#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 4.51 -0.16 1.20 1.43 -1.26 -4.78 118.68 119.63 1u41 s LEU 248 Ca 0.00 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.93 1u41 s LEU 248 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.69 1u41 s LEU 248 CO 0.00 -0.09 0.35 -0.75 0.23 0.00 0.00 176.35 176.09 1u41 s LYS 249 N -0.23 0.29 -0.31 1.70 2.20 -1.26 -4.30 119.74 117.82 1u41 s LYS 249 Ca 0.47 0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 56.61 1u41 s LYS 249 Cb -0.25 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1u41 s LYS 249 CO 0.32 -0.20 0.90 0.42 -0.36 0.00 0.00 175.35 176.42 1u41 s ILE 250 N 1.84 4.68 -0.15 5.43 1.01 -1.26 -1.86 121.20 130.88 1u41 s ILE 250 Ca -0.06 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 61.81 1u41 s ILE 250 Cb -0.10 -4.26 -0.23 0.00 0.01 0.00 0.00 42.46 37.88 1u41 s ILE 250 CO -0.11 -0.35 0.37 0.58 0.00 0.00 0.00 174.94 175.43 1u41 h VAL 251 N 5.66 0.91 -2.02 2.92 2.07 -1.24 -3.49 116.25 121.06 1u41 h VAL 251 Ca -0.23 -2.29 0.09 0.00 0.82 0.00 0.00 66.70 65.09 1u41 h VAL 251 Cb 1.08 2.48 -0.18 0.00 -1.52 0.00 0.00 31.29 33.15 1u41 h VAL 251 CO 0.94 0.58 0.49 0.00 0.02 0.00 0.00 177.57 179.61 1u41 s ARG 252 N -2.44 0.76 0.01 1.57 1.70 -0.90 -5.00 118.95 114.65 1u41 s ARG 252 Ca -0.24 -0.11 0.04 0.00 -0.47 0.00 0.00 55.73 54.95 1u41 s ARG 252 Cb 0.05 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1u41 s ARG 252 CO 0.69 -0.30 -0.13 -1.64 -1.08 0.00 0.00 175.30 172.84 1u41 s MET 253 N -2.31 0.98 0.50 3.89 -1.94 -1.26 0.15 119.30 119.31 1u41 s MET 253 Ca 0.02 -0.55 0.29 0.00 -1.71 0.00 0.00 55.69 53.73 1u41 s MET 253 Cb -0.01 -0.96 0.87 0.00 2.01 0.00 0.00 34.83 36.75 1u41 s MET 253 CO -0.04 0.25 1.80 0.38 -0.01 0.00 0.00 175.02 177.41 1u41 h ASP 254 N 5.53 0.00 -3.71 3.03 2.03 -1.48 -3.41 116.42 118.40 1u41 h ASP 254 Ca -0.35 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.53 1u41 h ASP 254 Cb 1.17 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.36 1u41 h ASP 254 CO 0.47 0.00 -0.78 -0.13 -1.03 0.00 0.00 179.24 177.77 1u41 s ARG 255 N -3.45 0.94 -0.10 4.15 3.00 -1.26 -5.01 118.95 117.22 1u41 s ARG 255 Ca 0.04 -0.26 0.14 0.00 0.00 0.00 0.00 55.73 55.65 1u41 s ARG 255 Cb 0.07 -0.88 0.33 0.00 0.00 0.00 0.00 34.95 34.47 1u41 s ARG 255 CO 0.60 0.06 1.24 0.25 0.00 0.00 0.00 175.30 177.46 1u41 n THR 256 N 3.47 1.73 -3.72 0.02 -2.24 -1.26 -5.00 114.28 107.28 1u41 n THR 256 Ca -0.20 -1.70 -0.10 0.00 -2.27 0.00 0.00 64.05 59.78 1u41 n THR 256 Cb 0.54 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.22 -0.69 0.18 6.98 0.00 -1.26 -1.39 121.76 123.36 1u41 s ALA 257 Ca 0.29 -0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 1u41 s ALA 257 Cb 0.23 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.96 1u41 s ALA 257 CO 0.07 -0.56 0.93 0.20 0.00 0.00 0.00 175.76 176.40 1u41 s GLY 258 N -2.66 -0.16 0.42 0.00 0.00 0.41 -4.93 107.32 100.41 1u41 s GLY 258 Ca 0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 44.72 44.49 1u41 s GLY 258 CO -0.10 0.18 1.15 0.00 0.00 0.00 0.00 173.10 174.33 1u41 h VAL 260 N 2.12 0.25 0.00 0.00 -1.51 -1.71 -2.57 116.25 112.83 1u41 h VAL 260 Ca -0.49 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1u41 h VAL 260 Cb 1.24 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1u41 h VAL 260 CO 0.62 0.00 -0.18 0.71 -1.23 0.00 0.00 177.57 177.49 1u41 h THR 261 N 0.00 0.87 -0.22 7.19 1.35 -1.89 0.62 112.91 120.83 1u41 h THR 261 Ca 0.05 -0.68 0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1u41 h THR 261 Cb 0.46 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1u41 h THR 261 CO -0.00 0.18 -0.02 0.61 -0.25 0.00 0.00 175.52 176.03 1u41 n GLY 262 N -0.76 -2.14 2.05 5.82 0.00 -0.97 -4.30 105.19 104.89 1u41 n GLY 262 Ca -0.02 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.70 0.50 3.77 -0.02 0.00 0.31 -4.91 105.19 104.15 1u41 n GLY 263 Ca 0.00 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.93 4.04 0.20 1.61 2.02 -1.26 -4.76 118.70 118.62 1u41 s GLU 264 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 1u41 s GLU 264 Cb 0.00 -3.35 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 1u41 s GLU 264 CO 0.00 0.42 1.03 -2.00 0.02 0.00 0.00 175.26 174.73 1u41 s GLU 265 N -0.08 4.69 -0.01 1.61 2.12 -1.26 -0.81 118.70 124.97 1u41 s GLU 265 Ca 0.16 1.62 0.02 0.00 0.36 0.00 0.00 54.97 57.13 1u41 s GLU 265 Cb -0.13 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 1u41 s GLU 265 CO 0.05 0.25 -0.06 0.42 -0.54 0.00 0.00 175.26 175.38 1u41 s ILE 266 N -0.62 0.45 -0.27 -3.70 1.01 0.98 -4.94 121.20 114.11 1u41 s ILE 266 Ca 0.46 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 1u41 s ILE 266 Cb -0.28 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1u41 s ILE 266 CO 0.34 0.13 0.31 -0.31 0.00 0.00 0.00 174.94 175.41 1u41 s TYR 267 N -0.11 3.24 -0.19 3.97 1.51 -1.26 -1.20 117.35 123.31 1u41 s TYR 267 Ca 0.02 0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 56.36 1u41 s TYR 267 Cb -0.03 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 1u41 s TYR 267 CO -0.00 -0.21 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.96 1u41 s LEU 268 N 1.96 2.72 -0.20 -1.29 0.20 -0.24 -1.05 118.68 120.78 1u41 s LEU 268 Ca 0.12 -0.41 -0.10 0.00 0.69 0.00 0.00 54.13 54.43 1u41 s LEU 268 Cb -0.16 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1u41 s LEU 268 CO 0.10 0.04 0.13 -0.76 -0.29 0.00 0.00 176.35 175.57 1u41 s LEU 269 N 1.11 4.21 0.17 -0.68 1.43 0.12 0.00 118.68 125.05 1u41 s LEU 269 Ca 0.01 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1u41 s LEU 269 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1u41 s LEU 269 CO -0.02 0.19 0.10 0.00 0.23 0.00 0.00 176.35 176.84 1u41 s ASP 271 N -3.11 2.98 0.01 0.00 1.01 -0.78 -4.47 116.67 112.31 1u41 s ASP 271 Ca 0.32 0.29 -0.34 0.00 0.71 0.00 0.00 52.55 53.53 1u41 s ASP 271 Cb 0.07 -0.35 -0.13 0.00 1.01 0.00 0.00 42.92 43.53 1u41 s ASP 271 CO 0.07 -2.82 1.76 1.17 0.21 0.00 0.00 175.17 175.56 1u41 n LYS 272 N -3.83 2.14 -4.44 8.23 4.81 -1.26 -4.71 118.16 119.11 1u41 n LYS 272 Ca 0.15 0.78 -0.22 0.00 -0.87 0.00 0.00 58.31 58.15 1u41 n LYS 272 Cb 0.59 -2.59 -0.10 0.00 0.02 0.00 0.00 35.03 32.95 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 2.82 1.86 -0.23 3.15 -7.23 -0.30 -4.89 120.40 115.57 1u41 s VAL 273 Ca 0.87 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1u41 s VAL 273 Cb -0.70 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1u41 s VAL 273 CO 0.47 -0.34 0.05 -1.10 -0.31 0.00 0.00 175.10 173.86 1u41 s GLN 274 N -3.67 3.66 0.48 4.82 -1.52 -1.26 -4.50 119.66 117.68 1u41 s GLN 274 Ca 0.29 -0.48 0.25 0.00 -1.95 0.00 0.00 55.36 53.47 1u41 s GLN 274 Cb 0.02 -3.24 1.31 0.00 -0.22 0.00 0.00 33.01 30.87 1u41 s GLN 274 CO 0.12 -0.10 1.87 1.57 -0.25 0.00 0.00 175.29 178.50 1u41 h LYS 275 N 7.91 0.17 -0.02 2.91 2.10 -1.93 0.69 116.57 128.41 1u41 h LYS 275 Ca -0.38 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1u41 h LYS 275 Cb 1.17 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1u41 h LYS 275 CO 0.60 0.11 -0.24 -0.25 -2.00 0.00 0.00 179.45 177.67 1u41 n ASP 276 N -4.39 1.74 -2.57 7.07 8.00 -1.26 -4.27 116.55 120.88 1u41 n ASP 276 Ca 0.19 -1.38 -0.17 0.00 0.71 0.00 0.00 54.79 54.14 1u41 n ASP 276 Cb 0.85 0.20 0.02 0.00 -0.02 0.00 0.00 41.12 42.17 1u41 n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1u41 n ASP 277 N 0.01 2.99 -3.78 -2.24 2.03 0.23 -4.92 116.55 110.88 1u41 n ASP 277 Ca 0.13 -3.19 -0.13 0.00 0.52 0.00 0.00 54.79 52.12 1u41 n ASP 277 Cb 0.43 -0.50 -0.11 0.00 -0.72 0.00 0.00 41.12 40.23 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 -4.27 0.01 0.05 5.18 1.10 -1.16 -3.78 121.20 118.33 1u41 s ILE 278 Ca 0.37 -0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.38 1u41 s ILE 278 Cb 0.43 -0.45 -0.03 0.00 0.15 0.00 0.00 42.46 42.56 1u41 s ILE 278 CO -0.07 -0.06 -0.01 0.00 -2.11 0.00 0.00 174.94 172.69 1u41 s GLN 279 N -0.16 0.57 -0.27 3.50 -2.07 0.83 -4.87 119.66 117.18 1u41 s GLN 279 Ca -0.03 -1.05 -0.01 0.00 -1.82 0.00 0.00 55.36 52.45 1u41 s GLN 279 Cb -0.03 0.20 0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1u41 s GLN 279 CO 0.01 -0.11 -0.05 0.42 -1.32 0.00 0.00 175.29 174.24 1u41 s ILE 280 N -3.36 2.74 -0.21 3.63 1.01 -1.26 -1.06 121.20 122.69 1u41 s ILE 280 Ca 0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 1u41 s ILE 280 Cb 0.04 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1u41 s ILE 280 CO -0.08 0.05 -0.03 -0.60 0.00 0.00 0.00 174.94 174.28 1u41 s ARG 281 N 1.25 3.48 -0.11 2.79 3.52 0.12 -0.94 118.95 129.06 1u41 s ARG 281 Ca -0.04 -0.58 -0.15 0.00 -0.13 0.00 0.00 55.73 54.83 1u41 s ARG 281 Cb -0.18 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1u41 s ARG 281 CO -0.04 -0.08 0.38 -0.06 -0.81 0.00 0.00 175.30 174.69 1u41 s PHE 282 N 1.21 3.54 0.06 5.12 0.40 0.91 -0.69 117.98 128.53 1u41 s PHE 282 Ca 0.03 0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 57.03 1u41 s PHE 282 Cb -0.14 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.00 1u41 s PHE 282 CO -0.00 0.31 0.23 1.52 0.70 0.00 0.00 175.22 177.98 1u41 s TYR 283 N 0.16 0.04 -0.20 0.36 1.13 0.10 -0.53 117.35 118.41 1u41 s TYR 283 Ca 0.21 -0.34 -0.07 0.00 -1.41 0.00 0.00 57.07 55.47 1u41 s TYR 283 Cb -0.14 0.00 0.10 0.00 -1.10 0.00 0.00 41.96 40.81 1u41 s TYR 283 CO 0.08 -0.50 0.42 -2.00 -2.51 0.00 0.00 175.55 171.04 1u41 s GLU 284 N -3.13 0.33 0.23 -3.49 2.12 0.27 -2.17 118.70 112.86 1u41 s GLU 284 Ca -0.01 1.00 -0.30 0.00 0.36 0.00 0.00 54.97 56.03 1u41 s GLU 284 Cb 0.01 0.28 -0.09 0.00 0.26 0.00 0.00 34.13 34.59 1u41 s GLU 284 CO -0.07 -0.29 1.30 -1.21 -0.54 0.00 0.00 175.26 174.45 1u41 s GLU 285 N 2.62 4.40 0.12 4.30 2.02 -1.26 0.18 118.70 131.06 1u41 s GLU 285 Ca -0.00 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1u41 s GLU 285 Cb -0.12 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1u41 s GLU 285 CO -0.13 -0.21 0.00 0.39 0.02 0.00 0.00 175.26 175.32 1u41 n GLU 286 N 2.17 0.00 -1.33 1.61 1.02 -1.26 -4.90 120.64 117.95 1u41 n GLU 286 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1u41 n GLU 286 Cb 0.43 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1u41 n GLU 286 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u41 n GLY 290 N 3.09 -4.40 2.85 0.62 0.00 -1.26 -5.15 105.19 100.95 1u41 n GLY 290 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.97 -0.31 -0.03 1.61 1.01 -1.26 -5.06 120.40 113.39 1u41 s VAL 291 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 1u41 s VAL 291 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1u41 s VAL 291 CO 0.00 0.05 0.77 0.86 0.00 0.00 0.00 175.10 176.78 1u41 s TRP 292 N 2.33 3.63 0.04 5.22 -0.00 0.13 -4.92 118.94 125.36 1u41 s TRP 292 Ca 0.03 1.39 0.04 0.00 -0.00 0.00 0.00 56.10 57.56 1u41 s TRP 292 Cb -0.13 -2.87 -0.02 0.00 -0.00 0.00 0.00 33.47 30.45 1u41 s TRP 292 CO -0.08 0.11 -0.13 -1.83 -0.00 0.00 0.00 176.95 175.02 1u41 s GLU 293 N 0.65 0.85 0.02 5.86 -1.05 -1.26 -0.56 118.70 123.22 1u41 s GLU 293 Ca 0.41 -0.71 0.01 0.00 -0.15 0.00 0.00 54.97 54.53 1u41 s GLU 293 Cb -0.19 -0.83 -0.02 0.00 -0.44 0.00 0.00 34.13 32.65 1u41 s GLU 293 CO 0.21 0.20 -0.06 0.20 0.95 0.00 0.00 175.26 176.77 1u41 s GLY 294 N -1.11 0.35 -0.07 -3.83 0.00 0.31 -4.99 107.32 97.99 1u41 s GLY 294 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1u41 s GLY 294 CO 0.01 -0.59 -0.12 -1.36 0.00 0.00 0.00 173.10 171.04 1u41 s PHE 295 N -1.05 2.80 0.29 1.90 0.40 -1.26 -0.06 117.98 120.99 1u41 s PHE 295 Ca -0.08 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.76 1u41 s PHE 295 Cb -0.08 -1.70 -0.13 0.00 0.51 0.00 0.00 43.02 41.63 1u41 s PHE 295 CO -0.00 0.15 1.37 0.41 0.70 0.00 0.00 175.22 177.85 1u41 n GLY 296 N 2.54 0.75 3.54 4.36 0.00 -0.12 -4.13 105.19 112.12 1u41 n GLY 296 Ca -0.18 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 0.05 6.27 0.13 1.61 2.15 0.19 -4.73 116.67 122.34 1u41 s ASP 297 Ca 0.62 -0.19 -0.24 0.00 0.43 0.00 0.00 52.55 53.17 1u41 s ASP 297 Cb -0.60 -2.25 0.08 0.00 -0.30 0.00 0.00 42.92 39.84 1u41 s ASP 297 CO 0.55 -0.49 0.67 0.72 -0.17 0.00 0.00 175.17 176.45 1u41 s PHE 298 N 2.31 -0.48 0.18 -5.34 -0.71 -1.26 -0.88 117.98 111.80 1u41 s PHE 298 Ca 0.17 0.28 0.04 0.00 -1.04 0.00 0.00 56.93 56.38 1u41 s PHE 298 Cb -0.16 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1u41 s PHE 298 CO 0.13 -0.80 0.25 -1.12 -1.34 0.00 0.00 175.22 172.35 1u41 s SER 299 N -2.70 6.03 0.42 1.98 0.01 -1.26 -5.02 113.70 113.16 1u41 s SER 299 Ca 0.02 0.03 0.23 0.00 1.31 0.00 0.00 55.95 57.54 1u41 s SER 299 Cb -0.01 -1.72 1.22 0.00 0.21 0.00 0.00 66.02 65.72 1u41 s SER 299 CO -0.11 0.02 1.73 -0.65 0.41 0.00 0.00 173.24 174.64 1u41 h PRO 300 N 1.97 0.27 0.00 12.44 0.11 -1.98 0.10 132.00 144.92 1u41 h PRO 300 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u41 h PRO 300 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u41 h PRO 300 CO 0.65 0.18 0.00 0.25 -0.21 0.00 0.00 178.00 178.87 1u41 n THR 301 N -4.62 0.82 1.14 -1.15 -2.24 -1.26 -1.63 114.28 105.34 1u41 n THR 301 Ca 0.29 0.21 0.14 0.00 -2.27 0.00 0.00 64.05 62.42 1u41 n THR 301 Cb 1.06 -1.14 0.61 0.00 -2.10 0.00 0.00 70.33 68.76 1u41 n THR 301 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u41 n ASP 302 N -2.22 0.10 -4.59 3.42 8.00 0.36 -4.67 116.55 116.95 1u41 n ASP 302 Ca 0.02 0.16 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1u41 n ASP 302 Cb 0.24 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.85 4.45 -0.55 2.53 1.01 -0.65 -2.27 120.40 122.08 1u41 s VAL 303 Ca 0.19 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.02 1u41 s VAL 303 Cb 0.19 -4.44 0.10 0.00 0.00 0.00 0.00 36.38 32.23 1u41 s VAL 303 CO 0.53 -0.77 0.60 -2.28 0.00 0.00 0.00 175.10 173.18 1u41 s HIS 304 N 3.82 3.10 -1.49 5.22 2.46 0.51 -4.44 115.29 124.47 1u41 s HIS 304 Ca 0.40 -0.94 -0.05 0.00 0.47 0.00 0.00 55.06 54.94 1u41 s HIS 304 Cb -0.10 -3.76 0.02 0.00 -0.13 0.00 0.00 32.58 28.61 1u41 s HIS 304 CO 0.25 -1.12 0.54 0.54 -2.47 0.00 0.00 174.74 172.48 1u41 n ARG 305 N 5.91 -4.36 -0.78 2.88 5.12 -1.26 -1.15 116.66 123.02 1u41 n ARG 305 Ca -0.10 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1u41 n ARG 305 Cb 0.43 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 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 -3.89 -0.21 0.00 5.56 6.02 -1.26 -4.80 117.38 118.80 1u41 n GLN 306 Ca -0.10 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1u41 n GLN 306 Cb 0.61 -3.69 0.00 0.00 1.02 0.00 0.00 30.24 28.18 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 -2.09 0.00 -3.56 1.08 3.72 -0.30 -1.15 117.46 115.16 1u41 n PHE 307 Ca 0.00 -0.34 -0.13 0.00 -0.05 0.00 0.00 57.45 56.93 1u41 n PHE 307 Cb 0.05 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.68 -0.36 -0.04 1.37 0.00 -1.13 -1.61 107.32 104.87 1u41 s GLY 308 Ca 0.00 1.86 0.01 0.00 0.00 0.00 0.00 44.72 46.58 1u41 s GLY 308 CO 0.00 1.07 -0.03 -0.42 0.00 0.00 0.00 173.10 173.72 1u41 s ILE 309 N -1.03 0.39 -0.22 0.90 1.01 0.10 -0.37 121.20 121.99 1u41 s ILE 309 Ca -0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1u41 s ILE 309 Cb -0.01 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1u41 s ILE 309 CO 0.04 0.19 0.08 -0.69 0.00 0.00 0.00 174.94 174.56 1u41 s VAL 310 N 0.93 4.73 0.29 2.92 1.01 -0.96 -1.08 120.40 128.24 1u41 s VAL 310 Ca -0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1u41 s VAL 310 Cb -0.14 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1u41 s VAL 310 CO -0.01 0.39 0.52 0.72 0.00 0.00 0.00 175.10 176.73 1u41 s PHE 311 N 0.94 0.49 -0.06 5.22 -0.71 -0.34 -4.80 117.98 118.71 1u41 s PHE 311 Ca 0.05 -0.86 0.03 0.00 -1.04 0.00 0.00 56.93 55.11 1u41 s PHE 311 Cb -0.14 0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.87 1u41 s PHE 311 CO 0.03 -1.10 -0.15 0.15 -1.34 0.00 0.00 175.22 172.80 1u41 s LYS 312 N -3.58 2.64 0.53 1.99 1.02 -0.06 -0.01 119.74 122.28 1u41 s LYS 312 Ca 0.23 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 1u41 s LYS 312 Cb -0.01 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1u41 s LYS 312 CO 0.12 0.53 1.18 0.95 -0.92 0.00 0.00 175.35 177.21 1u41 s THR 313 N -0.49 2.93 0.65 2.17 -4.23 0.01 -0.64 115.64 116.04 1u41 s THR 313 Ca 0.06 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1u41 s THR 313 Cb -0.12 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1u41 s THR 313 CO 0.02 -0.08 1.05 -2.16 -0.54 0.00 0.00 174.62 172.90 1u41 s PRO 314 N -3.10 3.32 0.18 3.99 0.04 -1.26 -0.53 135.00 137.65 1u41 s PRO 314 Ca 0.71 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1u41 s PRO 314 Cb -0.28 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1u41 s PRO 314 CO 0.32 -0.73 1.19 0.21 0.04 0.00 0.00 177.00 178.03 1u41 s LYS 315 N -5.23 4.49 0.92 4.56 2.20 -1.26 -4.05 119.74 121.37 1u41 s LYS 315 Ca 0.56 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.92 1u41 s LYS 315 Cb -0.11 -3.25 0.15 0.00 -1.51 0.00 0.00 37.83 33.11 1u41 s LYS 315 CO 0.53 -0.09 1.09 -0.47 -0.36 0.00 0.00 175.35 176.05 1u41 s TYR 316 N -0.02 2.11 0.27 4.03 5.04 0.21 -4.91 117.35 124.08 1u41 s TYR 316 Ca 0.53 1.34 -0.02 0.00 -2.44 0.00 0.00 57.07 56.49 1u41 s TYR 316 Cb -0.32 -3.17 0.37 0.00 0.35 0.00 0.00 41.96 39.19 1u41 s TYR 316 CO 0.36 -2.60 1.80 1.57 -1.34 0.00 0.00 175.55 175.34 1u41 h LYS 317 N -1.71 0.82 -4.36 4.97 2.10 -1.96 -3.40 116.57 113.04 1u41 h LYS 317 Ca -0.50 -0.19 -0.61 0.00 -2.00 0.00 0.00 60.65 57.36 1u41 h LYS 317 Cb 1.28 -0.11 -0.38 0.00 -0.90 0.00 0.00 32.23 32.12 1u41 h LYS 317 CO 0.52 0.77 -0.79 0.34 -2.00 0.00 0.00 179.45 178.29 1u41 s ASP 318 N -6.60 3.86 0.00 7.07 -1.08 -1.26 -5.00 116.67 113.66 1u41 s ASP 318 Ca -0.10 -1.18 0.29 0.00 -0.52 0.00 0.00 52.55 51.04 1u41 s ASP 318 Cb 0.15 -1.18 1.20 0.00 -1.46 0.00 0.00 42.92 41.63 1u41 s ASP 318 CO 0.81 -0.24 1.89 0.52 0.52 0.00 0.00 175.17 178.67 1u41 n VAL 319 N 4.67 0.00 -1.04 1.11 0.31 -1.26 -3.69 118.33 118.43 1u41 n VAL 319 Ca -0.12 -0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 1u41 n VAL 319 Cb 0.44 -0.40 0.32 0.00 -0.91 0.00 0.00 33.84 33.28 1u41 n VAL 319 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1u41 n ASN 320 N -1.44 4.80 -4.77 4.52 3.02 -1.26 -4.53 115.26 115.60 1u41 n ASN 320 Ca 0.08 -3.17 -0.37 0.00 -0.03 0.00 0.00 54.58 51.08 1u41 n ASN 320 Cb 0.32 -0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1u41 n ASN 320 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1u41 s ILE 321 N -2.95 2.92 -0.12 2.41 -4.36 -1.24 -4.95 121.20 112.91 1u41 s ILE 321 Ca 0.53 0.70 0.22 0.00 -0.26 0.00 0.00 60.65 61.84 1u41 s ILE 321 Cb 0.42 -3.36 -0.32 0.00 1.25 0.00 0.00 42.46 40.45 1u41 s ILE 321 CO 0.13 0.00 0.54 0.35 0.24 0.00 0.00 174.94 176.19 1u41 n THR 322 N -0.52 0.02 -4.14 8.37 -2.24 -1.26 -4.53 114.28 109.97 1u41 n THR 322 Ca 0.07 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1u41 n THR 322 Cb 0.47 0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1u41 n THR 322 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1u41 s LYS 323 N -3.47 0.75 0.36 -0.78 -2.85 -1.26 -4.88 119.74 107.62 1u41 s LYS 323 Ca -0.06 -0.98 -0.27 0.00 -1.00 0.00 0.00 55.97 53.66 1u41 s LYS 323 Cb 0.14 -0.59 -0.12 0.00 -2.06 0.00 0.00 37.83 35.20 1u41 s LYS 323 CO 0.90 0.11 1.16 -2.30 0.10 0.00 0.00 175.35 175.33 1u41 n PRO 324 N 1.07 1.76 -4.46 1.78 -0.02 -1.26 -4.75 135.00 129.12 1u41 n PRO 324 Ca -0.20 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1u41 n PRO 324 Cb 0.55 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.14 2.91 -0.10 3.55 0.00 -0.08 -4.97 121.76 121.94 1u41 s ALA 325 Ca 0.59 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 1u41 s ALA 325 Cb -0.59 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1u41 s ALA 325 CO 0.60 0.19 0.52 -1.12 0.00 0.00 0.00 175.76 175.96 1u41 s SER 326 N 0.41 6.76 0.37 0.00 0.01 -1.26 -1.31 113.70 118.67 1u41 s SER 326 Ca -0.05 0.91 0.03 0.00 1.31 0.00 0.00 55.95 58.14 1u41 s SER 326 Cb -0.15 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1u41 s SER 326 CO 0.03 -0.01 0.10 1.33 0.41 0.00 0.00 173.24 175.11 1u41 n VAL 327 N 3.60 0.00 -4.23 3.43 0.24 0.20 -4.98 118.33 116.59 1u41 n VAL 327 Ca -0.06 -2.04 -0.27 0.00 -2.04 0.00 0.00 64.34 59.92 1u41 n VAL 327 Cb 0.52 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.80 2.76 -0.04 6.34 0.08 -0.92 -1.36 117.98 122.04 1u41 s PHE 328 Ca 0.14 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1u41 s PHE 328 Cb 0.01 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1u41 s PHE 328 CO 0.10 0.50 -0.15 0.08 -0.10 0.00 0.00 175.22 175.65 1u41 s VAL 329 N -1.61 1.26 0.06 -0.44 1.01 -0.15 -0.73 120.40 119.80 1u41 s VAL 329 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1u41 s VAL 329 Cb -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1u41 s VAL 329 CO 0.17 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 1u41 s GLN 330 N 0.10 0.61 0.36 2.72 -2.07 0.13 -0.71 119.66 120.79 1u41 s GLN 330 Ca -0.04 -1.07 -0.10 0.00 -1.82 0.00 0.00 55.36 52.32 1u41 s GLN 330 Cb -0.11 -0.01 -0.07 0.00 -1.09 0.00 0.00 33.01 31.73 1u41 s GLN 330 CO 0.02 -0.05 0.71 -0.51 -1.32 0.00 0.00 175.29 174.14 1u41 s LEU 331 N -2.49 3.93 -0.17 2.60 1.43 -1.26 -0.70 118.68 122.02 1u41 s LEU 331 Ca 0.02 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.10 1u41 s LEU 331 Cb 0.01 -3.92 0.06 0.00 0.03 0.00 0.00 46.19 42.37 1u41 s LEU 331 CO -0.05 -0.31 0.41 -0.60 0.23 0.00 0.00 176.35 176.03 1u41 s ARG 332 N -3.58 0.39 0.03 1.70 3.52 -0.22 -1.37 118.95 119.41 1u41 s ARG 332 Ca 0.50 0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 1u41 s ARG 332 Cb -0.10 -0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 1u41 s ARG 332 CO 0.28 -0.17 1.10 0.50 -0.81 0.00 0.00 175.30 176.21 1u41 s ARG 333 N 1.48 4.49 0.24 5.12 3.52 -0.40 -0.12 118.95 133.28 1u41 s ARG 333 Ca -0.09 1.61 -0.01 0.00 -0.13 0.00 0.00 55.73 57.10 1u41 s ARG 333 Cb -0.09 -3.41 0.26 0.00 -1.56 0.00 0.00 34.95 30.16 1u41 s ARG 333 CO -0.13 -0.17 1.64 0.87 -0.81 0.00 0.00 175.30 176.70 1u41 h LYS 334 N 6.83 0.61 0.78 5.12 1.57 -1.90 -1.74 116.57 127.83 1u41 h LYS 334 Ca -0.41 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.07 1u41 h LYS 334 Cb 1.21 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.51 1u41 h LYS 334 CO 0.79 0.84 -0.37 0.66 -0.57 0.00 0.00 179.45 180.79 1u41 h SER 335 N 0.52 -0.88 -0.35 0.86 4.64 -1.93 -3.35 113.55 113.06 1u41 h SER 335 Ca 0.06 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u41 h SER 335 Cb 0.78 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1u41 h SER 335 CO 0.06 -0.60 0.00 -0.90 -0.87 0.00 0.00 176.83 174.52 1u41 n ASP 336 N -4.96 2.93 -0.61 4.97 5.68 -1.26 -4.98 116.55 118.31 1u41 n ASP 336 Ca -0.13 -2.00 -0.07 0.00 -0.50 0.00 0.00 54.79 52.09 1u41 n ASP 336 Cb 0.41 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.52 -0.04 -4.73 -2.12 4.77 -0.65 -4.97 117.00 109.78 1u41 n LEU 337 Ca 0.12 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.92 1u41 n LEU 337 Cb 0.43 -2.19 0.08 0.00 -2.33 0.00 0.00 43.42 39.41 1u41 n LEU 337 CO 0.08 -0.82 0.80 -1.61 -1.33 0.00 0.00 177.39 174.52 1u41 s GLU 338 N -2.33 2.31 0.13 3.23 0.41 -1.26 -4.69 118.70 116.51 1u41 s GLU 338 Ca 0.00 1.75 0.02 0.00 -0.41 0.00 0.00 54.97 56.33 1u41 s GLU 338 Cb 0.00 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.45 1u41 s GLU 338 CO 0.00 -1.70 -0.03 0.95 -0.49 0.00 0.00 175.26 173.99 1u41 s THR 339 N -1.94 0.69 0.86 3.63 -4.23 -1.26 -1.27 115.64 112.12 1u41 s THR 339 Ca 0.74 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 59.19 1u41 s THR 339 Cb -0.29 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 71.82 1u41 s THR 339 CO 0.43 -0.68 1.19 -0.94 -0.54 0.00 0.00 174.62 174.08 1u41 s SER 340 N -3.11 3.70 0.45 3.99 1.04 -0.47 -4.67 113.70 114.63 1u41 s SER 340 Ca 0.18 0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.47 1u41 s SER 340 Cb 0.06 -0.31 -0.08 0.00 0.10 0.00 0.00 66.02 65.79 1u41 s SER 340 CO -0.00 -2.33 1.17 -1.61 0.98 0.00 0.00 173.24 171.45 1u41 s GLU 341 N -5.59 3.79 0.71 4.02 0.41 -1.26 -4.70 118.70 116.09 1u41 s GLU 341 Ca 0.70 1.81 -0.11 0.00 -0.41 0.00 0.00 54.97 56.95 1u41 s GLU 341 Cb -0.05 -2.45 0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1u41 s GLU 341 CO 0.49 -0.53 1.07 -1.25 -0.49 0.00 0.00 175.26 174.55 1u41 s PRO 342 N -2.63 2.79 0.12 0.39 0.04 -1.26 -4.69 135.00 129.76 1u41 s PRO 342 Ca 0.63 1.04 0.10 0.00 0.04 0.00 0.00 61.00 62.80 1u41 s PRO 342 Cb -0.29 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1u41 s PRO 342 CO 0.36 -1.22 -0.25 0.15 0.04 0.00 0.00 177.00 176.08 1u41 s LYS 343 N -4.91 1.30 0.42 4.56 -0.14 0.11 -4.94 119.74 116.13 1u41 s LYS 343 Ca 0.59 -1.27 -0.23 0.00 -1.36 0.00 0.00 55.97 53.71 1u41 s LYS 343 Cb -0.15 -1.70 -0.09 0.00 -1.68 0.00 0.00 37.83 34.21 1u41 s LYS 343 CO 0.54 0.40 1.01 -1.25 -0.76 0.00 0.00 175.35 175.29 1u41 s PRO 344 N -1.99 4.13 -0.05 -1.68 0.04 -1.26 -0.98 135.00 133.22 1u41 s PRO 344 Ca 0.11 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1u41 s PRO 344 Cb -0.10 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1u41 s PRO 344 CO 0.05 -0.14 0.11 0.12 0.04 0.00 0.00 177.00 177.18 1u41 s PHE 345 N -1.85 -0.12 -0.23 0.56 5.36 -0.46 -4.84 117.98 116.41 1u41 s PHE 345 Ca 0.60 0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.85 1u41 s PHE 345 Cb -0.17 -0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 1u41 s PHE 345 CO 0.22 -0.09 0.03 -1.17 -1.46 0.00 0.00 175.22 172.74 1u41 s LEU 346 N 0.51 3.27 -0.23 6.12 2.96 -0.49 -0.63 118.68 130.20 1u41 s LEU 346 Ca -0.04 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.48 1u41 s LEU 346 Cb -0.05 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1u41 s LEU 346 CO -0.02 -0.00 0.37 -0.31 -1.32 0.00 0.00 176.35 175.07 1u41 s TYR 347 N 1.40 3.33 0.14 5.38 2.02 -0.43 -0.44 117.35 128.75 1u41 s TYR 347 Ca 0.05 0.52 0.04 0.00 -0.37 0.00 0.00 57.07 57.31 1u41 s TYR 347 Cb -0.15 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 1u41 s TYR 347 CO 0.01 -0.07 0.16 1.52 -1.57 0.00 0.00 175.55 175.61 1u41 s TYR 348 N 1.52 3.24 0.46 2.71 -0.85 -0.19 -0.90 117.35 123.34 1u41 s TYR 348 Ca 0.17 0.04 -0.22 0.00 -0.52 0.00 0.00 57.07 56.53 1u41 s TYR 348 Cb -0.15 -1.57 -0.11 0.00 0.38 0.00 0.00 41.96 40.51 1u41 s TYR 348 CO 0.08 0.52 0.73 -2.30 -1.52 0.00 0.00 175.55 173.06 1u41 n PRO 349 N -0.24 0.84 0.00 -3.49 -0.02 -1.26 -2.01 135.00 128.82 1u41 n PRO 349 Ca -0.08 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.74 1u41 n PRO 349 Cb 0.54 -1.77 0.20 0.00 -0.02 0.00 0.00 33.50 32.45 1u41 n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57