 66.02 64.43 1u41 s SER 340 CO 0.06 -2.34 1.17 -1.61 0.98 0.00 0.00 173.24 171.50 1u41 s GLU 341 N -5.25 2.10 0.50 4.02 0.41 -1.26 -4.66 118.70 114.56 1u41 s GLU 341 Ca 0.63 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.71 1u41 s GLU 341 Cb -0.14 -1.84 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 1u41 s GLU 341 CO 0.53 -1.83 0.89 -1.25 -0.49 0.00 0.00 175.26 173.11 1u41 s PRO 342 N -4.11 3.71 0.14 0.39 0.04 -1.26 -4.66 135.00 129.25 1u41 s PRO 342 Ca 0.71 0.59 0.09 0.00 0.04 0.00 0.00 61.00 62.43 1u41 s PRO 342 Cb -0.26 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1u41 s PRO 342 CO 0.47 -0.27 -0.17 0.15 0.04 0.00 0.00 177.00 177.23 1u41 s LYS 343 N -4.45 1.81 0.48 4.56 -0.14 -0.01 -4.96 119.74 117.03 1u41 s LYS 343 Ca 0.53 -1.23 -0.20 0.00 -1.36 0.00 0.00 55.97 53.71 1u41 s LYS 343 Cb -0.10 -2.10 -0.09 0.00 -1.68 0.00 0.00 37.83 33.86 1u41 s LYS 343 CO 0.40 0.46 1.03 -1.25 -0.76 0.00 0.00 175.35 175.24 1u41 s PRO 344 N -2.33 3.84 -0.05 -1.68 0.04 -1.26 -1.02 135.00 132.55 1u41 s PRO 344 Ca 0.20 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 1u41 s PRO 344 Cb -0.10 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1u41 s PRO 344 CO 0.11 -0.39 0.20 0.12 0.04 0.00 0.00 177.00 177.08 1u41 s PHE 345 N -2.01 -0.14 -0.24 0.56 5.36 -0.09 -4.80 117.98 116.61 1u41 s PHE 345 Ca 0.67 0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1u41 s PHE 345 Cb -0.15 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.60 1u41 s PHE 345 CO 0.19 -0.19 -0.10 -1.17 -1.46 0.00 0.00 175.22 172.49 1u41 s LEU 346 N -0.49 3.04 -0.17 6.12 2.96 -0.75 -0.58 118.68 128.80 1u41 s LEU 346 Ca -0.06 -0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 52.72 1u41 s LEU 346 Cb -0.04 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1u41 s LEU 346 CO 0.01 -0.12 0.57 -0.31 -1.32 0.00 0.00 176.35 175.19 1u41 s TYR 347 N 1.28 3.42 0.12 5.38 2.02 -0.83 -0.63 117.35 128.11 1u41 s TYR 347 Ca -0.01 0.90 0.07 0.00 -0.37 0.00 0.00 57.07 57.67 1u41 s TYR 347 Cb -0.17 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 1u41 s TYR 347 CO -0.06 -0.06 -0.05 1.52 -1.57 0.00 0.00 175.55 175.32 1u41 s TYR 348 N 1.47 2.81 0.64 2.71 -0.85 -0.41 -0.20 117.35 123.52 1u41 s TYR 348 Ca 0.28 -0.13 -0.17 0.00 -0.52 0.00 0.00 57.07 56.53 1u41 s TYR 348 Cb -0.16 -1.43 -0.04 0.00 0.38 0.00 0.00 41.96 40.71 1u41 s TYR 348 CO 0.11 0.47 0.80 -2.30 -1.52 0.00 0.00 175.55 173.11 1u41 n PRO 349 N 0.42 0.65 0.00 -3.49 -0.02 -1.26 -2.21 135.00 129.09 1u41 n PRO 349 Ca -0.12 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1u41 n PRO 349 Cb 0.53 -2.03 0.54 0.00 -0.02 0.00 0.00 33.50 32.53 1u41 n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57