#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u47 n ALA 298 N 0.00 -2.33 -2.72 0.00 0.00 -1.26 -4.94 120.51 109.26 1u47 n ALA 298 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1u47 n ALA 298 Cb 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 1u47 n ALA 298 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u47 s MET 299 N -1.79 4.25 0.32 0.00 1.75 -1.26 -5.06 119.30 117.50 1u47 s MET 299 Ca 0.61 0.13 -0.28 0.00 -1.25 0.00 0.00 55.69 54.91 1u47 s MET 299 Cb -0.42 -3.42 -0.09 0.00 2.84 0.00 0.00 34.83 33.73 1u47 s MET 299 CO 0.62 0.25 1.13 0.00 -0.65 0.00 0.00 175.02 176.37 1u47 s ALA 300 N 0.43 3.34 0.01 4.11 0.00 -1.26 -5.03 121.76 123.37 1u47 s ALA 300 Ca 0.18 0.94 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1u47 s ALA 300 Cb -0.13 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1u47 s ALA 300 CO 0.05 -0.29 0.91 -0.59 0.00 0.00 0.00 175.76 175.84 1u47 s PHE 301 N -1.25 -0.30 -0.25 0.00 -0.12 -1.26 -4.73 117.98 110.06 1u47 s PHE 301 Ca 0.49 0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 57.40 1u47 s PHE 301 Cb -0.32 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1u47 s PHE 301 CO 0.41 -0.57 0.22 0.99 -0.05 0.00 0.00 175.22 176.21 1u47 s THR 302 N -3.12 5.31 -1.03 -4.49 2.01 -0.27 -5.00 115.64 109.05 1u47 s THR 302 Ca 0.06 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 1u47 s THR 302 Cb -0.01 -3.56 0.20 0.00 0.01 0.00 0.00 72.50 69.14 1u47 s THR 302 CO -0.07 0.29 1.13 -0.22 -0.69 0.00 0.00 174.62 175.06 1u47 s LEU 303 N 1.37 5.75 0.44 4.42 0.20 -1.26 -1.12 118.68 128.47 1u47 s LEU 303 Ca 0.10 -2.84 -0.23 0.00 0.69 0.00 0.00 54.13 51.84 1u47 s LEU 303 Cb -0.15 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 43.22 1u47 s LEU 303 CO 0.07 -0.67 1.11 0.00 -0.29 0.00 0.00 176.35 176.56 1u47 s ALA 304 N 0.84 3.01 -0.45 5.97 0.00 -0.95 -4.97 121.76 125.21 1u47 s ALA 304 Ca 0.32 0.81 0.22 0.00 0.00 0.00 0.00 51.96 53.31 1u47 s ALA 304 Cb -0.07 -3.33 -0.24 0.00 0.00 0.00 0.00 23.12 19.49 1u47 s ALA 304 CO -0.06 -0.45 0.72 -0.25 0.00 0.00 0.00 175.76 175.72 1u47 n ASP 305 N -0.37 0.46 -3.84 0.00 8.00 -1.26 -4.52 116.55 115.02 1u47 n ASP 305 Ca 0.07 -0.37 -0.09 0.00 0.71 0.00 0.00 54.79 55.10 1u47 n ASP 305 Cb 0.49 1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 42.96 1u47 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u47 s ARG 306 N -3.29 0.82 0.15 -1.24 1.70 -1.26 -5.00 118.95 110.83 1u47 s ARG 306 Ca -0.01 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.11 1u47 s ARG 306 Cb 0.15 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 1u47 s ARG 306 CO 0.88 -0.26 0.96 0.08 -1.08 0.00 0.00 175.30 175.87 1u47 s VAL 307 N -3.50 4.37 0.28 4.99 1.01 -1.26 -5.07 120.40 121.23 1u47 s VAL 307 Ca 0.02 2.07 0.10 0.00 0.00 0.00 0.00 61.98 64.17 1u47 s VAL 307 Cb 0.03 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1u47 s VAL 307 CO -0.09 0.37 -0.14 0.42 0.00 0.00 0.00 175.10 175.66 1u47 s THR 308 N -0.34 2.15 0.19 3.92 -4.23 -1.26 -5.06 115.64 111.01 1u47 s THR 308 Ca 0.45 -2.27 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1u47 s THR 308 Cb -0.24 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.34 1u47 s THR 308 CO 0.31 -0.36 1.75 -0.33 -0.54 0.00 0.00 174.62 175.44 1u47 h GLU 309 N 2.26 0.36 0.00 3.99 4.39 -1.98 -1.55 114.58 122.04 1u47 h GLU 309 Ca -0.40 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1u47 h GLU 309 Cb 1.25 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1u47 h GLU 309 CO 0.64 0.24 0.00 -0.85 -1.16 0.00 0.00 179.01 177.88 1u47 n GLU 310 N -5.00 0.04 0.00 2.33 0.28 -1.26 -0.06 120.64 116.96 1u47 n GLU 310 Ca 0.06 0.31 0.13 0.00 -0.16 0.00 0.00 57.16 57.50 1u47 n GLU 310 Cb 0.23 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 31.93 1u47 n GLU 310 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1u47 n MET 311 N -1.37 0.51 -1.36 3.44 2.81 -0.58 -4.09 117.12 116.48 1u47 n MET 311 Ca 0.02 -0.30 -0.18 0.00 -1.81 0.00 0.00 57.70 55.43 1u47 n MET 311 Cb 0.04 -1.49 0.11 0.00 -0.71 0.00 0.00 33.22 31.17 1u47 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u47 n LEU 312 N -0.98 5.15 -4.66 4.03 4.77 0.91 -5.03 117.00 121.19 1u47 n LEU 312 Ca 0.10 -4.24 -0.30 0.00 -0.03 0.00 0.00 56.01 51.53 1u47 n LEU 312 Cb 0.34 -0.60 0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1u47 n LEU 312 CO 0.29 1.62 0.65 0.00 -1.33 0.00 0.00 177.39 178.62 1u47 s ALA 313 N -3.50 1.21 -1.93 -1.18 0.00 -1.26 -4.90 121.76 110.20 1u47 s ALA 313 Ca 0.51 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1u47 s ALA 313 Cb 0.43 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 20.28 1u47 s ALA 313 CO 0.01 -2.79 1.05 -0.40 0.00 0.00 0.00 175.76 173.63 1u47 n ASP 314 N -4.23 0.61 -3.67 0.00 5.68 -1.26 -4.67 116.55 109.01 1u47 n ASP 314 Ca 0.09 -2.01 -0.09 0.00 -0.50 0.00 0.00 54.79 52.28 1u47 n ASP 314 Cb 0.53 -0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 1u47 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1u47 s LYS 315 N -1.83 0.35 0.01 0.11 2.47 -1.25 -1.22 119.74 118.38 1u47 s LYS 315 Ca 0.07 0.95 -0.28 0.00 -1.56 0.00 0.00 55.97 55.15 1u47 s LYS 315 Cb 0.04 0.20 0.09 0.00 -1.46 0.00 0.00 37.83 36.70 1u47 s LYS 315 CO 0.05 -0.22 0.81 0.00 0.16 0.00 0.00 175.35 176.14 1u47 s ALA 316 N 2.17 -1.78 -0.11 3.13 0.00 -0.51 -4.54 121.76 120.13 1u47 s ALA 316 Ca -0.05 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 1u47 s ALA 316 Cb -0.11 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1u47 s ALA 316 CO -0.13 -0.60 0.41 0.00 0.00 0.00 0.00 175.76 175.44 1u47 s ALA 317 N -2.70 3.55 -0.02 0.00 0.00 0.18 -0.34 121.76 122.43 1u47 s ALA 317 Ca 0.01 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1u47 s ALA 317 Cb -0.01 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1u47 s ALA 317 CO -0.06 0.13 -0.17 -1.17 0.00 0.00 0.00 175.76 174.49 1u47 s LEU 318 N 0.23 2.01 -0.12 0.00 2.96 0.24 -1.43 118.68 122.56 1u47 s LEU 318 Ca 0.23 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1u47 s LEU 318 Cb -0.15 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.66 1u47 s LEU 318 CO 0.09 0.20 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.52 1u47 s VAL 319 N -0.31 1.25 -0.47 1.68 1.01 0.29 -4.50 120.40 119.35 1u47 s VAL 319 Ca 0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1u47 s VAL 319 Cb -0.08 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 35.22 1u47 s VAL 319 CO -0.00 0.40 0.23 -0.69 0.00 0.00 0.00 175.10 175.04 1u47 s VAL 320 N 1.53 2.15 -0.11 2.92 1.01 -1.26 -1.15 120.40 125.49 1u47 s VAL 320 Ca 0.03 -2.94 -0.30 0.00 0.00 0.00 0.00 61.98 58.78 1u47 s VAL 320 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1u47 s VAL 320 CO -0.08 -0.80 1.29 -0.70 0.00 0.00 0.00 175.10 174.80 1u47 s GLU 321 N 0.07 4.27 -0.25 2.72 2.56 -0.84 -4.62 118.70 122.61 1u47 s GLU 321 Ca 0.16 1.73 0.01 0.00 0.00 0.00 0.00 54.97 56.88 1u47 s GLU 321 Cb -0.25 -3.70 0.07 0.00 2.00 0.00 0.00 34.13 32.25 1u47 s GLU 321 CO -0.01 -0.63 -0.05 0.08 -0.56 0.00 0.00 175.26 174.09 1u47 s VAL 322 N 3.04 1.68 0.08 3.70 1.01 -1.26 -0.87 120.40 127.78 1u47 s VAL 322 Ca 0.57 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1u47 s VAL 322 Cb -0.24 -1.96 -0.26 0.00 0.00 0.00 0.00 36.38 33.92 1u47 s VAL 322 CO 0.19 -0.17 1.17 0.58 0.00 0.00 0.00 175.10 176.87 1u47 h VAL 323 N 6.67 1.36 -2.58 2.92 2.07 -1.96 -3.45 116.25 121.28 1u47 h VAL 323 Ca -0.17 -2.57 -0.56 0.00 0.82 0.00 0.00 66.70 64.22 1u47 h VAL 323 Cb 1.06 2.66 0.07 0.00 -1.52 0.00 0.00 31.29 33.56 1u47 h VAL 323 CO 0.43 0.77 0.81 -0.62 0.02 0.00 0.00 177.57 178.98 1u47 n GLU 324 N -3.73 2.32 -0.28 1.57 -0.58 -1.26 -4.87 120.64 113.80 1u47 n GLU 324 Ca -0.11 0.83 -0.02 0.00 -0.42 0.00 0.00 57.16 57.44 1u47 n GLU 324 Cb 0.95 -2.59 0.10 0.00 -0.57 0.00 0.00 31.44 29.32 1u47 n GLU 324 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u47 h GLU 325 N 5.52 0.93 -5.43 3.49 5.08 -2.03 -3.32 114.58 118.83 1u47 h GLU 325 Ca -0.45 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.21 1u47 h GLU 325 Cb 1.24 -0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 1u47 h GLU 325 CO 0.86 0.62 0.27 1.21 -1.00 0.00 0.00 179.01 180.97 1u47 s ASN 326 N -5.81 6.30 0.00 1.42 3.84 -1.26 -4.92 114.94 114.51 1u47 s ASN 326 Ca -0.13 -0.55 0.25 0.00 0.21 0.00 0.00 52.86 52.64 1u47 s ASN 326 Cb 0.16 -2.36 1.44 0.00 -0.55 0.00 0.00 41.25 39.95 1u47 s ASN 326 CO 0.78 -1.00 1.93 0.00 -2.79 0.00 0.00 177.10 176.03 1u47 n TYR 327 N 6.69 0.01 -2.13 0.43 0.18 -1.25 -4.71 117.16 116.39 1u47 n TYR 327 Ca -0.02 -0.01 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 1u47 n TYR 327 Cb 0.47 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 1u47 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1u47 s HIS 328 N -1.99 2.32 -1.41 -3.48 3.76 -1.26 -2.47 115.29 110.76 1u47 s HIS 328 Ca 0.37 0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 55.73 1u47 s HIS 328 Cb 0.17 -3.79 0.01 0.00 1.11 0.00 0.00 32.58 30.08 1u47 s HIS 328 CO 0.29 -3.18 0.19 -3.47 -0.85 0.00 0.00 174.74 167.72 1u47 n ASP 329 N 6.68 -4.93 -4.94 1.40 2.03 -1.26 -4.95 116.55 110.58 1u47 n ASP 329 Ca 0.16 -0.05 -0.24 0.00 0.52 0.00 0.00 54.79 55.18 1u47 n ASP 329 Cb 0.43 -4.09 -0.01 0.00 -0.72 0.00 0.00 41.12 36.73 1u47 n ASP 329 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u47 s ALA 330 N -2.90 3.70 0.47 -1.67 0.00 -1.03 -5.08 121.76 115.25 1u47 s ALA 330 Ca 0.12 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 1u47 s ALA 330 Cb -0.06 -2.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1u47 s ALA 330 CO 0.15 -0.04 1.08 -2.14 0.00 0.00 0.00 175.76 174.81 1u47 s PRO 331 N -4.33 3.79 -0.32 0.00 0.02 -1.26 -4.96 135.00 127.94 1u47 s PRO 331 Ca 0.40 1.53 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 1u47 s PRO 331 Cb -0.10 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1u47 s PRO 331 CO 0.36 -0.47 0.15 0.42 -0.33 0.00 0.00 177.00 177.13 1u47 s ILE 332 N -1.77 4.49 -0.91 2.83 1.01 -1.26 -4.36 121.20 121.23 1u47 s ILE 332 Ca 0.65 -0.56 0.26 0.00 0.00 0.00 0.00 60.65 61.00 1u47 s ILE 332 Cb -0.22 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 38.99 1u47 s ILE 332 CO 0.26 0.00 1.52 1.33 0.00 0.00 0.00 174.94 178.06 1u47 n VAL 333 N 4.97 0.10 0.00 2.92 0.24 -0.05 -4.74 118.33 121.77 1u47 n VAL 333 Ca -0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1u47 n VAL 333 Cb 0.48 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1u47 n VAL 333 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u47 n GLY 334 N 1.46 0.71 2.99 7.63 0.00 -1.26 -4.71 105.19 112.01 1u47 n GLY 334 Ca 0.05 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 1u47 n GLY 334 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u47 s ILE 335 N -2.00 0.60 -0.01 -0.61 1.01 -0.69 -1.99 121.20 117.51 1u47 s ILE 335 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1u47 s ILE 335 Cb 0.00 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 1u47 s ILE 335 CO 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 174.94 175.04 1u47 s ALA 336 N -0.12 0.60 -0.03 9.38 0.00 -0.30 -0.54 121.76 130.75 1u47 s ALA 336 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1u47 s ALA 336 Cb -0.04 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1u47 s ALA 336 CO -0.00 0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.89 1u47 s VAL 337 N -0.07 0.74 -0.08 0.00 1.01 -0.34 -0.54 120.40 121.12 1u47 s VAL 337 Ca 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1u47 s VAL 337 Cb -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1u47 s VAL 337 CO -0.00 0.24 -0.07 -0.69 0.00 0.00 0.00 175.10 174.57 1u47 s VAL 338 N 0.33 0.86 0.03 2.92 1.01 -0.51 -0.08 120.40 124.95 1u47 s VAL 338 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1u47 s VAL 338 Cb -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1u47 s VAL 338 CO 0.01 0.31 0.03 -0.46 0.00 0.00 0.00 175.10 175.00 1u47 n ASN 339 N 4.38 -0.09 0.22 3.32 0.23 -0.29 -0.65 115.26 122.38 1u47 n ASN 339 Ca -0.18 -1.15 0.17 0.00 -0.53 0.00 0.00 54.58 52.88 1u47 n ASN 339 Cb 0.51 0.18 0.85 0.00 -2.08 0.00 0.00 39.78 39.23 1u47 n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1u47 h GLU 340 N 0.00 0.00 0.00 -3.83 4.11 -1.93 -1.61 114.58 111.32 1u47 h GLU 340 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1u47 h GLU 340 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1u47 h GLU 340 CO 0.03 0.00 -0.38 0.72 0.07 0.00 0.00 179.01 179.45 1u47 n HIS 341 N -3.81 0.05 0.00 2.06 8.25 -1.26 -5.05 115.22 115.45 1u47 n HIS 341 Ca 0.01 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1u47 n HIS 341 Cb 0.27 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1u47 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u47 n GLY 342 N 1.49 0.97 3.31 -1.41 0.00 -0.61 -5.09 105.19 103.85 1u47 n GLY 342 Ca 0.06 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 1u47 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u47 s ARG 343 N -1.94 2.83 0.06 1.61 0.52 -1.26 -1.14 118.95 119.63 1u47 s ARG 343 Ca 0.00 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1u47 s ARG 343 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1u47 s ARG 343 CO 0.00 0.33 -0.10 -0.06 0.02 0.00 0.00 175.30 175.49 1u47 s PHE 344 N -0.02 0.89 -0.07 -0.53 0.40 0.89 -1.12 117.98 118.41 1u47 s PHE 344 Ca -0.06 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1u47 s PHE 344 Cb -0.15 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 42.88 1u47 s PHE 344 CO 0.05 -0.03 -0.17 0.12 0.70 0.00 0.00 175.22 175.89 1u47 s PHE 345 N -1.43 1.88 -0.02 0.36 5.36 -0.28 -1.20 117.98 122.66 1u47 s PHE 345 Ca -0.06 -0.71 0.05 0.00 -0.96 0.00 0.00 56.93 55.25 1u47 s PHE 345 Cb -0.09 -1.31 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 1u47 s PHE 345 CO 0.01 -0.31 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.78 1u47 s LEU 346 N 0.45 2.01 0.19 6.12 1.43 0.30 -2.25 118.68 126.94 1u47 s LEU 346 Ca -0.14 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 1u47 s LEU 346 Cb -0.16 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 1u47 s LEU 346 CO 0.05 0.20 1.12 -0.13 0.23 0.00 0.00 176.35 177.83 1u47 s ARG 347 N -0.32 4.58 0.16 1.70 0.52 -1.26 -1.71 118.95 122.61 1u47 s ARG 347 Ca 0.05 1.76 -0.17 0.00 -0.52 0.00 0.00 55.73 56.86 1u47 s ARG 347 Cb -0.07 -3.26 0.08 0.00 0.52 0.00 0.00 34.95 32.22 1u47 s ARG 347 CO -0.00 0.06 1.70 -1.35 0.02 0.00 0.00 175.30 175.73 1u47 h PRO 348 N 4.98 0.10 -0.18 3.54 0.11 -1.85 -0.32 132.00 138.38 1u47 h PRO 348 Ca -0.45 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1u47 h PRO 348 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1u47 h PRO 348 CO 0.72 0.07 0.15 1.05 -0.21 0.00 0.00 178.00 179.77 1u47 h GLU 349 N 0.10 0.00 0.00 1.05 9.09 -1.92 0.37 114.58 123.27 1u47 h GLU 349 Ca 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.59 1u47 h GLU 349 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1u47 h GLU 349 CO -0.29 0.00 -0.01 1.15 0.05 0.00 0.00 179.01 179.91 1u47 h THR 350 N 0.00 0.18 -0.27 -1.06 2.02 -1.67 -3.31 112.91 108.81 1u47 h THR 350 Ca 0.09 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1u47 h THR 350 Cb 0.38 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1u47 h THR 350 CO -0.00 0.06 0.16 0.00 0.37 0.00 0.00 175.52 176.12 1u47 h ALA 351 N -0.90 0.34 0.00 6.16 0.00 -0.93 -2.83 119.26 121.10 1u47 h ALA 351 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u47 h ALA 351 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u47 h ALA 351 CO -0.00 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1u47 n LEU 352 N -4.92 0.00 -0.20 0.00 4.77 0.11 -1.83 117.00 114.92 1u47 n LEU 352 Ca -0.02 0.44 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1u47 n LEU 352 Cb 0.04 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1u47 n LEU 352 CO 0.33 -0.23 0.11 0.00 -1.33 0.00 0.00 177.39 176.27 1u47 n ALA 353 N -1.44 3.83 -2.60 -1.18 0.00 -1.08 -4.89 120.51 113.14 1u47 n ALA 353 Ca 0.04 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 1u47 n ALA 353 Cb 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1u47 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u47 s ASP 354 N -2.40 6.62 0.28 0.00 -1.08 -0.76 -4.95 116.67 114.38 1u47 s ASP 354 Ca 0.11 0.52 0.02 0.00 -0.52 0.00 0.00 52.55 52.67 1u47 s ASP 354 Cb 0.14 -2.42 0.66 0.00 -1.46 0.00 0.00 42.92 39.84 1u47 s ASP 354 CO 0.60 -0.72 1.71 -0.65 0.52 0.00 0.00 175.17 176.63 1u47 h PRO 355 N 8.35 0.44 0.11 4.34 0.11 -1.91 -0.53 132.00 142.92 1u47 h PRO 355 Ca -0.24 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1u47 h PRO 355 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1u47 h PRO 355 CO 0.92 0.29 -0.05 1.96 -0.21 0.00 0.00 178.00 180.91 1u47 h GLN 356 N 0.46 -0.15 -0.08 1.05 1.08 -1.93 -0.60 115.11 114.93 1u47 h GLN 356 Ca 0.52 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1u47 h GLN 356 Cb 0.93 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1u47 h GLN 356 CO -0.48 0.00 0.05 0.35 -0.95 0.00 0.00 178.83 177.80 1u47 h PHE 357 N -0.27 0.10 -0.99 2.96 3.57 -1.64 0.00 116.94 120.68 1u47 h PHE 357 Ca -0.02 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1u47 h PHE 357 Cb 0.22 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 1u47 h PHE 357 CO -0.03 0.09 0.64 0.28 -2.23 0.00 0.00 178.31 177.05 1u47 h VAL 358 N 0.09 1.09 -0.46 1.41 2.07 -1.07 0.86 116.25 120.25 1u47 h VAL 358 Ca 0.03 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1u47 h VAL 358 Cb 0.01 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1u47 h VAL 358 CO -0.01 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 1u47 h ALA 359 N 1.44 0.62 -0.59 1.67 0.00 -0.74 -1.95 119.26 119.72 1u47 h ALA 359 Ca 0.42 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u47 h ALA 359 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1u47 h ALA 359 CO -0.17 0.45 0.39 2.35 0.00 0.00 0.00 179.25 182.27 1u47 h TRP 360 N 0.67 0.74 -0.59 0.00 7.01 -0.01 -0.40 115.95 123.38 1u47 h TRP 360 Ca 0.12 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.19 1u47 h TRP 360 Cb 0.55 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.31 1u47 h TRP 360 CO 0.04 0.47 0.33 -0.07 -2.79 0.00 0.00 178.44 176.42 1u47 h LEU 361 N 0.80 0.49 -0.30 0.65 3.38 -0.64 -2.55 115.31 117.16 1u47 h LEU 361 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1u47 h LEU 361 Cb -0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1u47 h LEU 361 CO -0.05 0.33 -0.02 0.61 0.09 0.00 0.00 178.44 179.40 1u47 n GLY 362 N -1.27 -0.75 3.54 0.83 0.00 -0.75 -0.98 105.19 105.81 1u47 n GLY 362 Ca 0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1u47 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u47 s ASP 363 N -2.14 6.42 0.66 1.61 -1.08 -0.22 -4.58 116.67 117.34 1u47 s ASP 363 Ca 0.40 -0.12 0.42 0.00 -0.52 0.00 0.00 52.55 52.73 1u47 s ASP 363 Cb 0.21 -2.44 2.33 0.00 -1.46 0.00 0.00 42.92 41.56 1u47 s ASP 363 CO 0.39 -1.11 2.33 -0.08 0.52 0.00 0.00 175.17 177.21 1u47 h GLU 364 N 9.17 0.00 0.00 4.34 4.22 -1.86 -0.89 114.58 129.57 1u47 h GLU 364 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1u47 h GLU 364 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1u47 h GLU 364 CO 1.05 0.00 -0.26 0.25 -2.18 0.00 0.00 179.01 177.86 1u47 n THR 365 N -3.12 0.07 -3.22 0.32 -2.24 -1.26 -4.23 114.28 100.60 1u47 n THR 365 Ca -0.03 -0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 1u47 n THR 365 Cb 0.10 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 1u47 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u47 s LYS 366 N -3.02 3.08 0.01 -0.78 -0.14 -0.34 -4.90 119.74 113.64 1u47 s LYS 366 Ca 0.12 -1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 53.38 1u47 s LYS 366 Cb 0.17 -4.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.18 1u47 s LYS 366 CO 0.62 -1.18 0.98 0.15 -0.76 0.00 0.00 175.35 175.16 1u47 s LYS 367 N 2.34 4.57 -0.00 1.68 -0.14 -0.36 -4.50 119.74 123.33 1u47 s LYS 367 Ca 0.12 1.42 0.07 0.00 -1.36 0.00 0.00 55.97 56.22 1u47 s LYS 367 Cb -0.21 -3.46 -0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1u47 s LYS 367 CO 0.10 -0.04 -0.23 0.15 -0.76 0.00 0.00 175.35 174.57 1u47 s LYS 368 N 0.95 2.10 -0.12 1.68 3.01 -0.02 -1.42 119.74 125.93 1u47 s LYS 368 Ca 0.52 -0.94 -0.01 0.00 -1.01 0.00 0.00 55.97 54.52 1u47 s LYS 368 Cb -0.21 -2.10 -0.03 0.00 -1.01 0.00 0.00 37.83 34.48 1u47 s LYS 368 CO 0.28 0.56 -0.07 -1.12 0.51 0.00 0.00 175.35 175.51 1u47 s SER 369 N -0.88 4.56 0.34 2.83 0.01 0.53 -1.52 113.70 119.58 1u47 s SER 369 Ca 0.11 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1u47 s SER 369 Cb -0.10 -1.54 -0.00 0.00 0.21 0.00 0.00 66.02 64.59 1u47 s SER 369 CO 0.01 0.23 0.43 0.23 0.41 0.00 0.00 173.24 174.54 1u47 n MET 370 N 3.11 0.61 -3.96 12.44 2.81 0.54 -0.59 117.12 132.08 1u47 n MET 370 Ca -0.18 -2.93 -0.29 0.00 -1.81 0.00 0.00 57.70 52.49 1u47 n MET 370 Cb 0.53 2.69 -0.16 0.00 -0.71 0.00 0.00 33.22 35.56 1u47 n MET 370 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1u47 s PHE 371 N -3.04 2.06 -0.92 2.03 2.19 -1.26 0.52 117.98 119.56 1u47 s PHE 371 Ca 0.32 -1.28 -0.05 0.00 0.33 0.00 0.00 56.93 56.25 1u47 s PHE 371 Cb -0.00 -1.49 -0.05 0.00 -1.31 0.00 0.00 43.02 40.16 1u47 s PHE 371 CO 0.23 -0.67 0.80 -3.47 1.83 0.00 0.00 175.22 173.94 1u47 n ASP 372 N 4.78 -5.63 0.26 6.13 2.03 -1.26 -4.90 116.55 117.96 1u47 n ASP 372 Ca -0.14 -0.60 0.09 0.00 0.52 0.00 0.00 54.79 54.66 1u47 n ASP 372 Cb 0.48 -4.56 0.68 0.00 -0.72 0.00 0.00 41.12 36.99 1u47 n ASP 372 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1u47 h SER 373 N -1.00 0.00 -0.96 1.67 4.64 -1.95 -2.46 113.55 113.49 1u47 h SER 373 Ca -0.52 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1u47 h SER 373 Cb 1.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1u47 h SER 373 CO 0.38 0.04 0.63 0.50 -0.87 0.00 0.00 176.83 177.52 1u47 h LYS 374 N 0.00 1.21 -0.27 4.77 3.64 -1.90 0.18 116.57 124.19 1u47 h LYS 374 Ca -0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1u47 h LYS 374 Cb 0.08 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1u47 h LYS 374 CO 0.01 0.80 0.13 -0.09 -2.27 0.00 0.00 179.45 178.02 1u47 h ARG 375 N 1.25 0.26 -0.34 1.90 2.43 -1.80 -0.15 114.38 117.93 1u47 h ARG 375 Ca 0.37 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.39 1u47 h ARG 375 Cb -0.06 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1u47 h ARG 375 CO -0.10 0.18 -0.32 0.00 -1.51 0.00 0.00 179.97 178.22 1u47 h ALA 376 N 1.15 0.50 -0.48 2.80 0.00 -1.49 -1.90 119.26 119.83 1u47 h ALA 376 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1u47 h ALA 376 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1u47 h ALA 376 CO -0.09 0.54 0.31 0.00 0.00 0.00 0.00 179.25 180.01 1u47 h ALA 377 N 0.74 0.61 -0.27 0.00 0.00 -0.39 0.69 119.26 120.65 1u47 h ALA 377 Ca 0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1u47 h ALA 377 Cb 0.90 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1u47 h ALA 377 CO 0.08 0.03 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 1u47 h VAL 378 N 0.62 1.31 -0.74 0.00 2.07 -1.02 0.43 116.25 118.92 1u47 h VAL 378 Ca 0.18 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1u47 h VAL 378 Cb -0.04 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1u47 h VAL 378 CO -0.06 0.44 0.49 0.00 0.02 0.00 0.00 177.57 178.46 1u47 h ALA 379 N 0.70 1.52 -0.13 1.67 0.00 -1.13 -1.32 119.26 120.57 1u47 h ALA 379 Ca 0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1u47 h ALA 379 Cb 0.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u47 h ALA 379 CO 0.06 0.42 -0.69 -0.07 0.00 0.00 0.00 179.25 178.96 1u47 h LEU 380 N 0.95 0.64 -0.76 0.00 3.38 -0.66 -3.14 115.31 115.71 1u47 h LEU 380 Ca 0.28 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1u47 h LEU 380 Cb -0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1u47 h LEU 380 CO -0.07 1.15 0.47 0.11 0.09 0.00 0.00 178.44 180.19 1u47 h LYS 381 N 0.38 0.88 0.00 1.13 1.57 0.16 0.30 116.57 121.00 1u47 h LYS 381 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u47 h LYS 381 Cb 1.28 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1u47 h LYS 381 CO 0.13 0.58 0.00 -1.49 -0.57 0.00 0.00 179.45 178.10 1u47 h TRP 382 N 0.91 0.00 -0.59 -1.35 4.06 -1.28 -0.44 115.95 117.26 1u47 h TRP 382 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1u47 h TRP 382 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1u47 h TRP 382 CO -0.04 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.47 1u47 n LYS 383 N -2.98 2.64 -1.53 0.49 5.02 -0.22 -4.95 118.16 116.63 1u47 n LYS 383 Ca -0.02 -2.48 -0.07 0.00 -2.02 0.00 0.00 58.31 53.72 1u47 n LYS 383 Cb 0.14 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1u47 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u47 n GLY 384 N 1.51 0.65 3.33 0.72 0.00 -0.17 -5.03 105.19 106.20 1u47 n GLY 384 Ca 0.22 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1u47 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u47 s ILE 385 N -2.30 2.71 -0.13 -0.61 1.01 -0.07 -5.00 121.20 116.81 1u47 s ILE 385 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1u47 s ILE 385 Cb 0.00 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1u47 s ILE 385 CO 0.00 0.54 0.37 -0.70 0.00 0.00 0.00 174.94 175.15 1u47 s GLU 386 N 0.22 4.24 -0.23 2.79 2.12 -1.26 -3.20 118.70 123.38 1u47 s GLU 386 Ca -0.11 0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.40 1u47 s GLU 386 Cb -0.16 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1u47 s GLU 386 CO 0.06 0.26 0.07 -1.17 -0.54 0.00 0.00 175.26 173.94 1u47 s LEU 387 N 0.35 3.52 0.27 2.70 2.96 -1.26 -2.98 118.68 124.23 1u47 s LEU 387 Ca 0.21 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1u47 s LEU 387 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1u47 s LEU 387 CO 0.07 0.02 0.07 0.00 -1.32 0.00 0.00 176.35 175.19 1u47 n GLY 389 N -0.50 0.52 3.57 0.00 0.00 -1.26 -4.63 105.19 102.89 1u47 n GLY 389 Ca -0.01 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1u47 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u47 s VAL 390 N -2.02 3.75 -0.83 1.61 1.01 -1.26 -0.84 120.40 121.82 1u47 s VAL 390 Ca 0.00 0.61 0.23 0.00 0.00 0.00 0.00 61.98 62.82 1u47 s VAL 390 Cb 0.00 -4.46 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 1u47 s VAL 390 CO 0.00 -1.23 1.14 -1.54 0.00 0.00 0.00 175.10 173.47 1u47 n SER 391 N 9.77 0.65 -3.68 3.32 3.41 -0.58 -4.90 113.62 121.62 1u47 n SER 391 Ca 0.12 -0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 58.26 1u47 n SER 391 Cb 0.49 0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 1u47 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1u47 s PHE 392 N -3.09 -0.67 -0.29 7.33 5.36 -1.21 -4.98 117.98 120.43 1u47 s PHE 392 Ca 0.07 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 57.44 1u47 s PHE 392 Cb 0.16 0.28 0.08 0.00 -0.34 0.00 0.00 43.02 43.19 1u47 s PHE 392 CO 0.78 -0.39 -0.04 0.34 -1.46 0.00 0.00 175.22 174.44 1u47 s ASP 393 N 1.83 4.53 0.39 6.13 -1.08 -1.26 -0.34 116.67 126.88 1u47 s ASP 393 Ca -0.07 -1.67 0.10 0.00 -0.52 0.00 0.00 52.55 50.39 1u47 s ASP 393 Cb -0.10 -1.55 0.87 0.00 -1.46 0.00 0.00 42.92 40.68 1u47 s ASP 393 CO -0.13 -0.27 1.94 0.25 0.52 0.00 0.00 175.17 177.49 1u47 h LEU 394 N 7.73 0.55 -0.05 -1.34 5.85 -0.31 -1.11 115.31 126.63 1u47 h LEU 394 Ca -0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1u47 h LEU 394 Cb 1.03 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1u47 h LEU 394 CO 0.48 0.33 0.02 0.25 -0.34 0.00 0.00 178.44 179.18 1u47 h LEU 395 N 0.61 0.06 -1.04 2.25 5.85 -1.91 -0.07 115.31 121.06 1u47 h LEU 395 Ca 0.33 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1u47 h LEU 395 Cb 0.48 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1u47 h LEU 395 CO -0.12 0.16 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.98 1u47 h LEU 396 N -0.05 0.56 -0.27 2.25 3.38 -1.81 -0.70 115.31 118.67 1u47 h LEU 396 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1u47 h LEU 396 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1u47 h LEU 396 CO -0.00 0.70 0.04 0.00 0.09 0.00 0.00 178.44 179.27 1u47 h ALA 397 N 1.36 0.35 -0.63 1.53 0.00 -0.95 -1.22 119.26 119.71 1u47 h ALA 397 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1u47 h ALA 397 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u47 h ALA 397 CO 0.03 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.46 1u47 h ALA 398 N 0.86 0.83 -0.63 0.00 0.00 -0.81 -1.74 119.26 117.77 1u47 h ALA 398 Ca 0.08 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1u47 h ALA 398 Cb 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1u47 h ALA 398 CO 0.01 0.55 0.40 -0.92 0.00 0.00 0.00 179.25 179.28 1u47 h TYR 399 N 0.93 0.74 -0.38 0.00 3.20 -0.94 -1.62 116.97 118.90 1u47 h TYR 399 Ca 0.20 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1u47 h TYR 399 Cb 0.37 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1u47 h TYR 399 CO 0.03 0.43 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.65 1u47 h LEU 400 N 0.78 0.81 -0.86 2.82 3.38 -0.99 -1.76 115.31 119.48 1u47 h LEU 400 Ca 0.25 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1u47 h LEU 400 Cb -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1u47 h LEU 400 CO -0.09 1.03 -0.05 -0.07 0.09 0.00 0.00 178.44 179.35 1u47 h LEU 401 N 0.67 0.78 -5.74 1.67 3.38 -0.90 -3.41 115.31 111.76 1u47 h LEU 401 Ca 0.08 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1u47 h LEU 401 Cb 0.79 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 41.15 1u47 h LEU 401 CO 0.07 0.87 -0.30 -0.62 0.09 0.00 0.00 178.44 178.55 1u47 s ASP 402 N -6.66 -1.06 0.58 -0.43 -1.08 -0.65 -5.00 116.67 102.37 1u47 s ASP 402 Ca -0.09 -0.41 0.39 0.00 -0.52 0.00 0.00 52.55 51.92 1u47 s ASP 402 Cb 0.14 1.42 2.08 0.00 -1.46 0.00 0.00 42.92 45.10 1u47 s ASP 402 CO 0.82 -0.13 2.19 1.55 0.52 0.00 0.00 175.17 180.12 1u47 h PRO 403 N 6.62 0.00 0.00 4.34 0.13 -1.53 -2.27 132.00 139.29 1u47 h PRO 403 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u47 h PRO 403 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u47 h PRO 403 CO 0.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.80 1u47 h ALA 404 N 2.01 1.00 0.00 -0.56 0.00 -1.92 -3.17 119.26 116.61 1u47 h ALA 404 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1u47 h ALA 404 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u47 h ALA 404 CO 0.00 0.00 -0.24 1.96 0.00 0.00 0.00 179.25 180.97 1u47 h GLN 405 N 0.00 0.00 -3.23 0.00 1.08 -1.79 -3.47 115.11 107.71 1u47 h GLN 405 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1u47 h GLN 405 Cb 0.67 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.14 1u47 h GLN 405 CO 0.00 0.24 -0.41 0.41 -0.95 0.00 0.00 178.83 178.12 1u47 n GLY 406 N -0.34 -0.11 3.64 3.46 0.00 -1.20 -4.92 105.19 105.72 1u47 n GLY 406 Ca -0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1u47 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u47 s VAL 407 N -2.98 3.14 -0.02 1.61 1.01 -1.26 -4.83 120.40 117.06 1u47 s VAL 407 Ca 0.22 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1u47 s VAL 407 Cb -0.10 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1u47 s VAL 407 CO 0.27 -0.04 0.89 -0.90 0.00 0.00 0.00 175.10 175.32 1u47 n ASP 408 N 8.65 1.32 -3.45 3.32 3.85 -1.26 -4.94 116.55 124.03 1u47 n ASP 408 Ca 0.22 -1.91 -0.12 0.00 -0.71 0.00 0.00 54.79 52.27 1u47 n ASP 408 Cb 0.43 -0.09 -0.02 0.00 -1.35 0.00 0.00 41.12 40.08 1u47 n ASP 408 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 1u47 s ASP 409 N -1.04 -0.55 0.27 -1.12 -4.77 -1.26 -5.03 116.67 103.17 1u47 s ASP 409 Ca 0.05 -0.05 -0.01 0.00 -3.30 0.00 0.00 52.55 49.25 1u47 s ASP 409 Cb 0.05 0.61 0.52 0.00 -1.09 0.00 0.00 42.92 43.01 1u47 s ASP 409 CO 0.01 -1.00 1.80 0.58 0.70 0.00 0.00 175.17 177.26 1u47 h VAL 410 N 2.00 0.83 -0.91 2.11 2.07 -1.97 -1.99 116.25 118.39 1u47 h VAL 410 Ca -0.33 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1u47 h VAL 410 Cb 1.31 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1u47 h VAL 410 CO 0.37 0.15 0.59 0.00 0.02 0.00 0.00 177.57 178.70 1u47 h ALA 411 N 1.53 1.19 -0.54 1.67 0.00 -1.88 0.15 119.26 121.38 1u47 h ALA 411 Ca 0.47 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1u47 h ALA 411 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u47 h ALA 411 CO -0.30 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1u47 h ALA 412 N 1.36 0.73 -0.19 0.00 0.00 -1.76 -1.36 119.26 118.04 1u47 h ALA 412 Ca 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1u47 h ALA 412 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u47 h ALA 412 CO -0.10 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.71 1u47 h ALA 413 N 0.95 0.25 -0.82 0.00 0.00 -1.03 -3.08 119.26 115.54 1u47 h ALA 413 Ca 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1u47 h ALA 413 Cb 0.54 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1u47 h ALA 413 CO 0.03 -0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.77 1u47 h ALA 414 N 0.79 1.61 0.00 0.00 0.00 -0.56 -1.31 119.26 119.79 1u47 h ALA 414 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1u47 h ALA 414 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u47 h ALA 414 CO 0.01 0.27 -0.03 -0.22 0.00 0.00 0.00 179.25 179.27 1u47 h LYS 415 N 0.89 0.00 0.00 0.00 3.64 -1.15 -0.74 116.57 119.21 1u47 h LYS 415 Ca 0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1u47 h LYS 415 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1u47 h LYS 415 CO -0.12 0.03 -0.08 0.52 -2.27 0.00 0.00 179.45 177.52 1u47 h MET 416 N 0.00 0.00 -0.22 1.90 2.86 -1.27 -2.24 114.93 115.96 1u47 h MET 416 Ca -0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1u47 h MET 416 Cb 0.17 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1u47 h MET 416 CO 0.00 0.08 -0.24 1.63 1.06 0.00 0.00 176.91 179.45 1u47 n LYS 417 N -3.70 1.74 -2.71 1.72 4.76 -0.37 -4.96 118.16 114.64 1u47 n LYS 417 Ca -0.02 -3.24 -0.18 0.00 -2.87 0.00 0.00 58.31 52.00 1u47 n LYS 417 Cb 0.19 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1u47 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1u47 n GLN 418 N -1.13 -2.82 -3.73 1.97 1.13 -0.84 -4.94 117.38 107.01 1u47 n GLN 418 Ca 0.28 0.70 -0.37 0.00 -1.94 0.00 0.00 57.00 55.67 1u47 n GLN 418 Cb 0.91 -5.38 -0.12 0.00 0.11 0.00 0.00 30.24 25.75 1u47 n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1u47 s TYR 419 N -2.85 3.11 -0.07 1.08 6.14 -0.70 -4.96 117.35 119.10 1u47 s TYR 419 Ca 0.13 -0.52 0.10 0.00 0.64 0.00 0.00 57.07 57.43 1u47 s TYR 419 Cb -0.06 -2.26 0.16 0.00 0.42 0.00 0.00 41.96 40.21 1u47 s TYR 419 CO 0.16 -0.40 1.06 0.39 0.64 0.00 0.00 175.55 177.40 1u47 n GLU 420 N 4.93 0.84 -0.77 4.97 1.02 -1.26 -3.17 120.64 127.20 1u47 n GLU 420 Ca -0.15 -1.85 -0.10 0.00 -0.02 0.00 0.00 57.16 55.03 1u47 n GLU 420 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1u47 n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u47 n ALA 421 N -0.80 4.81 -3.44 0.62 0.00 -1.26 -4.76 120.51 115.68 1u47 n ALA 421 Ca 0.09 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 1u47 n ALA 421 Cb 0.64 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 1u47 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u47 s VAL 422 N -1.12 0.00 0.26 0.00 0.11 -1.26 -4.89 120.40 113.51 1u47 s VAL 422 Ca 0.22 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.15 1u47 s VAL 422 Cb 0.15 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 1u47 s VAL 422 CO -0.01 -0.02 0.56 -0.13 -3.33 0.00 0.00 175.10 172.16 1u47 s ARG 423 N 0.00 3.73 0.45 1.54 0.52 -1.26 -4.83 118.95 119.11 1u47 s ARG 423 Ca -0.02 0.17 -0.24 0.00 -0.52 0.00 0.00 55.73 55.12 1u47 s ARG 423 Cb -0.04 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.72 1u47 s ARG 423 CO 0.02 0.26 1.20 -2.14 0.02 0.00 0.00 175.30 174.67 1u47 s PRO 424 N -3.14 3.77 0.27 3.54 0.02 -1.26 -4.54 135.00 133.65 1u47 s PRO 424 Ca 0.46 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 1u47 s PRO 424 Cb -0.11 -2.48 0.47 0.00 0.02 0.00 0.00 34.50 32.41 1u47 s PRO 424 CO 0.25 -0.57 1.83 -0.44 -0.33 0.00 0.00 177.00 177.74 1u47 h ASP 425 N 2.16 0.84 -0.93 2.53 3.32 -1.97 -1.88 116.42 120.50 1u47 h ASP 425 Ca -0.49 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1u47 h ASP 425 Cb 1.25 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 1u47 h ASP 425 CO 0.61 0.47 0.61 -0.08 -1.72 0.00 0.00 179.24 179.12 1u47 h GLU 426 N 0.94 1.09 -0.14 3.56 4.81 -1.91 0.17 114.58 123.10 1u47 h GLU 426 Ca 0.45 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1u47 h GLU 426 Cb 0.40 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1u47 h GLU 426 CO -0.25 0.72 -0.24 0.00 -0.73 0.00 0.00 179.01 178.51 1u47 h ALA 427 N 1.48 1.34 0.20 2.92 0.00 -1.65 0.94 119.26 124.49 1u47 h ALA 427 Ca 0.38 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 1u47 h ALA 427 Cb 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1u47 h ALA 427 CO -0.13 0.45 -1.52 0.28 0.00 0.00 0.00 179.25 178.33 1u47 h VAL 428 N 0.22 1.13 -0.02 0.00 2.07 -1.09 -3.37 116.25 115.19 1u47 h VAL 428 Ca 0.04 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1u47 h VAL 428 Cb 0.55 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1u47 h VAL 428 CO 0.04 0.81 -0.31 -1.22 0.02 0.00 0.00 177.57 176.90 1u47 n TYR 429 N -3.73 0.00 -4.76 1.57 4.01 0.49 -4.65 117.16 110.08 1u47 n TYR 429 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1u47 n TYR 429 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1u47 n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u47 n GLY 430 N 1.32 -1.04 3.23 2.72 0.00 0.33 -1.68 105.19 110.07 1u47 n GLY 430 Ca 0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1u47 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u47 s LYS 431 N 0.00 0.63 4.07 1.61 -2.85 -1.26 -4.66 119.74 117.28 1u47 s LYS 431 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 1u47 s LYS 431 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1u47 s LYS 431 CO 0.00 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.69 1u47 n GLY 432 N 1.45 0.54 0.30 0.59 0.00 -1.26 -3.42 105.19 103.39 1u47 n GLY 432 Ca -0.21 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.05 1u47 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u47 h ALA 433 N -0.14 1.89 -0.01 4.61 0.00 -2.00 -0.25 119.26 123.36 1u47 h ALA 433 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u47 h ALA 433 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u47 h ALA 433 CO 0.00 -0.14 -0.02 1.63 0.00 0.00 0.00 179.25 180.72 1u47 n LYS 434 N -4.17 1.40 -2.03 0.00 5.02 -1.22 -4.90 118.16 112.26 1u47 n LYS 434 Ca -0.00 -0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 55.22 1u47 n LYS 434 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1u47 n LYS 434 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u47 s ARG 435 N -2.06 4.17 -0.29 1.97 3.52 -0.11 -4.52 118.95 121.64 1u47 s ARG 435 Ca 0.39 2.28 -0.31 0.00 -0.13 0.00 0.00 55.73 57.95 1u47 s ARG 435 Cb 0.21 -2.95 0.19 0.00 -1.56 0.00 0.00 34.95 30.84 1u47 s ARG 435 CO 0.36 -0.36 1.37 0.00 -0.81 0.00 0.00 175.30 175.86 1u47 s ALA 436 N -1.17 -2.14 -0.16 6.12 0.00 -0.67 -4.96 121.76 118.76 1u47 s ALA 436 Ca 0.52 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 54.10 1u47 s ALA 436 Cb -0.41 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1u47 s ALA 436 CO 0.54 -0.31 1.02 0.08 0.00 0.00 0.00 175.76 177.08 1u47 s VAL 437 N -1.26 4.74 1.08 0.00 1.01 -1.26 -4.52 120.40 120.18 1u47 s VAL 437 Ca 0.10 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 63.94 1u47 s VAL 437 Cb -0.01 -4.31 0.23 0.00 0.00 0.00 0.00 36.38 32.30 1u47 s VAL 437 CO -0.07 -0.08 1.17 -2.16 0.00 0.00 0.00 175.10 173.97 1u47 s PRO 438 N 2.54 -0.23 0.76 2.72 0.04 -1.26 -5.00 135.00 134.56 1u47 s PRO 438 Ca 0.46 -0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 1u47 s PRO 438 Cb -0.17 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1u47 s PRO 438 CO 0.12 -3.05 1.06 -0.25 0.04 0.00 0.00 177.00 174.92 1u47 n ASP 439 N -4.29 0.70 -0.29 6.66 10.43 -1.26 -4.55 116.55 123.95 1u47 n ASP 439 Ca 0.12 0.63 0.11 0.00 2.57 0.00 0.00 54.79 58.23 1u47 n ASP 439 Cb 0.59 -1.45 0.27 0.00 1.84 0.00 0.00 41.12 42.37 1u47 n ASP 439 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1u47 h GLU 440 N -0.50 0.29 -0.51 -1.24 4.81 -1.98 -0.81 114.58 114.63 1u47 h GLU 440 Ca -0.47 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1u47 h GLU 440 Cb 1.32 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1u47 h GLU 440 CO 0.46 0.19 0.26 -1.35 -0.73 0.00 0.00 179.01 177.85 1u47 h PRO 441 N 0.30 0.50 -0.21 0.92 0.11 -1.99 0.23 132.00 131.85 1u47 h PRO 441 Ca 0.52 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.41 1u47 h PRO 441 Cb 0.98 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.98 1u47 h PRO 441 CO -0.57 0.33 -0.62 0.28 -0.21 0.00 0.00 178.00 177.21 1u47 h VAL 442 N 0.51 1.29 0.04 3.15 2.07 -1.70 -2.85 116.25 118.76 1u47 h VAL 442 Ca 0.23 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 1u47 h VAL 442 Cb 0.13 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1u47 h VAL 442 CO -0.16 0.58 -0.02 0.25 0.02 0.00 0.00 177.57 178.25 1u47 h LEU 443 N 0.52 -0.04 -0.67 2.57 5.85 -0.93 -2.40 115.31 120.21 1u47 h LEU 443 Ca -0.02 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1u47 h LEU 443 Cb 1.24 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1u47 h LEU 443 CO 0.13 0.13 0.36 0.00 -0.34 0.00 0.00 178.44 178.73 1u47 h ALA 444 N 0.74 0.90 -0.44 1.25 0.00 -0.61 -1.05 119.26 120.05 1u47 h ALA 444 Ca -0.01 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1u47 h ALA 444 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1u47 h ALA 444 CO 0.01 0.02 -0.17 1.49 0.00 0.00 0.00 179.25 180.59 1u47 h GLU 445 N 0.65 0.85 -0.05 0.00 4.81 -1.47 -1.84 114.58 117.53 1u47 h GLU 445 Ca 0.31 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u47 h GLU 445 Cb 0.23 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1u47 h GLU 445 CO -0.20 0.96 0.02 1.25 -0.73 0.00 0.00 179.01 180.31 1u47 h HIS 446 N 0.75 0.08 -0.79 0.92 2.76 -0.87 -0.04 115.15 117.96 1u47 h HIS 446 Ca 0.11 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1u47 h HIS 446 Cb 0.70 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.60 1u47 h HIS 446 CO 0.04 0.21 0.41 -0.07 -1.30 0.00 0.00 177.93 177.22 1u47 h LEU 447 N -0.07 0.99 -0.53 0.26 3.38 -1.16 -0.76 115.31 117.42 1u47 h LEU 447 Ca 0.02 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1u47 h LEU 447 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1u47 h LEU 447 CO -0.00 0.81 -0.13 0.58 0.09 0.00 0.00 178.44 179.79 1u47 h VAL 448 N 1.10 1.27 -0.46 1.22 2.07 -1.17 -1.20 116.25 119.08 1u47 h VAL 448 Ca 0.28 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1u47 h VAL 448 Cb 0.05 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1u47 h VAL 448 CO -0.04 0.45 0.03 0.03 0.02 0.00 0.00 177.57 178.06 1u47 h ARG 449 N 0.89 0.73 -0.35 1.57 3.08 -0.49 0.12 114.38 119.92 1u47 h ARG 449 Ca 0.13 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1u47 h ARG 449 Cb 0.70 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1u47 h ARG 449 CO 0.05 0.72 -0.17 0.87 -1.07 0.00 0.00 179.97 180.37 1u47 h LYS 450 N 0.69 0.74 -0.72 0.04 1.57 -0.93 -1.10 116.57 116.86 1u47 h LYS 450 Ca 0.14 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1u47 h LYS 450 Cb 0.38 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1u47 h LYS 450 CO 0.01 0.94 0.28 0.00 -0.57 0.00 0.00 179.45 180.11 1u47 h ALA 451 N 0.79 1.13 -0.66 3.86 0.00 -0.87 -1.35 119.26 122.15 1u47 h ALA 451 Ca 0.08 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1u47 h ALA 451 Cb 0.71 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1u47 h ALA 451 CO 0.05 0.62 0.10 0.00 0.00 0.00 0.00 179.25 180.02 1u47 h ALA 452 N 1.25 0.88 -0.39 0.00 0.00 -0.57 -0.65 119.26 119.79 1u47 h ALA 452 Ca 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1u47 h ALA 452 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u47 h ALA 452 CO -0.02 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.97 1u47 h ALA 453 N 1.04 0.51 -0.33 0.00 0.00 -0.83 -1.38 119.26 118.28 1u47 h ALA 453 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u47 h ALA 453 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u47 h ALA 453 CO 0.01 0.19 0.21 0.82 0.00 0.00 0.00 179.25 180.49 1u47 h ILE 454 N 0.48 1.10 -0.87 0.00 2.04 -1.06 0.28 117.51 119.48 1u47 h ILE 454 Ca 0.12 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1u47 h ILE 454 Cb 0.32 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1u47 h ILE 454 CO 0.00 0.09 0.53 -0.25 0.00 0.00 0.00 178.15 178.53 1u47 h TRP 455 N 0.43 0.98 0.11 1.37 2.91 -0.91 -2.19 115.95 118.65 1u47 h TRP 455 Ca 0.12 0.03 -0.27 0.00 1.13 0.00 0.00 58.89 59.90 1u47 h TRP 455 Cb -0.02 -0.31 0.01 0.00 -0.51 0.00 0.00 29.16 28.32 1u47 h TRP 455 CO -0.05 0.47 -1.19 1.49 -1.03 0.00 0.00 178.44 178.13 1u47 h GLU 456 N 0.95 0.33 0.00 2.65 4.57 -0.80 -3.36 114.58 118.91 1u47 h GLU 456 Ca 0.39 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1u47 h GLU 456 Cb 0.23 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1u47 h GLU 456 CO -0.19 1.21 -0.22 1.28 -1.18 0.00 0.00 179.01 179.91 1u47 n LEU 457 N -3.60 0.66 0.07 1.64 4.77 0.94 -4.27 117.00 117.21 1u47 n LEU 457 Ca -0.09 0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1u47 n LEU 457 Cb 0.99 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1u47 n LEU 457 CO 0.54 -0.10 0.67 -0.08 -1.33 0.00 0.00 177.39 177.09 1u47 h GLU 458 N 0.00 -0.42 0.14 3.23 4.81 -1.55 -1.86 114.58 118.93 1u47 h GLU 458 Ca 0.00 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1u47 h GLU 458 Cb 0.70 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1u47 h GLU 458 CO 0.00 -0.28 -0.20 -0.09 -0.73 0.00 0.00 179.01 177.71 1u47 h ARG 459 N -0.44 -0.38 -0.71 1.92 9.65 -1.84 -0.36 114.38 122.21 1u47 h ARG 459 Ca 0.06 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1u47 h ARG 459 Cb 0.52 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.15 1u47 h ARG 459 CO -0.23 -0.26 0.37 -1.00 2.80 0.00 0.00 179.97 181.65 1u47 h PRO 460 N -0.40 0.99 -0.35 0.20 0.13 -1.77 -0.25 132.00 130.54 1u47 h PRO 460 Ca 0.02 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1u47 h PRO 460 Cb 0.40 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1u47 h PRO 460 CO -0.09 0.74 0.02 0.74 -0.23 0.00 0.00 178.00 179.18 1u47 h PHE 461 N 0.99 0.65 -0.56 1.56 -1.00 -1.10 -1.86 116.94 115.63 1u47 h PHE 461 Ca 0.25 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1u47 h PHE 461 Cb 0.06 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 1u47 h PHE 461 CO 0.01 0.70 0.18 -0.07 -1.61 0.00 0.00 178.31 177.52 1u47 h LEU 462 N 0.42 0.76 -0.35 1.54 3.38 -0.77 -1.34 115.31 118.95 1u47 h LEU 462 Ca 0.10 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1u47 h LEU 462 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1u47 h LEU 462 CO 0.01 0.72 0.07 0.44 0.09 0.00 0.00 178.44 179.77 1u47 h ASP 463 N 0.81 0.55 -0.48 -0.43 3.32 -0.83 -0.35 116.42 119.01 1u47 h ASP 463 Ca 0.19 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1u47 h ASP 463 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1u47 h ASP 463 CO -0.01 0.66 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.97 1u47 h GLU 464 N 0.42 0.97 -0.64 3.56 4.81 -1.11 -1.16 114.58 121.42 1u47 h GLU 464 Ca 0.11 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1u47 h GLU 464 Cb 0.33 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1u47 h GLU 464 CO 0.00 1.03 0.42 -0.07 -0.73 0.00 0.00 179.01 179.66 1u47 h LEU 465 N 0.86 0.72 -0.13 1.64 3.38 -1.08 -0.22 115.31 120.48 1u47 h LEU 465 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1u47 h LEU 465 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1u47 h LEU 465 CO 0.05 0.52 0.07 -0.09 0.09 0.00 0.00 178.44 179.08 1u47 h ARG 466 N 0.85 0.15 -0.76 1.13 9.65 -0.75 0.26 114.38 124.92 1u47 h ARG 466 Ca 0.24 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.19 1u47 h ARG 466 Cb -0.07 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.43 1u47 h ARG 466 CO -0.06 0.10 0.50 0.00 2.80 0.00 0.00 179.97 183.30 1u47 h ARG 467 N 0.15 0.74 -0.00 0.20 3.08 -0.71 0.19 114.38 118.03 1u47 h ARG 467 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u47 h ARG 467 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1u47 h ARG 467 CO -0.03 0.49 -0.01 0.09 -1.07 0.00 0.00 179.97 179.44 1u47 n ASN 468 N -4.49 0.06 -2.55 7.04 4.13 -0.14 -4.90 115.26 114.42 1u47 n ASN 468 Ca 0.12 -0.39 -0.18 0.00 1.68 0.00 0.00 54.58 55.81 1u47 n ASN 468 Cb 0.26 -0.20 0.03 0.00 -1.54 0.00 0.00 39.78 38.33 1u47 n ASN 468 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1u47 n GLU 469 N -1.18 -4.34 -0.08 3.52 1.02 0.65 -4.90 120.64 115.33 1u47 n GLU 469 Ca 0.16 0.73 0.03 0.00 -0.02 0.00 0.00 57.16 58.06 1u47 n GLU 469 Cb 0.22 -5.23 0.07 0.00 -0.02 0.00 0.00 31.44 26.48 1u47 n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u47 n GLN 470 N -3.50 2.89 -0.29 3.49 6.02 0.78 -4.71 117.38 122.06 1u47 n GLN 470 Ca -0.08 -1.75 -0.06 0.00 -0.01 0.00 0.00 57.00 55.10 1u47 n GLN 470 Cb 0.59 -1.13 0.06 0.00 1.02 0.00 0.00 30.24 30.79 1u47 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1u47 h ASP 471 N 0.98 1.10 0.50 1.08 2.03 -1.83 -2.27 116.42 118.01 1u47 h ASP 471 Ca 0.00 -0.18 -0.15 0.00 -0.73 0.00 0.00 57.03 55.96 1u47 h ASP 471 Cb 0.61 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 1u47 h ASP 471 CO 0.00 0.99 -0.67 0.03 -1.03 0.00 0.00 179.24 178.56 1u47 h ARG 472 N 1.15 0.15 -0.80 4.15 3.08 -1.92 -2.00 114.38 118.18 1u47 h ARG 472 Ca 0.26 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1u47 h ARG 472 Cb 0.25 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1u47 h ARG 472 CO -0.02 0.76 0.52 1.25 -1.07 0.00 0.00 179.97 181.41 1u47 h LEU 473 N 0.11 0.86 0.25 3.04 5.85 -1.73 0.54 115.31 124.23 1u47 h LEU 473 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1u47 h LEU 473 Cb 1.19 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1u47 h LEU 473 CO 0.10 0.60 -0.12 0.25 -0.34 0.00 0.00 178.44 178.92 1u47 h LEU 474 N 1.01 -0.29 -0.61 2.25 5.85 -1.33 -1.07 115.31 121.13 1u47 h LEU 474 Ca 0.32 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1u47 h LEU 474 Cb -0.01 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1u47 h LEU 474 CO -0.11 0.21 -0.36 0.58 -0.34 0.00 0.00 178.44 178.42 1u47 h VAL 475 N -0.95 1.29 0.00 1.05 2.07 -1.27 -0.70 116.25 117.73 1u47 h VAL 475 Ca -0.03 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1u47 h VAL 475 Cb 0.48 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1u47 h VAL 475 CO 0.06 0.49 -1.37 -0.62 0.02 0.00 0.00 177.57 176.15 1u47 n GLU 476 N -4.05 0.32 0.00 1.57 1.02 0.19 -4.39 120.64 115.29 1u47 n GLU 476 Ca -0.01 -0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1u47 n GLU 476 Cb 0.50 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1u47 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1u47 n LEU 477 N -1.78 0.01 -0.11 -4.62 7.94 -1.02 -4.70 117.00 112.71 1u47 n LEU 477 Ca 0.01 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.82 1u47 n LEU 477 Cb 0.42 -0.05 -0.01 0.00 0.53 0.00 0.00 43.42 44.31 1u47 n LEU 477 CO 0.43 -0.50 0.97 -0.33 -1.11 0.00 0.00 177.39 176.85 1u47 h GLU 478 N -0.00 0.50 -0.28 1.96 4.39 -1.20 -0.89 114.58 119.06 1u47 h GLU 478 Ca 0.00 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1u47 h GLU 478 Cb 0.00 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1u47 h GLU 478 CO 0.00 0.41 -0.00 1.96 -1.16 0.00 0.00 179.01 180.22 1u47 h GLN 479 N 0.45 0.49 -0.43 2.33 4.20 -1.37 -0.08 115.11 120.71 1u47 h GLN 479 Ca 0.13 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1u47 h GLN 479 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1u47 h GLN 479 CO -0.02 0.65 0.04 -1.35 -0.67 0.00 0.00 178.83 177.47 1u47 h PRO 480 N 0.28 0.67 -0.35 1.46 0.11 -1.75 -1.94 132.00 130.47 1u47 h PRO 480 Ca 0.08 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1u47 h PRO 480 Cb 0.43 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1u47 h PRO 480 CO 0.01 0.66 -0.03 1.25 -0.21 0.00 0.00 178.00 179.69 1u47 h LEU 481 N 0.64 0.53 -0.79 2.35 5.85 -0.91 -2.69 115.31 120.29 1u47 h LEU 481 Ca 0.14 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1u47 h LEU 481 Cb 0.35 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1u47 h LEU 481 CO 0.01 0.62 0.45 -1.28 -0.34 0.00 0.00 178.44 177.90 1u47 h SER 482 N 0.53 0.64 -0.05 1.25 0.87 -0.20 0.50 113.55 117.10 1u47 h SER 482 Ca 0.11 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1u47 h SER 482 Cb 0.39 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1u47 h SER 482 CO 0.02 0.37 -0.24 0.28 -0.53 0.00 0.00 176.83 176.73 1u47 h SER 483 N 0.76 0.46 -0.21 6.23 0.02 -1.41 -1.54 113.55 117.87 1u47 h SER 483 Ca 0.38 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1u47 h SER 483 Cb 0.33 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1u47 h SER 483 CO -0.24 0.71 -0.33 0.40 -1.14 0.00 0.00 176.83 176.23 1u47 h ILE 484 N 0.41 1.33 -0.50 3.27 2.04 -1.08 -2.51 117.51 120.47 1u47 h ILE 484 Ca 0.06 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 1u47 h ILE 484 Cb 0.65 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1u47 h ILE 484 CO 0.05 0.48 0.19 -0.07 0.00 0.00 0.00 178.15 178.79 1u47 h LEU 485 N 0.28 0.66 -0.71 1.44 3.38 -0.82 -1.04 115.31 118.50 1u47 h LEU 485 Ca 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1u47 h LEU 485 Cb 0.91 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1u47 h LEU 485 CO 0.08 0.60 0.36 0.00 0.09 0.00 0.00 178.44 179.57 1u47 h ALA 486 N 1.49 0.92 -0.49 1.53 0.00 -1.15 -0.29 119.26 121.27 1u47 h ALA 486 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1u47 h ALA 486 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1u47 h ALA 486 CO -0.01 0.46 -0.14 0.93 0.00 0.00 0.00 179.25 180.49 1u47 h GLU 487 N 0.99 0.96 -0.32 0.00 5.08 -0.94 -1.99 114.58 118.36 1u47 h GLU 487 Ca 0.25 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1u47 h GLU 487 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1u47 h GLU 487 CO -0.03 1.05 0.15 0.52 -1.00 0.00 0.00 179.01 179.69 1u47 h MET 488 N 0.82 0.47 -0.44 2.33 2.86 -0.78 -0.68 114.93 119.51 1u47 h MET 488 Ca 0.12 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1u47 h MET 488 Cb 0.70 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1u47 h MET 488 CO 0.05 0.44 0.11 0.93 1.06 0.00 0.00 176.91 179.50 1u47 h GLU 489 N 0.38 0.70 -0.56 1.72 5.08 -1.05 -2.10 114.58 118.75 1u47 h GLU 489 Ca 0.11 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1u47 h GLU 489 Cb 0.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1u47 h GLU 489 CO -0.01 0.70 0.28 0.35 -1.00 0.00 0.00 179.01 179.33 1u47 h PHE 490 N 0.57 0.80 -0.62 4.33 3.57 -1.22 -2.87 116.94 121.50 1u47 h PHE 490 Ca 0.14 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1u47 h PHE 490 Cb 0.32 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1u47 h PHE 490 CO 0.02 0.61 0.29 0.00 -2.23 0.00 0.00 178.31 177.00 1u47 h ALA 491 N 1.11 0.80 -1.77 2.41 0.00 -1.03 -3.49 119.26 117.29 1u47 h ALA 491 Ca 0.19 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1u47 h ALA 491 Cb 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1u47 h ALA 491 CO -0.03 0.37 -0.37 0.41 0.00 0.00 0.00 179.25 179.64 1u47 n GLY 492 N -0.93 -1.90 3.17 0.00 0.00 -0.80 -4.90 105.19 99.84 1u47 n GLY 492 Ca 0.04 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1u47 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u47 s VAL 493 N -2.08 1.88 0.27 1.61 1.01 -0.52 -4.93 120.40 117.65 1u47 s VAL 493 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1u47 s VAL 493 Cb 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 1u47 s VAL 493 CO 0.00 0.52 1.27 -0.75 0.00 0.00 0.00 175.10 176.14 1u47 s LYS 494 N 0.55 4.42 -0.07 2.72 2.47 -1.25 -1.12 119.74 127.46 1u47 s LYS 494 Ca -0.15 2.08 0.05 0.00 -1.56 0.00 0.00 55.97 56.40 1u47 s LYS 494 Cb -0.17 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.05 1u47 s LYS 494 CO 0.05 -0.15 -0.24 0.08 0.16 0.00 0.00 175.35 175.25 1u47 s VAL 495 N -0.63 2.01 -1.06 4.02 1.01 0.14 -1.93 120.40 123.96 1u47 s VAL 495 Ca 0.51 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1u47 s VAL 495 Cb -0.37 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.42 1u47 s VAL 495 CO 0.45 0.56 1.32 -0.62 0.00 0.00 0.00 175.10 176.81 1u47 s ASP 496 N -0.01 6.75 0.39 3.32 -1.08 0.77 -4.84 116.67 121.96 1u47 s ASP 496 Ca -0.08 -2.25 0.06 0.00 -0.52 0.00 0.00 52.55 49.77 1u47 s ASP 496 Cb -0.15 -2.44 0.77 0.00 -1.46 0.00 0.00 42.92 39.64 1u47 s ASP 496 CO 0.05 -1.06 1.99 0.71 0.52 0.00 0.00 175.17 177.38 1u47 h THR 497 N 5.64 1.14 -0.37 1.71 1.35 -1.91 -1.71 112.91 118.76 1u47 h THR 497 Ca 0.24 -0.43 -0.09 0.00 -0.55 0.00 0.00 66.41 65.58 1u47 h THR 497 Cb 0.97 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 1u47 h THR 497 CO 1.23 0.17 -0.14 0.11 -0.25 0.00 0.00 175.52 176.64 1u47 h LYS 498 N 0.51 0.67 -0.15 4.72 1.57 -1.98 0.19 116.57 122.09 1u47 h LYS 498 Ca 0.13 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1u47 h LYS 498 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1u47 h LYS 498 CO -0.01 0.78 0.02 -0.09 -0.57 0.00 0.00 179.45 179.57 1u47 h ARG 499 N 0.60 0.26 -0.53 3.15 9.65 -1.79 -1.24 114.38 124.48 1u47 h ARG 499 Ca 0.10 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1u47 h ARG 499 Cb 0.58 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 1u47 h ARG 499 CO 0.04 0.45 0.35 -0.07 2.80 0.00 0.00 179.97 183.55 1u47 h LEU 500 N 0.02 0.61 -1.53 3.80 3.38 -0.98 -2.13 115.31 118.48 1u47 h LEU 500 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1u47 h LEU 500 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u47 h LEU 500 CO 0.00 0.44 -0.02 -0.33 0.09 0.00 0.00 178.44 178.63 1u47 h GLU 501 N 0.72 0.28 0.09 1.13 5.08 -0.50 -0.49 114.58 120.89 1u47 h GLU 501 Ca 0.20 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1u47 h GLU 501 Cb -0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1u47 h GLU 501 CO -0.04 0.32 -0.04 0.37 -1.00 0.00 0.00 179.01 178.61 1u47 h GLN 502 N 0.28 -0.12 0.00 2.33 5.75 -0.60 -2.31 115.11 120.44 1u47 h GLN 502 Ca 0.06 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1u47 h GLN 502 Cb 0.22 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1u47 h GLN 502 CO 0.01 0.27 -0.15 0.00 -2.65 0.00 0.00 178.83 176.30 1u47 h MET 503 N -0.53 0.00 -0.78 1.69 -0.00 -1.24 -1.35 114.93 112.72 1u47 h MET 503 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1u47 h MET 503 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.01 1u47 h MET 503 CO 0.02 0.15 0.40 0.78 -0.00 0.00 0.00 176.91 178.27 1u47 h GLY 504 N 0.60 1.17 0.92 -3.00 0.00 -0.83 -0.14 103.07 101.79 1u47 h GLY 504 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1u47 h GLY 504 CO 0.02 0.52 -0.04 0.50 0.00 0.00 0.00 176.54 177.54 1u47 h LYS 505 N 1.09 0.63 -0.03 4.80 1.57 -0.69 -1.52 116.57 122.42 1u47 h LYS 505 Ca 0.27 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1u47 h LYS 505 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1u47 h LYS 505 CO -0.04 0.77 -0.06 0.93 -0.57 0.00 0.00 179.45 180.48 1u47 h GLU 506 N 0.42 -0.09 -0.25 3.15 5.08 -1.00 -1.74 114.58 120.15 1u47 h GLU 506 Ca 0.09 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1u47 h GLU 506 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1u47 h GLU 506 CO 0.02 -0.06 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.89 1u47 h LEU 507 N -0.09 -0.14 -0.89 1.33 -0.00 -0.97 -0.09 115.31 114.45 1u47 h LEU 507 Ca 0.03 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.14 1u47 h LEU 507 Cb 0.14 0.12 -0.10 0.00 -0.00 0.00 0.00 40.66 40.81 1u47 h LEU 507 CO -0.08 -0.04 0.47 0.00 -0.00 0.00 0.00 178.44 178.79 1u47 h ALA 508 N 1.22 1.37 -0.18 1.53 0.00 -0.94 0.55 119.26 122.82 1u47 h ALA 508 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1u47 h ALA 508 Cb 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u47 h ALA 508 CO -0.22 -0.10 -0.08 1.49 0.00 0.00 0.00 179.25 180.34 1u47 h GLU 509 N 0.63 0.37 -0.39 0.00 4.81 -0.45 -1.83 114.58 117.73 1u47 h GLU 509 Ca 0.50 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1u47 h GLU 509 Cb 0.74 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1u47 h GLU 509 CO -0.38 0.67 -0.03 1.96 -0.73 0.00 0.00 179.01 180.50 1u47 h GLN 510 N 0.05 0.63 -0.37 1.92 4.20 0.24 -2.43 115.11 119.35 1u47 h GLN 510 Ca 0.04 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1u47 h GLN 510 Cb 0.56 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1u47 h GLN 510 CO 0.03 0.67 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.75 1u47 h LEU 511 N 0.59 0.68 -1.01 1.46 3.38 0.10 -2.09 115.31 118.41 1u47 h LEU 511 Ca 0.12 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1u47 h LEU 511 Cb 0.42 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1u47 h LEU 511 CO 0.02 0.85 0.65 1.23 0.09 0.00 0.00 178.44 181.28 1u47 h GLY 512 N 0.49 1.55 0.56 0.83 0.00 -0.96 0.43 103.07 105.97 1u47 h GLY 512 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1u47 h GLY 512 CO 0.03 0.30 -0.13 -0.84 0.00 0.00 0.00 176.54 175.90 1u47 h THR 513 N 1.14 0.71 -0.78 4.70 2.02 -1.29 -2.26 112.91 117.15 1u47 h THR 513 Ca 0.45 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1u47 h THR 513 Cb 0.23 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1u47 h THR 513 CO -0.19 0.14 0.51 0.58 0.37 0.00 0.00 175.52 176.93 1u47 h VAL 514 N -0.81 1.12 -0.33 3.16 2.07 -1.16 -0.72 116.25 119.59 1u47 h VAL 514 Ca -0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1u47 h VAL 514 Cb 0.51 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1u47 h VAL 514 CO 0.06 0.17 0.21 -0.08 0.02 0.00 0.00 177.57 177.96 1u47 h GLU 515 N 0.95 0.43 -0.27 1.57 4.81 -0.12 -0.85 114.58 121.11 1u47 h GLU 515 Ca 0.31 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1u47 h GLU 515 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1u47 h GLU 515 CO -0.09 0.29 0.09 1.96 -0.73 0.00 0.00 179.01 180.53 1u47 h GLN 516 N 0.44 0.41 -0.82 1.92 1.08 -0.75 -2.60 115.11 114.78 1u47 h GLN 516 Ca 0.12 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 1u47 h GLN 516 Cb -0.04 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.27 1u47 h GLN 516 CO -0.03 0.47 0.53 -0.09 -0.95 0.00 0.00 178.83 178.77 1u47 h ARG 517 N 0.27 0.74 -0.50 1.46 9.65 -0.90 -1.02 114.38 124.08 1u47 h ARG 517 Ca 0.09 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.84 1u47 h ARG 517 Cb 0.23 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1u47 h ARG 517 CO -0.00 0.49 -0.01 0.82 2.80 0.00 0.00 179.97 184.06 1u47 h ILE 518 N 0.76 1.26 0.00 1.20 2.04 -0.82 -0.69 117.51 121.27 1u47 h ILE 518 Ca 0.38 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 1u47 h ILE 518 Cb 0.45 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1u47 h ILE 518 CO -0.15 0.39 -0.46 1.88 0.00 0.00 0.00 178.15 179.80 1u47 h TYR 519 N 0.75 0.00 -0.25 1.37 0.05 -0.99 -1.72 116.97 116.18 1u47 h TYR 519 Ca 0.14 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.76 1u47 h TYR 519 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1u47 h TYR 519 CO 0.04 0.46 -0.45 1.49 -1.05 0.00 0.00 178.16 178.65 1u47 h GLU 520 N 0.00 0.75 0.00 4.88 4.81 -0.87 -0.18 114.58 123.97 1u47 h GLU 520 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1u47 h GLU 520 Cb 0.83 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1u47 h GLU 520 CO 0.06 1.10 0.00 -0.07 -0.73 0.00 0.00 179.01 179.37 1u47 h LEU 521 N 0.49 0.00 0.00 1.64 3.38 -0.97 -3.11 115.31 116.74 1u47 h LEU 521 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u47 h LEU 521 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1u47 h LEU 521 CO 0.10 0.00 -1.43 0.00 0.09 0.00 0.00 178.44 177.20 1u47 n ALA 522 N -2.09 3.07 -0.78 1.53 0.00 -0.66 -4.94 120.51 116.64 1u47 n ALA 522 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1u47 n ALA 522 Cb 0.42 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1u47 n ALA 522 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u47 n GLY 523 N 1.29 0.92 3.79 0.00 0.00 -0.14 -4.98 105.19 106.07 1u47 n GLY 523 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1u47 n GLY 523 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u47 s GLN 524 N -0.21 1.64 -0.09 1.61 -2.07 -0.80 -5.00 119.66 114.75 1u47 s GLN 524 Ca 0.00 -0.88 -0.05 0.00 -1.82 0.00 0.00 55.36 52.61 1u47 s GLN 524 Cb 0.00 0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 32.46 1u47 s GLN 524 CO 0.00 -0.75 0.14 -1.21 -1.32 0.00 0.00 175.29 172.16 1u47 s GLU 525 N -3.80 3.41 0.27 9.60 2.02 -1.26 -4.35 118.70 124.59 1u47 s GLU 525 Ca 0.10 -0.20 -0.19 0.00 0.02 0.00 0.00 54.97 54.70 1u47 s GLU 525 Cb -0.05 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.06 1u47 s GLU 525 CO 0.04 0.75 0.65 -0.59 0.02 0.00 0.00 175.26 176.13 1u47 s PHE 526 N -1.11 -0.02 -0.99 1.61 -0.71 -1.26 -5.09 117.98 110.41 1u47 s PHE 526 Ca 0.18 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.44 1u47 s PHE 526 Cb -0.12 0.57 0.08 0.00 -1.21 0.00 0.00 43.02 42.33 1u47 s PHE 526 CO 0.08 -1.18 1.35 1.21 -1.34 0.00 0.00 175.22 175.33 1u47 s ASN 527 N -2.95 6.55 0.54 1.98 2.47 -1.26 -4.84 114.94 117.42 1u47 s ASN 527 Ca 0.14 -1.66 0.30 0.00 0.42 0.00 0.00 52.86 52.07 1u47 s ASN 527 Cb -0.04 -2.51 1.46 0.00 -1.45 0.00 0.00 41.25 38.70 1u47 s ASN 527 CO 0.08 -1.36 1.91 0.40 -3.72 0.00 0.00 177.10 174.41 1u47 h ILE 528 N 6.47 0.59 0.00 -5.21 2.04 -1.98 0.44 117.51 119.86 1u47 h ILE 528 Ca 0.19 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1u47 h ILE 528 Cb 1.01 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u47 h ILE 528 CO 1.32 0.00 0.00 0.59 0.00 0.00 0.00 178.15 180.06 1u47 n ASN 529 N -4.29 0.00 -4.29 1.72 4.13 -1.26 -4.50 115.26 106.77 1u47 n ASN 529 Ca 0.16 -0.38 -0.45 0.00 1.68 0.00 0.00 54.58 55.60 1u47 n ASN 529 Cb 0.88 -0.13 -0.05 0.00 -1.54 0.00 0.00 39.78 38.94 1u47 n ASN 529 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1u47 s SER 530 N -2.25 6.15 0.50 6.41 0.15 0.15 -4.91 113.70 119.90 1u47 s SER 530 Ca 0.27 -1.95 0.25 0.00 0.70 0.00 0.00 55.95 55.21 1u47 s SER 530 Cb 0.14 -2.16 1.34 0.00 -1.71 0.00 0.00 66.02 63.63 1u47 s SER 530 CO 0.28 -0.78 1.72 1.55 1.20 0.00 0.00 173.24 177.20 1u47 h PRO 531 N 8.63 0.00 0.13 5.44 0.13 -1.84 0.31 132.00 144.80 1u47 h PRO 531 Ca -0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1u47 h PRO 531 Cb 1.08 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.23 1u47 h PRO 531 CO 0.96 0.00 -0.75 -0.22 -0.23 0.00 0.00 178.00 177.76 1u47 h LYS 532 N 0.00 0.27 -0.12 0.86 3.64 -1.92 -2.56 116.57 116.74 1u47 h LYS 532 Ca 0.00 -0.46 -0.21 0.00 -1.27 0.00 0.00 60.65 58.71 1u47 h LYS 532 Cb 0.48 0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1u47 h LYS 532 CO 0.00 1.22 -0.78 1.96 -2.27 0.00 0.00 179.45 179.58 1u47 h GLN 533 N -0.43 0.66 -0.51 1.90 4.20 -1.13 -3.05 115.11 116.75 1u47 h GLN 533 Ca -0.13 -0.56 -0.02 0.00 0.06 0.00 0.00 58.65 58.01 1u47 h GLN 533 Cb 1.58 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 1u47 h GLN 533 CO 0.13 1.17 0.25 1.25 -0.67 0.00 0.00 178.83 180.97 1u47 h LEU 534 N 0.45 0.65 -0.97 1.46 5.85 -0.64 -2.38 115.31 119.74 1u47 h LEU 534 Ca -0.05 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1u47 h LEU 534 Cb 1.40 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1u47 h LEU 534 CO 0.15 0.59 0.61 1.23 -0.34 0.00 0.00 178.44 180.67 1u47 h GLY 535 N 0.67 1.54 0.96 3.75 0.00 -1.44 0.71 103.07 109.26 1u47 h GLY 535 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1u47 h GLY 535 CO -0.02 0.21 0.12 -2.08 0.00 0.00 0.00 176.54 174.76 1u47 h VAL 536 N 1.01 1.09 -0.01 4.60 2.07 -1.33 0.16 116.25 123.84 1u47 h VAL 536 Ca 0.46 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1u47 h VAL 536 Cb 0.37 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1u47 h VAL 536 CO -0.23 0.09 0.00 0.40 0.02 0.00 0.00 177.57 177.84 1u47 h ILE 537 N 0.23 1.15 0.36 4.57 1.08 -1.01 -1.19 117.51 122.70 1u47 h ILE 537 Ca 0.07 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1u47 h ILE 537 Cb 0.04 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1u47 h ILE 537 CO -0.01 0.12 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.32 1u47 h LEU 538 N -0.17 -0.41 -1.19 1.44 4.07 -0.79 0.17 115.31 118.42 1u47 h LEU 538 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1u47 h LEU 538 Cb 0.19 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1u47 h LEU 538 CO -0.00 -0.04 -0.06 0.49 -1.08 0.00 0.00 178.44 177.75 1u47 n PHE 539 N -5.17 0.00 0.06 1.13 3.72 0.55 -1.09 117.46 116.66 1u47 n PHE 539 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1u47 n PHE 539 Cb 0.28 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1u47 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u47 n GLU 540 N 0.40 0.00 -0.03 -1.08 1.02 -0.70 -4.45 120.64 115.81 1u47 n GLU 540 Ca 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1u47 n GLU 540 Cb 0.43 -0.42 -0.08 0.00 -0.02 0.00 0.00 31.44 31.35 1u47 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1u47 h LYS 541 N 0.00 0.17 -0.01 3.49 3.64 -1.18 -3.18 116.57 119.51 1u47 h LYS 541 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1u47 h LYS 541 Cb 0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1u47 h LYS 541 CO 0.00 0.48 -0.21 1.28 -2.27 0.00 0.00 179.45 178.74 1u47 n LEU 542 N -4.79 0.90 -2.20 5.20 4.77 0.04 -4.96 117.00 115.96 1u47 n LEU 542 Ca -0.07 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 1u47 n LEU 542 Cb 0.23 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1u47 n LEU 542 CO 0.35 0.17 -0.23 0.00 -1.33 0.00 0.00 177.39 176.36 1u47 n GLN 543 N -0.69 -1.72 -1.91 3.23 1.13 -1.19 -4.96 117.38 111.27 1u47 n GLN 543 Ca 0.13 0.96 -0.35 0.00 -1.94 0.00 0.00 57.00 55.80 1u47 n GLN 543 Cb 0.33 -5.54 0.04 0.00 0.11 0.00 0.00 30.24 25.18 1u47 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u47 s LEU 544 N -5.58 3.58 0.46 1.08 1.43 -0.25 -4.96 118.68 114.43 1u47 s LEU 544 Ca 0.00 2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 55.17 1u47 s LEU 544 Cb 0.00 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.56 1u47 s LEU 544 CO 0.00 -1.66 1.11 -2.16 0.23 0.00 0.00 176.35 173.87 1u47 s PRO 545 N -3.54 3.81 -0.49 1.29 0.04 -1.26 -4.55 135.00 130.30 1u47 s PRO 545 Ca 0.75 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 1u47 s PRO 545 Cb -0.28 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 31.98 1u47 s PRO 545 CO 0.35 -0.47 0.64 0.08 0.04 0.00 0.00 177.00 177.64 1u47 s VAL 546 N -1.67 4.85 -0.09 -0.36 1.01 -1.26 -4.90 120.40 117.98 1u47 s VAL 546 Ca 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1u47 s VAL 546 Cb -0.24 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 1u47 s VAL 546 CO 0.29 -0.76 0.48 0.18 0.00 0.00 0.00 175.10 175.29 1u47 n LEU 547 N 6.23 2.00 -3.94 3.92 4.77 -1.26 -4.95 117.00 123.78 1u47 n LEU 547 Ca -0.05 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1u47 n LEU 547 Cb 0.46 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1u47 n LEU 547 CO 0.54 0.69 -0.32 -0.54 -1.33 0.00 0.00 177.39 176.43 1u47 s LYS 548 N -2.57 0.29 -0.06 3.23 -0.14 -1.26 -5.15 119.74 114.07 1u47 s LYS 548 Ca -0.16 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.03 1u47 s LYS 548 Cb 0.07 0.11 0.01 0.00 -1.68 0.00 0.00 37.83 36.34 1u47 s LYS 548 CO 0.79 -0.05 -0.13 -1.59 -0.76 0.00 0.00 175.35 173.61 1u47 s LYS 549 N -1.16 1.68 0.77 1.68 -2.85 -1.26 -3.16 119.74 115.44 1u47 s LYS 549 Ca -0.13 -0.45 -0.12 0.00 -1.00 0.00 0.00 55.97 54.28 1u47 s LYS 549 Cb -0.08 -1.40 0.05 0.00 -2.06 0.00 0.00 37.83 34.34 1u47 s LYS 549 CO -0.00 0.08 1.12 0.95 0.10 0.00 0.00 175.35 177.59 1u47 s THR 550 N 0.50 2.95 0.51 3.79 -4.23 0.14 -4.83 115.64 114.47 1u47 s THR 550 Ca -0.12 0.31 0.23 0.00 -1.18 0.00 0.00 61.69 60.93 1u47 s THR 550 Cb -0.14 -3.23 0.38 0.00 1.34 0.00 0.00 72.50 70.85 1u47 s THR 550 CO 0.03 -0.41 1.99 0.50 -0.54 0.00 0.00 174.62 176.19 1u47 h LYS 551 N -0.91 0.10 0.00 3.99 3.64 -2.01 -2.57 116.57 118.81 1u47 h LYS 551 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1u47 h LYS 551 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1u47 h LYS 551 CO 0.63 0.06 -1.72 -2.37 -2.27 0.00 0.00 179.45 173.78 1u47 n THR 552 N -4.41 0.00 0.00 1.00 5.66 -1.26 -5.10 114.28 110.18 1u47 n THR 552 Ca 0.10 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1u47 n THR 552 Cb 0.57 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1u47 n THR 552 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u47 n GLY 553 N 1.42 -0.85 3.72 1.09 0.00 -0.97 -5.13 105.19 104.48 1u47 n GLY 553 Ca -0.02 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1u47 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u47 s TYR 554 N -2.93 3.48 -0.12 1.61 2.02 -1.26 0.23 117.35 120.38 1u47 s TYR 554 Ca 0.00 1.39 -0.24 0.00 -0.37 0.00 0.00 57.07 57.85 1u47 s TYR 554 Cb 0.00 -3.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 1u47 s TYR 554 CO 0.00 -1.07 0.77 0.45 -1.57 0.00 0.00 175.55 174.13 1u47 s SER 555 N 0.76 6.97 -0.17 2.29 0.15 -1.19 -4.59 113.70 117.93 1u47 s SER 555 Ca 0.56 1.18 0.14 0.00 0.70 0.00 0.00 55.95 58.53 1u47 s SER 555 Cb -0.29 -2.44 0.42 0.00 -1.71 0.00 0.00 66.02 62.01 1u47 s SER 555 CO 0.31 -0.26 1.21 0.35 1.20 0.00 0.00 173.24 176.05 1u47 n THR 556 N 4.28 1.81 -1.08 6.45 -2.24 -1.26 -4.87 114.28 117.37 1u47 n THR 556 Ca 0.02 -2.86 -0.32 0.00 -2.27 0.00 0.00 64.05 58.62 1u47 n THR 556 Cb 0.50 -0.03 0.12 0.00 -2.10 0.00 0.00 70.33 68.82 1u47 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u47 s SER 557 N -3.02 3.86 0.31 3.42 1.04 -1.26 -4.73 113.70 113.32 1u47 s SER 557 Ca 0.38 2.05 0.03 0.00 0.48 0.00 0.00 55.95 58.88 1u47 s SER 557 Cb 0.37 -2.55 0.62 0.00 0.10 0.00 0.00 66.02 64.56 1u47 s SER 557 CO -0.09 -2.47 1.89 0.00 0.98 0.00 0.00 173.24 173.55 1u47 h ALA 558 N -1.26 1.60 -0.54 5.32 0.00 -1.99 -0.98 119.26 121.42 1u47 h ALA 558 Ca -0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1u47 h ALA 558 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1u47 h ALA 558 CO 0.47 0.22 0.21 0.38 0.00 0.00 0.00 179.25 180.53 1u47 h ASP 559 N 0.93 0.71 0.00 0.00 2.03 -2.00 -1.47 116.42 116.62 1u47 h ASP 559 Ca 0.42 -0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1u47 h ASP 559 Cb 0.38 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1u47 h ASP 559 CO -0.18 0.65 -0.00 0.58 -1.03 0.00 0.00 179.24 179.26 1u47 h VAL 560 N 0.77 1.48 -0.92 4.15 2.07 -1.57 -3.29 116.25 118.94 1u47 h VAL 560 Ca 0.18 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.31 1u47 h VAL 560 Cb 0.16 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1u47 h VAL 560 CO -0.02 0.38 0.58 -0.07 0.02 0.00 0.00 177.57 178.46 1u47 h LEU 561 N -0.63 0.90 -1.11 2.57 3.38 -1.15 -1.71 115.31 117.55 1u47 h LEU 561 Ca -0.00 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1u47 h LEU 561 Cb 0.62 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1u47 h LEU 561 CO 0.00 0.56 0.61 -0.33 0.09 0.00 0.00 178.44 179.37 1u47 h GLU 562 N 1.02 0.74 0.00 1.13 5.08 -1.34 0.19 114.58 121.41 1u47 h GLU 562 Ca 0.41 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1u47 h GLU 562 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1u47 h GLU 562 CO -0.19 0.49 0.00 0.87 -1.00 0.00 0.00 179.01 179.18 1u47 h LYS 563 N 0.76 0.00 0.00 2.33 1.57 -1.39 -3.17 116.57 116.68 1u47 h LYS 563 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1u47 h LYS 563 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1u47 h LYS 563 CO -0.30 0.00 -1.06 1.28 -0.57 0.00 0.00 179.45 178.80 1u47 n LEU 564 N -2.86 0.61 -0.28 2.94 4.77 0.47 -4.51 117.00 118.14 1u47 n LEU 564 Ca 0.04 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1u47 n LEU 564 Cb 0.44 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1u47 n LEU 564 CO 0.31 0.03 0.70 0.00 -1.33 0.00 0.00 177.39 177.11 1u47 h ALA 565 N 2.50 0.54 0.00 -1.18 0.00 -0.97 -0.17 119.26 119.98 1u47 h ALA 565 Ca 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1u47 h ALA 565 Cb 0.75 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1u47 h ALA 565 CO 0.00 -0.40 -0.01 -1.00 0.00 0.00 0.00 179.25 177.84 1u47 h PRO 566 N 0.00 0.00 -0.11 0.00 0.13 -1.82 -2.90 132.00 127.31 1u47 h PRO 566 Ca 0.39 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.33 1u47 h PRO 566 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1u47 h PRO 566 CO -0.82 0.01 -0.71 1.88 -0.23 0.00 0.00 178.00 178.12 1u47 h TYR 567 N 0.00 0.66 -2.68 1.56 0.05 -1.33 -3.46 116.97 111.78 1u47 h TYR 567 Ca -0.00 -0.29 -0.11 0.00 0.05 0.00 0.00 58.73 58.39 1u47 h TYR 567 Cb 0.03 -0.11 -0.23 0.00 1.01 0.00 0.00 36.73 37.44 1u47 h TYR 567 CO 0.00 1.05 -0.18 -1.58 -1.05 0.00 0.00 178.16 176.40 1u47 s HIS 568 N -3.69 -0.44 -0.47 4.88 2.46 -1.10 -5.03 115.29 111.90 1u47 s HIS 568 Ca -0.07 1.01 0.20 0.00 0.47 0.00 0.00 55.06 56.67 1u47 s HIS 568 Cb 0.10 0.17 0.93 0.00 -0.13 0.00 0.00 32.58 33.66 1u47 s HIS 568 CO 0.85 -0.30 1.61 -1.91 -2.47 0.00 0.00 174.74 172.52 1u47 n GLU 569 N 2.37 0.14 0.07 2.88 2.13 -1.26 -2.59 120.64 124.37 1u47 n GLU 569 Ca -0.15 0.49 -0.07 0.00 0.66 0.00 0.00 57.16 58.09 1u47 n GLU 569 Cb 0.57 -1.84 0.07 0.00 0.27 0.00 0.00 31.44 30.50 1u47 n GLU 569 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1u47 h ILE 570 N 0.00 1.40 -0.16 6.31 2.10 -1.92 -3.29 117.51 121.94 1u47 h ILE 570 Ca 0.00 -2.12 0.04 0.00 1.08 0.00 0.00 64.86 63.86 1u47 h ILE 570 Cb 0.19 2.10 -0.05 0.00 -1.09 0.00 0.00 36.82 37.97 1u47 h ILE 570 CO 0.00 0.63 -0.12 0.58 -1.08 0.00 0.00 178.15 178.16 1u47 h VAL 571 N 0.21 0.65 -0.79 2.19 2.07 -1.81 -0.16 116.25 118.61 1u47 h VAL 571 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1u47 h VAL 571 Cb 1.23 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1u47 h VAL 571 CO 0.11 0.00 0.52 1.05 0.02 0.00 0.00 177.57 179.27 1u47 h GLU 572 N -0.13 0.93 -0.19 1.57 4.11 -1.76 -1.00 114.58 118.11 1u47 h GLU 572 Ca 0.10 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.34 1u47 h GLU 572 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1u47 h GLU 572 CO -0.24 0.61 -0.46 -0.91 0.07 0.00 0.00 179.01 178.09 1u47 h ASN 573 N 0.95 0.52 -0.25 3.06 2.35 -1.44 -1.47 115.58 119.30 1u47 h ASN 573 Ca 0.32 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 1u47 h ASN 573 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1u47 h ASN 573 CO -0.10 0.90 -0.35 0.40 -1.65 0.00 0.00 177.43 176.63 1u47 h ILE 574 N 0.39 1.28 -0.17 2.81 2.04 -0.26 0.34 117.51 123.95 1u47 h ILE 574 Ca 0.03 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1u47 h ILE 574 Cb 0.95 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1u47 h ILE 574 CO 0.08 0.50 0.05 -0.07 0.00 0.00 0.00 178.15 178.71 1u47 h LEU 575 N 0.65 0.25 -1.27 1.44 3.38 -1.06 0.77 115.31 119.46 1u47 h LEU 575 Ca 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1u47 h LEU 575 Cb 0.90 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1u47 h LEU 575 CO 0.08 0.39 0.18 -0.74 0.09 0.00 0.00 178.44 178.44 1u47 h HIS 576 N 0.09 0.69 -0.34 1.13 2.76 -1.15 -1.63 115.15 116.71 1u47 h HIS 576 Ca 0.05 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1u47 h HIS 576 Cb 0.23 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1u47 h HIS 576 CO 0.00 0.55 -0.01 -0.92 -1.30 0.00 0.00 177.93 176.25 1u47 h TYR 577 N 0.68 0.65 -0.15 5.26 3.20 -0.51 -1.99 116.97 124.11 1u47 h TYR 577 Ca 0.16 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1u47 h TYR 577 Cb 0.15 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1u47 h TYR 577 CO 0.01 0.72 -0.01 0.00 -1.64 0.00 0.00 178.16 177.24 1u47 h ARG 578 N 0.40 0.04 0.24 1.82 -0.00 -0.31 -0.50 114.38 116.06 1u47 h ARG 578 Ca 0.09 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.57 1u47 h ARG 578 Cb 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.41 1u47 h ARG 578 CO 0.02 0.03 -0.31 0.37 0.00 0.00 0.00 179.97 180.08 1u47 h GLN 579 N 0.04 -0.54 -0.62 0.04 4.15 -1.20 0.71 115.11 117.68 1u47 h GLN 579 Ca 0.07 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.62 1u47 h GLN 579 Cb 0.09 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 1u47 h GLN 579 CO -0.13 -0.36 0.24 -0.07 -1.93 0.00 0.00 178.83 176.59 1u47 h LEU 580 N -0.56 0.25 -1.80 -2.39 3.38 -1.34 0.11 115.31 112.96 1u47 h LEU 580 Ca -0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u47 h LEU 580 Cb 0.50 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1u47 h LEU 580 CO -0.08 0.14 -0.02 1.23 0.09 0.00 0.00 178.44 179.80 1u47 h GLY 581 N 0.42 0.09 0.69 0.83 0.00 -0.90 -0.07 103.07 104.15 1u47 h GLY 581 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1u47 h GLY 581 CO -0.31 0.04 -0.02 1.70 0.00 0.00 0.00 176.54 177.95 1u47 h LYS 582 N 0.09 0.15 -0.47 4.80 1.63 0.11 -1.66 116.57 121.21 1u47 h LYS 582 Ca 0.02 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1u47 h LYS 582 Cb 0.11 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1u47 h LYS 582 CO 0.00 0.48 0.16 -0.07 -3.45 0.00 0.00 179.45 176.57 1u47 h LEU 583 N -0.19 0.68 0.10 5.20 3.38 -0.81 -1.27 115.31 122.40 1u47 h LEU 583 Ca 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1u47 h LEU 583 Cb 0.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1u47 h LEU 583 CO 0.01 0.69 -0.05 -0.61 0.09 0.00 0.00 178.44 178.57 1u47 h GLN 584 N 0.63 -0.13 -0.01 1.13 5.75 -1.03 -0.91 115.11 120.53 1u47 h GLN 584 Ca 0.15 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1u47 h GLN 584 Cb 0.25 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1u47 h GLN 584 CO -0.01 0.04 -0.04 0.77 -2.65 0.00 0.00 178.83 176.94 1u47 h SER 585 N -0.27 0.06 0.06 -0.69 0.02 -1.32 0.10 113.55 111.51 1u47 h SER 585 Ca -0.01 -0.61 -0.18 0.00 -0.84 0.00 0.00 61.79 60.15 1u47 h SER 585 Cb 0.23 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1u47 h SER 585 CO 0.02 0.65 -0.93 0.74 -1.14 0.00 0.00 176.83 176.18 1u47 h THR 586 N -0.54 1.27 -0.01 -2.27 2.02 -1.34 -1.01 112.91 111.03 1u47 h THR 586 Ca -0.00 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.82 1u47 h THR 586 Cb 0.65 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1u47 h THR 586 CO 0.01 0.59 -0.61 -1.22 0.37 0.00 0.00 175.52 174.65 1u47 n TYR 587 N -4.25 0.00 0.00 3.16 4.01 -0.66 -3.34 117.16 116.08 1u47 n TYR 587 Ca -0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.52 1u47 n TYR 587 Cb 0.73 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1u47 n TYR 587 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1u47 n ILE 588 N -0.92 0.41 -0.16 -0.72 5.41 -0.44 -4.37 119.36 118.58 1u47 n ILE 588 Ca 0.07 0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.93 1u47 n ILE 588 Cb 0.37 -1.36 -0.00 0.00 -0.71 0.00 0.00 39.64 37.94 1u47 n ILE 588 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1u47 h GLU 589 N -0.10 0.83 -0.49 0.38 5.08 -1.10 -0.93 114.58 118.25 1u47 h GLU 589 Ca 0.00 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1u47 h GLU 589 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1u47 h GLU 589 CO 0.00 0.89 0.02 0.78 -1.00 0.00 0.00 179.01 179.70 1u47 h GLY 590 N 0.68 0.87 0.80 -3.84 0.00 -1.24 -2.31 103.07 98.04 1u47 h GLY 590 Ca 0.13 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1u47 h GLY 590 CO 0.03 0.53 -0.47 -2.00 0.00 0.00 0.00 176.54 174.63 1u47 h LEU 591 N 0.76 0.53 -1.67 3.11 5.85 -1.53 -3.20 115.31 119.16 1u47 h LEU 591 Ca 0.15 -0.67 0.07 0.00 0.84 0.00 0.00 57.88 58.27 1u47 h LEU 591 Cb 0.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1u47 h LEU 591 CO 0.02 1.12 0.34 -0.07 -0.34 0.00 0.00 178.44 179.51 1u47 h LEU 592 N -0.01 0.36 -1.57 2.25 3.38 -1.08 -1.93 115.31 116.70 1u47 h LEU 592 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1u47 h LEU 592 Cb 1.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1u47 h LEU 592 CO 0.10 0.23 -0.21 0.11 0.09 0.00 0.00 178.44 178.75 1u47 h LYS 593 N 0.40 0.00 -0.29 1.13 1.57 -1.41 -3.06 116.57 114.92 1u47 h LYS 593 Ca 0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1u47 h LYS 593 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1u47 h LYS 593 CO -0.06 0.21 0.00 1.33 -0.57 0.00 0.00 179.45 180.37 1u47 n VAL 594 N -4.29 0.41 -2.58 0.50 0.24 -0.74 -4.94 118.33 106.94 1u47 n VAL 594 Ca -0.02 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.34 61.16 1u47 n VAL 594 Cb 0.27 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 1u47 n VAL 594 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u47 s VAL 595 N -1.44 4.04 -0.31 3.34 1.01 -1.12 -4.59 120.40 121.32 1u47 s VAL 595 Ca 0.33 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 1u47 s VAL 595 Cb 0.20 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1u47 s VAL 595 CO 0.28 0.30 1.29 -0.13 0.00 0.00 0.00 175.10 176.83 1u47 s ARG 596 N -0.30 3.91 0.56 2.72 1.81 0.20 -4.90 118.95 122.95 1u47 s ARG 596 Ca 0.48 1.21 0.28 0.00 -1.72 0.00 0.00 55.73 55.99 1u47 s ARG 596 Cb -0.28 -3.88 1.47 0.00 -0.45 0.00 0.00 34.95 31.82 1u47 s ARG 596 CO 0.33 -1.13 1.94 -1.00 -0.68 0.00 0.00 175.30 174.76 1u47 h PRO 597 N 9.27 0.00 0.18 3.54 0.13 -1.93 1.16 132.00 144.34 1u47 h PRO 597 Ca -0.26 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.56 1u47 h PRO 597 Cb 1.09 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.24 1u47 h PRO 597 CO 1.04 0.00 -1.43 0.38 -0.23 0.00 0.00 178.00 177.76 1u47 h ASP 598 N 0.00 0.60 0.00 1.44 2.03 -1.97 -3.37 116.42 115.15 1u47 h ASP 598 Ca 0.26 -0.69 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1u47 h ASP 598 Cb 1.19 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1u47 h ASP 598 CO -0.00 1.55 -0.50 0.35 -1.03 0.00 0.00 179.24 179.60 1u47 n THR 599 N -3.60 0.00 -2.87 1.15 -2.24 -1.00 -4.99 114.28 100.72 1u47 n THR 599 Ca -0.14 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.14 1u47 n THR 599 Cb 1.06 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 70.28 1u47 n THR 599 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u47 n LYS 600 N -1.26 -4.00 -4.28 -0.78 4.76 0.40 -4.86 118.16 108.13 1u47 n LYS 600 Ca 0.02 0.92 -0.27 0.00 -2.87 0.00 0.00 58.31 56.10 1u47 n LYS 600 Cb 0.15 -5.72 -0.09 0.00 -1.84 0.00 0.00 35.03 27.53 1u47 n LYS 600 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1u47 s LYS 601 N -5.54 2.05 -0.07 1.97 1.02 -1.24 -0.68 119.74 117.25 1u47 s LYS 601 Ca 0.23 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1u47 s LYS 601 Cb -0.10 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1u47 s LYS 601 CO 0.28 0.44 -0.06 0.14 -0.92 0.00 0.00 175.35 175.24 1u47 s VAL 602 N -1.63 3.82 -0.48 3.17 -7.23 -0.28 -0.63 120.40 117.14 1u47 s VAL 602 Ca 0.24 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 1u47 s VAL 602 Cb -0.09 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.40 1u47 s VAL 602 CO 0.15 0.60 0.23 -1.00 -0.31 0.00 0.00 175.10 174.77 1u47 s HIS 603 N -0.81 2.94 0.97 2.82 0.09 -1.26 -1.43 115.29 118.61 1u47 s HIS 603 Ca 0.12 -2.97 -0.12 0.00 -0.00 0.00 0.00 55.06 52.09 1u47 s HIS 603 Cb -0.11 -2.60 0.17 0.00 -0.00 0.00 0.00 32.58 30.04 1u47 s HIS 603 CO 0.02 -0.77 1.09 -0.08 -0.00 0.00 0.00 174.74 174.99 1u47 s THR 604 N -0.01 2.33 -0.16 1.30 -1.32 -1.26 -4.68 115.64 111.85 1u47 s THR 604 Ca 0.16 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1u47 s THR 604 Cb -0.25 -2.51 0.02 0.00 -1.51 0.00 0.00 72.50 68.25 1u47 s THR 604 CO -0.01 -0.14 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.48 1u47 s ILE 605 N -2.87 1.65 -0.28 5.08 1.01 -0.75 -4.69 121.20 120.35 1u47 s ILE 605 Ca 0.65 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 1u47 s ILE 605 Cb -0.19 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1u47 s ILE 605 CO 0.58 0.45 0.68 -0.36 0.00 0.00 0.00 174.94 176.29 1u47 s PHE 606 N 1.45 3.25 -0.46 3.97 0.08 -1.26 -1.92 117.98 123.08 1u47 s PHE 606 Ca 0.04 0.77 -0.26 0.00 0.12 0.00 0.00 56.93 57.61 1u47 s PHE 606 Cb -0.13 -2.99 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1u47 s PHE 606 CO -0.11 -0.43 0.96 1.21 -0.10 0.00 0.00 175.22 176.75 1u47 s ASN 607 N 1.54 6.54 0.00 1.36 3.84 -0.14 -4.87 114.94 123.22 1u47 s ASN 607 Ca 0.28 0.23 0.26 0.00 0.21 0.00 0.00 52.86 53.83 1u47 s ASN 607 Cb -0.15 -2.47 0.66 0.00 -0.55 0.00 0.00 41.25 38.74 1u47 s ASN 607 CO 0.10 -1.07 1.52 1.67 -2.79 0.00 0.00 177.10 176.53 1u47 n GLN 608 N 7.25 0.17 -2.65 0.43 7.27 -1.26 -2.54 117.38 126.05 1u47 n GLN 608 Ca 0.07 -0.09 -0.22 0.00 0.07 0.00 0.00 57.00 56.83 1u47 n GLN 608 Cb 0.49 -1.50 -0.00 0.00 2.41 0.00 0.00 30.24 31.64 1u47 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u47 n ALA 609 N -1.33 4.35 0.07 1.69 0.00 -1.26 -4.88 120.51 119.15 1u47 n ALA 609 Ca 0.07 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1u47 n ALA 609 Cb 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1u47 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u47 n LEU 610 N -0.28 0.69 -4.73 0.00 7.94 -1.26 -4.87 117.00 114.49 1u47 n LEU 610 Ca 0.29 0.21 -0.36 0.00 -1.11 0.00 0.00 56.01 55.04 1u47 n LEU 610 Cb 0.66 -0.12 0.07 0.00 0.53 0.00 0.00 43.42 44.56 1u47 n LEU 610 CO 0.31 -0.70 0.86 0.42 -1.11 0.00 0.00 177.39 177.17 1u47 s THR 611 N -2.00 2.20 -1.95 1.96 -4.23 -1.26 -4.92 115.64 105.44 1u47 s THR 611 Ca 0.00 0.11 0.29 0.00 -1.18 0.00 0.00 61.69 60.91 1u47 s THR 611 Cb 0.00 -2.93 0.51 0.00 1.34 0.00 0.00 72.50 71.42 1u47 s THR 611 CO 0.00 -0.03 1.82 0.00 -0.54 0.00 0.00 174.62 175.87 1u47 n GLN 612 N -2.12 1.03 -0.00 3.99 6.02 -1.26 -3.77 117.38 121.27 1u47 n GLN 612 Ca 0.15 -0.45 0.07 0.00 -0.01 0.00 0.00 57.00 56.76 1u47 n GLN 612 Cb 0.49 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 1u47 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u47 n THR 613 N -0.59 0.00 0.00 5.09 -2.24 -1.26 -4.85 114.28 110.43 1u47 n THR 613 Ca 0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1u47 n THR 613 Cb 0.29 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1u47 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u47 n GLY 614 N 1.41 0.39 3.81 3.38 0.00 -1.25 -3.75 105.19 109.18 1u47 n GLY 614 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1u47 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u47 s ARG 615 N -0.88 2.62 0.47 1.61 0.52 -1.26 -4.83 118.95 117.19 1u47 s ARG 615 Ca 0.00 0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1u47 s ARG 615 Cb 0.00 -1.96 -0.00 0.00 0.52 0.00 0.00 34.95 33.51 1u47 s ARG 615 CO 0.00 -1.32 0.70 -0.51 0.02 0.00 0.00 175.30 174.19 1u47 s LEU 616 N -5.67 3.61 0.17 2.53 1.43 -1.26 -4.29 118.68 115.20 1u47 s LEU 616 Ca 0.59 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1u47 s LEU 616 Cb -0.15 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1u47 s LEU 616 CO 0.55 -0.73 -0.12 -0.94 0.23 0.00 0.00 176.35 175.35 1u47 s SER 617 N -4.22 2.09 -0.00 2.29 1.04 -1.05 -4.96 113.70 108.89 1u47 s SER 617 Ca 0.49 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1u47 s SER 617 Cb -0.10 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 1u47 s SER 617 CO 0.39 -0.26 -0.10 -0.55 0.98 0.00 0.00 173.24 173.70 1u47 s SER 618 N -3.19 1.18 0.05 7.02 0.15 -1.26 -0.96 113.70 116.68 1u47 s SER 618 Ca 0.18 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 1u47 s SER 618 Cb 0.01 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1u47 s SER 618 CO 0.03 0.11 -0.00 0.42 1.20 0.00 0.00 173.24 175.00 1u47 s THR 619 N -0.28 0.19 -1.11 6.45 -4.23 -0.81 -4.16 115.64 111.69 1u47 s THR 619 Ca 0.03 -1.55 -0.23 0.00 -1.18 0.00 0.00 61.69 58.76 1u47 s THR 619 Cb -0.04 -1.25 0.02 0.00 1.34 0.00 0.00 72.50 72.57 1u47 s THR 619 CO -0.00 -0.86 0.71 -0.62 -0.54 0.00 0.00 174.62 173.31 1u47 n GLU 620 N 0.40 -0.82 -2.88 3.99 1.02 -1.26 -1.81 120.64 119.28 1u47 n GLU 620 Ca -0.16 0.37 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 1u47 n GLU 620 Cb 0.60 -3.18 0.04 0.00 -0.02 0.00 0.00 31.44 28.88 1u47 n GLU 620 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1u47 s PRO 621 N -6.36 2.47 -0.52 3.49 0.04 -1.26 -4.10 135.00 128.76 1u47 s PRO 621 Ca 0.39 -1.23 -0.24 0.00 0.04 0.00 0.00 61.00 59.96 1u47 s PRO 621 Cb -0.18 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.78 1u47 s PRO 621 CO 0.91 -0.68 0.92 1.21 0.04 0.00 0.00 177.00 179.40 1u47 s ASN 622 N -4.50 6.38 -0.05 6.66 3.84 -1.26 -4.64 114.94 121.37 1u47 s ASN 622 Ca 0.59 -0.24 0.14 0.00 0.21 0.00 0.00 52.86 53.55 1u47 s ASN 622 Cb -0.08 -2.43 0.47 0.00 -0.55 0.00 0.00 41.25 38.66 1u47 s ASN 622 CO 0.37 -1.15 1.36 0.18 -2.79 0.00 0.00 177.10 175.07 1u47 n LEU 623 N 7.29 3.09 -1.13 3.21 7.99 -1.26 -3.98 117.00 132.22 1u47 n LEU 623 Ca 0.03 -1.55 0.10 0.00 -0.01 0.00 0.00 56.01 54.57 1u47 n LEU 623 Cb 0.48 -0.42 0.26 0.00 -0.11 0.00 0.00 43.42 43.63 1u47 n LEU 623 CO 0.63 0.62 0.72 0.00 -1.51 0.00 0.00 177.39 177.85 1u47 n GLN 624 N 0.80 2.66 -1.78 3.23 6.02 -1.26 -4.40 117.38 122.65 1u47 n GLN 624 Ca 0.17 -2.42 0.03 0.00 -0.01 0.00 0.00 57.00 54.78 1u47 n GLN 624 Cb 0.55 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.36 1u47 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u47 n ASN 625 N 1.33 1.11 -4.71 1.08 6.94 -1.26 -5.03 115.26 114.72 1u47 n ASN 625 Ca 0.20 -2.00 -0.42 0.00 -0.02 0.00 0.00 54.58 52.34 1u47 n ASN 625 Cb 0.56 -0.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 1u47 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u47 s ILE 626 N -0.81 3.91 0.43 1.53 -1.09 -1.26 -4.96 121.20 118.95 1u47 s ILE 626 Ca 0.32 1.36 -0.21 0.00 -2.23 0.00 0.00 60.65 59.89 1u47 s ILE 626 Cb 0.37 -3.87 -0.14 0.00 -1.58 0.00 0.00 42.46 37.24 1u47 s ILE 626 CO -0.14 0.09 0.26 -2.65 -1.23 0.00 0.00 174.94 171.27 1u47 n PRO 627 N 4.10 0.22 0.00 2.79 -0.02 -1.26 -4.91 135.00 135.92 1u47 n PRO 627 Ca 0.10 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1u47 n PRO 627 Cb 0.45 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1u47 n PRO 627 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1u47 n ILE 628 N -1.05 0.00 0.27 4.25 3.06 -1.26 -4.22 119.36 120.40 1u47 n ILE 628 Ca 0.11 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.21 1u47 n ILE 628 Cb 0.41 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.51 1u47 n ILE 628 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1u47 h ARG 629 N 0.00 -0.65 -5.84 9.51 2.47 -1.96 -3.43 114.38 114.48 1u47 h ARG 629 Ca 0.00 0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 58.19 1u47 h ARG 629 Cb 0.00 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 1u47 h ARG 629 CO 0.00 -0.36 -0.12 -0.51 0.56 0.00 0.00 179.97 179.54 1u47 s LEU 630 N -9.78 4.33 0.23 3.04 1.43 -1.26 -4.98 118.68 111.69 1u47 s LEU 630 Ca -0.15 0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 1u47 s LEU 630 Cb 0.03 -2.74 0.39 0.00 0.03 0.00 0.00 46.19 43.90 1u47 s LEU 630 CO 0.56 0.05 1.69 -0.08 0.23 0.00 0.00 176.35 178.81 1u47 h GLU 631 N 6.30 0.25 -0.97 1.70 4.57 -1.98 0.13 114.58 124.57 1u47 h GLU 631 Ca -0.43 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 57.83 1u47 h GLU 631 Cb 1.19 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.65 1u47 h GLU 631 CO 0.73 0.17 0.61 0.93 -1.18 0.00 0.00 179.01 180.26 1u47 h GLU 632 N 0.26 1.00 0.06 1.92 5.08 -1.97 -1.65 114.58 119.28 1u47 h GLU 632 Ca 0.38 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.43 1u47 h GLU 632 Cb 0.61 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1u47 h GLU 632 CO -0.48 0.66 -1.13 0.78 -1.00 0.00 0.00 179.01 177.85 1u47 h GLY 633 N 1.03 0.13 1.24 -3.84 0.00 -1.66 -3.29 103.07 96.68 1u47 h GLY 633 Ca 0.45 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1u47 h GLY 633 CO -0.22 0.30 0.39 -0.09 0.00 0.00 0.00 176.54 176.91 1u47 h ARG 634 N 0.03 0.58 0.00 4.80 2.43 0.12 -1.44 114.38 120.90 1u47 h ARG 634 Ca -0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1u47 h ARG 634 Cb 1.86 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 1u47 h ARG 634 CO 0.16 0.38 0.09 0.87 -1.51 0.00 0.00 179.97 179.96 1u47 h LYS 635 N 0.59 0.00 -0.26 0.20 1.57 -1.46 -0.57 116.57 116.65 1u47 h LYS 635 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1u47 h LYS 635 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1u47 h LYS 635 CO -0.07 0.00 0.15 0.82 -0.57 0.00 0.00 179.45 179.78 1u47 h ILE 636 N 0.00 1.08 0.00 1.86 1.08 -1.47 -1.77 117.51 118.29 1u47 h ILE 636 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1u47 h ILE 636 Cb 0.18 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1u47 h ILE 636 CO 0.00 0.09 0.00 0.54 -0.69 0.00 0.00 178.15 178.09 1u47 n ARG 637 N -4.47 0.15 0.16 2.37 1.74 -0.22 -1.35 116.66 115.03 1u47 n ARG 637 Ca 0.01 0.46 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1u47 n ARG 637 Cb 0.09 -1.83 0.52 0.00 -1.02 0.00 0.00 32.46 30.22 1u47 n ARG 637 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1u47 h GLN 638 N 0.00 0.00 0.00 5.56 4.20 -1.50 -2.44 115.11 120.93 1u47 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u47 h GLN 638 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1u47 h GLN 638 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1u47 h ALA 639 N 2.23 1.00 -2.60 3.87 0.00 -1.39 -3.43 119.26 118.95 1u47 h ALA 639 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1u47 h ALA 639 Cb 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.02 1u47 h ALA 639 CO 0.00 0.00 -0.32 -0.06 0.00 0.00 0.00 179.25 178.87 1u47 s PHE 640 N -3.18 3.21 0.32 0.00 0.40 -0.96 -0.17 117.98 117.61 1u47 s PHE 640 Ca 0.09 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1u47 s PHE 640 Cb 0.10 -2.65 -0.06 0.00 0.51 0.00 0.00 43.02 40.92 1u47 s PHE 640 CO 0.59 -0.44 0.01 0.14 0.70 0.00 0.00 175.22 176.21 1u47 s VAL 641 N 1.97 1.48 0.67 -0.44 -7.23 -0.81 -1.10 120.40 114.93 1u47 s VAL 641 Ca 0.11 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1u47 s VAL 641 Cb -0.17 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1u47 s VAL 641 CO 0.12 -0.12 1.21 -2.84 -0.31 0.00 0.00 175.10 173.16 1u47 s PRO 642 N -3.80 2.53 0.00 4.82 0.02 -1.26 -3.74 135.00 133.57 1u47 s PRO 642 Ca 0.33 1.81 0.28 0.00 0.02 0.00 0.00 61.00 63.45 1u47 s PRO 642 Cb 0.07 -1.88 1.29 0.00 0.02 0.00 0.00 34.50 34.01 1u47 s PRO 642 CO 0.14 -1.55 1.94 -1.13 -0.33 0.00 0.00 177.00 176.07 1u47 n SER 643 N -2.19 0.00 -4.00 2.53 3.41 -1.26 -4.80 113.62 107.32 1u47 n SER 643 Ca 0.14 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1u47 n SER 643 Cb 0.50 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 1u47 n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u47 s GLU 644 N -2.84 0.36 0.45 4.33 2.02 -1.26 -5.05 118.70 116.70 1u47 s GLU 644 Ca 0.19 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.24 1u47 s GLU 644 Cb 0.19 0.11 -0.07 0.00 0.10 0.00 0.00 34.13 34.45 1u47 s GLU 644 CO 0.49 -0.05 1.24 -1.54 0.02 0.00 0.00 175.26 175.41 1u47 s SER 645 N -1.66 6.11 -0.79 -0.19 1.04 -1.26 -2.49 113.70 114.46 1u47 s SER 645 Ca -0.13 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1u47 s SER 645 Cb -0.08 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1u47 s SER 645 CO -0.02 -0.97 0.00 0.47 0.98 0.00 0.00 173.24 173.70 1u47 n ASP 646 N -0.30 -4.04 -4.72 7.02 8.00 -1.26 -4.99 116.55 116.25 1u47 n ASP 646 Ca 0.06 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.52 1u47 n ASP 646 Cb 0.46 -2.20 -0.06 0.00 -0.02 0.00 0.00 41.12 39.30 1u47 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u47 s TRP 647 N -2.23 2.84 0.07 1.24 0.52 -1.04 -1.04 118.94 119.31 1u47 s TRP 647 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.92 1u47 s TRP 647 Cb 0.00 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1u47 s TRP 647 CO 0.00 0.54 -0.05 -0.51 0.02 0.00 0.00 176.95 176.95 1u47 s LEU 648 N -3.76 2.49 -0.12 2.99 1.43 0.71 -4.77 118.68 117.64 1u47 s LEU 648 Ca 0.33 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1u47 s LEU 648 Cb -0.06 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1u47 s LEU 648 CO 0.22 -0.52 0.43 -0.63 0.23 0.00 0.00 176.35 176.09 1u47 s ILE 649 N -3.63 5.20 -0.12 -0.59 -1.09 -0.01 -1.52 121.20 119.43 1u47 s ILE 649 Ca 0.08 0.86 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 1u47 s ILE 649 Cb 0.06 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1u47 s ILE 649 CO -0.07 0.36 -0.19 0.12 -1.23 0.00 0.00 174.94 173.93 1u47 s PHE 650 N 0.44 2.37 -0.08 3.97 2.19 -0.03 -0.97 117.98 125.88 1u47 s PHE 650 Ca 0.24 -1.15 0.03 0.00 0.33 0.00 0.00 56.93 56.38 1u47 s PHE 650 Cb -0.15 -1.64 0.01 0.00 -1.31 0.00 0.00 43.02 39.92 1u47 s PHE 650 CO 0.09 -0.54 -0.17 0.00 1.83 0.00 0.00 175.22 176.43 1u47 s ALA 651 N 0.84 1.63 -0.06 11.12 0.00 -0.17 0.05 121.76 135.17 1u47 s ALA 651 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1u47 s ALA 651 Cb -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1u47 s ALA 651 CO -0.01 0.20 -0.15 0.00 0.00 0.00 0.00 175.76 175.80 1u47 s ALA 652 N 0.49 1.41 0.02 0.00 0.00 -0.16 -1.54 121.76 121.98 1u47 s ALA 652 Ca -0.15 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1u47 s ALA 652 Cb -0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1u47 s ALA 652 CO 0.06 0.20 -0.12 0.16 0.00 0.00 0.00 175.76 176.06 1u47 s ASP 653 N 0.34 1.40 0.19 0.00 -4.77 0.46 -0.21 116.67 114.08 1u47 s ASP 653 Ca -0.10 -0.37 -0.30 0.00 -3.30 0.00 0.00 52.55 48.48 1u47 s ASP 653 Cb -0.14 -0.10 -0.08 0.00 -1.09 0.00 0.00 42.92 41.52 1u47 s ASP 653 CO 0.03 0.04 1.19 -0.31 0.70 0.00 0.00 175.17 176.82 1u47 s TYR 654 N -0.70 3.43 -0.35 2.11 2.02 0.14 -0.55 117.35 123.45 1u47 s TYR 654 Ca 0.01 1.43 -0.18 0.00 -0.37 0.00 0.00 57.07 57.96 1u47 s TYR 654 Cb -0.07 -3.42 -0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1u47 s TYR 654 CO 0.01 -1.17 0.52 0.45 -1.57 0.00 0.00 175.55 173.78 1u47 s SER 655 N 0.11 6.32 -1.44 2.29 0.15 0.11 -4.41 113.70 116.83 1u47 s SER 655 Ca 0.53 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 1u47 s SER 655 Cb -0.32 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1u47 s SER 655 CO 0.37 -0.50 0.72 0.00 1.20 0.00 0.00 173.24 175.03 1u47 n GLN 656 N 5.77 -4.50 -0.09 5.44 1.13 -1.26 -4.56 117.38 119.31 1u47 n GLN 656 Ca -0.05 0.53 -0.02 0.00 -1.94 0.00 0.00 57.00 55.53 1u47 n GLN 656 Cb 0.49 -5.10 0.23 0.00 0.11 0.00 0.00 30.24 25.97 1u47 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1u47 h ILE 657 N -1.89 1.21 -0.30 5.09 2.10 -1.92 -1.85 117.51 119.96 1u47 h ILE 657 Ca -0.60 -0.76 -0.01 0.00 1.08 0.00 0.00 64.86 64.56 1u47 h ILE 657 Cb 1.37 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1u47 h ILE 657 CO 0.64 0.28 0.14 -0.33 -1.08 0.00 0.00 178.15 177.80 1u47 h GLU 658 N 0.71 0.43 -0.03 2.19 3.07 -1.89 0.51 114.58 119.57 1u47 h GLU 658 Ca 0.16 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1u47 h GLU 658 Cb 0.28 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1u47 h GLU 658 CO -0.00 0.41 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.49 1u47 h LEU 659 N 0.35 0.07 -0.38 1.33 3.38 -1.91 -1.36 115.31 116.78 1u47 h LEU 659 Ca 0.10 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1u47 h LEU 659 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1u47 h LEU 659 CO -0.01 0.52 -0.34 0.03 0.09 0.00 0.00 178.44 178.72 1u47 h ARG 660 N 0.05 0.91 -0.66 1.13 3.08 -0.98 -1.33 114.38 116.59 1u47 h ARG 660 Ca 0.00 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 1u47 h ARG 660 Cb 0.83 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1u47 h ARG 660 CO 0.06 1.12 0.27 0.28 -1.07 0.00 0.00 179.97 180.63 1u47 h VAL 661 N 0.72 1.24 -0.60 2.04 2.07 -0.66 -1.38 116.25 119.68 1u47 h VAL 661 Ca 0.07 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1u47 h VAL 661 Cb 0.93 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1u47 h VAL 661 CO 0.09 0.30 0.34 0.25 0.02 0.00 0.00 177.57 178.56 1u47 h LEU 662 N 0.93 0.73 -0.90 2.57 5.85 -1.06 0.58 115.31 124.01 1u47 h LEU 662 Ca 0.22 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1u47 h LEU 662 Cb 0.20 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1u47 h LEU 662 CO -0.02 0.60 0.59 0.00 -0.34 0.00 0.00 178.44 179.27 1u47 h ALA 663 N 1.16 1.16 0.26 1.25 0.00 -0.90 0.29 119.26 122.48 1u47 h ALA 663 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1u47 h ALA 663 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1u47 h ALA 663 CO -0.04 0.50 -0.13 1.25 0.00 0.00 0.00 179.25 180.84 1u47 h HIS 664 N 1.18 -0.33 -0.40 0.00 -0.00 -0.60 0.52 115.15 115.53 1u47 h HIS 664 Ca 0.34 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.57 1u47 h HIS 664 Cb -0.08 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1u47 h HIS 664 CO -0.01 -0.04 -0.27 -0.84 -0.00 0.00 0.00 177.93 176.77 1u47 h ILE 665 N -0.60 1.27 0.00 6.26 3.07 -0.73 -3.04 117.51 123.74 1u47 h ILE 665 Ca -0.04 -1.41 0.00 0.00 1.55 0.00 0.00 64.86 64.96 1u47 h ILE 665 Cb 0.43 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1u47 h ILE 665 CO 0.06 0.47 -0.22 0.00 -1.05 0.00 0.00 178.15 177.42 1u47 h ALA 666 N 0.97 0.88 -6.27 0.16 0.00 -1.02 -3.48 119.26 110.52 1u47 h ALA 666 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.54 1u47 h ALA 666 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u47 h ALA 666 CO 0.07 0.00 -0.83 0.39 0.00 0.00 0.00 179.25 178.88 1u47 n GLU 667 N -2.81 -4.55 -2.78 0.00 1.02 0.17 -4.68 120.64 107.00 1u47 n GLU 667 Ca 0.04 0.55 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1u47 n GLU 667 Cb 0.51 -5.08 -0.03 0.00 -0.02 0.00 0.00 31.44 26.82 1u47 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u47 s ASP 668 N -4.10 6.93 0.20 1.62 -1.08 -1.19 -4.87 116.67 114.17 1u47 s ASP 668 Ca 0.17 1.12 -0.10 0.00 -0.52 0.00 0.00 52.55 53.22 1u47 s ASP 668 Cb -0.09 -2.49 0.20 0.00 -1.46 0.00 0.00 42.92 39.09 1u47 s ASP 668 CO 0.84 -0.63 1.81 0.44 0.52 0.00 0.00 175.17 178.15 1u47 h ASP 669 N 7.70 0.53 -0.21 -0.34 3.32 -1.92 -0.31 116.42 125.19 1u47 h ASP 669 Ca -0.21 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1u47 h ASP 669 Cb 1.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1u47 h ASP 669 CO 0.94 0.35 0.02 -1.13 -1.72 0.00 0.00 179.24 177.70 1u47 h ASN 670 N 0.66 0.34 -0.59 6.45 -1.24 -1.92 -1.54 115.58 117.74 1u47 h ASN 670 Ca 0.28 -0.28 -0.08 0.00 0.71 0.00 0.00 56.30 56.92 1u47 h ASN 670 Cb 0.14 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1u47 h ASN 670 CO -0.16 0.53 0.04 0.25 -1.29 0.00 0.00 177.43 176.80 1u47 h LEU 671 N 0.13 0.99 -0.50 0.34 5.85 -1.86 -1.37 115.31 118.89 1u47 h LEU 671 Ca 0.06 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1u47 h LEU 671 Cb 0.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1u47 h LEU 671 CO 0.01 1.03 0.16 0.24 -0.34 0.00 0.00 178.44 179.53 1u47 h MET 672 N 0.91 0.78 -0.81 1.25 2.86 -1.01 -2.48 114.93 116.43 1u47 h MET 672 Ca 0.17 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1u47 h MET 672 Cb 0.50 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1u47 h MET 672 CO 0.02 0.73 0.41 1.49 1.06 0.00 0.00 176.91 180.62 1u47 h GLU 673 N 0.68 1.15 -0.41 1.72 4.57 -1.11 -0.33 114.58 120.85 1u47 h GLU 673 Ca 0.16 -0.15 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1u47 h GLU 673 Cb 0.27 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1u47 h GLU 673 CO -0.01 0.87 0.19 0.00 -1.18 0.00 0.00 179.01 178.88 1u47 h ALA 674 N 1.30 0.51 0.00 2.92 0.00 -0.90 -1.36 119.26 121.73 1u47 h ALA 674 Ca 0.28 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1u47 h ALA 674 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1u47 h ALA 674 CO -0.04 -0.18 -0.68 0.74 0.00 0.00 0.00 179.25 179.10 1u47 h PHE 675 N 0.39 0.00 0.00 0.00 0.04 -1.08 -1.33 116.94 114.95 1u47 h PHE 675 Ca 0.18 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1u47 h PHE 675 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1u47 h PHE 675 CO -0.11 0.68 -0.25 0.00 -0.60 0.00 0.00 178.31 178.02 1u47 h ARG 676 N 0.00 0.00 -0.02 1.51 3.08 -0.59 0.26 114.38 118.62 1u47 h ARG 676 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1u47 h ARG 676 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1u47 h ARG 676 CO 0.09 0.25 -0.10 0.54 -1.07 0.00 0.00 179.97 179.68 1u47 n ARG 677 N -3.87 1.56 -3.87 0.04 1.74 -0.56 -4.95 116.66 106.76 1u47 n ARG 677 Ca -0.02 -1.05 -0.25 0.00 -0.77 0.00 0.00 57.85 55.77 1u47 n ARG 677 Cb 0.34 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1u47 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u47 n ASP 678 N 0.20 -1.10 -4.87 0.55 2.03 0.08 -4.95 116.55 108.48 1u47 n ASP 678 Ca 0.16 -0.92 -0.31 0.00 0.52 0.00 0.00 54.79 54.24 1u47 n ASP 678 Cb 0.41 -3.49 0.01 0.00 -0.72 0.00 0.00 41.12 37.33 1u47 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1u47 s LEU 679 N -6.89 3.28 -0.41 -2.67 1.43 -0.57 -4.96 118.68 107.89 1u47 s LEU 679 Ca 0.09 1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 54.29 1u47 s LEU 679 Cb -0.05 -4.43 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 1u47 s LEU 679 CO 0.86 -0.83 1.61 -0.62 0.23 0.00 0.00 176.35 177.59 1u47 s ASP 680 N -4.12 6.04 0.50 2.29 -1.08 -1.26 -4.85 116.67 114.20 1u47 s ASP 680 Ca 0.55 0.92 0.20 0.00 -0.52 0.00 0.00 52.55 53.69 1u47 s ASP 680 Cb -0.11 -2.53 1.29 0.00 -1.46 0.00 0.00 42.92 40.11 1u47 s ASP 680 CO 0.52 -1.65 2.09 -0.29 0.52 0.00 0.00 175.17 176.36 1u47 h ILE 681 N 6.63 0.89 -0.00 4.11 6.09 -1.93 -1.16 117.51 132.14 1u47 h ILE 681 Ca -0.30 -0.36 -0.26 0.00 -1.37 0.00 0.00 64.86 62.58 1u47 h ILE 681 Cb 1.13 1.20 0.02 0.00 0.47 0.00 0.00 36.82 39.65 1u47 h ILE 681 CO 1.08 0.10 -1.00 0.45 -3.07 0.00 0.00 178.15 175.71 1u47 h HIS 682 N 0.00 1.02 -0.39 2.19 3.86 -1.93 -0.60 115.15 119.30 1u47 h HIS 682 Ca -0.00 -0.55 -0.03 0.00 -1.16 0.00 0.00 60.37 58.63 1u47 h HIS 682 Cb 0.20 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1u47 h HIS 682 CO 0.00 1.39 0.13 1.15 0.86 0.00 0.00 177.93 181.46 1u47 h THR 683 N 0.36 1.21 -0.56 2.45 2.02 -1.83 -1.27 112.91 115.28 1u47 h THR 683 Ca -0.13 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1u47 h THR 683 Cb 1.66 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1u47 h THR 683 CO 0.20 0.24 0.30 0.50 0.37 0.00 0.00 175.52 177.12 1u47 h LYS 684 N 0.48 0.79 -0.78 6.66 1.63 -1.21 -0.59 116.57 123.54 1u47 h LYS 684 Ca 0.13 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1u47 h LYS 684 Cb 0.24 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1u47 h LYS 684 CO -0.01 0.62 0.43 1.15 -3.45 0.00 0.00 179.45 178.19 1u47 h THR 685 N 0.76 1.23 -0.50 1.00 2.02 -0.86 -2.12 112.91 114.44 1u47 h THR 685 Ca 0.20 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1u47 h THR 685 Cb 0.06 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1u47 h THR 685 CO -0.03 0.26 0.05 0.00 0.37 0.00 0.00 175.52 176.17 1u47 h ALA 686 N 1.38 0.67 -0.61 6.16 0.00 -0.71 -0.57 119.26 125.58 1u47 h ALA 686 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1u47 h ALA 686 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1u47 h ALA 686 CO -0.04 0.43 0.35 0.52 0.00 0.00 0.00 179.25 180.51 1u47 h MET 687 N 0.72 0.66 0.01 0.00 2.07 -0.63 -1.04 114.93 116.72 1u47 h MET 687 Ca 0.15 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1u47 h MET 687 Cb 0.45 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 1u47 h MET 687 CO 0.02 0.44 -0.01 -0.44 1.07 0.00 0.00 176.91 177.99 1u47 h ASP 688 N 0.68 -0.01 -0.94 1.22 3.32 -1.24 0.64 116.42 120.10 1u47 h ASP 688 Ca 0.26 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1u47 h ASP 688 Cb 0.09 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1u47 h ASP 688 CO -0.13 0.63 0.61 0.40 -1.72 0.00 0.00 179.24 179.03 1u47 h ILE 689 N -0.67 1.24 -0.03 0.35 2.04 -1.09 -2.90 117.51 116.46 1u47 h ILE 689 Ca -0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1u47 h ILE 689 Cb 0.64 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1u47 h ILE 689 CO 0.00 0.24 -0.04 0.49 0.00 0.00 0.00 178.15 178.84 1u47 n PHE 690 N -4.39 0.00 -3.56 1.37 3.72 -0.40 -4.94 117.46 109.27 1u47 n PHE 690 Ca 0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.32 1u47 n PHE 690 Cb 0.02 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1u47 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1u47 n GLN 691 N 1.19 -5.85 -4.30 -1.08 6.02 0.09 -5.02 117.38 108.43 1u47 n GLN 691 Ca 0.14 0.74 -0.16 0.00 -0.01 0.00 0.00 57.00 57.71 1u47 n GLN 691 Cb 0.58 -5.55 -0.10 0.00 1.02 0.00 0.00 30.24 26.19 1u47 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1u47 s VAL 692 N -3.50 1.27 0.86 5.09 -7.23 -0.45 -5.03 120.40 111.40 1u47 s VAL 692 Ca 0.01 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 1u47 s VAL 692 Cb -0.00 -2.06 0.11 0.00 0.56 0.00 0.00 36.38 34.98 1u47 s VAL 692 CO 0.77 -0.57 1.12 -0.94 -0.31 0.00 0.00 175.10 175.17 1u47 s SER 693 N -3.25 3.96 0.31 4.85 1.04 -1.26 -4.56 113.70 114.79 1u47 s SER 693 Ca 0.22 1.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 1u47 s SER 693 Cb 0.03 -1.72 0.50 0.00 0.10 0.00 0.00 66.02 64.93 1u47 s SER 693 CO 0.05 -2.28 1.96 -0.08 0.98 0.00 0.00 173.24 173.87 1u47 h GLU 694 N -1.31 1.02 0.00 4.02 4.81 -1.97 -1.43 114.58 119.73 1u47 h GLU 694 Ca -0.49 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 1u47 h GLU 694 Cb 1.31 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1u47 h GLU 694 CO 0.61 0.68 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.96 1u47 h ASP 695 N 1.05 0.00 0.39 1.04 3.45 -2.02 -2.69 116.42 117.64 1u47 h ASP 695 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1u47 h ASP 695 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1u47 h ASP 695 CO -0.08 0.17 -0.13 -0.62 -1.57 0.00 0.00 179.24 177.00 1u47 n GLU 696 N -3.71 0.64 -2.42 3.56 1.02 -0.54 -4.83 120.64 114.34 1u47 n GLU 696 Ca -0.02 -0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.46 1u47 n GLU 696 Cb 0.28 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1u47 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u47 s VAL 697 N -2.52 4.21 0.49 2.62 1.01 -1.02 -4.92 120.40 120.27 1u47 s VAL 697 Ca 0.27 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.61 1u47 s VAL 697 Cb 0.20 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1u47 s VAL 697 CO 0.49 -0.32 0.78 0.42 0.00 0.00 0.00 175.10 176.47 1u47 s THR 698 N 4.00 4.48 0.27 3.92 -4.23 -1.26 -4.92 115.64 117.90 1u47 s THR 698 Ca 0.56 -0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1u47 s THR 698 Cb -0.19 -3.71 0.26 0.00 1.34 0.00 0.00 72.50 70.21 1u47 s THR 698 CO 0.19 -0.66 1.83 -0.65 -0.54 0.00 0.00 174.62 174.79 1u47 h PRO 699 N 0.19 0.91 -0.25 3.99 0.11 -2.00 -1.44 132.00 133.51 1u47 h PRO 699 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1u47 h PRO 699 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1u47 h PRO 699 CO 0.61 0.60 -0.30 -0.97 -0.21 0.00 0.00 178.00 177.73 1u47 h ASN 700 N 0.93 0.53 -0.36 -2.05 -1.24 -1.99 -1.15 115.58 110.25 1u47 h ASN 700 Ca 0.47 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 1u47 h ASN 700 Cb 0.46 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1u47 h ASN 700 CO -0.26 0.80 0.13 0.24 -1.29 0.00 0.00 177.43 177.06 1u47 h MET 701 N 0.44 0.54 -0.77 6.67 2.86 -1.68 -1.97 114.93 121.03 1u47 h MET 701 Ca 0.06 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1u47 h MET 701 Cb 0.75 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1u47 h MET 701 CO 0.06 0.54 0.30 -0.09 1.06 0.00 0.00 176.91 178.78 1u47 h ARG 702 N 0.43 1.15 -0.53 1.72 2.43 -1.08 -0.85 114.38 117.65 1u47 h ARG 702 Ca 0.12 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1u47 h ARG 702 Cb 0.21 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1u47 h ARG 702 CO -0.01 0.93 0.35 -0.09 -1.51 0.00 0.00 179.97 179.64 1u47 h ARG 703 N 1.12 0.68 -0.09 0.20 2.43 -0.96 0.86 114.38 118.62 1u47 h ARG 703 Ca 0.26 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1u47 h ARG 703 Cb 0.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1u47 h ARG 703 CO -0.02 0.45 -0.60 1.96 -1.51 0.00 0.00 179.97 180.26 1u47 h GLN 704 N 0.70 0.29 -0.24 0.20 4.20 -1.05 -1.77 115.11 117.45 1u47 h GLN 704 Ca 0.20 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1u47 h GLN 704 Cb -0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1u47 h GLN 704 CO -0.05 0.80 -0.32 0.00 -0.67 0.00 0.00 178.83 178.59 1u47 h ALA 705 N 1.15 1.00 -0.50 3.87 0.00 -0.79 -1.94 119.26 122.05 1u47 h ALA 705 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1u47 h ALA 705 Cb 1.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1u47 h ALA 705 CO 0.10 0.60 -0.02 -0.22 0.00 0.00 0.00 179.25 179.71 1u47 h LYS 706 N 0.43 0.86 -0.40 0.00 3.64 -0.54 -1.75 116.57 118.81 1u47 h LYS 706 Ca 0.05 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.09 1u47 h LYS 706 Cb 0.77 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1u47 h LYS 706 CO 0.06 0.87 -0.14 0.00 -2.27 0.00 0.00 179.45 177.98 1u47 h ALA 707 N 1.18 1.00 -0.42 5.00 0.00 -0.89 0.09 119.26 125.23 1u47 h ALA 707 Ca 0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1u47 h ALA 707 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1u47 h ALA 707 CO 0.03 0.59 -0.07 0.28 0.00 0.00 0.00 179.25 180.08 1u47 h VAL 708 N 0.66 1.27 -0.41 0.00 2.07 -1.04 -0.79 116.25 118.02 1u47 h VAL 708 Ca 0.11 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1u47 h VAL 708 Cb 0.61 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1u47 h VAL 708 CO 0.04 0.39 -0.10 0.78 0.02 0.00 0.00 177.57 178.70 1u47 h ASN 709 N 0.62 0.70 -0.37 0.57 2.35 -1.09 -2.31 115.58 116.04 1u47 h ASN 709 Ca 0.11 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1u47 h ASN 709 Cb 0.59 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1u47 h ASN 709 CO 0.04 0.84 0.18 0.15 -1.65 0.00 0.00 177.43 176.98 1u47 h PHE 710 N 0.65 0.54 0.00 1.19 3.57 -0.73 -0.34 116.94 121.83 1u47 h PHE 710 Ca 0.11 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1u47 h PHE 710 Cb 0.56 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1u47 h PHE 710 CO 0.03 0.46 -0.03 0.78 -2.23 0.00 0.00 178.31 177.32 1u47 h GLY 711 N 0.46 0.00 1.36 2.40 0.00 -0.81 -1.32 103.07 105.17 1u47 h GLY 711 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.15 1u47 h GLY 711 CO -0.02 0.00 -1.43 -2.22 0.00 0.00 0.00 176.54 172.87 1u47 h ILE 712 N 0.00 1.31 -0.38 2.60 2.04 -0.85 0.12 117.51 122.34 1u47 h ILE 712 Ca -0.00 -2.83 -0.07 0.00 1.00 0.00 0.00 64.86 62.97 1u47 h ILE 712 Cb 0.07 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1u47 h ILE 712 CO 0.00 0.85 -0.04 0.58 0.00 0.00 0.00 178.15 179.54 1u47 h VAL 713 N 0.11 1.23 -0.04 1.67 2.07 -0.15 -3.14 116.25 118.00 1u47 h VAL 713 Ca -0.22 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1u47 h VAL 713 Cb 2.07 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1u47 h VAL 713 CO 0.23 0.33 0.00 -1.22 0.02 0.00 0.00 177.57 176.92 1u47 n TYR 714 N -4.23 0.03 -3.62 1.57 4.01 -0.59 -4.69 117.16 109.65 1u47 n TYR 714 Ca 0.02 -0.03 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1u47 n TYR 714 Cb 0.29 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.38 1u47 n TYR 714 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u47 n GLY 715 N 0.68 -0.38 3.83 2.72 0.00 0.29 -4.93 105.19 107.40 1u47 n GLY 715 Ca 0.07 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1u47 n GLY 715 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u47 s ILE 716 N -3.45 4.37 0.90 -0.61 -4.36 -0.44 -4.81 121.20 112.80 1u47 s ILE 716 Ca 0.18 1.17 -0.11 0.00 -0.26 0.00 0.00 60.65 61.63 1u47 s ILE 716 Cb -0.09 -3.64 0.13 0.00 1.25 0.00 0.00 42.46 40.11 1u47 s ILE 716 CO 0.77 -0.62 1.09 -0.94 0.24 0.00 0.00 174.94 175.49 1u47 s SER 717 N -2.92 3.43 0.34 4.36 1.04 -1.26 -4.81 113.70 113.87 1u47 s SER 717 Ca 0.60 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.56 1u47 s SER 717 Cb -0.11 -2.19 0.60 0.00 0.10 0.00 0.00 66.02 64.43 1u47 s SER 717 CO 0.31 -2.67 1.99 -0.78 0.98 0.00 0.00 173.24 173.07 1u47 h ASP 718 N -1.57 0.74 -0.19 7.02 -0.00 -1.97 0.15 116.42 120.60 1u47 h ASP 718 Ca -0.49 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.03 56.44 1u47 h ASP 718 Cb 1.28 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 40.41 1u47 h ASP 718 CO 0.54 0.56 -0.07 0.22 -0.00 0.00 0.00 179.24 180.49 1u47 h TYR 719 N 0.87 0.56 -0.44 0.28 3.20 -1.91 -1.90 116.97 117.62 1u47 h TYR 719 Ca 0.23 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 1u47 h TYR 719 Cb -0.07 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1u47 h TYR 719 CO 0.00 0.59 -0.26 0.78 -1.64 0.00 0.00 178.16 177.63 1u47 h GLY 720 N 0.89 1.03 0.89 1.82 0.00 -1.10 -1.84 103.07 104.76 1u47 h GLY 720 Ca 0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 1u47 h GLY 720 CO 0.02 0.85 0.08 -2.00 0.00 0.00 0.00 176.54 175.49 1u47 h LEU 721 N 0.81 0.33 -0.63 3.11 5.85 -0.80 -0.18 115.31 123.79 1u47 h LEU 721 Ca 0.10 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1u47 h LEU 721 Cb 0.83 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1u47 h LEU 721 CO 0.07 0.43 0.32 0.00 -0.34 0.00 0.00 178.44 178.92 1u47 h ALA 722 N 0.91 0.83 -0.28 1.25 0.00 -1.28 -0.43 119.26 120.27 1u47 h ALA 722 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1u47 h ALA 722 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u47 h ALA 722 CO -0.00 -0.03 0.07 1.96 0.00 0.00 0.00 179.25 181.25 1u47 h GLN 723 N 0.60 0.44 -0.65 0.00 1.08 -1.06 0.19 115.11 115.71 1u47 h GLN 723 Ca 0.29 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1u47 h GLN 723 Cb 0.22 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1u47 h GLN 723 CO -0.20 0.53 0.25 -0.91 -0.95 0.00 0.00 178.83 177.55 1u47 h ASN 724 N 0.28 0.88 -0.22 1.46 2.35 -0.59 -2.40 115.58 117.35 1u47 h ASN 724 Ca 0.09 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1u47 h ASN 724 Cb 0.29 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1u47 h ASN 724 CO 0.00 0.79 0.00 0.18 -1.65 0.00 0.00 177.43 176.76 1u47 n LEU 725 N -4.30 2.46 -3.85 1.61 4.77 -0.21 -4.96 117.00 112.52 1u47 n LEU 725 Ca 0.06 -1.00 -0.28 0.00 -0.03 0.00 0.00 56.01 54.75 1u47 n LEU 725 Cb 0.18 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1u47 n LEU 725 CO 0.40 0.50 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.59 1u47 n ASN 726 N 0.86 -2.30 -3.54 -1.43 5.15 0.45 -4.98 115.26 109.47 1u47 n ASN 726 Ca 0.17 -1.01 -0.22 0.00 -0.60 0.00 0.00 54.58 52.92 1u47 n ASN 726 Cb 0.46 -3.17 -0.07 0.00 -0.53 0.00 0.00 39.78 36.47 1u47 n ASN 726 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1u47 n ILE 727 N -4.35 0.00 -2.90 -1.44 -5.35 0.12 -5.03 119.36 100.42 1u47 n ILE 727 Ca -0.22 -2.33 -0.35 0.00 -0.27 0.00 0.00 62.75 59.58 1u47 n ILE 727 Cb 0.65 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 1u47 n ILE 727 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1u47 s SER 728 N -3.36 7.08 0.47 7.28 1.04 -1.26 -4.45 113.70 120.50 1u47 s SER 728 Ca 0.28 1.64 0.22 0.00 0.48 0.00 0.00 55.95 58.56 1u47 s SER 728 Cb 0.01 -2.51 1.23 0.00 0.10 0.00 0.00 66.02 64.85 1u47 s SER 728 CO 0.19 -0.16 1.90 -0.09 0.98 0.00 0.00 173.24 176.07 1u47 h ARG 729 N 2.68 0.23 -0.37 4.02 1.12 -1.91 0.29 114.38 120.45 1u47 h ARG 729 Ca -0.48 -0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.23 1u47 h ARG 729 Cb 1.19 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 1u47 h ARG 729 CO 0.64 0.15 -0.35 -0.22 -3.11 0.00 0.00 179.97 177.08 1u47 h LYS 730 N 0.24 0.89 -0.16 0.20 3.64 -1.94 -1.66 116.57 117.77 1u47 h LYS 730 Ca 0.40 -0.46 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1u47 h LYS 730 Cb 1.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1u47 h LYS 730 CO -0.09 1.11 -0.48 0.93 -2.27 0.00 0.00 179.45 178.65 1u47 h GLU 731 N 0.69 0.40 -0.73 1.90 5.08 -1.38 -2.42 114.58 118.12 1u47 h GLU 731 Ca 0.06 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1u47 h GLU 731 Cb 0.94 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1u47 h GLU 731 CO 0.09 0.80 0.20 0.00 -1.00 0.00 0.00 179.01 179.09 1u47 h ALA 732 N 1.16 0.96 -0.90 3.43 0.00 -1.05 -2.12 119.26 120.74 1u47 h ALA 732 Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u47 h ALA 732 Cb 0.97 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1u47 h ALA 732 CO 0.08 0.67 0.60 0.00 0.00 0.00 0.00 179.25 180.60 1u47 h ALA 733 N 1.10 1.36 -0.62 0.00 0.00 -0.96 -1.54 119.26 118.59 1u47 h ALA 733 Ca 0.23 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1u47 h ALA 733 Cb 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1u47 h ALA 733 CO -0.00 0.60 0.10 0.93 0.00 0.00 0.00 179.25 180.87 1u47 h GLU 734 N 1.23 1.02 -0.01 0.00 5.08 -0.94 -0.47 114.58 120.49 1u47 h GLU 734 Ca 0.33 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1u47 h GLU 734 Cb -0.14 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1u47 h GLU 734 CO -0.07 0.94 0.01 0.74 -1.00 0.00 0.00 179.01 179.63 1u47 h PHE 735 N 0.96 0.02 -0.47 4.33 0.04 -0.72 -0.11 116.94 120.99 1u47 h PHE 735 Ca 0.19 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.01 1u47 h PHE 735 Cb 0.42 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1u47 h PHE 735 CO 0.03 0.15 0.22 0.82 -0.60 0.00 0.00 178.31 178.93 1u47 h ILE 736 N -0.12 0.93 -0.91 -0.55 2.04 -1.15 0.21 117.51 117.96 1u47 h ILE 736 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1u47 h ILE 736 Cb 0.14 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1u47 h ILE 736 CO -0.00 0.08 0.58 -0.08 0.00 0.00 0.00 178.15 178.73 1u47 h GLU 737 N 0.43 1.22 -0.41 2.37 4.81 -0.93 -0.71 114.58 121.36 1u47 h GLU 737 Ca 0.21 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1u47 h GLU 737 Cb 0.15 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1u47 h GLU 737 CO -0.17 0.83 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.77 1u47 h ARG 738 N 1.24 0.72 -0.47 1.92 9.65 0.16 -2.35 114.38 125.25 1u47 h ARG 738 Ca 0.33 -0.22 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1u47 h ARG 738 Cb -0.10 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 1u47 h ARG 738 CO -0.07 0.79 0.18 -0.92 2.80 0.00 0.00 179.97 182.75 1u47 h TYR 739 N 0.66 0.74 -0.01 2.20 5.03 0.42 -2.76 116.97 123.25 1u47 h TYR 739 Ca 0.12 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.31 1u47 h TYR 739 Cb 0.53 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1u47 h TYR 739 CO 0.03 0.63 -0.28 0.74 -1.32 0.00 0.00 178.16 177.96 1u47 h PHE 740 N 0.63 0.02 -0.44 -3.82 0.04 -0.88 0.03 116.94 112.52 1u47 h PHE 740 Ca 0.16 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 1u47 h PHE 740 Cb 0.22 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1u47 h PHE 740 CO 0.01 0.29 -0.02 0.93 -0.60 0.00 0.00 178.31 178.92 1u47 h GLU 741 N 0.02 0.74 0.01 1.51 5.08 -1.15 -2.29 114.58 118.49 1u47 h GLU 741 Ca 0.00 -0.20 -0.22 0.00 -1.00 0.00 0.00 59.36 57.94 1u47 h GLU 741 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1u47 h GLU 741 CO 0.04 0.77 -1.04 0.77 -1.00 0.00 0.00 179.01 178.54 1u47 h SER 742 N 0.69 0.02 -2.15 1.42 0.02 -1.17 -3.38 113.55 109.01 1u47 h SER 742 Ca 0.13 -0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 60.47 1u47 h SER 742 Cb 0.46 -0.01 -0.41 0.00 0.14 0.00 0.00 62.40 62.58 1u47 h SER 742 CO 0.02 1.02 -0.73 0.49 -1.14 0.00 0.00 176.83 176.49 1u47 n PHE 743 N -3.35 2.67 0.13 3.45 3.72 -0.07 -4.81 117.46 119.20 1u47 n PHE 743 Ca -0.01 -4.00 0.15 0.00 -0.05 0.00 0.00 57.45 53.53 1u47 n PHE 743 Cb 0.95 -0.50 0.68 0.00 -0.94 0.00 0.00 39.48 39.67 1u47 n PHE 743 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1u47 h PRO 744 N 4.03 0.00 -0.65 -1.08 0.13 -1.60 -1.71 132.00 131.12 1u47 h PRO 744 Ca 0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 1u47 h PRO 744 Cb 0.71 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 1u47 h PRO 744 CO 0.74 0.00 0.12 0.78 -0.23 0.00 0.00 178.00 179.41 1u47 h GLY 745 N 0.00 1.15 1.08 1.56 0.00 -1.88 0.58 103.07 105.56 1u47 h GLY 745 Ca 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1u47 h GLY 745 CO -0.00 0.70 0.07 -2.08 0.00 0.00 0.00 176.54 175.23 1u47 h VAL 746 N 0.99 1.27 -0.03 4.60 2.07 -1.60 -0.25 116.25 123.30 1u47 h VAL 746 Ca 0.20 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1u47 h VAL 746 Cb 0.42 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1u47 h VAL 746 CO 0.01 0.41 0.01 0.50 0.02 0.00 0.00 177.57 178.52 1u47 h LYS 747 N 1.02 0.03 -0.47 1.57 1.63 -1.09 -0.49 116.57 118.76 1u47 h LYS 747 Ca 0.19 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1u47 h LYS 747 Cb 0.49 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 1u47 h LYS 747 CO 0.02 0.02 0.19 -0.09 -3.45 0.00 0.00 179.45 176.14 1u47 h ARG 748 N 0.03 0.38 -0.18 1.90 2.43 -0.63 -2.00 114.38 116.30 1u47 h ARG 748 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1u47 h ARG 748 Cb 0.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1u47 h ARG 748 CO -0.01 0.25 0.12 -0.92 -1.51 0.00 0.00 179.97 177.90 1u47 h TYR 749 N 0.39 0.22 -0.82 2.20 3.20 -0.66 0.90 116.97 122.40 1u47 h TYR 749 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1u47 h TYR 749 Cb 0.19 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1u47 h TYR 749 CO -0.14 0.14 0.53 0.52 -1.64 0.00 0.00 178.16 177.57 1u47 h MET 750 N 0.24 0.99 -0.12 1.82 2.86 -0.80 0.28 114.93 120.20 1u47 h MET 750 Ca 0.07 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1u47 h MET 750 Cb -0.02 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 1u47 h MET 750 CO -0.02 0.66 -0.12 0.93 1.06 0.00 0.00 176.91 179.42 1u47 h GLU 751 N 1.02 0.29 -0.51 1.72 5.08 -1.14 -3.00 114.58 118.04 1u47 h GLU 751 Ca 0.33 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1u47 h GLU 751 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1u47 h GLU 751 CO -0.11 0.69 0.05 -0.91 -1.00 0.00 0.00 179.01 177.73 1u47 h ASN 752 N -0.11 0.78 -0.07 1.42 2.35 -0.45 -2.62 115.58 116.88 1u47 h ASN 752 Ca 0.02 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 1u47 h ASN 752 Cb 0.64 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1u47 h ASN 752 CO 0.03 0.81 -0.37 -0.29 -1.65 0.00 0.00 177.43 175.96 1u47 h ILE 753 N 0.77 1.29 -0.33 2.81 6.09 -0.52 -0.84 117.51 126.78 1u47 h ILE 753 Ca 0.16 -1.52 -0.04 0.00 -1.37 0.00 0.00 64.86 62.09 1u47 h ILE 753 Cb 0.40 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1u47 h ILE 753 CO 0.01 0.48 0.06 0.58 -3.07 0.00 0.00 178.15 176.22 1u47 h VAL 754 N 0.48 1.23 -0.77 2.19 2.07 -1.40 0.60 116.25 120.66 1u47 h VAL 754 Ca 0.05 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1u47 h VAL 754 Cb 0.86 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1u47 h VAL 754 CO 0.07 0.26 0.28 1.56 0.02 0.00 0.00 177.57 179.77 1u47 h GLN 755 N 0.38 1.16 -0.66 1.57 7.50 -1.35 -1.66 115.11 122.05 1u47 h GLN 755 Ca 0.10 -0.22 -0.08 0.00 0.50 0.00 0.00 58.65 58.95 1u47 h GLN 755 Cb 0.33 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 1u47 h GLN 755 CO 0.00 0.96 0.10 1.49 -1.50 0.00 0.00 178.83 179.88 1u47 h GLU 756 N 1.12 1.10 -0.47 1.46 4.81 -0.89 -0.33 114.58 121.38 1u47 h GLU 756 Ca 0.25 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1u47 h GLU 756 Cb 0.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1u47 h GLU 756 CO -0.02 1.01 0.09 0.00 -0.73 0.00 0.00 179.01 179.36 1u47 h ALA 757 N 1.07 1.27 -0.21 2.92 0.00 -0.53 -0.23 119.26 123.54 1u47 h ALA 757 Ca 0.20 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1u47 h ALA 757 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u47 h ALA 757 CO 0.01 0.50 -0.63 -0.22 0.00 0.00 0.00 179.25 178.92 1u47 h LYS 758 N 0.69 0.75 -0.04 0.00 3.64 -0.84 0.27 116.57 121.05 1u47 h LYS 758 Ca 0.15 -0.53 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1u47 h LYS 758 Cb 0.30 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1u47 h LYS 758 CO 0.00 1.15 -0.07 0.37 -2.27 0.00 0.00 179.45 178.63 1u47 h GLN 759 N 0.56 0.12 0.00 1.90 -0.00 -0.64 -3.35 115.11 113.69 1u47 h GLN 759 Ca -0.01 -0.07 -0.20 0.00 -0.00 0.00 0.00 58.65 58.37 1u47 h GLN 759 Cb 1.23 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.68 1u47 h GLN 759 CO 0.13 0.63 -1.41 0.87 0.00 0.00 0.00 178.83 179.05 1u47 h LYS 760 N -0.39 0.00 0.00 1.69 1.57 -1.17 -3.48 116.57 114.79 1u47 h LYS 760 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u47 h LYS 760 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1u47 h LYS 760 CO 0.02 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 1u47 n GLY 761 N 1.42 0.58 3.78 3.86 0.00 0.08 -5.04 105.19 109.88 1u47 n GLY 761 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1u47 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u47 s TYR 762 N -2.34 -0.23 0.20 1.61 1.13 -1.20 -1.74 117.35 114.77 1u47 s TYR 762 Ca 0.00 -0.17 0.08 0.00 -1.41 0.00 0.00 57.07 55.57 1u47 s TYR 762 Cb 0.00 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.49 1u47 s TYR 762 CO 0.00 -1.13 -0.16 0.14 -2.51 0.00 0.00 175.55 171.89 1u47 s VAL 763 N -3.81 1.83 0.24 -3.49 -7.23 -0.77 -4.27 120.40 102.91 1u47 s VAL 763 Ca 0.10 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1u47 s VAL 763 Cb -0.05 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1u47 s VAL 763 CO 0.03 -0.49 -0.01 0.42 -0.31 0.00 0.00 175.10 174.75 1u47 s THR 764 N -2.62 1.13 0.51 5.32 -4.23 -1.26 -1.77 115.64 112.73 1u47 s THR 764 Ca 0.21 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1u47 s THR 764 Cb -0.03 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1u47 s THR 764 CO 0.08 -0.30 0.48 0.42 -0.54 0.00 0.00 174.62 174.75 1u47 s THR 765 N -3.35 2.05 0.27 3.99 -4.23 -0.53 -4.45 115.64 109.39 1u47 s THR 765 Ca 0.29 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1u47 s THR 765 Cb 0.06 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.76 1u47 s THR 765 CO 0.09 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.13 1u47 h LEU 766 N 0.71 0.30 -3.17 4.79 5.85 -1.89 0.43 115.31 122.34 1u47 h LEU 766 Ca -0.37 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1u47 h LEU 766 Cb 1.29 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1u47 h LEU 766 CO 0.54 0.04 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 1u47 n LEU 767 N -5.03 5.01 -0.35 2.25 4.77 -1.26 -4.93 117.00 117.46 1u47 n LEU 767 Ca 0.19 -2.54 -0.04 0.00 -0.03 0.00 0.00 56.01 53.59 1u47 n LEU 767 Cb 0.56 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1u47 n LEU 767 CO 0.15 0.62 -0.04 1.41 -1.33 0.00 0.00 177.39 178.19 1u47 n HIS 768 N 0.66 -0.04 -1.93 -1.77 8.25 0.14 -4.72 115.22 115.82 1u47 n HIS 768 Ca 0.24 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.36 1u47 n HIS 768 Cb 1.03 -1.19 0.03 0.00 1.12 0.00 0.00 29.99 30.98 1u47 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u47 s ARG 769 N -2.72 2.95 0.08 -0.41 3.52 -1.26 -4.73 118.95 116.38 1u47 s ARG 769 Ca 0.00 1.54 0.05 0.00 -0.13 0.00 0.00 55.73 57.19 1u47 s ARG 769 Cb 0.00 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 1u47 s ARG 769 CO 0.00 -1.16 -0.14 0.50 -0.81 0.00 0.00 175.30 173.70 1u47 s ARG 770 N -3.73 0.85 -0.07 5.12 3.52 -1.26 -1.45 118.95 121.93 1u47 s ARG 770 Ca 0.71 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1u47 s ARG 770 Cb -0.23 -0.80 0.04 0.00 -1.56 0.00 0.00 34.95 32.39 1u47 s ARG 770 CO 0.36 0.17 0.07 0.50 -0.81 0.00 0.00 175.30 175.58 1u47 s ARG 771 N -1.98 -0.04 0.12 5.12 3.52 -0.73 -4.65 118.95 120.30 1u47 s ARG 771 Ca 0.00 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 1u47 s ARG 771 Cb -0.09 -0.81 -0.06 0.00 -1.56 0.00 0.00 34.95 32.44 1u47 s ARG 771 CO 0.02 -0.41 0.94 0.71 -0.81 0.00 0.00 175.30 175.76 1u47 s TYR 772 N 2.16 3.82 -0.58 5.12 2.02 -1.26 -1.85 117.35 126.79 1u47 s TYR 772 Ca 0.04 1.79 0.06 0.00 -0.37 0.00 0.00 57.07 58.60 1u47 s TYR 772 Cb -0.13 -3.03 0.25 0.00 -0.40 0.00 0.00 41.96 38.65 1u47 s TYR 772 CO -0.04 0.23 0.68 1.28 -1.57 0.00 0.00 175.55 176.13 1u47 n LEU 773 N 2.67 2.82 0.30 -1.29 4.77 -0.71 -4.92 117.00 120.64 1u47 n LEU 773 Ca 0.02 -5.24 0.17 0.00 -0.03 0.00 0.00 56.01 50.92 1u47 n LEU 773 Cb 0.49 -0.33 0.96 0.00 -2.33 0.00 0.00 43.42 42.21 1u47 n LEU 773 CO 0.51 2.05 1.11 1.55 -1.33 0.00 0.00 177.39 181.28 1u47 h PRO 774 N 4.16 0.00 0.00 3.23 0.13 -1.95 -1.48 132.00 136.09 1u47 h PRO 774 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1u47 h PRO 774 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1u47 h PRO 774 CO 0.74 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 1u47 n ASP 775 N -3.54 0.00 0.32 1.44 8.00 -1.26 -3.35 116.55 118.15 1u47 n ASP 775 Ca -0.03 0.13 0.20 0.00 0.71 0.00 0.00 54.79 55.81 1u47 n ASP 775 Cb 0.12 -0.35 1.04 0.00 -0.02 0.00 0.00 41.12 41.91 1u47 n ASP 775 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1u47 h ILE 776 N 0.00 0.07 -0.01 0.53 6.09 -1.55 -2.38 117.51 120.26 1u47 h ILE 776 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1u47 h ILE 776 Cb 0.24 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.69 1u47 h ILE 776 CO 0.00 0.01 -0.50 0.35 -3.07 0.00 0.00 178.15 174.94 1u47 n THR 777 N -3.17 0.00 -1.66 2.19 -2.24 -1.21 -4.94 114.28 103.25 1u47 n THR 777 Ca -0.02 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1u47 n THR 777 Cb 0.14 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 1u47 n THR 777 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1u47 n SER 778 N -0.29 2.27 -0.22 3.42 2.88 -0.89 -4.88 113.62 115.91 1u47 n SER 778 Ca 0.07 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.93 1u47 n SER 778 Cb 0.40 -1.42 0.62 0.00 -0.75 0.00 0.00 64.21 63.06 1u47 n SER 778 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1u47 n ARG 779 N 0.64 1.30 -3.06 -1.46 3.00 -1.26 -4.54 116.66 111.28 1u47 n ARG 779 Ca 0.06 -0.44 -0.42 0.00 -0.01 0.00 0.00 57.85 57.05 1u47 n ARG 779 Cb 0.35 -1.41 -0.06 0.00 0.00 0.00 0.00 32.46 31.34 1u47 n ARG 779 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u47 s ASN 780 N -1.78 6.49 0.18 0.55 3.84 -1.26 -4.97 114.94 117.99 1u47 s ASN 780 Ca 0.36 0.30 -0.21 0.00 0.21 0.00 0.00 52.86 53.52 1u47 s ASN 780 Cb 0.18 -2.35 0.12 0.00 -0.55 0.00 0.00 41.25 38.65 1u47 s ASN 780 CO 0.29 -0.60 1.59 0.15 -2.79 0.00 0.00 177.10 175.74 1u47 h PHE 781 N 8.38 -0.88 0.24 0.43 3.57 -1.99 0.42 116.94 127.11 1u47 h PHE 781 Ca -0.26 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1u47 h PHE 781 Cb 1.11 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1u47 h PHE 781 CO 0.76 -0.37 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.44 1u47 h ASN 782 N -0.17 -0.29 -0.50 0.41 2.35 -1.97 0.11 115.58 115.53 1u47 h ASN 782 Ca 0.22 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1u47 h ASN 782 Cb 0.54 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1u47 h ASN 782 CO -0.65 -0.20 0.31 0.58 -1.65 0.00 0.00 177.43 175.81 1u47 h VAL 783 N -0.33 1.07 -0.18 2.81 2.07 -1.86 -1.72 116.25 118.11 1u47 h VAL 783 Ca -0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1u47 h VAL 783 Cb 0.26 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1u47 h VAL 783 CO 0.05 0.11 0.06 -0.09 0.02 0.00 0.00 177.57 177.72 1u47 h ARG 784 N 0.62 0.27 -0.98 1.57 2.43 -0.79 -2.59 114.38 114.90 1u47 h ARG 784 Ca 0.19 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1u47 h ARG 784 Cb -0.01 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 1u47 h ARG 784 CO -0.07 0.37 0.63 0.66 -1.51 0.00 0.00 179.97 180.05 1u47 h SER 785 N 0.12 0.96 -0.46 -3.80 4.64 -0.57 -0.52 113.55 113.92 1u47 h SER 785 Ca 0.06 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1u47 h SER 785 Cb 0.21 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1u47 h SER 785 CO -0.00 0.57 0.22 0.15 -0.87 0.00 0.00 176.83 176.90 1u47 h PHE 786 N 1.07 0.67 -0.39 4.77 3.57 -1.13 -1.36 116.94 124.13 1u47 h PHE 786 Ca 0.45 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.86 1u47 h PHE 786 Cb 0.31 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1u47 h PHE 786 CO -0.00 0.54 0.01 0.00 -2.23 0.00 0.00 178.31 176.63 1u47 h ALA 787 N 1.06 1.29 -0.45 2.41 0.00 -0.95 -2.21 119.26 120.42 1u47 h ALA 787 Ca 0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1u47 h ALA 787 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1u47 h ALA 787 CO -0.02 0.48 -0.10 0.93 0.00 0.00 0.00 179.25 180.54 1u47 h GLU 788 N 0.59 0.81 -0.02 0.00 5.08 -0.52 -1.23 114.58 119.30 1u47 h GLU 788 Ca 0.12 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1u47 h GLU 788 Cb 0.36 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1u47 h GLU 788 CO 0.01 0.88 -0.48 0.00 -1.00 0.00 0.00 179.01 178.43 1u47 h ARG 789 N 0.74 0.04 -0.15 2.33 3.08 -0.85 -2.18 114.38 117.40 1u47 h ARG 789 Ca 0.12 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1u47 h ARG 789 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1u47 h ARG 789 CO 0.04 0.51 -0.59 0.52 -1.07 0.00 0.00 179.97 179.38 1u47 h MET 790 N 0.04 0.48 -0.50 0.04 2.86 -1.00 0.45 114.93 117.29 1u47 h MET 790 Ca -0.00 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1u47 h MET 790 Cb 0.86 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1u47 h MET 790 CO 0.06 0.93 0.12 0.00 1.06 0.00 0.00 176.91 179.08 1u47 h ALA 791 N 1.00 1.27 -0.01 6.32 0.00 -0.83 0.63 119.26 127.63 1u47 h ALA 791 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1u47 h ALA 791 Cb 1.13 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1u47 h ALA 791 CO 0.11 0.51 -0.38 0.52 0.00 0.00 0.00 179.25 180.01 1u47 h MET 792 N 0.74 0.27 -0.01 0.00 2.07 -1.12 -3.38 114.93 113.49 1u47 h MET 792 Ca 0.16 -0.28 -0.20 0.00 -2.07 0.00 0.00 59.70 57.31 1u47 h MET 792 Cb 0.28 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 1u47 h MET 792 CO -0.00 0.98 -0.86 -0.97 1.07 0.00 0.00 176.91 177.13 1u47 h ASN 793 N -0.33 0.39 -0.55 1.22 -0.73 -0.77 -3.37 115.58 111.43 1u47 h ASN 793 Ca -0.05 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 57.82 1u47 h ASN 793 Cb 1.11 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.56 1u47 h ASN 793 CO 0.08 1.08 0.31 0.74 -0.37 0.00 0.00 177.43 179.26 1u47 h THR 794 N 0.18 1.18 0.00 -3.57 2.02 -1.05 0.20 112.91 111.87 1u47 h THR 794 Ca -0.05 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1u47 h THR 794 Cb 1.48 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1u47 h THR 794 CO 0.14 0.19 -0.07 -0.65 0.37 0.00 0.00 175.52 175.50 1u47 h PRO 795 N 0.74 0.00 0.00 6.66 0.11 -1.76 0.47 132.00 138.22 1u47 h PRO 795 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1u47 h PRO 795 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1u47 h PRO 795 CO -0.03 0.07 -0.07 0.82 -0.21 0.00 0.00 178.00 178.58 1u47 h ILE 796 N 0.00 0.00 -0.58 4.15 2.04 -1.54 -2.78 117.51 118.79 1u47 h ILE 796 Ca -0.00 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1u47 h ILE 796 Cb 0.26 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1u47 h ILE 796 CO 0.01 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.76 1u47 h GLN 797 N -0.80 0.98 -0.55 2.37 1.08 -1.00 -1.71 115.11 115.48 1u47 h GLN 797 Ca 0.00 -0.27 -0.08 0.00 -1.45 0.00 0.00 58.65 56.85 1u47 h GLN 797 Cb 0.07 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1u47 h GLN 797 CO 0.00 0.93 0.05 0.78 -0.95 0.00 0.00 178.83 179.64 1u47 h GLY 798 N 1.01 1.02 1.66 3.46 0.00 -0.14 -1.54 103.07 108.55 1u47 h GLY 798 Ca 0.17 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1u47 h GLY 798 CO 0.02 0.66 -0.45 1.76 0.00 0.00 0.00 176.54 178.53 1u47 h SER 799 N 0.83 0.39 -0.36 0.19 0.02 -1.34 -1.23 113.55 112.05 1u47 h SER 799 Ca 0.16 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1u47 h SER 799 Cb 0.48 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1u47 h SER 799 CO 0.02 0.79 0.03 0.00 -1.14 0.00 0.00 176.83 176.53 1u47 h ALA 800 N 1.23 1.23 -0.44 3.77 0.00 -1.08 -1.70 119.26 122.27 1u47 h ALA 800 Ca 0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1u47 h ALA 800 Cb 0.91 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1u47 h ALA 800 CO 0.08 0.52 -0.19 0.00 0.00 0.00 0.00 179.25 179.65 1u47 h ALA 801 N 1.37 0.62 -0.39 0.00 0.00 -0.78 -2.47 119.26 117.61 1u47 h ALA 801 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1u47 h ALA 801 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1u47 h ALA 801 CO 0.01 0.57 0.21 -0.44 0.00 0.00 0.00 179.25 179.61 1u47 h ASP 802 N 0.74 0.33 -0.12 0.00 3.32 -0.79 -2.06 116.42 117.83 1u47 h ASP 802 Ca 0.10 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1u47 h ASP 802 Cb 0.75 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1u47 h ASP 802 CO 0.06 0.24 0.07 0.40 -1.72 0.00 0.00 179.24 178.29 1u47 h ILE 803 N 0.43 1.08 -0.03 0.35 2.04 -1.22 -1.50 117.51 118.67 1u47 h ILE 803 Ca 0.16 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 1u47 h ILE 803 Cb 0.03 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1u47 h ILE 803 CO -0.09 0.07 -0.36 -0.29 0.00 0.00 0.00 178.15 177.49 1u47 h ILE 804 N 0.11 1.27 -0.50 -0.67 2.10 -1.34 -0.03 117.51 118.45 1u47 h ILE 804 Ca 0.04 -1.26 -0.12 0.00 1.08 0.00 0.00 64.86 64.59 1u47 h ILE 804 Cb 0.06 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1u47 h ILE 804 CO -0.01 0.37 -0.17 0.11 -1.08 0.00 0.00 178.15 177.36 1u47 h LYS 805 N 0.05 1.00 -0.29 2.19 1.57 -1.14 -1.25 116.57 118.70 1u47 h LYS 805 Ca 0.00 -0.41 -0.15 0.00 -1.87 0.00 0.00 60.65 58.23 1u47 h LYS 805 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1u47 h LYS 805 CO 0.05 1.09 -0.41 -0.22 -0.57 0.00 0.00 179.45 179.39 1u47 h LYS 806 N 0.86 0.70 -0.93 3.15 3.64 -0.85 -2.67 116.57 120.47 1u47 h LYS 806 Ca 0.12 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1u47 h LYS 806 Cb 0.75 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 1u47 h LYS 806 CO 0.06 0.98 0.62 0.00 -2.27 0.00 0.00 179.45 178.84 1u47 h ALA 807 N 0.97 1.34 -0.38 5.00 0.00 -0.75 0.10 119.26 125.54 1u47 h ALA 807 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u47 h ALA 807 Cb 0.95 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u47 h ALA 807 CO 0.09 0.62 0.18 0.52 0.00 0.00 0.00 179.25 180.65 1u47 h MET 808 N 1.26 0.54 -0.04 0.00 2.86 -1.00 0.29 114.93 118.85 1u47 h MET 808 Ca 0.34 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1u47 h MET 808 Cb -0.15 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 1u47 h MET 808 CO -0.07 0.49 0.01 0.82 1.06 0.00 0.00 176.91 179.22 1u47 h ILE 809 N 0.47 1.13 -0.85 -1.22 2.04 -1.09 -1.41 117.51 116.57 1u47 h ILE 809 Ca 0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1u47 h ILE 809 Cb 0.12 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1u47 h ILE 809 CO -0.02 0.10 0.50 0.44 0.00 0.00 0.00 178.15 179.18 1u47 h ASP 810 N -0.09 1.04 -0.23 1.72 3.32 -0.66 -2.36 116.42 119.15 1u47 h ASP 810 Ca 0.01 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1u47 h ASP 810 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1u47 h ASP 810 CO -0.00 0.81 0.12 0.25 -1.72 0.00 0.00 179.24 178.70 1u47 h LEU 811 N 1.18 0.29 -1.40 1.55 5.85 -0.24 -1.39 115.31 121.15 1u47 h LEU 811 Ca 0.30 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1u47 h LEU 811 Cb -0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1u47 h LEU 811 CO -0.06 0.30 0.21 0.78 -0.34 0.00 0.00 178.44 179.34 1u47 h ASN 812 N 0.26 0.55 -0.36 1.25 4.21 -1.03 0.56 115.58 121.02 1u47 h ASN 812 Ca 0.08 -0.05 -0.10 0.00 1.21 0.00 0.00 56.30 57.45 1u47 h ASN 812 Cb 0.08 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1u47 h ASN 812 CO -0.01 0.47 -0.16 0.00 -1.29 0.00 0.00 177.43 176.44 1u47 h ALA 813 N 1.62 0.51 -0.56 -0.83 0.00 -1.15 -2.45 119.26 116.40 1u47 h ALA 813 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1u47 h ALA 813 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u47 h ALA 813 CO -0.02 0.42 0.20 0.00 0.00 0.00 0.00 179.25 179.86 1u47 h ARG 814 N 0.54 0.84 -0.93 0.00 2.47 -0.44 -1.27 114.38 115.60 1u47 h ARG 814 Ca 0.08 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1u47 h ARG 814 Cb 0.70 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.84 1u47 h ARG 814 CO 0.05 0.74 0.60 -0.07 0.56 0.00 0.00 179.97 181.85 1u47 h LEU 815 N 0.76 1.08 -0.32 3.04 3.38 -0.88 -1.33 115.31 121.05 1u47 h LEU 815 Ca 0.18 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1u47 h LEU 815 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1u47 h LEU 815 CO -0.01 0.80 -0.11 0.50 0.09 0.00 0.00 178.44 179.71 1u47 h LYS 816 N 1.26 0.63 -0.98 1.13 3.64 -1.17 -1.71 116.57 119.37 1u47 h LYS 816 Ca 0.34 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1u47 h LYS 816 Cb -0.12 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 1u47 h LYS 816 CO -0.07 0.83 0.63 0.93 -2.27 0.00 0.00 179.45 179.50 1u47 h GLU 817 N 0.40 1.31 -0.00 1.90 5.08 -0.92 -1.99 114.58 120.36 1u47 h GLU 817 Ca 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1u47 h GLU 817 Cb 0.62 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1u47 h GLU 817 CO 0.04 0.89 -0.03 0.39 -1.00 0.00 0.00 179.01 179.29 1u47 n GLU 818 N -4.37 0.52 -2.88 2.33 -0.58 -0.53 -4.93 120.64 110.19 1u47 n GLU 818 Ca 0.11 -0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 1u47 n GLU 818 Cb 0.03 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1u47 n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u47 n ARG 819 N -1.19 -4.18 -3.11 3.49 5.12 -0.75 -4.98 116.66 111.06 1u47 n ARG 819 Ca 0.15 0.86 -0.32 0.00 -1.93 0.00 0.00 57.85 56.61 1u47 n ARG 819 Cb 0.24 -5.57 -0.06 0.00 -1.16 0.00 0.00 32.46 25.92 1u47 n ARG 819 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1u47 s LEU 820 N -6.15 4.04 0.09 0.55 1.43 -0.72 -4.96 118.68 112.96 1u47 s LEU 820 Ca 0.24 1.27 0.25 0.00 -1.03 0.00 0.00 54.13 54.87 1u47 s LEU 820 Cb -0.11 -4.08 0.57 0.00 0.03 0.00 0.00 46.19 42.60 1u47 s LEU 820 CO 0.30 -0.22 1.49 0.00 0.23 0.00 0.00 176.35 178.15 1u47 n GLN 821 N -0.45 0.18 -1.68 1.70 6.02 -1.26 -4.79 117.38 117.10 1u47 n GLN 821 Ca 0.03 0.08 -0.39 0.00 -0.01 0.00 0.00 57.00 56.71 1u47 n GLN 821 Cb 0.53 -1.64 0.03 0.00 1.02 0.00 0.00 30.24 30.19 1u47 n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u47 n ALA 822 N -1.70 0.97 -3.06 -1.58 0.00 -1.26 -4.89 120.51 108.98 1u47 n ALA 822 Ca 0.05 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1u47 n ALA 822 Cb 0.40 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 1u47 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u47 s HIS 823 N -1.32 -0.16 0.33 0.00 -3.43 -0.92 -5.00 115.29 104.81 1u47 s HIS 823 Ca 0.68 0.06 -0.28 0.00 -0.80 0.00 0.00 55.06 54.72 1u47 s HIS 823 Cb -0.46 0.13 -0.10 0.00 -1.43 0.00 0.00 32.58 30.72 1u47 s HIS 823 CO 0.52 -0.52 1.22 -0.51 -2.00 0.00 0.00 174.74 173.45 1u47 s LEU 824 N -2.01 4.41 -0.06 5.38 1.43 -1.26 -2.34 118.68 124.23 1u47 s LEU 824 Ca -0.06 2.49 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1u47 s LEU 824 Cb -0.01 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1u47 s LEU 824 CO -0.03 -0.46 -0.08 0.18 0.23 0.00 0.00 176.35 176.20 1u47 n LEU 825 N 0.73 0.86 -3.94 1.79 4.77 0.43 -4.61 117.00 117.04 1u47 n LEU 825 Ca 0.01 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1u47 n LEU 825 Cb 0.44 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1u47 n LEU 825 CO 0.56 0.21 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.96 1u47 s LEU 826 N -6.17 1.35 -0.04 2.23 1.43 -0.87 -4.76 118.68 111.85 1u47 s LEU 826 Ca -0.09 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1u47 s LEU 826 Cb 0.03 0.96 0.02 0.00 0.03 0.00 0.00 46.19 47.24 1u47 s LEU 826 CO 0.11 -0.78 -0.04 -1.58 0.23 0.00 0.00 176.35 174.29 1u47 s GLN 827 N -3.93 0.75 -0.54 1.70 -0.44 -1.26 -1.00 119.66 114.94 1u47 s GLN 827 Ca 0.12 -0.09 0.07 0.00 -2.50 0.00 0.00 55.36 52.95 1u47 s GLN 827 Cb 0.05 -0.77 0.33 0.00 -1.64 0.00 0.00 33.01 30.97 1u47 s GLN 827 CO -0.05 -0.08 0.87 0.28 0.50 0.00 0.00 175.29 176.81 1u47 n VAL 828 N 3.99 2.24 0.00 1.34 0.31 -0.31 -4.88 118.33 121.03 1u47 n VAL 828 Ca -0.25 -5.30 0.00 0.00 -0.01 0.00 0.00 64.34 58.78 1u47 n VAL 828 Cb 0.51 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1u47 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1u47 n HIS 829 N 0.05 0.00 -0.49 3.52 -0.00 -1.26 -3.59 115.22 113.45 1u47 n HIS 829 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 1u47 n HIS 829 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.44 1u47 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1u47 n ASP 830 N 2.31 1.18 -4.02 0.41 5.75 -1.26 -4.83 116.55 116.09 1u47 n ASP 830 Ca 0.00 -1.66 -0.10 0.00 -0.01 0.00 0.00 54.79 53.02 1u47 n ASP 830 Cb 0.00 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 39.96 1u47 n ASP 830 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1u47 s GLU 831 N -0.66 0.43 -0.09 0.11 -1.05 -1.24 -0.69 118.70 115.51 1u47 s GLU 831 Ca 0.01 -0.75 0.03 0.00 -0.15 0.00 0.00 54.97 54.12 1u47 s GLU 831 Cb 0.01 -0.01 -0.01 0.00 -0.44 0.00 0.00 34.13 33.68 1u47 s GLU 831 CO 0.00 -0.03 -0.20 -0.51 0.95 0.00 0.00 175.26 175.48 1u47 s LEU 832 N -1.71 2.37 -0.15 1.83 1.43 0.71 -1.16 118.68 122.00 1u47 s LEU 832 Ca -0.11 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1u47 s LEU 832 Cb -0.08 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1u47 s LEU 832 CO -0.02 0.21 -0.15 -0.63 0.23 0.00 0.00 176.35 175.99 1u47 s ILE 833 N 0.08 2.78 0.36 -0.59 -1.09 -0.17 -0.99 121.20 121.57 1u47 s ILE 833 Ca -0.09 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1u47 s ILE 833 Cb -0.15 -2.17 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 1u47 s ILE 833 CO 0.05 0.52 0.07 -0.76 -1.23 0.00 0.00 174.94 173.59 1u47 s LEU 834 N 0.67 2.15 0.02 2.97 1.02 0.11 -0.43 118.68 125.19 1u47 s LEU 834 Ca -0.07 -1.48 0.01 0.00 0.02 0.00 0.00 54.13 52.61 1u47 s LEU 834 Cb -0.16 -0.34 -0.02 0.00 0.02 0.00 0.00 46.19 45.70 1u47 s LEU 834 CO 0.02 -0.71 -0.04 -1.83 0.02 0.00 0.00 176.35 173.81 1u47 s GLU 835 N -3.84 0.33 0.09 1.70 -1.05 -0.99 -0.85 118.70 114.08 1u47 s GLU 835 Ca 0.31 -0.52 -0.27 0.00 -0.15 0.00 0.00 54.97 54.35 1u47 s GLU 835 Cb 0.07 -0.05 0.08 0.00 -0.44 0.00 0.00 34.13 33.78 1u47 s GLU 835 CO 0.14 -0.00 0.92 0.00 0.95 0.00 0.00 175.26 177.28 1u47 s ALA 836 N -1.10 -1.73 0.57 -0.84 0.00 -0.58 -2.16 121.76 115.93 1u47 s ALA 836 Ca -0.10 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 1u47 s ALA 836 Cb -0.08 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1u47 s ALA 836 CO -0.00 -0.89 1.17 -2.30 0.00 0.00 0.00 175.76 173.74 1u47 n PRO 837 N -0.37 1.27 0.29 0.00 -0.02 -1.26 -0.21 135.00 134.70 1u47 n PRO 837 Ca -0.07 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1u47 n PRO 837 Cb 0.61 -2.37 0.90 0.00 -0.02 0.00 0.00 33.50 32.62 1u47 n PRO 837 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1u47 h LYS 838 N 0.94 0.00 0.00 -0.52 2.10 -1.39 -0.92 116.57 116.78 1u47 h LYS 838 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1u47 h LYS 838 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1u47 h LYS 838 CO 0.54 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.38 1u47 n GLU 839 N -3.89 0.07 0.00 0.07 4.71 -1.26 -2.87 120.64 117.47 1u47 n GLU 839 Ca -0.03 0.30 0.10 0.00 -0.01 0.00 0.00 57.16 57.52 1u47 n GLU 839 Cb 0.09 -1.63 0.01 0.00 -1.01 0.00 0.00 31.44 28.89 1u47 n GLU 839 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u47 n GLU 840 N -1.76 1.48 -0.03 3.49 1.02 -0.35 -4.60 120.64 119.88 1u47 n GLU 840 Ca 0.03 -1.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.04 1u47 n GLU 840 Cb 0.20 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1u47 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1u47 h MET 841 N 2.48 -0.12 -0.71 3.49 2.86 -1.61 -0.67 114.93 120.64 1u47 h MET 841 Ca 0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1u47 h MET 841 Cb 0.71 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.33 1u47 h MET 841 CO 0.00 -0.08 0.37 0.93 1.06 0.00 0.00 176.91 179.19 1u47 h GLU 842 N -0.13 0.63 -0.55 1.72 5.08 -1.82 0.72 114.58 120.22 1u47 h GLU 842 Ca 0.11 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1u47 h GLU 842 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u47 h GLU 842 CO -0.27 0.41 -0.06 0.00 -1.00 0.00 0.00 179.01 178.09 1u47 h ARG 843 N 0.64 1.00 -0.23 2.33 3.08 -1.77 -2.87 114.38 116.56 1u47 h ARG 843 Ca 0.34 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1u47 h ARG 843 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1u47 h ARG 843 CO -0.24 1.01 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.43 1u47 h LEU 844 N 0.90 0.38 -1.97 3.04 3.38 -0.09 -0.03 115.31 120.91 1u47 h LEU 844 Ca 0.15 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1u47 h LEU 844 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1u47 h LEU 844 CO 0.04 0.58 0.19 0.00 0.09 0.00 0.00 178.44 179.34 1u47 n ARG 846 N -4.47 0.67 0.13 0.00 1.74 -0.96 -4.50 116.66 109.27 1u47 n ARG 846 Ca 0.03 0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1u47 n ARG 846 Cb 0.32 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 1u47 n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u47 h LEU 847 N -0.14 -0.29 0.31 0.55 6.46 -0.79 -3.11 115.31 118.30 1u47 h LEU 847 Ca -0.53 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.02 1u47 h LEU 847 Cb 1.88 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.87 1u47 h LEU 847 CO -0.08 0.07 -0.26 0.58 -0.62 0.00 0.00 178.44 178.13 1u47 h VAL 848 N -0.67 0.46 -0.94 1.05 2.07 -1.42 -1.60 116.25 115.21 1u47 h VAL 848 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1u47 h VAL 848 Cb 0.47 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1u47 h VAL 848 CO 0.06 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.60 1u47 h PRO 849 N -0.58 1.11 0.03 1.57 0.11 -1.76 -1.23 132.00 131.25 1u47 h PRO 849 Ca -0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1u47 h PRO 849 Cb 0.51 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1u47 h PRO 849 CO -0.02 0.74 -0.03 1.49 -0.21 0.00 0.00 178.00 179.97 1u47 h GLU 850 N 1.15 -0.06 -0.46 1.05 4.81 -1.43 0.32 114.58 119.96 1u47 h GLU 850 Ca 0.38 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1u47 h GLU 850 Cb 0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1u47 h GLU 850 CO -0.14 -0.04 0.29 0.28 -0.73 0.00 0.00 179.01 178.68 1u47 h VAL 851 N -0.06 1.09 -0.58 0.32 2.07 -0.99 -0.41 116.25 117.69 1u47 h VAL 851 Ca 0.00 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1u47 h VAL 851 Cb 0.06 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1u47 h VAL 851 CO -0.01 0.11 -0.01 0.24 0.02 0.00 0.00 177.57 177.92 1u47 h MET 852 N 0.60 1.02 0.00 1.57 2.86 -0.98 -2.12 114.93 117.88 1u47 h MET 852 Ca 0.18 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1u47 h MET 852 Cb -0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1u47 h MET 852 CO -0.05 1.01 -0.25 0.93 1.06 0.00 0.00 176.91 179.60 1u47 h GLU 853 N 0.93 0.00 -0.38 1.72 5.08 -0.06 -3.17 114.58 118.70 1u47 h GLU 853 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u47 h GLU 853 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1u47 h GLU 853 CO 0.03 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.33 1u47 n GLN 854 N -3.37 2.42 -0.28 2.33 1.13 -0.19 -4.55 117.38 114.86 1u47 n GLN 854 Ca 0.00 -2.22 0.08 0.00 -1.94 0.00 0.00 57.00 52.92 1u47 n GLN 854 Cb 0.46 -1.48 0.23 0.00 0.11 0.00 0.00 30.24 29.57 1u47 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u47 h ALA 855 N 4.10 1.19 -2.50 -1.58 0.00 -1.36 -3.43 119.26 115.68 1u47 h ALA 855 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1u47 h ALA 855 Cb 0.93 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1u47 h ALA 855 CO 0.00 -0.24 -0.61 0.14 0.00 0.00 0.00 179.25 178.53 1u47 s VAL 856 N -5.98 0.06 -0.23 0.00 -7.23 -1.26 -4.91 120.40 100.86 1u47 s VAL 856 Ca -0.12 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1u47 s VAL 856 Cb 0.22 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.98 1u47 s VAL 856 CO 0.77 -0.28 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.28 1u47 s THR 857 N -4.09 2.56 0.48 5.32 2.01 -1.26 -4.98 115.64 115.68 1u47 s THR 857 Ca 0.29 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1u47 s THR 857 Cb 0.07 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1u47 s THR 857 CO 0.06 0.29 0.31 -0.76 -0.69 0.00 0.00 174.62 173.82 1u47 s LEU 858 N 1.29 2.92 0.03 4.42 1.43 -1.26 -5.01 118.68 122.51 1u47 s LEU 858 Ca 0.01 -1.13 0.16 0.00 -1.03 0.00 0.00 54.13 52.14 1u47 s LEU 858 Cb -0.16 -1.39 0.70 0.00 0.03 0.00 0.00 46.19 45.37 1u47 s LEU 858 CO -0.07 -0.84 1.52 0.54 0.23 0.00 0.00 176.35 177.73 1u47 n ARG 859 N -1.54 0.02 -4.26 1.70 1.74 -1.26 -4.67 116.66 108.39 1u47 n ARG 859 Ca -0.02 0.25 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 1u47 n ARG 859 Cb 0.64 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1u47 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u47 s VAL 860 N -3.03 1.33 0.73 1.55 -7.23 -1.26 -5.03 120.40 107.45 1u47 s VAL 860 Ca 0.07 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1u47 s VAL 860 Cb 0.10 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.33 1u47 s VAL 860 CO 0.30 -0.59 1.10 -2.84 -0.31 0.00 0.00 175.10 172.76 1u47 s PRO 861 N -3.28 2.47 -0.09 4.82 0.02 -1.26 -5.04 135.00 132.64 1u47 s PRO 861 Ca 0.14 1.25 -0.02 0.00 0.02 0.00 0.00 61.00 62.40 1u47 s PRO 861 Cb -0.01 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1u47 s PRO 861 CO 0.03 -1.49 0.00 -0.51 -0.33 0.00 0.00 177.00 174.70 1u47 s LEU 862 N -5.51 3.59 -0.05 -5.54 1.43 -1.26 -5.02 118.68 106.33 1u47 s LEU 862 Ca 0.63 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1u47 s LEU 862 Cb -0.18 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1u47 s LEU 862 CO 0.50 0.37 -0.20 -0.75 0.23 0.00 0.00 176.35 176.50 1u47 s LYS 863 N -0.83 2.03 -0.10 1.70 2.20 -1.26 -4.82 119.74 118.66 1u47 s LYS 863 Ca 0.13 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1u47 s LYS 863 Cb -0.11 -1.75 0.01 0.00 -1.51 0.00 0.00 37.83 34.47 1u47 s LYS 863 CO 0.02 0.30 -0.16 0.08 -0.36 0.00 0.00 175.35 175.23 1u47 s VAL 864 N -0.05 1.51 0.09 4.02 1.01 -1.26 0.08 120.40 125.80 1u47 s VAL 864 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1u47 s VAL 864 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1u47 s VAL 864 CO 0.03 0.44 0.18 -1.81 0.00 0.00 0.00 175.10 173.93 1u47 s ASP 865 N 0.78 6.04 0.04 3.32 1.01 0.29 -4.91 116.67 123.24 1u47 s ASP 865 Ca -0.11 0.14 -0.11 0.00 0.71 0.00 0.00 52.55 53.18 1u47 s ASP 865 Cb -0.16 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 42.01 1u47 s ASP 865 CO 0.02 0.14 0.23 -0.72 0.21 0.00 0.00 175.17 175.05 1u47 s TYR 866 N -1.53 0.01 0.18 4.23 -0.85 -1.26 -0.41 117.35 117.72 1u47 s TYR 866 Ca 0.33 -0.19 -0.16 0.00 -0.52 0.00 0.00 57.07 56.53 1u47 s TYR 866 Cb -0.12 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.25 1u47 s TYR 866 CO 0.26 -0.45 0.47 -1.01 -1.52 0.00 0.00 175.55 173.30 1u47 s HIS 867 N -2.51 -0.04 0.02 -3.49 0.09 -0.59 -5.02 115.29 103.76 1u47 s HIS 867 Ca -0.05 -0.30 -0.17 0.00 -0.00 0.00 0.00 55.06 54.53 1u47 s HIS 867 Cb -0.01 0.30 0.03 0.00 -0.00 0.00 0.00 32.58 32.90 1u47 s HIS 867 CO -0.03 -0.86 0.38 1.52 -0.00 0.00 0.00 174.74 175.75 1u47 s TYR 868 N -3.88 -0.23 0.07 1.40 -0.85 -1.26 -1.00 117.35 111.60 1u47 s TYR 868 Ca 0.10 0.23 -0.10 0.00 -0.52 0.00 0.00 57.07 56.78 1u47 s TYR 868 Cb 0.00 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.55 1u47 s TYR 868 CO -0.04 -0.52 0.48 0.41 -1.52 0.00 0.00 175.55 174.37 1u47 n GLY 869 N 0.73 0.93 0.21 5.49 0.00 -0.14 -4.45 105.19 107.95 1u47 n GLY 869 Ca -0.19 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 44.89 1u47 n GLY 869 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u47 h SER 870 N 0.90 0.00 -5.33 1.61 0.02 -1.87 0.02 113.55 108.90 1u47 h SER 870 Ca -0.12 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 1u47 h SER 870 Cb 0.55 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.94 1u47 h SER 870 CO 0.16 0.30 -0.62 0.42 -1.14 0.00 0.00 176.83 175.95 1u47 s THR 871 N -3.79 0.13 0.30 -2.27 -4.23 -1.26 -4.23 115.64 100.30 1u47 s THR 871 Ca -0.01 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1u47 s THR 871 Cb 0.12 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.71 1u47 s THR 871 CO 0.66 -0.03 1.97 -0.25 -0.54 0.00 0.00 174.62 176.43 1u47 h TRP 872 N 2.58 1.00 -0.87 3.99 7.01 -1.07 -1.63 115.95 126.97 1u47 h TRP 872 Ca -0.36 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.66 1u47 h TRP 872 Cb 1.25 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 1u47 h TRP 872 CO 0.38 0.64 0.58 -0.92 -2.79 0.00 0.00 178.44 176.33 1u47 h TYR 873 N 1.08 1.10 0.00 2.65 5.03 -1.72 -2.42 116.97 122.68 1u47 h TYR 873 Ca 0.29 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.62 1u47 h TYR 873 Cb -0.10 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 37.81 1u47 h TYR 873 CO 0.00 0.69 0.00 -0.44 -1.32 0.00 0.00 178.16 177.09 1u47 h ASP 874 N 1.18 0.00 0.00 -2.11 3.32 -1.63 -3.35 116.42 113.83 1u47 h ASP 874 Ca 0.32 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.74 1u47 h ASP 874 Cb -0.14 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.43 1u47 h ASP 874 CO -0.07 0.00 3.52 0.00 -1.72 0.00 0.00 179.24 180.97 1u47 n ALA 875 N -1.88 6.71 -0.69 3.45 0.00 -0.91 -4.26 120.51 122.93 1u47 n ALA 875 Ca 0.04 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.17 1u47 n ALA 875 Cb 0.42 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1u47 n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86