#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgr s ALA 251 N 0.00 -0.31 -0.10 -0.43 0.00 -0.35 -0.17 121.76 120.40 3fgr s ALA 251 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3fgr s ALA 251 Cb 0.00 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.35 3fgr s ALA 251 CO 0.00 -0.28 0.24 -1.17 0.00 0.00 0.00 175.76 174.56 3fgr s LEU 252 N -1.73 0.47 -0.18 0.00 2.96 -0.55 -1.01 118.68 118.64 3fgr s LEU 252 Ca -0.10 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3fgr s LEU 252 Cb -0.04 0.74 -0.01 0.00 0.50 0.00 0.00 46.19 47.38 3fgr s LEU 252 CO -0.01 -0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.14 3fgr s ILE 253 N 1.17 3.15 -0.09 6.68 1.01 0.10 -0.76 121.20 132.47 3fgr s ILE 253 Ca -0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 3fgr s ILE 253 Cb -0.10 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.02 3fgr s ILE 253 CO -0.08 0.48 -0.05 -0.75 0.00 0.00 0.00 174.94 174.54 3fgr s LYS 254 N 0.97 1.19 -0.26 2.79 2.47 -0.05 -0.76 119.74 126.09 3fgr s LYS 254 Ca -0.01 -0.14 -0.26 0.00 -1.56 0.00 0.00 55.97 54.00 3fgr s LYS 254 Cb -0.15 -1.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.92 3fgr s LYS 254 CO -0.01 -0.24 0.92 -1.17 0.16 0.00 0.00 175.35 175.02 3fgr s LEU 255 N 1.63 4.06 0.73 5.43 2.96 -0.39 -0.89 118.68 132.21 3fgr s LEU 255 Ca 0.02 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.90 3fgr s LEU 255 Cb -0.13 -3.33 0.03 0.00 0.50 0.00 0.00 46.19 43.26 3fgr s LEU 255 CO -0.06 -0.63 1.07 -0.76 -1.32 0.00 0.00 176.35 174.65 3fgr s LEU 256 N 3.09 3.09 0.30 -0.68 1.43 -0.43 -4.87 118.68 120.61 3fgr s LEU 256 Ca 0.39 1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 54.91 3fgr s LEU 256 Cb -0.14 -4.50 -0.14 0.00 0.03 0.00 0.00 46.19 41.43 3fgr s LEU 256 CO 0.09 -1.68 0.91 -2.65 0.23 0.00 0.00 176.35 173.25 3fgr n PRO 257 N -3.29 1.12 -0.96 1.29 -0.02 -1.26 -0.71 135.00 131.17 3fgr n PRO 257 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3fgr n PRO 257 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3fgr n PRO 257 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgr n GLY 258 N 1.36 0.28 2.30 -1.23 0.00 -1.26 -2.44 105.19 104.20 3fgr n GLY 258 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3fgr n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgr n GLY 259 N -1.13 0.33 0.23 -0.02 0.00 0.11 -4.12 105.19 100.59 3fgr n GLY 259 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3fgr n GLY 259 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fgr h HIS 260 N 0.00 0.00 -2.78 1.61 3.86 -1.50 0.24 115.15 116.58 3fgr h HIS 260 Ca -0.31 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.00 3fgr h HIS 260 Cb 1.13 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.54 3fgr h HIS 260 CO 0.37 0.22 0.31 0.34 0.86 0.00 0.00 177.93 180.03 3fgr s ASP 261 N -6.56 -0.24 -0.18 2.45 -1.08 -1.26 -4.56 116.67 105.25 3fgr s ASP 261 Ca -0.03 -0.54 -0.03 0.00 -0.52 0.00 0.00 52.55 51.43 3fgr s ASP 261 Cb 0.14 0.65 0.06 0.00 -1.46 0.00 0.00 42.92 42.30 3fgr s ASP 261 CO 0.65 -1.20 0.05 -0.22 0.52 0.00 0.00 175.17 174.97 3fgr s LEU 262 N -2.92 0.93 -0.03 -1.34 2.96 -1.26 -1.32 118.68 115.69 3fgr s LEU 262 Ca 0.11 -0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3fgr s LEU 262 Cb -0.04 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 3fgr s LEU 262 CO 0.05 -0.31 0.18 -0.76 -1.32 0.00 0.00 176.35 174.19 3fgr s LEU 263 N 1.94 4.37 -0.07 -0.68 1.43 -0.07 -3.34 118.68 122.25 3fgr s LEU 263 Ca 0.00 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 3fgr s LEU 263 Cb -0.16 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.55 3fgr s LEU 263 CO -0.08 0.29 -0.09 -0.69 0.23 0.00 0.00 176.35 176.01 3fgr s VAL 264 N -1.27 0.96 0.04 -1.59 1.01 -0.66 -0.87 120.40 118.02 3fgr s VAL 264 Ca 0.25 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3fgr s VAL 264 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3fgr s VAL 264 CO 0.16 0.33 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 3fgr s ALA 265 N 1.05 0.43 -0.09 5.51 0.00 0.07 -0.57 121.76 128.16 3fgr s ALA 265 Ca -0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3fgr s ALA 265 Cb -0.14 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3fgr s ALA 265 CO -0.01 -0.13 0.23 -1.58 0.00 0.00 0.00 175.76 174.27 3fgr s HIS 266 N -1.88 -0.26 -0.22 0.00 2.46 -0.48 -1.49 115.29 113.41 3fgr s HIS 266 Ca -0.09 0.64 0.01 0.00 0.47 0.00 0.00 55.06 56.09 3fgr s HIS 266 Cb -0.07 0.08 0.05 0.00 -0.13 0.00 0.00 32.58 32.51 3fgr s HIS 266 CO -0.02 -0.14 -0.07 1.21 -2.47 0.00 0.00 174.74 173.26 3fgr s ASN 267 N 0.31 3.67 0.12 9.88 2.47 0.76 -1.04 114.94 131.11 3fgr s ASN 267 Ca -0.02 -1.07 -0.30 0.00 0.42 0.00 0.00 52.86 51.89 3fgr s ASN 267 Cb -0.03 -1.18 -0.07 0.00 -1.45 0.00 0.00 41.25 38.53 3fgr s ASN 267 CO -0.01 -0.21 1.19 -0.89 -3.72 0.00 0.00 177.10 173.46 3fgr s THR 268 N 1.41 3.82 -0.16 -5.21 2.01 -1.25 -1.57 115.64 114.70 3fgr s THR 268 Ca -0.04 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 63.32 3fgr s THR 268 Cb -0.18 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3fgr s THR 268 CO -0.07 0.17 0.03 0.26 -0.69 0.00 0.00 174.62 174.33 3fgr s TRP 269 N 0.48 3.20 0.33 4.92 0.52 -1.26 -0.40 118.94 126.73 3fgr s TRP 269 Ca 0.55 0.03 -0.18 0.00 0.02 0.00 0.00 56.10 56.52 3fgr s TRP 269 Cb -0.31 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3fgr s TRP 269 CO 0.33 0.20 0.76 1.21 0.02 0.00 0.00 176.95 179.46 3fgr s ASN 270 N 0.08 -0.12 0.40 2.95 3.84 -0.53 -4.93 114.94 116.63 3fgr s ASN 270 Ca 0.04 -0.88 -0.25 0.00 0.21 0.00 0.00 52.86 51.97 3fgr s ASN 270 Cb -0.13 0.79 -0.08 0.00 -0.55 0.00 0.00 41.25 41.28 3fgr s ASN 270 CO 0.01 -1.52 1.19 -0.44 -2.79 0.00 0.00 177.10 173.56 3fgr s SER 271 N -3.00 6.47 0.51 -4.21 0.01 -1.26 -2.02 113.70 110.19 3fgr s SER 271 Ca 0.13 2.40 0.23 0.00 1.31 0.00 0.00 55.95 60.02 3fgr s SER 271 Cb -0.05 -2.62 1.36 0.00 0.21 0.00 0.00 66.02 64.91 3fgr s SER 271 CO 0.09 -0.72 2.08 1.88 0.41 0.00 0.00 173.24 176.99 3fgr h TYR 272 N 2.62 0.00 0.00 2.43 0.99 -1.43 -1.23 116.97 120.35 3fgr h TYR 272 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 3fgr h TYR 272 Cb 1.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.97 3fgr h TYR 272 CO 0.55 0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.82 3fgr n GLN 273 N -3.97 0.02 -0.07 4.88 10.64 -1.26 -2.25 117.38 125.38 3fgr n GLN 273 Ca -0.02 0.33 0.11 0.00 -1.83 0.00 0.00 57.00 55.59 3fgr n GLN 273 Cb 0.20 -1.54 0.40 0.00 -0.86 0.00 0.00 30.24 28.44 3fgr n GLN 273 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fgr n ASN 274 N -1.58 1.58 -1.51 2.61 4.13 -0.47 -4.62 115.26 115.40 3fgr n ASN 274 Ca 0.02 -1.67 -0.00 0.00 1.68 0.00 0.00 54.58 54.61 3fgr n ASN 274 Cb 0.13 -0.09 -0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3fgr n ASN 274 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3fgr n MET 275 N 0.26 1.03 -3.51 3.52 2.81 -0.95 -4.67 117.12 115.61 3fgr n MET 275 Ca 0.16 -0.04 -0.39 0.00 -1.81 0.00 0.00 57.70 55.62 3fgr n MET 275 Cb 0.32 -1.02 -0.10 0.00 -0.71 0.00 0.00 33.22 31.71 3fgr n MET 275 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fgr s LEU 276 N -0.04 4.24 -0.00 4.03 1.43 -1.26 -4.90 118.68 122.18 3fgr s LEU 276 Ca 0.01 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3fgr s LEU 276 Cb 0.01 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3fgr s LEU 276 CO -0.00 -0.18 -0.22 -0.13 0.23 0.00 0.00 176.35 176.05 3fgr s ARG 277 N 1.84 1.73 -0.07 1.70 1.81 -1.26 -4.16 118.95 120.54 3fgr s ARG 277 Ca 0.09 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 3fgr s ARG 277 Cb -0.16 -1.71 0.02 0.00 -0.45 0.00 0.00 34.95 32.65 3fgr s ARG 277 CO 0.11 0.46 -0.05 0.42 -0.68 0.00 0.00 175.30 175.56 3fgr s ILE 278 N -0.58 0.67 -0.13 1.52 1.01 -0.80 -4.93 121.20 117.97 3fgr s ILE 278 Ca 0.09 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 3fgr s ILE 278 Cb -0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3fgr s ILE 278 CO -0.00 0.28 0.70 -0.63 0.00 0.00 0.00 174.94 175.29 3fgr s ILE 279 N 1.31 5.01 -0.05 2.92 1.01 -1.26 -0.50 121.20 129.63 3fgr s ILE 279 Ca -0.04 1.39 0.05 0.00 0.00 0.00 0.00 60.65 62.05 3fgr s ILE 279 Cb -0.14 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3fgr s ILE 279 CO -0.02 0.16 -0.21 -0.54 0.00 0.00 0.00 174.94 174.32 3fgr s LYS 280 N 1.45 2.49 -0.19 2.79 1.02 -0.23 -4.96 119.74 122.11 3fgr s LYS 280 Ca 0.35 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3fgr s LYS 280 Cb -0.17 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3fgr s LYS 280 CO 0.14 0.49 -0.19 0.21 -0.92 0.00 0.00 175.35 175.08 3fgr s LYS 281 N -0.41 2.87 -0.11 1.68 2.20 -1.26 -1.00 119.74 123.71 3fgr s LYS 281 Ca 0.04 -0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 3fgr s LYS 281 Cb -0.12 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3fgr s LYS 281 CO 0.02 -0.26 -0.03 0.71 -0.36 0.00 0.00 175.35 175.42 3fgr s TYR 282 N 1.26 3.06 -0.36 4.03 4.12 0.32 -4.99 117.35 124.79 3fgr s TYR 282 Ca 0.03 -0.02 0.02 0.00 0.02 0.00 0.00 57.07 57.12 3fgr s TYR 282 Cb -0.14 -1.84 0.11 0.00 -1.52 0.00 0.00 41.96 38.57 3fgr s TYR 282 CO -0.12 0.25 0.11 1.03 0.02 0.00 0.00 175.55 176.84 3fgr s ARG 283 N -0.39 1.28 0.45 -0.62 0.52 -1.26 -1.62 118.95 117.32 3fgr s ARG 283 Ca 0.07 -1.74 0.08 0.00 -0.52 0.00 0.00 55.73 53.61 3fgr s ARG 283 Cb -0.12 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.60 3fgr s ARG 283 CO 0.02 -1.00 0.49 -0.51 0.02 0.00 0.00 175.30 174.32 3fgr s LEU 284 N 0.91 3.39 -0.35 2.53 1.43 0.54 -5.02 118.68 122.12 3fgr s LEU 284 Ca 0.12 -0.69 0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3fgr s LEU 284 Cb -0.20 -2.14 0.45 0.00 0.03 0.00 0.00 46.19 44.34 3fgr s LEU 284 CO -0.11 -0.80 1.03 0.00 0.23 0.00 0.00 176.35 176.69 3fgr n GLN 285 N -1.74 2.01 -2.35 1.70 1.13 -1.26 -4.76 117.38 112.11 3fgr n GLN 285 Ca 0.06 -3.70 -0.32 0.00 -1.94 0.00 0.00 57.00 51.11 3fgr n GLN 285 Cb 0.61 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 3fgr n GLN 285 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3fgr s PHE 286 N -3.34 3.49 0.29 1.08 2.99 -1.26 -4.98 117.98 116.25 3fgr s PHE 286 Ca 0.34 1.36 0.09 0.00 0.00 0.00 0.00 56.93 58.73 3fgr s PHE 286 Cb 0.42 -2.72 -0.04 0.00 0.00 0.00 0.00 43.02 40.68 3fgr s PHE 286 CO -0.04 -0.40 0.06 1.03 -0.00 0.00 0.00 175.22 175.87 3fgr s ARG 287 N -4.29 2.38 0.40 0.44 0.52 -1.26 -1.38 118.95 115.74 3fgr s ARG 287 Ca 0.57 -1.43 0.15 0.00 -0.52 0.00 0.00 55.73 54.51 3fgr s ARG 287 Cb -0.10 -2.20 0.83 0.00 0.52 0.00 0.00 34.95 34.00 3fgr s ARG 287 CO 0.36 0.29 1.86 0.93 0.02 0.00 0.00 175.30 178.76 3fgr h GLU 288 N 1.74 0.00 -4.71 3.54 5.08 -1.24 -3.43 114.58 115.57 3fgr h GLU 288 Ca -0.44 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.57 3fgr h GLU 288 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 3fgr h GLU 288 CO 0.61 0.33 -0.54 0.20 -1.00 0.00 0.00 179.01 178.61 3fgr s GLY 289 N -4.29 1.85 0.00 -3.84 0.00 -1.26 -5.05 107.32 94.73 3fgr s GLY 289 Ca -0.03 -1.86 0.08 0.00 0.00 0.00 0.00 44.72 42.91 3fgr s GLY 289 CO 0.70 -1.41 1.15 -1.55 0.00 0.00 0.00 173.10 171.99 3fgr n PRO 290 N -0.45 0.82 -4.63 2.90 -0.04 -1.26 -4.73 135.00 127.60 3fgr n PRO 290 Ca 0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 3fgr n PRO 290 Cb 0.64 -1.15 -0.14 0.00 -0.04 0.00 0.00 33.50 32.81 3fgr n PRO 290 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fgr s GLN 291 N -2.00 1.53 0.63 0.54 1.11 -1.26 -5.03 119.66 115.18 3fgr s GLN 291 Ca 0.12 -1.16 0.35 0.00 0.01 0.00 0.00 55.36 54.68 3fgr s GLN 291 Cb 0.05 -1.81 2.02 0.00 -1.01 0.00 0.00 33.01 32.26 3fgr s GLN 291 CO 0.09 0.45 2.24 1.49 0.01 0.00 0.00 175.29 179.57 3fgr h GLU 292 N 4.44 0.00 0.00 2.91 4.57 -2.02 -1.75 114.58 122.73 3fgr h GLU 292 Ca -0.47 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 3fgr h GLU 292 Cb 1.16 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3fgr h GLU 292 CO 0.42 0.00 -0.17 0.93 -1.18 0.00 0.00 179.01 179.01 3fgr h GLU 293 N 0.00 0.00 -7.05 1.92 3.07 -1.95 -3.45 114.58 107.12 3fgr h GLU 293 Ca 0.02 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.34 3fgr h GLU 293 Cb 0.16 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 28.19 3fgr h GLU 293 CO -0.00 0.17 0.55 0.71 -1.40 0.00 0.00 179.01 179.04 3fgr s TYR 294 N -4.00 2.45 0.76 4.33 1.51 -0.66 -4.99 117.35 116.75 3fgr s TYR 294 Ca -0.02 1.44 -0.14 0.00 -1.01 0.00 0.00 57.07 57.35 3fgr s TYR 294 Cb 0.12 -3.64 0.06 0.00 -0.11 0.00 0.00 41.96 38.39 3fgr s TYR 294 CO 0.61 -2.44 1.18 -2.14 -1.11 0.00 0.00 175.55 171.64 3fgr s PRO 295 N -2.93 2.01 0.48 -1.71 0.02 -1.26 -4.64 135.00 126.97 3fgr s PRO 295 Ca 0.71 1.63 -0.24 0.00 0.02 0.00 0.00 61.00 63.12 3fgr s PRO 295 Cb -0.36 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.26 3fgr s PRO 295 CO 0.42 -1.90 1.39 1.28 -0.33 0.00 0.00 177.00 177.85 3fgr n LEU 296 N -3.03 5.13 -4.72 -5.54 4.77 -1.26 -0.81 117.00 111.54 3fgr n LEU 296 Ca 0.12 1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 56.86 3fgr n LEU 296 Cb 0.51 -1.58 0.12 0.00 -2.33 0.00 0.00 43.42 40.14 3fgr n LEU 296 CO 0.48 -0.36 0.71 0.68 -1.33 0.00 0.00 177.39 177.57 3fgr s VAL 297 N -1.23 2.59 0.28 4.08 -7.23 -0.48 -4.67 120.40 113.74 3fgr s VAL 297 Ca 0.65 0.21 0.08 0.00 -1.81 0.00 0.00 61.98 61.10 3fgr s VAL 297 Cb -0.44 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 3fgr s VAL 297 CO 0.55 -0.24 1.64 0.00 -0.31 0.00 0.00 175.10 176.74 3fgr h ALA 298 N -1.31 1.01 -0.98 1.32 0.00 -1.74 -3.29 119.26 114.27 3fgr h ALA 298 Ca -0.44 -0.49 -0.67 0.00 0.00 0.00 0.00 54.91 53.31 3fgr h ALA 298 Cb 1.26 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.66 3fgr h ALA 298 CO 0.47 0.68 0.73 0.41 0.00 0.00 0.00 179.25 181.53 3fgr n GLY 299 N 0.07 5.92 0.24 0.00 0.00 0.26 -3.41 105.19 108.27 3fgr n GLY 299 Ca -0.02 -2.34 0.12 0.00 0.00 0.00 0.00 46.02 43.78 3fgr n GLY 299 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fgr h ASN 300 N 2.03 0.00 -3.43 1.61 2.35 -1.82 -3.43 115.58 112.89 3fgr h ASN 300 Ca 0.59 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.68 3fgr h ASN 300 Cb 0.86 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.00 3fgr h ASN 300 CO 1.52 0.15 -0.72 0.20 -1.65 0.00 0.00 177.43 176.93 3fgr s ASN 301 N -6.04 4.38 -0.05 5.81 0.01 -1.26 -0.34 114.94 117.45 3fgr s ASN 301 Ca 0.01 -0.20 -0.25 0.00 -0.71 0.00 0.00 52.86 51.71 3fgr s ASN 301 Cb 0.10 -1.53 0.05 0.00 0.41 0.00 0.00 41.25 40.28 3fgr s ASN 301 CO 0.61 0.21 0.55 -1.48 -1.51 0.00 0.00 177.10 175.48 3fgr s LEU 302 N 0.07 -0.12 -0.02 0.60 2.34 -0.64 -0.33 118.68 120.59 3fgr s LEU 302 Ca -0.03 0.54 0.03 0.00 0.06 0.00 0.00 54.13 54.73 3fgr s LEU 302 Cb -0.14 2.07 -0.00 0.00 -0.56 0.00 0.00 46.19 47.56 3fgr s LEU 302 CO 0.04 -0.53 -0.11 0.68 -1.06 0.00 0.00 176.35 175.37 3fgr s VAL 303 N -1.13 0.93 -0.00 1.48 -7.23 -0.54 -0.52 120.40 113.39 3fgr s VAL 303 Ca -0.11 -0.47 -0.24 0.00 -1.81 0.00 0.00 61.98 59.35 3fgr s VAL 303 Cb -0.02 -0.80 0.05 0.00 0.56 0.00 0.00 36.38 36.17 3fgr s VAL 303 CO 0.07 0.27 0.53 0.72 -0.31 0.00 0.00 175.10 176.39 3fgr s PHE 304 N -0.06 -0.46 0.22 2.82 -0.12 -0.17 -0.74 117.98 119.47 3fgr s PHE 304 Ca 0.01 0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 57.25 3fgr s PHE 304 Cb -0.07 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.55 3fgr s PHE 304 CO 0.00 -0.58 0.93 -1.54 -0.05 0.00 0.00 175.22 173.98 3fgr s SER 305 N -1.55 7.61 0.00 1.98 1.04 -1.14 -1.06 113.70 120.58 3fgr s SER 305 Ca -0.09 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3fgr s SER 305 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3fgr s SER 305 CO 0.04 0.14 0.00 -0.24 0.98 0.00 0.00 173.24 174.15 3fgr n SER 306 N 1.66 0.00 -3.85 7.02 2.88 0.34 -4.32 113.62 117.35 3fgr n SER 306 Ca -0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 3fgr n SER 306 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3fgr n SER 306 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3fgr s TYR 307 N -2.45 0.16 0.29 0.66 1.51 -1.25 -1.90 117.35 114.38 3fgr s TYR 307 Ca 0.00 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 3fgr s TYR 307 Cb 0.00 -0.02 -0.11 0.00 -0.11 0.00 0.00 41.96 41.72 3fgr s TYR 307 CO 0.00 -0.60 1.59 -2.14 -1.11 0.00 0.00 175.55 173.28 3fgr s PRO 308 N -3.88 4.12 -0.07 -1.71 0.02 -1.26 -2.68 135.00 129.55 3fgr s PRO 308 Ca 0.07 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3fgr s PRO 308 Cb 0.04 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3fgr s PRO 308 CO -0.09 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3fgr n GLY 309 N 2.15 0.43 3.16 0.52 0.00 -1.26 -4.98 105.19 105.22 3fgr n GLY 309 Ca 0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3fgr n GLY 309 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fgr s THR 310 N -1.82 2.64 -0.30 2.61 2.01 -1.09 -4.99 115.64 114.69 3fgr s THR 310 Ca 0.00 -1.21 0.03 0.00 0.31 0.00 0.00 61.69 60.81 3fgr s THR 310 Cb 0.00 -2.40 0.45 0.00 0.01 0.00 0.00 72.50 70.56 3fgr s THR 310 CO 0.00 0.13 1.61 2.30 -0.69 0.00 0.00 174.62 177.98 3fgr n ILE 311 N 4.60 2.47 -3.46 1.82 -5.35 -1.26 -4.56 119.36 113.62 3fgr n ILE 311 Ca -0.16 -1.28 -0.03 0.00 -0.27 0.00 0.00 62.75 61.01 3fgr n ILE 311 Cb 0.46 -0.64 -0.00 0.00 -1.74 0.00 0.00 39.64 37.71 3fgr n ILE 311 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 3fgr n PHE 312 N -0.59 -1.00 0.02 4.28 -1.74 -1.26 -5.05 117.46 112.12 3fgr n PHE 312 Ca 0.40 -0.54 -0.02 0.00 -0.56 0.00 0.00 57.45 56.72 3fgr n PHE 312 Cb 1.28 0.19 -0.01 0.00 1.52 0.00 0.00 39.48 42.46 3fgr n PHE 312 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3fgr h SER 313 N 0.51 -0.12 0.00 5.98 0.87 -1.87 -3.43 113.55 115.49 3fgr h SER 313 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3fgr h SER 313 Cb 0.31 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3fgr h SER 313 CO 0.10 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.24 3fgr n GLY 314 N 1.37 2.89 0.25 5.77 0.00 -1.26 -4.43 105.19 109.77 3fgr n GLY 314 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3fgr n GLY 314 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgr h ASP 315 N 0.00 -0.47 -3.44 1.61 3.32 -1.92 -3.49 116.42 112.04 3fgr h ASP 315 Ca 0.00 -0.09 -0.66 0.00 0.02 0.00 0.00 57.03 56.30 3fgr h ASP 315 Cb 0.00 0.12 -0.14 0.00 0.22 0.00 0.00 39.33 39.53 3fgr h ASP 315 CO 0.00 -0.17 -0.69 -1.81 -1.72 0.00 0.00 179.24 174.86 3fgr s ASP 316 N -4.86 4.82 -0.20 6.45 1.11 -1.26 -4.81 116.67 117.93 3fgr s ASP 316 Ca -0.15 -0.21 -0.07 0.00 0.18 0.00 0.00 52.55 52.30 3fgr s ASP 316 Cb 0.03 -1.10 0.09 0.00 1.07 0.00 0.00 42.92 43.01 3fgr s ASP 316 CO 0.56 0.20 0.42 0.12 1.18 0.00 0.00 175.17 177.65 3fgr s PHE 317 N -1.23 -0.80 -0.01 4.23 5.36 -1.26 -2.78 117.98 121.51 3fgr s PHE 317 Ca 0.23 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.75 3fgr s PHE 317 Cb -0.11 0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 3fgr s PHE 317 CO 0.15 -0.48 -0.07 0.71 -1.46 0.00 0.00 175.22 174.07 3fgr s TYR 318 N 2.59 0.67 -0.24 10.12 1.51 -0.19 -2.87 117.35 128.93 3fgr s TYR 318 Ca -0.02 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 3fgr s TYR 318 Cb -0.12 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3fgr s TYR 318 CO -0.13 -0.02 -0.02 0.42 -1.11 0.00 0.00 175.55 174.70 3fgr s ILE 319 N -0.15 3.40 0.01 2.71 1.01 0.08 -1.36 121.20 126.90 3fgr s ILE 319 Ca 0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3fgr s ILE 319 Cb -0.03 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3fgr s ILE 319 CO -0.00 0.31 0.10 -0.76 0.00 0.00 0.00 174.94 174.59 3fgr s LEU 320 N 1.46 3.98 0.06 2.97 1.43 -0.04 -1.47 118.68 127.06 3fgr s LEU 320 Ca 0.04 0.16 0.15 0.00 -1.03 0.00 0.00 54.13 53.45 3fgr s LEU 320 Cb -0.15 -2.38 0.64 0.00 0.03 0.00 0.00 46.19 44.33 3fgr s LEU 320 CO -0.02 0.25 1.47 0.61 0.23 0.00 0.00 176.35 178.89 3fgr n GLY 321 N 1.03 -1.00 0.00 -3.19 0.00 0.55 -1.43 105.19 101.15 3fgr n GLY 321 Ca -0.12 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3fgr n GLY 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fgr n SER 322 N -1.66 0.00 0.00 1.61 3.41 -1.22 -4.87 113.62 110.89 3fgr n SER 322 Ca 0.03 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 3fgr n SER 322 Cb 0.16 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3fgr n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgr n GLY 323 N 0.42 0.73 3.90 5.00 0.00 -0.51 -4.87 105.19 109.85 3fgr n GLY 323 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3fgr n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgr s LEU 324 N 0.00 4.28 -0.08 0.99 1.43 -1.22 -1.07 118.68 123.00 3fgr s LEU 324 Ca 0.00 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3fgr s LEU 324 Cb 0.00 -2.88 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 3fgr s LEU 324 CO 0.00 0.16 -0.23 -0.69 0.23 0.00 0.00 176.35 175.82 3fgr s VAL 325 N -1.52 1.95 -0.02 -1.59 1.01 0.28 -0.86 120.40 119.65 3fgr s VAL 325 Ca 0.34 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3fgr s VAL 325 Cb -0.13 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3fgr s VAL 325 CO 0.27 0.54 -0.21 0.42 0.00 0.00 0.00 175.10 176.12 3fgr s THR 326 N 0.19 1.65 0.15 3.92 -4.23 -0.46 -0.99 115.64 115.87 3fgr s THR 326 Ca -0.13 -0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 59.28 3fgr s THR 326 Cb -0.16 -1.38 0.06 0.00 1.34 0.00 0.00 72.50 72.36 3fgr s THR 326 CO 0.07 0.47 0.56 -1.48 -0.54 0.00 0.00 174.62 173.69 3fgr s LEU 327 N -0.40 -0.38 0.11 4.79 2.34 -0.81 -1.02 118.68 123.31 3fgr s LEU 327 Ca 0.06 -0.06 -0.12 0.00 0.06 0.00 0.00 54.13 54.07 3fgr s LEU 327 Cb -0.09 2.45 0.01 0.00 -0.56 0.00 0.00 46.19 48.01 3fgr s LEU 327 CO -0.00 -0.95 0.30 -1.83 -1.06 0.00 0.00 176.35 172.81 3fgr s GLU 328 N -3.76 0.98 0.10 1.48 4.04 -1.12 -0.48 118.70 119.95 3fgr s GLU 328 Ca 0.01 -0.87 0.09 0.00 0.04 0.00 0.00 54.97 54.24 3fgr s GLU 328 Cb -0.00 0.40 -0.03 0.00 0.02 0.00 0.00 34.13 34.52 3fgr s GLU 328 CO -0.13 -0.35 -0.23 0.95 -1.84 0.00 0.00 175.26 173.66 3fgr s THR 329 N -3.85 1.86 0.03 1.83 -4.23 -0.74 -3.99 115.64 106.56 3fgr s THR 329 Ca 0.05 -1.54 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 3fgr s THR 329 Cb 0.03 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 3fgr s THR 329 CO -0.10 0.03 0.87 -0.89 -0.54 0.00 0.00 174.62 173.99 3fgr s THR 330 N -1.07 4.77 -0.11 3.99 2.01 -1.26 -0.67 115.64 123.30 3fgr s THR 330 Ca 0.09 1.85 0.15 0.00 0.31 0.00 0.00 61.69 64.09 3fgr s THR 330 Cb -0.10 -4.22 -0.21 0.00 0.01 0.00 0.00 72.50 67.98 3fgr s THR 330 CO 0.04 0.27 0.16 2.30 -0.69 0.00 0.00 174.62 176.70 3fgr n ILE 331 N 3.32 0.69 -4.69 1.82 -5.35 0.72 -4.26 119.36 111.61 3fgr n ILE 331 Ca 0.02 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3fgr n ILE 331 Cb 0.50 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 3fgr n ILE 331 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fgr n GLY 332 N 1.88 -0.43 3.27 3.28 0.00 -0.42 -4.89 105.19 107.87 3fgr n GLY 332 Ca -0.17 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3fgr n GLY 332 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fgr s ASN 333 N -4.00 -0.48 0.00 1.61 2.47 -1.26 -4.84 114.94 108.44 3fgr s ASN 333 Ca 0.00 0.85 0.11 0.00 0.42 0.00 0.00 52.86 54.24 3fgr s ASN 333 Cb 0.00 0.77 0.19 0.00 -1.45 0.00 0.00 41.25 40.76 3fgr s ASN 333 CO 0.00 -0.18 1.05 0.29 -3.72 0.00 0.00 177.10 174.54 3fgr n LYS 334 N 3.90 1.66 -3.53 0.43 4.76 -0.22 -4.93 118.16 120.22 3fgr n LYS 334 Ca -0.21 -1.59 -0.42 0.00 -2.87 0.00 0.00 58.31 53.22 3fgr n LYS 334 Cb 0.56 -1.24 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 3fgr n LYS 334 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3fgr s ASN 335 N -0.97 5.80 0.54 4.39 2.47 -1.02 -4.78 114.94 121.37 3fgr s ASN 335 Ca 0.18 -1.46 0.36 0.00 0.42 0.00 0.00 52.86 52.36 3fgr s ASN 335 Cb 0.11 -2.05 1.75 0.00 -1.45 0.00 0.00 41.25 39.60 3fgr s ASN 335 CO 0.15 -0.58 2.08 1.55 -3.72 0.00 0.00 177.10 176.58 3fgr h PRO 336 N 8.52 0.00 0.00 0.43 0.13 -1.93 -1.59 132.00 137.56 3fgr h PRO 336 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3fgr h PRO 336 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3fgr h PRO 336 CO 0.80 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 3fgr n ALA 337 N -2.01 1.56 1.01 -0.56 0.00 -1.26 -2.40 120.51 116.84 3fgr n ALA 337 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3fgr n ALA 337 Cb 0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3fgr n ALA 337 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fgr n LEU 338 N -1.45 0.96 0.30 0.00 4.77 -0.60 -4.28 117.00 116.71 3fgr n LEU 338 Ca 0.03 -0.40 0.19 0.00 -0.03 0.00 0.00 56.01 55.80 3fgr n LEU 338 Cb 0.12 -0.06 0.94 0.00 -2.33 0.00 0.00 43.42 42.09 3fgr n LEU 338 CO 0.10 0.23 1.08 -0.50 -1.33 0.00 0.00 177.39 176.97 3fgr h TRP 339 N 0.19 0.00 0.00 -1.77 -0.00 -1.64 -1.18 115.95 111.55 3fgr h TRP 339 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3fgr h TRP 339 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 3fgr h TRP 339 CO 0.00 0.03 0.00 1.57 -0.00 0.00 0.00 178.44 180.04 3fgr h LYS 340 N 0.00 0.00 -0.00 0.49 2.10 -1.79 -1.31 116.57 116.05 3fgr h LYS 340 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fgr h LYS 340 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3fgr h LYS 340 CO 0.00 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 178.09 3fgr n TYR 341 N -3.03 0.00 -3.18 0.07 4.02 -0.44 -4.62 117.16 109.98 3fgr n TYR 341 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 3fgr n TYR 341 Cb 0.12 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.31 3fgr n TYR 341 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3fgr s VAL 342 N -2.15 4.91 0.06 -0.72 1.01 -0.50 -4.68 120.40 118.33 3fgr s VAL 342 Ca 0.40 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3fgr s VAL 342 Cb 0.21 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3fgr s VAL 342 CO 0.39 -0.58 -0.09 -1.10 0.00 0.00 0.00 175.10 173.72 3fgr s GLN 343 N 2.59 0.63 0.33 2.72 -1.52 -1.26 -5.06 119.66 118.10 3fgr s GLN 343 Ca 0.18 -0.86 0.17 0.00 -1.95 0.00 0.00 55.36 52.90 3fgr s GLN 343 Cb -0.16 -0.43 0.45 0.00 -0.22 0.00 0.00 33.01 32.65 3fgr s GLN 343 CO 0.16 0.08 1.62 -1.00 -0.25 0.00 0.00 175.29 175.90 3fgr h PRO 344 N 4.30 0.00 -5.41 2.91 0.13 -1.96 -3.37 132.00 128.60 3fgr h PRO 344 Ca -0.37 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.13 3fgr h PRO 344 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 3fgr h PRO 344 CO 0.43 0.45 -0.58 -0.65 -0.23 0.00 0.00 178.00 177.42 3fgr s GLN 345 N -3.37 3.76 0.00 0.86 1.11 -1.26 -4.40 119.66 116.37 3fgr s GLN 345 Ca 0.01 -0.36 0.00 0.00 0.01 0.00 0.00 55.36 55.03 3fgr s GLN 345 Cb 0.10 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 28.98 3fgr s GLN 345 CO 0.71 0.37 0.00 0.41 0.01 0.00 0.00 175.29 176.79 3fgr n GLY 346 N 3.21 0.81 2.89 3.09 0.00 -1.26 -5.06 105.19 108.87 3fgr n GLY 346 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3fgr n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgr s VAL 348 N 0.93 4.30 0.71 0.00 1.01 -0.29 -4.93 120.40 122.13 3fgr s VAL 348 Ca -0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3fgr s VAL 348 Cb -0.14 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3fgr s VAL 348 CO 0.00 0.51 1.26 -0.76 0.00 0.00 0.00 175.10 176.11 3fgr s LEU 349 N 0.06 3.41 0.29 3.92 1.43 -1.26 -3.91 118.68 122.63 3fgr s LEU 349 Ca 0.02 2.52 -0.00 0.00 -1.03 0.00 0.00 54.13 55.64 3fgr s LEU 349 Cb -0.13 -4.61 0.44 0.00 0.03 0.00 0.00 46.19 41.92 3fgr s LEU 349 CO 0.02 -2.24 1.85 -0.08 0.23 0.00 0.00 176.35 176.12 3fgr h GLU 350 N 0.01 0.81 -0.67 1.70 4.22 -1.94 -1.90 114.58 116.80 3fgr h GLU 350 Ca -0.49 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 58.78 3fgr h GLU 350 Cb 1.32 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3fgr h GLU 350 CO 0.51 0.71 0.35 0.11 -2.18 0.00 0.00 179.01 178.51 3fgr h TRP 351 N 0.78 0.92 -0.14 0.92 5.08 -1.92 0.28 115.95 121.88 3fgr h TRP 351 Ca 0.18 -0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.09 3fgr h TRP 351 Cb 0.26 -0.30 -0.00 0.00 -3.00 0.00 0.00 29.16 26.12 3fgr h TRP 351 CO 0.01 0.66 -0.06 0.82 -1.28 0.00 0.00 178.44 178.59 3fgr h ILE 352 N 0.94 1.31 -0.96 0.12 2.04 -1.71 -2.16 117.51 117.09 3fgr h ILE 352 Ca 0.24 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.10 3fgr h ILE 352 Cb 0.05 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3fgr h ILE 352 CO -0.04 0.31 0.62 0.03 0.00 0.00 0.00 178.15 179.08 3fgr h ARG 353 N -0.04 1.05 -0.16 2.37 3.08 -0.96 0.02 114.38 119.74 3fgr h ARG 353 Ca 0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3fgr h ARG 353 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3fgr h ARG 353 CO 0.02 0.69 0.08 -0.97 -1.07 0.00 0.00 179.97 178.72 3fgr h ASN 354 N 1.08 0.21 -0.47 7.04 -1.24 -0.89 0.20 115.58 121.51 3fgr h ASN 354 Ca 0.42 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 3fgr h ASN 354 Cb 0.23 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3fgr h ASN 354 CO -0.17 0.27 0.10 0.58 -1.29 0.00 0.00 177.43 176.92 3fgr h VAL 355 N 0.14 1.24 -0.28 2.57 2.07 -0.70 -0.62 116.25 120.67 3fgr h VAL 355 Ca 0.06 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3fgr h VAL 355 Cb 0.11 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3fgr h VAL 355 CO -0.01 0.30 0.05 0.58 0.02 0.00 0.00 177.57 178.52 3fgr h VAL 356 N 0.63 1.23 -0.67 2.57 2.07 -0.93 -1.47 116.25 119.68 3fgr h VAL 356 Ca 0.15 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3fgr h VAL 356 Cb 0.34 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3fgr h VAL 356 CO 0.00 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.26 3fgr h ALA 357 N 0.87 0.88 -0.27 1.67 0.00 -0.84 -1.50 119.26 120.06 3fgr h ALA 357 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3fgr h ALA 357 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fgr h ALA 357 CO 0.00 0.18 0.07 -0.91 0.00 0.00 0.00 179.25 178.59 3fgr h ASN 358 N 0.81 0.34 -0.03 0.00 2.35 -0.86 -1.59 115.58 116.60 3fgr h ASN 358 Ca 0.27 -0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.74 3fgr h ASN 358 Cb 0.03 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.33 3fgr h ASN 358 CO -0.11 0.35 -0.93 -0.09 -1.65 0.00 0.00 177.43 175.00 3fgr h ARG 359 N 0.38 0.69 0.00 0.81 2.43 -0.75 -3.37 114.38 114.57 3fgr h ARG 359 Ca 0.09 -0.70 -0.25 0.00 -0.81 0.00 0.00 59.98 58.31 3fgr h ARG 359 Cb 0.14 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3fgr h ARG 359 CO -0.00 1.29 -1.80 1.28 -1.51 0.00 0.00 179.97 179.23 3fgr n LEU 360 N -3.92 0.61 -4.76 3.80 4.77 -0.61 -0.57 117.00 116.31 3fgr n LEU 360 Ca -0.10 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.75 3fgr n LEU 360 Cb 0.83 0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 42.11 3fgr n LEU 360 CO 0.54 0.31 1.12 0.00 -1.33 0.00 0.00 177.39 178.04 3fgr s ALA 361 N -2.73 3.61 -0.09 -1.18 0.00 -0.62 -4.52 121.76 116.24 3fgr s ALA 361 Ca -0.06 1.44 0.21 0.00 0.00 0.00 0.00 51.96 53.56 3fgr s ALA 361 Cb 0.08 -3.58 -0.32 0.00 0.00 0.00 0.00 23.12 19.30 3fgr s ALA 361 CO 0.83 -0.87 0.49 1.28 0.00 0.00 0.00 175.76 177.49 3fgr n LEU 362 N 1.43 0.06 -3.83 0.00 7.99 -1.26 -4.59 117.00 116.79 3fgr n LEU 362 Ca 0.04 -0.03 -0.08 0.00 -0.01 0.00 0.00 56.01 55.93 3fgr n LEU 362 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 3fgr n LEU 362 CO 0.62 0.02 0.50 1.51 -1.51 0.00 0.00 177.39 178.52 3fgr s ASP 363 N -4.35 -0.11 0.16 -1.43 3.84 -1.26 -4.95 116.67 108.57 3fgr s ASP 363 Ca -0.07 -0.91 -0.13 0.00 -0.00 0.00 0.00 52.55 51.44 3fgr s ASP 363 Cb 0.14 0.80 0.05 0.00 -1.38 0.00 0.00 42.92 42.52 3fgr s ASP 363 CO 0.88 -1.54 1.71 1.23 -0.00 0.00 0.00 175.17 177.45 3fgr h GLY 364 N 2.00 0.85 0.97 2.12 0.00 -1.90 -1.49 103.07 105.63 3fgr h GLY 364 Ca -0.26 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.61 3fgr h GLY 364 CO 0.33 0.44 0.30 0.00 0.00 0.00 0.00 176.54 177.61 3fgr h ALA 365 N 1.05 0.59 -0.53 3.60 0.00 -1.97 -1.67 119.26 120.34 3fgr h ALA 365 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3fgr h ALA 365 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fgr h ALA 365 CO -0.01 0.01 0.03 1.15 0.00 0.00 0.00 179.25 180.44 3fgr h THR 366 N 0.61 1.26 -0.46 0.00 2.02 -1.94 -1.22 112.91 113.17 3fgr h THR 366 Ca 0.18 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.38 3fgr h THR 366 Cb -0.04 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 3fgr h THR 366 CO -0.05 0.37 0.15 -0.25 0.37 0.00 0.00 175.52 176.10 3fgr h TRP 367 N 0.78 0.25 -0.52 3.16 7.01 -0.94 -1.22 115.95 124.47 3fgr h TRP 367 Ca 0.15 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 3fgr h TRP 367 Cb 0.48 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 3fgr h TRP 367 CO 0.04 0.07 0.10 0.00 -2.79 0.00 0.00 178.44 175.85 3fgr h ALA 368 N 1.32 0.69 -0.72 2.65 0.00 -1.04 -0.01 119.26 122.16 3fgr h ALA 368 Ca 0.22 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fgr h ALA 368 Cb 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3fgr h ALA 368 CO -0.24 0.42 0.46 -0.44 0.00 0.00 0.00 179.25 179.44 3fgr h ASP 369 N 0.74 0.77 -0.12 0.00 3.32 -0.85 -1.31 116.42 118.97 3fgr h ASP 369 Ca 0.16 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3fgr h ASP 369 Cb 0.39 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fgr h ASP 369 CO 0.01 0.54 -0.33 0.58 -1.72 0.00 0.00 179.24 178.32 3fgr h VAL 370 N 0.92 1.38 -0.29 -1.35 2.07 -0.94 -3.32 116.25 114.72 3fgr h VAL 370 Ca 0.28 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3fgr h VAL 370 Cb -0.03 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3fgr h VAL 370 CO -0.09 0.48 -0.12 0.15 0.02 0.00 0.00 177.57 178.02 3fgr h PHE 371 N 0.01 0.53 -0.00 1.57 3.57 -0.75 -2.77 116.94 119.10 3fgr h PHE 371 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3fgr h PHE 371 Cb 0.95 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3fgr h PHE 371 CO 0.11 0.60 -0.01 0.36 -2.23 0.00 0.00 178.31 177.13 3fgr n LYS 372 N -4.21 0.16 -2.06 1.11 2.85 -0.52 -4.76 118.16 110.72 3fgr n LYS 372 Ca 0.01 -0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 3fgr n LYS 372 Cb 0.32 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 3fgr n LYS 372 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3fgr s ARG 373 N -2.85 4.29 -1.43 -1.58 0.52 -1.05 -3.15 118.95 113.71 3fgr s ARG 373 Ca 0.19 2.26 -0.08 0.00 -0.52 0.00 0.00 55.73 57.59 3fgr s ARG 373 Cb 0.19 -3.03 0.04 0.00 0.52 0.00 0.00 34.95 32.68 3fgr s ARG 373 CO 0.51 -0.26 0.88 1.19 0.02 0.00 0.00 175.30 177.63 3fgr n PHE 374 N 0.69 -2.17 -1.68 -0.53 3.01 -1.26 -4.76 117.46 110.76 3fgr n PHE 374 Ca 0.00 0.89 -0.47 0.00 1.01 0.00 0.00 57.45 58.88 3fgr n PHE 374 Cb 0.42 -4.23 -0.04 0.00 -0.01 0.00 0.00 39.48 35.61 3fgr n PHE 374 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3fgr n ASN 375 N -2.94 3.51 0.17 4.37 5.15 -1.19 -1.14 115.26 123.20 3fgr n ASN 375 Ca -0.11 0.98 0.12 0.00 -0.60 0.00 0.00 54.58 54.98 3fgr n ASN 375 Cb 0.59 -1.41 0.25 0.00 -0.53 0.00 0.00 39.78 38.69 3fgr n ASN 375 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3fgr h SER 376 N 8.87 0.00 -0.86 1.20 4.64 -1.88 -3.45 113.55 122.07 3fgr h SER 376 Ca -0.48 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 60.57 3fgr h SER 376 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 3fgr h SER 376 CO 0.94 0.00 -0.26 0.61 -0.87 0.00 0.00 176.83 177.25 3fgr n GLY 377 N 1.19 1.08 3.27 -0.77 0.00 -1.26 -4.40 105.19 104.29 3fgr n GLY 377 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 3fgr n GLY 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgr s THR 378 N -2.52 1.57 -1.08 2.61 -4.23 -1.26 -4.37 115.64 106.37 3fgr s THR 378 Ca 0.00 -1.57 -0.19 0.00 -1.18 0.00 0.00 61.69 58.75 3fgr s THR 378 Cb 0.00 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.34 3fgr s THR 378 CO 0.00 -0.17 0.75 0.00 -0.54 0.00 0.00 174.62 174.66 3fgr n TYR 379 N 0.94 -1.93 -2.37 3.99 -0.00 -1.26 -4.43 117.16 112.10 3fgr n TYR 379 Ca -0.18 0.49 -0.43 0.00 -0.00 0.00 0.00 57.90 57.78 3fgr n TYR 379 Cb 0.55 -3.30 -0.02 0.00 -0.00 0.00 0.00 39.34 36.57 3fgr n TYR 379 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3fgr s ASN 380 N -3.37 6.41 0.24 2.98 0.01 -1.26 -4.98 114.94 114.96 3fgr s ASN 380 Ca 0.38 0.88 0.07 0.00 -0.71 0.00 0.00 52.86 53.49 3fgr s ASN 380 Cb -0.15 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.92 3fgr s ASN 380 CO 0.88 -1.36 -0.11 0.20 -1.51 0.00 0.00 177.10 175.19 3fgr s ASN 381 N 3.67 2.66 -0.34 -1.22 0.01 -1.24 -0.20 114.94 118.28 3fgr s ASN 381 Ca 0.60 -1.09 -0.14 0.00 -0.71 0.00 0.00 52.86 51.52 3fgr s ASN 381 Cb -0.14 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.36 3fgr s ASN 381 CO 0.31 -0.24 0.28 -1.58 -1.51 0.00 0.00 177.10 174.36 3fgr s GLN 382 N -3.68 3.50 -0.07 -0.60 0.74 0.15 -1.94 119.66 117.75 3fgr s GLN 382 Ca 0.26 -0.60 -0.11 0.00 0.05 0.00 0.00 55.36 54.96 3fgr s GLN 382 Cb 0.01 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.26 3fgr s GLN 382 CO 0.09 -0.48 0.28 -1.58 -0.55 0.00 0.00 175.29 173.06 3fgr s TRP 383 N 1.80 3.64 -0.14 1.67 0.52 0.13 -1.79 118.94 124.77 3fgr s TRP 383 Ca 0.08 0.75 -0.01 0.00 0.02 0.00 0.00 56.10 56.94 3fgr s TRP 383 Cb -0.17 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 3fgr s TRP 383 CO 0.11 0.62 -0.12 -1.64 0.02 0.00 0.00 176.95 175.94 3fgr s MET 384 N -0.82 3.40 -0.20 4.98 -1.94 0.37 -1.47 119.30 123.62 3fgr s MET 384 Ca 0.19 -0.67 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 3fgr s MET 384 Cb -0.14 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.06 3fgr s MET 384 CO 0.08 0.20 -0.17 0.42 -0.01 0.00 0.00 175.02 175.53 3fgr s ILE 385 N 0.40 2.09 -0.22 2.53 1.09 -0.08 -1.92 121.20 125.08 3fgr s ILE 385 Ca -0.10 -1.13 -0.09 0.00 -1.10 0.00 0.00 60.65 58.24 3fgr s ILE 385 Cb -0.16 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 3fgr s ILE 385 CO 0.05 0.38 0.10 -0.69 -0.10 0.00 0.00 174.94 174.69 3fgr s VAL 386 N 1.24 4.92 -0.46 2.92 1.01 -0.16 -1.28 120.40 128.59 3fgr s VAL 386 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3fgr s VAL 386 Cb -0.15 -3.27 0.12 0.00 0.00 0.00 0.00 36.38 33.08 3fgr s VAL 386 CO -0.11 0.39 0.31 -0.62 0.00 0.00 0.00 175.10 175.07 3fgr s ASP 387 N 0.91 5.61 0.47 3.32 3.68 0.11 -0.55 116.67 130.21 3fgr s ASP 387 Ca 0.05 -1.92 0.32 0.00 2.13 0.00 0.00 52.55 53.14 3fgr s ASP 387 Cb -0.13 -1.97 1.42 0.00 -1.45 0.00 0.00 42.92 40.79 3fgr s ASP 387 CO 0.03 -0.66 1.95 1.88 0.13 0.00 0.00 175.17 178.50 3fgr h TYR 388 N 8.37 0.00 0.00 -5.34 0.99 -1.40 -1.94 116.97 117.64 3fgr h TYR 388 Ca -0.20 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 3fgr h TYR 388 Cb 1.07 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.80 3fgr h TYR 388 CO 0.62 0.00 -0.07 0.87 -0.00 0.00 0.00 178.16 179.58 3fgr h LYS 389 N 0.00 0.00 -0.02 4.88 1.57 -1.90 -1.79 116.57 119.32 3fgr h LYS 389 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fgr h LYS 389 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3fgr h LYS 389 CO 0.00 0.07 -0.23 0.00 -0.57 0.00 0.00 179.45 178.73 3fgr n ALA 390 N -2.26 3.02 -2.62 3.86 0.00 -0.73 -4.88 120.51 116.90 3fgr n ALA 390 Ca -0.02 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 3fgr n ALA 390 Cb 0.19 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 3fgr n ALA 390 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3fgr s PHE 391 N -2.31 3.27 -0.32 0.00 5.36 -0.67 -4.79 117.98 118.52 3fgr s PHE 391 Ca 0.26 0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 56.68 3fgr s PHE 391 Cb 0.19 -2.63 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3fgr s PHE 391 CO 0.46 -0.23 0.11 -1.17 -1.46 0.00 0.00 175.22 172.93 3fgr s LEU 392 N 2.08 4.08 0.20 6.12 2.96 -1.26 -5.00 118.68 127.86 3fgr s LEU 392 Ca 0.18 -0.83 -0.32 0.00 -0.22 0.00 0.00 54.13 52.93 3fgr s LEU 392 Cb -0.16 -1.90 -0.14 0.00 0.50 0.00 0.00 46.19 44.49 3fgr s LEU 392 CO 0.09 -0.25 1.41 -2.65 -1.32 0.00 0.00 176.35 173.64 3fgr n PRO 393 N 4.88 1.87 -0.34 0.98 -0.02 -1.26 -0.86 135.00 140.25 3fgr n PRO 393 Ca -0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3fgr n PRO 393 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3fgr n PRO 393 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fgr n ASN 394 N 2.46 0.00 -4.87 2.55 3.02 0.84 -4.98 115.26 114.28 3fgr n ASN 394 Ca 0.14 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 3fgr n ASN 394 Cb 0.29 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.11 3fgr n ASN 394 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fgr s GLY 395 N -2.00 1.64 0.92 7.41 0.00 -0.04 -4.86 107.32 110.39 3fgr s GLY 395 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 3fgr s GLY 395 CO 0.00 0.10 1.22 2.56 0.00 0.00 0.00 173.10 176.98 3fgr s PRO 396 N -5.28 1.01 0.17 2.90 0.04 -1.26 -4.82 135.00 127.75 3fgr s PRO 396 Ca 0.58 -0.08 -0.33 0.00 0.04 0.00 0.00 61.00 61.20 3fgr s PRO 396 Cb -0.11 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 3fgr s PRO 396 CO 0.53 -2.22 1.57 0.45 0.04 0.00 0.00 177.00 177.36 3fgr n SER 397 N -3.71 3.11 -0.12 6.66 2.88 -1.26 -4.87 113.62 116.31 3fgr n SER 397 Ca 0.11 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 58.89 3fgr n SER 397 Cb 0.60 -1.43 0.70 0.00 -0.75 0.00 0.00 64.21 63.33 3fgr n SER 397 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3fgr n PRO 398 N 3.28 0.87 0.00 -1.46 -0.04 -1.26 -4.94 135.00 131.45 3fgr n PRO 398 Ca 0.16 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3fgr n PRO 398 Cb 0.29 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3fgr n PRO 398 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgr n GLY 399 N 1.19 2.94 3.71 0.55 0.00 -1.26 -4.92 105.19 107.40 3fgr n GLY 399 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3fgr n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fgr s SER 400 N -0.56 -0.22 0.00 1.61 1.04 -1.26 -4.27 113.70 110.05 3fgr s SER 400 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3fgr s SER 400 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3fgr s SER 400 CO 0.00 -1.22 0.00 0.54 0.98 0.00 0.00 173.24 173.54 3fgr n ARG 401 N -0.41 0.00 -0.06 4.02 1.74 -1.26 -4.81 116.66 115.87 3fgr n ARG 401 Ca -0.05 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.90 3fgr n ARG 401 Cb 0.61 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.46 31.33 3fgr n ARG 401 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fgr h VAL 402 N 0.00 1.34 -3.32 1.55 2.07 -1.87 -3.37 116.25 112.65 3fgr h VAL 402 Ca 0.00 -1.44 -0.48 0.00 0.82 0.00 0.00 66.70 65.59 3fgr h VAL 402 Cb 0.00 1.84 -0.35 0.00 -1.52 0.00 0.00 31.29 31.26 3fgr h VAL 402 CO 0.00 0.44 -0.79 -0.22 0.02 0.00 0.00 177.57 177.01 3fgr s LEU 403 N -8.97 1.27 -0.04 2.57 2.96 -1.26 -0.72 118.68 114.49 3fgr s LEU 403 Ca -0.13 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 3fgr s LEU 403 Cb 0.06 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 3fgr s LEU 403 CO 0.79 -0.07 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.63 3fgr s THR 404 N 1.26 2.32 -0.07 3.68 2.01 -0.41 -0.19 115.64 124.24 3fgr s THR 404 Ca -0.04 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.01 3fgr s THR 404 Cb -0.14 -1.84 -0.00 0.00 0.01 0.00 0.00 72.50 70.52 3fgr s THR 404 CO -0.02 0.58 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 3fgr s ILE 405 N -0.48 1.89 -0.05 1.82 -1.09 -0.03 -0.91 121.20 122.35 3fgr s ILE 405 Ca 0.06 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 3fgr s ILE 405 Cb -0.11 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3fgr s ILE 405 CO 0.01 0.53 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.90 3fgr s LEU 406 N 0.14 1.75 -0.05 2.97 0.20 -0.54 -0.94 118.68 122.20 3fgr s LEU 406 Ca -0.11 -0.29 0.05 0.00 0.69 0.00 0.00 54.13 54.47 3fgr s LEU 406 Cb -0.15 -0.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.80 3fgr s LEU 406 CO 0.06 0.07 -0.19 -1.61 -0.29 0.00 0.00 176.35 174.39 3fgr s GLU 407 N 0.38 2.02 -0.09 1.98 2.02 0.15 0.19 118.70 125.36 3fgr s GLU 407 Ca -0.09 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3fgr s GLU 407 Cb -0.13 -1.73 -0.00 0.00 0.10 0.00 0.00 34.13 32.37 3fgr s GLU 407 CO 0.03 0.27 -0.23 -1.14 0.02 0.00 0.00 175.26 174.21 3fgr s GLN 408 N 0.01 2.81 0.34 1.61 0.74 -0.82 -1.25 119.66 123.10 3fgr s GLN 408 Ca -0.05 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.56 3fgr s GLN 408 Cb -0.12 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 3fgr s GLN 408 CO 0.03 0.21 0.13 0.96 -0.55 0.00 0.00 175.29 176.07 3fgr s ILE 409 N 0.25 0.59 0.23 -2.34 -4.36 -0.46 -3.63 121.20 111.48 3fgr s ILE 409 Ca -0.15 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 57.93 3fgr s ILE 409 Cb -0.17 -2.52 -0.11 0.00 1.25 0.00 0.00 42.46 40.90 3fgr s ILE 409 CO 0.07 0.00 1.66 -2.84 0.24 0.00 0.00 174.94 174.07 3fgr s PRO 410 N -3.82 4.14 0.00 0.37 0.02 -1.26 -2.06 135.00 132.39 3fgr s PRO 410 Ca 0.32 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3fgr s PRO 410 Cb 0.05 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3fgr s PRO 410 CO 0.16 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3fgr n GLY 411 N 3.37 1.18 3.28 0.52 0.00 -1.26 -4.95 105.19 107.33 3fgr n GLY 411 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3fgr n GLY 411 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fgr s MET 412 N -0.08 0.41 -0.04 1.61 -2.45 -0.88 -5.13 119.30 112.73 3fgr s MET 412 Ca 0.00 0.77 0.02 0.00 -1.25 0.00 0.00 55.69 55.23 3fgr s MET 412 Cb 0.00 0.01 0.02 0.00 1.25 0.00 0.00 34.83 36.10 3fgr s MET 412 CO 0.00 -0.15 -0.07 0.08 1.05 0.00 0.00 175.02 175.93 3fgr s VAL 413 N 1.27 0.72 -0.04 10.11 1.01 -1.26 -1.35 120.40 130.85 3fgr s VAL 413 Ca -0.08 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3fgr s VAL 413 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3fgr s VAL 413 CO -0.11 0.26 -0.24 -0.69 0.00 0.00 0.00 175.10 174.32 3fgr s VAL 414 N 0.65 1.91 -0.01 2.92 1.01 -0.38 -4.98 120.40 121.53 3fgr s VAL 414 Ca -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3fgr s VAL 414 Cb -0.13 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3fgr s VAL 414 CO 0.01 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3fgr s VAL 415 N -0.29 0.73 -0.06 2.92 1.01 -1.26 -0.67 120.40 122.78 3fgr s VAL 415 Ca 0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3fgr s VAL 415 Cb -0.12 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3fgr s VAL 415 CO 0.02 0.20 0.39 0.00 0.00 0.00 0.00 175.10 175.71 3fgr s ALA 416 N -0.23 -0.98 -0.16 5.51 0.00 -0.12 -5.00 121.76 120.78 3fgr s ALA 416 Ca 0.04 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.40 3fgr s ALA 416 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3fgr s ALA 416 CO -0.00 -0.26 0.93 0.34 0.00 0.00 0.00 175.76 176.76 3fgr s ASP 417 N -0.90 7.07 -0.20 0.00 -1.08 -1.26 -0.85 116.67 119.44 3fgr s ASP 417 Ca -0.10 1.32 0.15 0.00 -0.52 0.00 0.00 52.55 53.40 3fgr s ASP 417 Cb -0.04 -2.50 0.48 0.00 -1.46 0.00 0.00 42.92 39.40 3fgr s ASP 417 CO 0.04 -0.47 1.39 0.29 0.52 0.00 0.00 175.17 176.94 3fgr n LYS 418 N 5.39 2.31 -0.17 4.34 4.76 0.74 -4.70 118.16 130.83 3fgr n LYS 418 Ca 0.07 -2.91 -0.06 0.00 -2.87 0.00 0.00 58.31 52.54 3fgr n LYS 418 Cb 0.48 -1.78 0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3fgr n LYS 418 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3fgr h THR 419 N 1.25 1.06 -0.76 -0.18 2.02 -1.83 -0.63 112.91 113.84 3fgr h THR 419 Ca 0.07 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3fgr h THR 419 Cb 1.43 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3fgr h THR 419 CO 0.23 0.11 0.36 0.00 0.37 0.00 0.00 175.52 176.59 3fgr h ALA 420 N 1.22 0.99 -0.61 6.16 0.00 -1.84 -0.92 119.26 124.26 3fgr h ALA 420 Ca 0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3fgr h ALA 420 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3fgr h ALA 420 CO -0.08 0.56 0.01 1.49 0.00 0.00 0.00 179.25 181.23 3fgr h GLU 421 N 1.08 1.06 -0.46 0.00 4.57 -1.82 0.97 114.58 119.99 3fgr h GLU 421 Ca 0.26 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3fgr h GLU 421 Cb 0.13 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3fgr h GLU 421 CO -0.03 1.03 0.22 1.25 -1.18 0.00 0.00 179.01 180.30 3fgr h LEU 422 N 0.97 0.60 -1.00 1.64 5.85 -0.70 -1.03 115.31 121.64 3fgr h LEU 422 Ca 0.17 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3fgr h LEU 422 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3fgr h LEU 422 CO 0.03 0.55 -0.50 1.88 -0.34 0.00 0.00 178.44 180.06 3fgr h TYR 423 N 0.60 0.00 -0.08 1.25 0.05 -0.83 0.23 116.97 118.18 3fgr h TYR 423 Ca 0.16 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 3fgr h TYR 423 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3fgr h TYR 423 CO -0.01 0.50 -0.22 -0.22 -1.05 0.00 0.00 178.16 177.16 3fgr h LYS 424 N 0.00 0.29 0.00 4.88 3.64 -0.54 -3.33 116.57 121.52 3fgr h LYS 424 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3fgr h LYS 424 Cb 0.89 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3fgr h LYS 424 CO 0.06 0.82 -1.22 0.25 -2.27 0.00 0.00 179.45 177.09 3fgr n THR 425 N -4.52 0.41 -0.97 1.00 -2.24 -0.42 -4.97 114.28 102.57 3fgr n THR 425 Ca -0.08 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3fgr n THR 425 Cb 0.43 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3fgr n THR 425 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3fgr n THR 426 N -2.47 0.00 -3.74 4.28 -2.24 0.80 -5.02 114.28 105.89 3fgr n THR 426 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3fgr n THR 426 Cb 0.54 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 3fgr n THR 426 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fgr s TYR 427 N -2.59 -0.11 -0.09 4.78 1.13 -1.21 -1.26 117.35 118.01 3fgr s TYR 427 Ca 0.00 -0.24 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 3fgr s TYR 427 Cb 0.00 0.38 0.03 0.00 -1.10 0.00 0.00 41.96 41.27 3fgr s TYR 427 CO 0.00 -0.91 0.02 -0.46 -2.51 0.00 0.00 175.55 171.69 3fgr s TRP 428 N -3.87 0.65 0.10 -3.49 -0.11 0.06 -4.66 118.94 107.62 3fgr s TRP 428 Ca 0.09 -0.24 0.05 0.00 1.22 0.00 0.00 56.10 57.22 3fgr s TRP 428 Cb -0.01 -0.80 -0.04 0.00 -1.50 0.00 0.00 33.47 31.12 3fgr s TRP 428 CO -0.03 -0.37 0.00 0.00 -4.62 0.00 0.00 176.95 171.94 3fgr s ALA 429 N 1.98 3.29 0.01 5.86 0.00 -1.26 -0.72 121.76 130.92 3fgr s ALA 429 Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3fgr s ALA 429 Cb -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 3fgr s ALA 429 CO -0.06 0.67 -0.05 0.45 0.00 0.00 0.00 175.76 176.77 3fgr s SER 430 N -2.39 0.62 -0.37 0.00 0.15 -0.18 -4.99 113.70 106.54 3fgr s SER 430 Ca 0.26 -0.20 0.08 0.00 0.70 0.00 0.00 55.95 56.79 3fgr s SER 430 Cb -0.11 -0.04 0.34 0.00 -1.71 0.00 0.00 66.02 64.50 3fgr s SER 430 CO 0.18 -0.01 1.33 0.00 1.20 0.00 0.00 173.24 175.94 3fgr n TYR 431 N 2.60 -2.07 -1.28 3.44 4.11 -1.26 -1.21 117.16 121.48 3fgr n TYR 431 Ca -0.15 -1.68 -0.10 0.00 -0.00 0.00 0.00 57.90 55.97 3fgr n TYR 431 Cb 0.57 1.52 -0.04 0.00 -0.00 0.00 0.00 39.34 41.39 3fgr n TYR 431 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3fgr n ASN 432 N -0.72 -4.59 -4.00 9.48 5.03 -1.26 -5.00 115.26 114.20 3fgr n ASN 432 Ca -0.09 0.24 -0.23 0.00 0.87 0.00 0.00 54.58 55.37 3fgr n ASN 432 Cb 0.82 -2.94 -0.16 0.00 -1.02 0.00 0.00 39.78 36.47 3fgr n ASN 432 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3fgr s ILE 433 N -2.22 0.97 0.31 2.41 1.01 -1.26 -4.49 121.20 117.93 3fgr s ILE 433 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3fgr s ILE 433 Cb 0.00 -0.89 -0.10 0.00 0.01 0.00 0.00 42.46 41.48 3fgr s ILE 433 CO 0.00 0.31 1.27 -2.16 0.00 0.00 0.00 174.94 174.36 3fgr s PRO 434 N 0.58 4.41 0.06 2.79 0.04 -1.26 -4.94 135.00 136.69 3fgr s PRO 434 Ca -0.11 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 3fgr s PRO 434 Cb -0.14 -3.11 -0.25 0.00 0.04 0.00 0.00 34.50 31.04 3fgr s PRO 434 CO 0.02 -0.13 1.15 -0.92 0.04 0.00 0.00 177.00 177.17 3fgr h TYR 435 N 3.72 1.02 -2.96 0.56 5.03 -1.99 -3.43 116.97 118.92 3fgr h TYR 435 Ca -0.48 -0.59 -0.55 0.00 2.58 0.00 0.00 58.73 59.70 3fgr h TYR 435 Cb 1.22 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.39 3fgr h TYR 435 CO 0.57 1.43 0.80 -0.06 -1.32 0.00 0.00 178.16 179.58 3fgr s PHE 436 N -3.19 2.94 0.33 -3.82 0.40 -1.26 -4.91 117.98 108.46 3fgr s PHE 436 Ca -0.10 0.94 0.01 0.00 -0.60 0.00 0.00 56.93 57.19 3fgr s PHE 436 Cb 0.06 -3.58 0.58 0.00 0.51 0.00 0.00 43.02 40.59 3fgr s PHE 436 CO 0.92 -2.07 1.96 0.93 0.70 0.00 0.00 175.22 177.67 3fgr h GLU 437 N 7.78 0.93 -0.51 0.44 5.08 -1.99 -0.60 114.58 125.70 3fgr h GLU 437 Ca -0.36 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3fgr h GLU 437 Cb 1.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3fgr h GLU 437 CO 0.90 0.61 0.22 1.79 -1.00 0.00 0.00 179.01 181.54 3fgr h THR 438 N 0.95 1.18 -0.01 1.13 1.35 -1.99 -0.65 112.91 114.87 3fgr h THR 438 Ca 0.31 -0.54 -0.14 0.00 -0.55 0.00 0.00 66.41 65.49 3fgr h THR 438 Cb 0.04 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 67.02 3fgr h THR 438 CO -0.09 0.22 -0.53 0.58 -0.25 0.00 0.00 175.52 175.45 3fgr h VAL 439 N 0.73 1.44 -0.45 6.82 2.07 -1.72 -1.24 116.25 123.91 3fgr h VAL 439 Ca 0.18 -2.03 0.08 0.00 0.82 0.00 0.00 66.70 65.75 3fgr h VAL 439 Cb 0.12 2.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 3fgr h VAL 439 CO -0.02 0.59 0.02 0.15 0.02 0.00 0.00 177.57 178.32 3fgr h PHE 440 N -0.16 0.01 -0.25 1.57 3.04 -0.99 -0.96 116.94 119.19 3fgr h PHE 440 Ca -0.06 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 3fgr h PHE 440 Cb 1.24 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.81 3fgr h PHE 440 CO 0.15 -0.08 -0.20 -0.91 -2.02 0.00 0.00 178.31 175.25 3fgr h ASN 441 N 0.13 0.62 0.35 0.41 4.21 -1.14 -2.76 115.58 117.40 3fgr h ASN 441 Ca 0.22 -0.45 -0.06 0.00 1.21 0.00 0.00 56.30 57.22 3fgr h ASN 441 Cb 0.32 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 3fgr h ASN 441 CO -0.35 0.94 -0.26 0.00 -1.29 0.00 0.00 177.43 176.46 3fgr h ALA 442 N 0.70 1.42 -0.28 -0.83 0.00 -0.96 -2.76 119.26 116.55 3fgr h ALA 442 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fgr h ALA 442 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fgr h ALA 442 CO 0.05 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 3fgr n SER 443 N -4.01 2.15 0.00 0.00 3.41 -0.39 -4.66 113.62 110.11 3fgr n SER 443 Ca -0.02 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3fgr n SER 443 Cb 0.33 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3fgr n SER 443 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgr n GLY 444 N 1.21 0.73 0.20 5.00 0.00 -1.04 -1.06 105.19 110.24 3fgr n GLY 444 Ca 0.16 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3fgr n GLY 444 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fgr h LEU 445 N 0.00 0.00 -1.22 0.99 3.38 -1.71 -3.14 115.31 113.62 3fgr h LEU 445 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fgr h LEU 445 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3fgr h LEU 445 CO 0.00 0.23 0.46 1.56 0.09 0.00 0.00 178.44 180.78 3fgr h GLN 446 N 0.00 0.99 -0.30 1.13 1.08 -1.86 -0.93 115.11 115.21 3fgr h GLN 446 Ca -0.00 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 3fgr h GLN 446 Cb 0.99 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 3fgr h GLN 446 CO 0.03 0.68 -0.20 0.00 -0.95 0.00 0.00 178.83 178.38 3fgr h ALA 447 N 1.50 1.08 -0.23 3.87 0.00 -1.95 -0.28 119.26 123.25 3fgr h ALA 447 Ca 0.27 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3fgr h ALA 447 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fgr h ALA 447 CO -0.05 0.56 -0.46 -0.07 0.00 0.00 0.00 179.25 179.23 3fgr h LEU 448 N 0.51 0.81 -0.65 0.00 3.38 -1.45 -1.01 115.31 116.90 3fgr h LEU 448 Ca 0.08 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3fgr h LEU 448 Cb 0.64 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3fgr h LEU 448 CO 0.05 1.20 0.40 0.58 0.09 0.00 0.00 178.44 180.76 3fgr h VAL 449 N 0.44 1.08 -0.83 1.22 2.07 -0.98 0.10 116.25 119.36 3fgr h VAL 449 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3fgr h VAL 449 Cb 1.07 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3fgr h VAL 449 CO 0.10 0.14 0.45 0.00 0.02 0.00 0.00 177.57 178.29 3fgr h ALA 450 N 1.28 1.24 0.17 1.67 0.00 -0.83 0.90 119.26 123.69 3fgr h ALA 450 Ca 0.26 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3fgr h ALA 450 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.51 3fgr h ALA 450 CO -0.11 0.62 -1.09 0.37 0.00 0.00 0.00 179.25 179.05 3fgr h GLN 451 N 1.16 0.36 0.00 0.00 4.15 -0.91 -3.41 115.11 116.46 3fgr h GLN 451 Ca 0.29 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3fgr h GLN 451 Cb 0.03 0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3fgr h GLN 451 CO -0.05 1.30 -0.13 0.66 -1.93 0.00 0.00 178.83 178.68 3fgr n TYR 452 N -3.98 0.00 -1.36 3.99 4.02 0.33 -5.10 117.16 115.05 3fgr n TYR 452 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3fgr n TYR 452 Cb 0.91 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 3fgr n TYR 452 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fgr n GLY 453 N 1.19 -0.92 0.21 2.72 0.00 0.31 -4.55 105.19 104.15 3fgr n GLY 453 Ca 0.00 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.50 3fgr n GLY 453 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgr h ASP 454 N 1.45 0.00 -0.12 1.61 3.32 -1.89 -2.52 116.42 118.27 3fgr h ASP 454 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3fgr h ASP 454 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fgr h ASP 454 CO 0.00 0.00 0.10 -0.25 -1.72 0.00 0.00 179.24 177.37 3fgr h TRP 455 N 0.00 0.00 -0.13 4.55 7.01 -1.84 -1.45 115.95 124.10 3fgr h TRP 455 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3fgr h TRP 455 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3fgr h TRP 455 CO 0.00 0.00 0.00 1.19 -2.79 0.00 0.00 178.44 176.84 3fgr n PHE 456 N -4.13 0.13 -2.92 2.65 3.01 -0.95 -4.68 117.46 110.57 3fgr n PHE 456 Ca -0.00 -0.07 -0.36 0.00 1.01 0.00 0.00 57.45 58.03 3fgr n PHE 456 Cb 0.22 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 3fgr n PHE 456 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fgr s SER 457 N -1.76 7.15 0.17 4.37 1.04 -0.60 -4.79 113.70 119.28 3fgr s SER 457 Ca 0.29 1.63 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 3fgr s SER 457 Cb 0.20 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.87 3fgr s SER 457 CO 0.29 -0.08 1.65 0.22 0.98 0.00 0.00 173.24 176.30 3fgr h TYR 458 N 3.01 1.03 0.00 5.02 5.03 -1.89 -3.08 116.97 126.08 3fgr h TYR 458 Ca -0.48 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 60.68 3fgr h TYR 458 Cb 1.19 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 39.19 3fgr h TYR 458 CO 0.62 0.90 -1.68 0.25 -1.32 0.00 0.00 178.16 176.93 3fgr n THR 459 N -4.31 0.24 0.28 1.81 -2.24 -1.26 -4.52 114.28 104.28 3fgr n THR 459 Ca 0.03 -0.53 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3fgr n THR 459 Cb 0.28 -0.13 0.05 0.00 -2.10 0.00 0.00 70.33 68.43 3fgr n THR 459 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fgr n LYS 460 N -2.41 0.62 -1.19 -0.78 5.02 -1.25 -4.45 118.16 113.72 3fgr n LYS 460 Ca -0.03 -1.16 -0.31 0.00 -2.02 0.00 0.00 58.31 54.79 3fgr n LYS 460 Cb 0.58 -1.17 0.11 0.00 -0.02 0.00 0.00 35.03 34.52 3fgr n LYS 460 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fgr s ASN 461 N -0.76 4.16 0.20 4.39 2.20 -0.90 -4.69 114.94 119.53 3fgr s ASN 461 Ca 0.11 1.80 -0.11 0.00 -0.94 0.00 0.00 52.86 53.72 3fgr s ASN 461 Cb 0.08 -2.47 0.22 0.00 -2.00 0.00 0.00 41.25 37.08 3fgr s ASN 461 CO 0.11 -2.25 1.75 -0.65 -2.94 0.00 0.00 177.10 173.13 3fgr h PRO 462 N -1.28 0.40 -0.47 3.55 0.11 -1.84 -0.92 132.00 131.56 3fgr h PRO 462 Ca -0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3fgr h PRO 462 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3fgr h PRO 462 CO 0.51 0.27 0.05 0.00 -0.21 0.00 0.00 178.00 178.61 3fgr h ARG 463 N 0.42 0.80 -0.67 1.05 3.08 -1.90 0.37 114.38 117.52 3fgr h ARG 463 Ca 0.27 -0.23 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3fgr h ARG 463 Cb 0.29 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3fgr h ARG 463 CO -0.26 0.83 0.29 0.00 -1.07 0.00 0.00 179.97 179.76 3fgr h ALA 464 N 0.94 0.90 -0.34 0.04 0.00 -1.76 0.36 119.26 119.41 3fgr h ALA 464 Ca 0.14 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3fgr h ALA 464 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fgr h ALA 464 CO 0.02 -0.13 -0.31 0.87 0.00 0.00 0.00 179.25 179.70 3fgr h LYS 465 N 0.50 0.72 -0.32 0.00 1.57 -0.73 -0.43 116.57 117.88 3fgr h LYS 465 Ca 0.34 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3fgr h LYS 465 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3fgr h LYS 465 CO -0.30 0.94 -0.02 0.82 -0.57 0.00 0.00 179.45 180.32 3fgr h ILE 466 N 0.61 1.26 -0.59 1.86 2.04 -0.48 -0.75 117.51 121.47 3fgr h ILE 466 Ca 0.07 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3fgr h ILE 466 Cb 0.83 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3fgr h ILE 466 CO 0.07 0.32 0.33 -0.26 0.00 0.00 0.00 178.15 178.61 3fgr h PHE 467 N 0.36 0.80 -0.90 1.37 0.05 -0.81 0.35 116.94 118.17 3fgr h PHE 467 Ca 0.09 -0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.92 3fgr h PHE 467 Cb 0.47 -0.26 -0.06 0.00 2.00 0.00 0.00 35.95 38.10 3fgr h PHE 467 CO 0.04 0.58 0.57 1.96 -0.18 0.00 0.00 178.31 181.27 3fgr h GLN 468 N 0.80 1.02 -0.25 1.51 4.20 -0.91 0.34 115.11 121.82 3fgr h GLN 468 Ca 0.21 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 3fgr h GLN 468 Cb 0.03 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3fgr h GLN 468 CO -0.03 0.68 -0.57 -0.09 -0.67 0.00 0.00 178.83 178.15 3fgr h ARG 469 N 1.05 0.83 0.00 1.46 2.43 -0.71 -3.40 114.38 116.04 3fgr h ARG 469 Ca 0.38 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3fgr h ARG 469 Cb 0.13 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3fgr h ARG 469 CO -0.16 1.18 -0.34 -0.25 -1.51 0.00 0.00 179.97 178.89 3fgr n ASP 470 N -4.03 0.64 0.21 -3.80 8.00 0.08 -4.70 116.55 112.94 3fgr n ASP 470 Ca -0.05 -0.54 0.06 0.00 0.71 0.00 0.00 54.79 54.96 3fgr n ASP 470 Cb 0.64 1.03 0.53 0.00 -0.02 0.00 0.00 41.12 43.29 3fgr n ASP 470 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 3fgr h GLN 471 N 0.00 0.06 0.00 -1.24 -0.00 -1.11 -1.60 115.11 111.22 3fgr h GLN 471 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3fgr h GLN 471 Cb 0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3fgr h GLN 471 CO 0.00 0.16 0.00 0.66 -0.00 0.00 0.00 178.83 179.65 3fgr h SER 472 N 0.06 0.00 0.56 0.06 4.64 -1.84 -1.15 113.55 115.88 3fgr h SER 472 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3fgr h SER 472 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3fgr h SER 472 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 3fgr n LEU 473 N -2.52 0.00 -4.55 5.97 4.77 -0.60 -4.54 117.00 115.53 3fgr n LEU 473 Ca 0.01 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 3fgr n LEU 473 Cb 0.20 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 3fgr n LEU 473 CO 0.20 -0.06 1.17 -0.69 -1.33 0.00 0.00 177.39 176.68 3fgr s VAL 474 N -2.68 3.74 -0.64 4.08 1.01 -0.44 -4.73 120.40 120.75 3fgr s VAL 474 Ca 0.20 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.71 3fgr s VAL 474 Cb 0.16 -4.87 0.01 0.00 0.00 0.00 0.00 36.38 31.68 3fgr s VAL 474 CO 0.39 -1.78 0.54 -1.84 0.00 0.00 0.00 175.10 172.41 3fgr n GLU 475 N 9.27 1.97 -3.83 2.72 0.28 -1.26 -4.86 120.64 124.92 3fgr n GLU 475 Ca 0.04 -0.55 -0.03 0.00 -0.16 0.00 0.00 57.16 56.46 3fgr n GLU 475 Cb 0.49 -1.00 0.01 0.00 1.43 0.00 0.00 31.44 32.37 3fgr n GLU 475 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3fgr s ASP 476 N -0.98 -0.05 0.16 -1.84 1.47 -1.26 -4.93 116.67 109.24 3fgr s ASP 476 Ca 0.06 -0.58 -0.15 0.00 1.18 0.00 0.00 52.55 53.06 3fgr s ASP 476 Cb 0.05 0.49 0.09 0.00 -0.34 0.00 0.00 42.92 43.21 3fgr s ASP 476 CO 0.15 -0.95 1.76 0.24 0.68 0.00 0.00 175.17 177.06 3fgr h MET 477 N 2.00 0.34 -0.82 2.11 2.86 -1.99 -0.99 114.93 118.44 3fgr h MET 477 Ca -0.27 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3fgr h MET 477 Cb 1.22 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 3fgr h MET 477 CO 0.32 0.22 0.54 -0.44 1.06 0.00 0.00 176.91 178.61 3fgr h ASP 478 N 0.35 0.91 -0.41 1.22 3.32 -1.99 -0.88 116.42 118.93 3fgr h ASP 478 Ca 0.19 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3fgr h ASP 478 Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3fgr h ASP 478 CO -0.17 0.64 0.11 0.00 -1.72 0.00 0.00 179.24 178.10 3fgr h ALA 479 N 1.32 1.29 -0.17 3.45 0.00 -1.81 -1.39 119.26 121.95 3fgr h ALA 479 Ca 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fgr h ALA 479 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fgr h ALA 479 CO -0.09 0.50 0.09 1.98 0.00 0.00 0.00 179.25 181.73 3fgr h MET 480 N 0.71 0.25 -0.66 0.00 1.85 -0.47 -1.65 114.93 114.95 3fgr h MET 480 Ca 0.16 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.26 3fgr h MET 480 Cb 0.28 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.21 3fgr h MET 480 CO -0.00 0.26 0.38 0.28 -0.40 0.00 0.00 176.91 177.44 3fgr h VAL 481 N 0.16 1.02 -0.66 -5.77 2.07 -0.83 -0.68 116.25 111.55 3fgr h VAL 481 Ca 0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3fgr h VAL 481 Cb 0.09 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3fgr h VAL 481 CO -0.01 0.13 0.40 -0.09 0.02 0.00 0.00 177.57 178.03 3fgr h ARG 482 N 0.73 0.90 -0.42 1.57 2.43 -1.00 -0.37 114.38 118.23 3fgr h ARG 482 Ca 0.28 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3fgr h ARG 482 Cb 0.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3fgr h ARG 482 CO -0.15 0.64 -0.09 1.25 -1.51 0.00 0.00 179.97 180.11 3fgr h LEU 483 N 0.90 0.81 -1.35 3.80 5.85 -1.06 -2.72 115.31 121.54 3fgr h LEU 483 Ca 0.24 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3fgr h LEU 483 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3fgr h LEU 483 CO -0.05 0.98 -0.20 0.24 -0.34 0.00 0.00 178.44 179.07 3fgr h MET 484 N 0.63 0.00 -0.32 1.25 2.86 -0.74 -1.43 114.93 117.17 3fgr h MET 484 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3fgr h MET 484 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3fgr h MET 484 CO 0.04 0.20 0.00 0.54 1.06 0.00 0.00 176.91 178.75 3fgr n ARG 485 N -3.47 1.89 -2.33 1.72 5.12 -0.18 -4.12 116.66 115.28 3fgr n ARG 485 Ca -0.00 -1.36 -0.42 0.00 -1.93 0.00 0.00 57.85 54.13 3fgr n ARG 485 Cb 0.38 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 3fgr n ARG 485 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3fgr s TYR 486 N -1.58 3.07 -0.28 -1.55 5.04 -0.54 -4.65 117.35 116.86 3fgr s TYR 486 Ca 0.29 1.03 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 3fgr s TYR 486 Cb 0.16 -3.54 0.17 0.00 0.35 0.00 0.00 41.96 39.10 3fgr s TYR 486 CO 0.22 -1.87 0.53 1.21 -1.34 0.00 0.00 175.55 174.30 3fgr s ASN 487 N 1.59 -0.89 -0.38 4.32 3.84 -1.26 -1.92 114.94 120.24 3fgr s ASN 487 Ca 0.60 0.67 0.12 0.00 0.21 0.00 0.00 52.86 54.46 3fgr s ASN 487 Cb -0.29 1.84 0.44 0.00 -0.55 0.00 0.00 41.25 42.69 3fgr s ASN 487 CO 0.25 -0.27 1.02 -0.67 -2.79 0.00 0.00 177.10 174.64 3fgr n ASP 488 N 5.41 3.00 0.29 -4.21 2.03 -1.26 -4.30 116.55 117.51 3fgr n ASP 488 Ca -0.02 -3.19 0.16 0.00 0.52 0.00 0.00 54.79 52.26 3fgr n ASP 488 Cb 0.51 -0.50 0.89 0.00 -0.72 0.00 0.00 41.12 41.30 3fgr n ASP 488 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fgr h PHE 489 N 2.80 0.00 0.00 -0.67 -0.00 -1.90 -0.25 116.94 116.92 3fgr h PHE 489 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.06 3fgr h PHE 489 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 3fgr h PHE 489 CO 0.65 0.05 0.00 -0.07 -0.00 0.00 0.00 178.31 178.94 3fgr h LEU 490 N 0.00 0.00 0.00 2.10 3.38 -1.93 -3.34 115.31 115.51 3fgr h LEU 490 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fgr h LEU 490 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fgr h LEU 490 CO 0.01 0.00 -0.46 1.41 0.09 0.00 0.00 178.44 179.48 3fgr n HIS 491 N -2.97 0.00 -2.99 1.13 8.25 -0.30 -5.00 115.22 113.34 3fgr n HIS 491 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3fgr n HIS 491 Cb 0.36 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.42 3fgr n HIS 491 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3fgr s ASP 492 N -1.34 6.80 0.52 0.41 -1.08 -0.26 -4.92 116.67 116.79 3fgr s ASP 492 Ca 0.00 0.98 0.18 0.00 -0.52 0.00 0.00 52.55 53.19 3fgr s ASP 492 Cb 0.00 -2.40 1.33 0.00 -1.46 0.00 0.00 42.92 40.39 3fgr s ASP 492 CO 0.00 -0.38 2.14 -0.65 0.52 0.00 0.00 175.17 176.80 3fgr h PRO 493 N 7.53 0.00 0.00 4.34 0.11 -1.91 -0.58 132.00 141.49 3fgr h PRO 493 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fgr h PRO 493 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fgr h PRO 493 CO 0.82 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.92 3fgr n LEU 494 N -4.37 0.61 -0.30 2.35 4.77 -1.26 -2.25 117.00 116.55 3fgr n LEU 494 Ca -0.03 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 3fgr n LEU 494 Cb 0.12 -0.60 0.50 0.00 -2.33 0.00 0.00 43.42 41.11 3fgr n LEU 494 CO 0.33 -0.58 0.79 -1.20 -1.33 0.00 0.00 177.39 175.40 3fgr n SER 495 N -2.19 1.07 -4.73 -1.43 7.64 -0.23 -4.70 113.62 109.04 3fgr n SER 495 Ca 0.02 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 3fgr n SER 495 Cb 0.20 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 3fgr n SER 495 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fgr s LEU 496 N -2.28 4.43 -0.34 -3.43 1.43 -0.96 -1.67 118.68 115.86 3fgr s LEU 496 Ca 0.31 2.22 -0.03 0.00 -1.03 0.00 0.00 54.13 55.60 3fgr s LEU 496 Cb 0.20 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.88 3fgr s LEU 496 CO 0.44 -0.40 0.08 0.00 0.23 0.00 0.00 176.35 176.70 3fgr h GLU 498 N 8.08 0.00 -0.00 0.00 4.39 -1.95 -1.81 114.58 123.28 3fgr h GLU 498 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3fgr h GLU 498 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3fgr h GLU 498 CO 0.60 0.13 -0.08 0.00 -1.16 0.00 0.00 179.01 178.49 3fgr n ALA 499 N -2.32 2.71 -2.92 3.43 0.00 -1.26 -4.89 120.51 115.26 3fgr n ALA 499 Ca -0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 3fgr n ALA 499 Cb 0.24 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3fgr n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgr s ASN 501 N -3.40 2.58 0.92 0.00 2.47 -0.27 -3.41 114.94 113.84 3fgr s ASN 501 Ca 0.34 -0.64 -0.12 0.00 0.42 0.00 0.00 52.86 52.86 3fgr s ASN 501 Cb -0.10 -0.56 0.14 0.00 -1.45 0.00 0.00 41.25 39.29 3fgr s ASN 501 CO 0.28 -0.28 1.10 -2.16 -3.72 0.00 0.00 177.10 172.32 3fgr s PRO 502 N 1.89 1.05 -0.01 0.43 0.04 -1.26 0.18 135.00 137.32 3fgr s PRO 502 Ca 0.01 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.43 3fgr s PRO 502 Cb -0.16 -1.80 -0.28 0.00 0.04 0.00 0.00 34.50 32.30 3fgr s PRO 502 CO -0.07 -2.32 1.01 0.87 0.04 0.00 0.00 177.00 176.52 3fgr h LYS 503 N -1.60 0.39 -6.80 4.56 1.57 -1.79 -3.45 116.57 109.46 3fgr h LYS 503 Ca -0.51 -0.53 -0.53 0.00 -1.87 0.00 0.00 60.65 57.21 3fgr h LYS 503 Cb 1.31 0.18 0.07 0.00 0.08 0.00 0.00 32.23 33.87 3fgr h LYS 503 CO 0.58 1.21 0.79 -2.14 -0.57 0.00 0.00 179.45 179.31 3fgr s PRO 504 N -2.82 4.22 -0.05 3.15 0.02 -1.26 0.14 135.00 138.39 3fgr s PRO 504 Ca -0.13 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.31 3fgr s PRO 504 Cb 0.03 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.50 3fgr s PRO 504 CO 0.84 -0.47 -0.08 1.21 -0.33 0.00 0.00 177.00 178.18 3fgr s ASN 505 N 0.26 1.30 0.00 2.53 3.84 -0.67 -4.88 114.94 117.33 3fgr s ASN 505 Ca 0.59 -0.20 0.23 0.00 0.21 0.00 0.00 52.86 53.69 3fgr s ASN 505 Cb -0.44 -0.61 1.29 0.00 -0.55 0.00 0.00 41.25 40.95 3fgr s ASN 505 CO 0.48 -0.02 1.78 0.00 -2.79 0.00 0.00 177.10 176.54 3fgr n ALA 506 N 3.98 2.28 0.36 1.71 0.00 -1.26 -1.66 120.51 125.92 3fgr n ALA 506 Ca -0.24 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.20 3fgr n ALA 506 Cb 0.51 -1.38 0.26 0.00 0.00 0.00 0.00 19.45 18.84 3fgr n ALA 506 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fgr h GLU 507 N 0.00 0.00 -3.06 0.00 4.57 -1.90 -0.91 114.58 113.28 3fgr h GLU 507 Ca 0.00 0.00 -0.80 0.00 -1.18 0.00 0.00 59.36 57.38 3fgr h GLU 507 Cb 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 28.45 3fgr h GLU 507 CO 0.00 0.00 1.09 0.09 -1.18 0.00 0.00 179.01 179.01 3fgr n ASN 508 N -2.81 6.11 -3.73 1.04 3.02 -0.66 -4.72 115.26 113.50 3fgr n ASN 508 Ca 0.04 -3.34 -0.09 0.00 -0.03 0.00 0.00 54.58 51.16 3fgr n ASN 508 Cb 0.49 -1.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.31 3fgr n ASN 508 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgr s ALA 509 N -2.04 -1.07 0.19 5.41 0.00 -1.26 -4.33 121.76 118.66 3fgr s ALA 509 Ca 0.33 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 3fgr s ALA 509 Cb 0.06 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.14 3fgr s ALA 509 CO 0.08 -0.86 1.68 0.82 0.00 0.00 0.00 175.76 177.48 3fgr h ILE 510 N 2.12 1.26 -3.58 0.00 1.08 -1.71 -3.38 117.51 113.30 3fgr h ILE 510 Ca -0.27 -1.06 -0.66 0.00 -0.39 0.00 0.00 64.86 62.48 3fgr h ILE 510 Cb 1.27 0.66 -0.39 0.00 -3.07 0.00 0.00 36.82 35.28 3fgr h ILE 510 CO 0.34 0.40 -0.66 -0.55 -0.69 0.00 0.00 178.15 176.99 3fgr s SER 511 N -6.50 4.74 0.60 1.72 0.15 -0.81 -4.57 113.70 109.03 3fgr s SER 511 Ca -0.12 -2.40 -0.20 0.00 0.70 0.00 0.00 55.95 53.94 3fgr s SER 511 Cb 0.14 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 3fgr s SER 511 CO 0.85 -0.36 1.30 0.00 1.20 0.00 0.00 173.24 176.23 3fgr s ALA 512 N 0.58 2.58 -0.48 5.45 0.00 -1.26 -4.57 121.76 124.05 3fgr s ALA 512 Ca 0.12 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.36 3fgr s ALA 512 Cb -0.21 -3.54 0.22 0.00 0.00 0.00 0.00 23.12 19.59 3fgr s ALA 512 CO -0.05 -1.42 0.52 0.54 0.00 0.00 0.00 175.76 175.35 3fgr n ARG 513 N -1.50 1.08 0.26 0.00 5.12 -0.35 -0.99 116.66 120.28 3fgr n ARG 513 Ca 0.13 -3.65 0.18 0.00 -1.93 0.00 0.00 57.85 52.58 3fgr n ARG 513 Cb 0.47 -1.66 0.81 0.00 -1.16 0.00 0.00 32.46 30.92 3fgr n ARG 513 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3fgr h SER 514 N 4.60 0.00 0.55 0.55 0.02 -1.60 -1.59 113.55 116.08 3fgr h SER 514 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3fgr h SER 514 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3fgr h SER 514 CO 0.54 0.00 -0.06 -2.24 -1.14 0.00 0.00 176.83 173.94 3fgr h ASP 515 N 0.00 0.00 0.49 3.07 2.03 -1.40 -2.30 116.42 118.31 3fgr h ASP 515 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fgr h ASP 515 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3fgr h ASP 515 CO 0.00 0.06 -0.27 0.18 -1.03 0.00 0.00 179.24 178.17 3fgr n LEU 516 N -3.28 0.53 -4.77 0.15 4.77 -0.60 -4.82 117.00 108.98 3fgr n LEU 516 Ca -0.01 0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 3fgr n LEU 516 Cb 0.24 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3fgr n LEU 516 CO 0.27 0.11 0.70 0.20 -1.33 0.00 0.00 177.39 177.34 3fgr s ASN 517 N -2.76 7.26 0.40 -1.43 0.01 -1.05 -4.95 114.94 112.41 3fgr s ASN 517 Ca 0.19 2.01 -0.26 0.00 -0.71 0.00 0.00 52.86 54.09 3fgr s ASN 517 Cb 0.19 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 3fgr s ASN 517 CO 0.58 -0.13 1.26 -2.16 -1.51 0.00 0.00 177.10 175.13 3fgr s PRO 518 N -1.82 4.03 0.49 -0.60 0.04 -1.26 -4.49 135.00 131.39 3fgr s PRO 518 Ca 0.49 2.06 0.25 0.00 0.04 0.00 0.00 61.00 63.84 3fgr s PRO 518 Cb -0.24 -2.76 1.27 0.00 0.04 0.00 0.00 34.50 32.81 3fgr s PRO 518 CO 0.31 -0.41 2.00 0.00 0.04 0.00 0.00 177.00 178.94 3fgr h ALA 519 N 2.73 1.25 -0.54 8.56 0.00 -1.94 -2.49 119.26 126.83 3fgr h ALA 519 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3fgr h ALA 519 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fgr h ALA 519 CO 0.63 0.21 0.00 0.27 0.00 0.00 0.00 179.25 180.35 3fgr n ASN 520 N -3.64 5.23 -4.76 0.00 6.94 -1.26 -4.93 115.26 112.84 3fgr n ASN 520 Ca -0.01 -2.84 -0.30 0.00 -0.02 0.00 0.00 54.58 51.41 3fgr n ASN 520 Cb 0.29 -0.64 0.11 0.00 -2.36 0.00 0.00 39.78 37.18 3fgr n ASN 520 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3fgr s GLY 521 N -1.00 1.64 -0.25 4.83 0.00 -0.94 -4.99 107.32 106.61 3fgr s GLY 521 Ca 0.52 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 3fgr s GLY 521 CO 0.17 0.41 0.06 -0.45 0.00 0.00 0.00 173.10 173.29 3fgr s SER 522 N -3.57 5.06 -0.01 1.64 0.15 0.13 -4.98 113.70 112.12 3fgr s SER 522 Ca 0.62 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 57.03 3fgr s SER 522 Cb -0.17 -1.90 -0.01 0.00 -1.71 0.00 0.00 66.02 62.23 3fgr s SER 522 CO 0.56 -0.05 -0.13 -0.31 1.20 0.00 0.00 173.24 174.51 3fgr s TYR 523 N 1.59 1.19 -0.06 3.44 2.02 -1.26 -1.11 117.35 123.16 3fgr s TYR 523 Ca 0.06 -0.23 0.26 0.00 -0.37 0.00 0.00 57.07 56.79 3fgr s TYR 523 Cb -0.15 -0.77 0.80 0.00 -0.40 0.00 0.00 41.96 41.44 3fgr s TYR 523 CO 0.03 -0.03 1.77 -1.00 -1.57 0.00 0.00 175.55 174.75 3fgr h PRO 524 N 5.85 0.00 -3.39 -1.71 0.13 -1.98 -3.46 132.00 127.44 3fgr h PRO 524 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 3fgr h PRO 524 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 3fgr h PRO 524 CO 0.49 0.13 -0.05 -0.59 -0.23 0.00 0.00 178.00 177.75 3fgr s PHE 525 N -3.46 -0.12 0.33 1.56 -0.71 -1.26 -5.08 117.98 109.25 3fgr s PHE 525 Ca 0.03 -0.21 0.05 0.00 -1.04 0.00 0.00 56.93 55.76 3fgr s PHE 525 Cb 0.08 0.29 0.69 0.00 -1.21 0.00 0.00 43.02 42.88 3fgr s PHE 525 CO 0.63 -0.80 1.89 1.96 -1.34 0.00 0.00 175.22 177.56 3fgr h GLN 526 N 2.30 0.81 0.00 1.99 1.08 -2.01 -2.40 115.11 116.88 3fgr h GLN 526 Ca -0.32 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 3fgr h GLN 526 Cb 1.26 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3fgr h GLN 526 CO 0.43 0.53 -0.01 0.00 -0.95 0.00 0.00 178.83 178.83 3fgr h ALA 527 N 1.57 1.38 -0.01 3.87 0.00 -2.00 -1.19 119.26 122.89 3fgr h ALA 527 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3fgr h ALA 527 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fgr h ALA 527 CO -0.19 0.01 -0.23 1.28 0.00 0.00 0.00 179.25 180.12 3fgr n LEU 528 N -3.65 0.86 -4.60 0.00 4.77 -0.90 -4.89 117.00 108.58 3fgr n LEU 528 Ca -0.03 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 3fgr n LEU 528 Cb 0.09 -0.15 0.21 0.00 -2.33 0.00 0.00 43.42 41.24 3fgr n LEU 528 CO 0.26 0.16 0.59 -1.00 -1.33 0.00 0.00 177.39 176.07 3fgr s HIS 529 N -2.52 1.78 0.15 -1.77 3.76 -0.45 -4.91 115.29 111.32 3fgr s HIS 529 Ca 0.25 1.11 -0.31 0.00 -0.15 0.00 0.00 55.06 55.96 3fgr s HIS 529 Cb 0.19 -3.19 -0.08 0.00 1.11 0.00 0.00 32.58 30.61 3fgr s HIS 529 CO 0.52 -3.30 1.37 -1.14 -0.85 0.00 0.00 174.74 171.34 3fgr s GLN 530 N -4.74 4.34 -0.01 1.40 0.74 -1.26 -4.83 119.66 115.29 3fgr s GLN 530 Ca 0.67 2.09 -0.21 0.00 0.05 0.00 0.00 55.36 57.96 3fgr s GLN 530 Cb -0.21 -3.22 0.04 0.00 1.10 0.00 0.00 33.01 30.72 3fgr s GLN 530 CO 0.61 -0.38 0.45 1.03 -0.55 0.00 0.00 175.29 176.44 3fgr s ARG 531 N 0.60 0.85 -1.35 1.67 0.52 -0.89 -4.97 118.95 115.39 3fgr s ARG 531 Ca 0.62 -0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.63 3fgr s ARG 531 Cb -0.37 0.39 0.12 0.00 0.52 0.00 0.00 34.95 35.60 3fgr s ARG 531 CO 0.34 -0.26 2.10 0.00 0.02 0.00 0.00 175.30 177.50 3fgr n ALA 532 N 0.98 5.77 -3.42 2.13 0.00 -1.26 -1.44 120.51 123.27 3fgr n ALA 532 Ca -0.20 -4.14 -0.16 0.00 0.00 0.00 0.00 53.44 48.94 3fgr n ALA 532 Cb 0.57 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.86 3fgr n ALA 532 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fgr s HIS 533 N 0.87 -0.50 -4.65 0.00 5.04 -1.26 -0.99 115.29 113.80 3fgr s HIS 533 Ca 0.45 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.80 3fgr s HIS 533 Cb 0.12 0.31 0.00 0.00 0.04 0.00 0.00 32.58 33.05 3fgr s HIS 533 CO -0.03 -0.54 0.00 0.41 -2.34 0.00 0.00 174.74 172.24 3fgr n GLY 534 N 1.01 -1.37 3.71 1.59 0.00 -0.86 -1.98 105.19 107.30 3fgr n GLY 534 Ca -0.20 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3fgr n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fgr s GLY 535 N 0.00 1.43 0.00 -0.02 0.00 -0.16 -1.46 107.32 107.11 3fgr s GLY 535 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.14 3fgr s GLY 535 CO 0.00 2.81 0.61 0.29 0.00 0.00 0.00 173.10 176.80 3fgr n ILE 536 N 4.19 0.19 -3.85 0.90 -5.35 0.46 -3.77 119.36 112.13 3fgr n ILE 536 Ca 0.15 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 62.01 3fgr n ILE 536 Cb 0.38 0.91 0.01 0.00 -1.74 0.00 0.00 39.64 39.20 3fgr n ILE 536 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3fgr s ASP 537 N -0.22 -0.04 -0.05 7.28 1.47 -1.25 0.51 116.67 124.38 3fgr s ASP 537 Ca 0.01 -0.61 -0.04 0.00 1.18 0.00 0.00 52.55 53.09 3fgr s ASP 537 Cb 0.00 0.49 0.02 0.00 -0.34 0.00 0.00 42.92 43.10 3fgr s ASP 537 CO 0.01 -0.97 0.12 -0.69 0.68 0.00 0.00 175.17 174.32 3fgr s VAL 538 N -2.42 -0.01 -0.02 2.11 1.01 -0.31 -3.80 120.40 116.97 3fgr s VAL 538 Ca 0.19 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3fgr s VAL 538 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3fgr s VAL 538 CO 0.04 0.02 -0.16 -0.54 0.00 0.00 0.00 175.10 174.46 3fgr s LYS 539 N 0.29 1.40 -0.00 2.72 3.01 -0.21 -0.94 119.74 126.02 3fgr s LYS 539 Ca -0.02 -0.58 0.01 0.00 -1.01 0.00 0.00 55.97 54.37 3fgr s LYS 539 Cb -0.03 -1.32 -0.00 0.00 -1.01 0.00 0.00 37.83 35.46 3fgr s LYS 539 CO -0.01 0.32 -0.04 0.08 0.51 0.00 0.00 175.35 176.21 3fgr s VAL 540 N -0.28 0.32 0.33 3.17 1.01 0.12 -1.39 120.40 123.70 3fgr s VAL 540 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3fgr s VAL 540 Cb -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3fgr s VAL 540 CO -0.00 0.09 0.17 0.28 0.00 0.00 0.00 175.10 175.64 3fgr s THR 541 N -0.10 0.35 0.27 3.92 -1.32 0.27 -1.10 115.64 117.93 3fgr s THR 541 Ca 0.02 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.48 3fgr s THR 541 Cb -0.02 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 3fgr s THR 541 CO -0.00 0.00 0.30 -0.94 -2.21 0.00 0.00 174.62 171.77 3fgr s SER 542 N -3.43 0.63 0.15 8.08 1.04 -1.26 -1.65 113.70 117.26 3fgr s SER 542 Ca 0.34 -1.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.15 3fgr s SER 542 Cb 0.04 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.73 3fgr s SER 542 CO 0.18 -1.05 1.65 0.15 0.98 0.00 0.00 173.24 175.16 3fgr h PHE 543 N 2.33 -0.41 -0.22 5.02 3.57 -1.96 0.02 116.94 125.29 3fgr h PHE 543 Ca -0.30 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 3fgr h PHE 543 Cb 1.24 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 3fgr h PHE 543 CO 0.92 -0.24 -0.33 1.15 -2.23 0.00 0.00 178.31 177.58 3fgr h THR 544 N -0.13 1.32 -0.59 4.41 2.02 -1.97 -2.58 112.91 115.39 3fgr h THR 544 Ca 0.15 -1.54 0.02 0.00 0.77 0.00 0.00 66.41 65.81 3fgr h THR 544 Cb 0.37 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3fgr h THR 544 CO -0.37 0.48 0.38 -0.07 0.37 0.00 0.00 175.52 176.31 3fgr h LEU 545 N 0.31 0.63 -1.12 2.58 3.38 -1.82 -2.50 115.31 116.77 3fgr h LEU 545 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fgr h LEU 545 Cb 0.92 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3fgr h LEU 545 CO 0.08 0.44 0.12 0.00 0.09 0.00 0.00 178.44 179.17 3fgr h ALA 546 N 1.24 1.29 -0.71 1.53 0.00 -0.99 -0.04 119.26 121.59 3fgr h ALA 546 Ca 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3fgr h ALA 546 Cb -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3fgr h ALA 546 CO -0.08 0.50 0.47 -0.22 0.00 0.00 0.00 179.25 179.92 3fgr h LYS 547 N 0.72 0.59 -0.67 0.00 3.64 -1.03 -0.59 116.57 119.24 3fgr h LYS 547 Ca 0.16 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3fgr h LYS 547 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3fgr h LYS 547 CO -0.00 0.39 0.07 0.66 -2.27 0.00 0.00 179.45 178.30 3fgr n TYR 548 N -4.49 1.99 -3.97 1.91 4.01 -0.55 -4.94 117.16 111.12 3fgr n TYR 548 Ca 0.11 -0.77 -0.28 0.00 -0.16 0.00 0.00 57.90 56.80 3fgr n TYR 548 Cb 0.33 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 38.83 3fgr n TYR 548 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3fgr n MET 549 N 0.39 -3.84 -4.30 -0.72 2.81 -0.23 -4.94 117.12 106.28 3fgr n MET 549 Ca 0.28 0.46 -0.18 0.00 -1.81 0.00 0.00 57.70 56.46 3fgr n MET 549 Cb 1.16 -4.88 -0.10 0.00 -0.71 0.00 0.00 33.22 28.68 3fgr n MET 549 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3fgr s SER 550 N -4.00 2.29 0.18 7.83 0.01 -0.14 -4.53 113.70 115.35 3fgr s SER 550 Ca 0.25 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 3fgr s SER 550 Cb -0.13 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 3fgr s SER 550 CO 0.88 -0.19 0.35 0.00 0.41 0.00 0.00 173.24 174.68 3fgr s MET 551 N -3.43 1.25 -0.14 12.44 0.23 -0.13 -3.90 119.30 125.63 3fgr s MET 551 Ca 0.18 -1.15 -0.09 0.00 -1.03 0.00 0.00 55.69 53.60 3fgr s MET 551 Cb -0.01 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 3fgr s MET 551 CO 0.05 -0.48 0.16 -0.51 -2.03 0.00 0.00 175.02 172.20 3fgr s LEU 552 N -2.97 4.33 -0.01 0.18 1.43 -0.26 -0.43 118.68 120.95 3fgr s LEU 552 Ca 0.17 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3fgr s LEU 552 Cb 0.02 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3fgr s LEU 552 CO 0.01 0.31 0.04 0.00 0.23 0.00 0.00 176.35 176.95 3fgr s ALA 553 N -0.50 -0.10 -0.04 4.21 0.00 0.10 -0.70 121.76 124.73 3fgr s ALA 553 Ca 0.13 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3fgr s ALA 553 Cb -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3fgr s ALA 553 CO 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 175.76 175.62 3fgr s ALA 554 N -0.07 1.24 -0.13 0.00 0.00 -0.12 -0.25 121.76 122.43 3fgr s ALA 554 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 3fgr s ALA 554 Cb -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3fgr s ALA 554 CO 0.00 0.19 0.01 0.45 0.00 0.00 0.00 175.76 176.41 3fgr s SER 555 N 0.26 5.27 0.00 0.00 0.15 -1.26 -1.16 113.70 116.96 3fgr s SER 555 Ca -0.06 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3fgr s SER 555 Cb -0.12 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3fgr s SER 555 CO 0.02 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3fgr n GLY 556 N 2.85 1.92 3.74 9.45 0.00 0.18 -4.42 105.19 118.91 3fgr n GLY 556 Ca -0.18 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 3fgr n GLY 556 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fgr s PRO 557 N -2.16 2.39 0.35 1.61 0.02 -1.25 -3.74 135.00 132.22 3fgr s PRO 557 Ca 0.00 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 62.39 3fgr s PRO 557 Cb 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 3fgr s PRO 557 CO 0.00 -1.62 1.28 -0.08 -0.33 0.00 0.00 177.00 176.25 3fgr s THR 558 N -2.07 2.80 -0.03 0.99 -1.32 -1.26 -4.77 115.64 109.97 3fgr s THR 558 Ca 0.72 0.77 0.06 0.00 -1.21 0.00 0.00 61.69 62.04 3fgr s THR 558 Cb -0.26 -3.48 0.11 0.00 -1.51 0.00 0.00 72.50 67.36 3fgr s THR 558 CO 0.43 0.16 1.05 -2.67 -2.21 0.00 0.00 174.62 171.38 3fgr n TRP 559 N 0.61 0.00 -0.08 9.09 4.27 -1.26 -4.60 117.44 125.47 3fgr n TRP 559 Ca 0.01 -0.28 -0.10 0.00 -3.89 0.00 0.00 57.50 53.25 3fgr n TRP 559 Cb 0.43 -0.08 -0.03 0.00 -1.36 0.00 0.00 31.31 30.27 3fgr n TRP 559 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 3fgr h ASP 560 N 0.13 0.36 0.00 -0.67 3.45 -1.92 -3.37 116.42 114.40 3fgr h ASP 560 Ca -0.02 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.29 3fgr h ASP 560 Cb 1.37 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3fgr h ASP 560 CO 0.01 0.41 0.00 0.00 -1.57 0.00 0.00 179.24 178.09 3fgr n GLN 561 N -4.78 1.47 -4.07 3.56 6.02 -1.26 -5.05 117.38 113.27 3fgr n GLN 561 Ca -0.02 -0.10 -0.26 0.00 -0.01 0.00 0.00 57.00 56.60 3fgr n GLN 561 Cb 0.12 -0.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.87 3fgr n GLN 561 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fgr s PRO 563 N -3.12 4.27 0.38 0.00 0.04 -1.26 -4.35 135.00 130.96 3fgr s PRO 563 Ca 0.31 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 3fgr s PRO 563 Cb -0.10 -2.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 3fgr s PRO 563 CO 0.24 -0.23 1.30 -2.30 0.04 0.00 0.00 177.00 176.05 3fgr n PRO 564 N 0.61 2.08 -2.18 0.56 -0.02 -1.26 -4.84 135.00 129.95 3fgr n PRO 564 Ca 0.01 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3fgr n PRO 564 Cb 0.43 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3fgr n PRO 564 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fgr s PHE 565 N -1.15 3.18 -0.09 6.00 5.36 -1.26 -4.88 117.98 125.15 3fgr s PHE 565 Ca 0.58 1.31 -0.03 0.00 -0.96 0.00 0.00 56.93 57.83 3fgr s PHE 565 Cb -0.53 -3.63 0.05 0.00 -0.34 0.00 0.00 43.02 38.57 3fgr s PHE 565 CO 0.60 -1.85 0.13 -1.14 -1.46 0.00 0.00 175.22 171.50 3fgr s GLN 566 N -0.87 0.01 0.15 10.12 0.74 -1.26 -0.96 119.66 127.59 3fgr s GLN 566 Ca 0.53 0.43 -0.18 0.00 0.05 0.00 0.00 55.36 56.19 3fgr s GLN 566 Cb -0.38 -0.54 0.05 0.00 1.10 0.00 0.00 33.01 33.24 3fgr s GLN 566 CO 0.44 -0.37 1.68 -1.49 -0.55 0.00 0.00 175.29 175.01 3fgr h TRP 567 N 8.39 -0.16 0.00 1.67 4.06 -1.58 -1.42 115.95 126.90 3fgr h TRP 567 Ca -0.13 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3fgr h TRP 567 Cb 1.12 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 3fgr h TRP 567 CO 0.40 -0.14 0.00 0.66 -3.56 0.00 0.00 178.44 175.80 3fgr h SER 568 N 0.01 0.00 -1.40 -3.49 4.64 -1.90 -2.28 113.55 109.12 3fgr h SER 568 Ca 0.16 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.86 3fgr h SER 568 Cb 0.24 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.94 3fgr h SER 568 CO -0.33 0.00 -0.38 0.29 -0.87 0.00 0.00 176.83 175.54 3fgr n LYS 569 N -3.08 3.32 -4.26 4.77 5.02 -0.57 -4.88 118.16 118.48 3fgr n LYS 569 Ca 0.00 -4.22 -0.14 0.00 -2.02 0.00 0.00 58.31 51.93 3fgr n LYS 569 Cb 0.27 -2.26 -0.10 0.00 -0.02 0.00 0.00 35.03 32.92 3fgr n LYS 569 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fgr s SER 570 N -3.08 0.95 0.00 4.39 1.04 -0.86 -4.65 113.70 111.50 3fgr s SER 570 Ca 0.50 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.67 3fgr s SER 570 Cb 0.41 0.19 0.20 0.00 0.10 0.00 0.00 66.02 66.93 3fgr s SER 570 CO -0.17 -0.70 1.06 -2.65 0.98 0.00 0.00 173.24 171.77 3fgr n PRO 571 N -0.33 0.03 -0.27 4.02 -0.02 -1.26 -3.37 135.00 133.80 3fgr n PRO 571 Ca -0.02 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.89 3fgr n PRO 571 Cb 0.65 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.82 3fgr n PRO 571 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fgr n PHE 572 N -1.41 0.53 0.24 6.00 3.72 -1.26 -4.73 117.46 120.54 3fgr n PHE 572 Ca 0.01 -0.86 0.18 0.00 -0.05 0.00 0.00 57.45 56.73 3fgr n PHE 572 Cb 0.04 -0.22 0.87 0.00 -0.94 0.00 0.00 39.48 39.24 3fgr n PHE 572 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3fgr h HIS 573 N 1.10 0.00 0.00 1.38 2.07 -1.56 -1.42 115.15 116.73 3fgr h HIS 573 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3fgr h HIS 573 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 3fgr h HIS 573 CO 0.28 0.00 -0.43 -1.13 -3.07 0.00 0.00 177.93 173.58 3fgr n SER 574 N -3.53 0.61 -4.77 3.10 3.41 -1.26 -4.88 113.62 106.31 3fgr n SER 574 Ca 0.01 0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 3fgr n SER 574 Cb 0.33 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3fgr n SER 574 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fgr s MET 575 N -3.11 3.75 0.17 4.33 -1.94 -0.54 -4.95 119.30 117.01 3fgr s MET 575 Ca 0.09 1.97 -0.31 0.00 -1.71 0.00 0.00 55.69 55.73 3fgr s MET 575 Cb 0.14 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.38 3fgr s MET 575 CO 0.68 -0.62 1.48 -0.51 -0.01 0.00 0.00 175.02 176.04 3fgr s LEU 576 N -2.87 4.38 -0.34 -0.03 1.43 -1.26 -4.90 118.68 115.08 3fgr s LEU 576 Ca 0.62 2.54 0.16 0.00 -1.03 0.00 0.00 54.13 56.42 3fgr s LEU 576 Cb -0.34 -3.60 0.44 0.00 0.03 0.00 0.00 46.19 42.73 3fgr s LEU 576 CO 0.41 -0.74 1.11 0.00 0.23 0.00 0.00 176.35 177.36 3fgr n HIS 577 N 3.58 -0.01 -1.63 0.29 1.44 -1.26 -4.84 115.22 112.79 3fgr n HIS 577 Ca 0.11 -2.42 -0.47 0.00 -2.01 0.00 0.00 57.72 52.93 3fgr n HIS 577 Cb 0.40 0.29 -0.04 0.00 0.12 0.00 0.00 29.99 30.76 3fgr n HIS 577 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3fgr n MET 578 N -0.34 1.62 0.00 -1.40 2.81 -1.26 -1.87 117.12 116.68 3fgr n MET 578 Ca 0.04 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.51 3fgr n MET 578 Cb 0.83 -2.19 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3fgr n MET 578 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fgr n GLY 579 N 2.31 2.57 3.83 3.03 0.00 -1.26 -4.98 105.19 110.70 3fgr n GLY 579 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3fgr n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgr s GLN 580 N -0.24 4.09 0.58 1.61 -0.21 -0.78 -5.05 119.66 119.67 3fgr s GLN 580 Ca 0.00 0.68 -0.19 0.00 0.02 0.00 0.00 55.36 55.87 3fgr s GLN 580 Cb 0.00 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 3fgr s GLN 580 CO 0.00 0.36 1.00 -2.30 -2.12 0.00 0.00 175.29 172.23 3fgr n PRO 581 N 0.45 0.99 0.08 2.91 -0.02 -1.26 -4.96 135.00 133.19 3fgr n PRO 581 Ca -0.02 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 3fgr n PRO 581 Cb 0.52 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 3fgr n PRO 581 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3fgr h ASP 582 N 0.65 -0.23 -2.99 2.55 3.58 -1.96 -3.45 116.42 114.56 3fgr h ASP 582 Ca -0.48 -0.30 -0.63 0.00 0.42 0.00 0.00 57.03 56.04 3fgr h ASP 582 Cb 1.36 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.38 3fgr h ASP 582 CO 0.52 0.29 -0.41 -0.22 -2.88 0.00 0.00 179.24 176.54 3fgr s LEU 583 N -9.09 4.33 -0.48 2.28 2.96 -1.26 -1.50 118.68 115.92 3fgr s LEU 583 Ca -0.13 0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3fgr s LEU 583 Cb 0.01 -2.21 0.13 0.00 0.50 0.00 0.00 46.19 44.61 3fgr s LEU 583 CO 0.48 0.27 0.29 0.26 -1.32 0.00 0.00 176.35 176.33 3fgr s TRP 584 N -0.36 3.52 -0.35 5.38 0.52 -0.14 -4.91 118.94 122.61 3fgr s TRP 584 Ca 0.15 -2.46 0.15 0.00 0.02 0.00 0.00 56.10 53.95 3fgr s TRP 584 Cb -0.13 -3.24 0.41 0.00 -1.15 0.00 0.00 33.47 29.36 3fgr s TRP 584 CO 0.04 -0.94 0.87 -0.12 0.02 0.00 0.00 176.95 176.82 3fgr n MET 585 N 4.29 1.22 -3.60 4.98 1.56 -1.26 -3.99 117.12 120.32 3fgr n MET 585 Ca 0.00 -3.40 -0.32 0.00 -0.27 0.00 0.00 57.70 53.71 3fgr n MET 585 Cb 0.40 -1.50 -0.05 0.00 2.15 0.00 0.00 33.22 34.22 3fgr n MET 585 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 3fgr s PHE 586 N -2.87 3.47 0.33 1.12 0.08 -1.26 -5.10 117.98 113.75 3fgr s PHE 586 Ca 0.34 0.66 0.07 0.00 0.12 0.00 0.00 56.93 58.12 3fgr s PHE 586 Cb 0.41 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3fgr s PHE 586 CO -0.02 0.40 0.32 -1.12 -0.10 0.00 0.00 175.22 174.69 3fgr s SER 587 N -2.35 5.44 0.57 1.36 0.01 -1.26 -4.75 113.70 112.73 3fgr s SER 587 Ca 0.42 -0.41 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 3fgr s SER 587 Cb -0.12 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 3fgr s SER 587 CO 0.23 -0.33 1.29 -2.84 0.41 0.00 0.00 173.24 172.00 3fgr s PRO 588 N -4.01 3.02 0.15 12.44 0.02 -1.26 -4.70 135.00 140.66 3fgr s PRO 588 Ca 0.41 2.06 0.07 0.00 0.02 0.00 0.00 61.00 63.55 3fgr s PRO 588 Cb -0.07 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3fgr s PRO 588 CO 0.27 -1.23 -0.15 0.96 -0.33 0.00 0.00 177.00 176.52 3fgr s ILE 589 N -1.41 1.53 -0.01 2.83 -4.36 0.65 -4.91 121.20 115.51 3fgr s ILE 589 Ca 0.75 -1.87 -0.25 0.00 -0.26 0.00 0.00 60.65 59.02 3fgr s ILE 589 Cb -0.36 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3fgr s ILE 589 CO 0.41 -0.43 0.76 -0.60 0.24 0.00 0.00 174.94 175.32 3fgr s ARG 590 N -2.92 4.47 -0.13 0.37 6.06 -1.26 -0.72 118.95 124.82 3fgr s ARG 590 Ca 0.13 1.01 -0.01 0.00 -2.50 0.00 0.00 55.73 54.36 3fgr s ARG 590 Cb -0.04 -3.41 0.04 0.00 0.06 0.00 0.00 34.95 31.60 3fgr s ARG 590 CO 0.04 0.14 -0.01 0.08 -2.50 0.00 0.00 175.30 173.06 3fgr s VAL 591 N 0.47 0.69 -2.13 7.11 1.01 0.43 -4.97 120.40 123.00 3fgr s VAL 591 Ca 0.39 -0.31 0.31 0.00 0.00 0.00 0.00 61.98 62.37 3fgr s VAL 591 Cb -0.19 -0.93 0.82 0.00 0.00 0.00 0.00 36.38 36.08 3fgr s VAL 591 CO 0.21 0.11 2.11 -0.81 0.00 0.00 0.00 175.10 176.72