#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u48 n ALA 298 N 0.00 -2.81 -2.80 0.00 0.00 -1.26 -4.97 120.51 108.68 1u48 n ALA 298 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 1u48 n ALA 298 Cb 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 19.45 17.81 1u48 n ALA 298 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u48 s MET 299 N -1.95 3.71 0.20 0.00 1.75 -1.26 -5.08 119.30 116.67 1u48 s MET 299 Ca 0.58 -0.29 -0.30 0.00 -1.25 0.00 0.00 55.69 54.43 1u48 s MET 299 Cb -0.38 -3.16 -0.08 0.00 2.84 0.00 0.00 34.83 34.05 1u48 s MET 299 CO 0.65 0.47 1.14 0.00 -0.65 0.00 0.00 175.02 176.63 1u48 s ALA 300 N -0.18 3.40 -0.01 4.11 0.00 -1.26 -5.03 121.76 122.79 1u48 s ALA 300 Ca 0.08 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 1u48 s ALA 300 Cb -0.12 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.73 1u48 s ALA 300 CO 0.01 -0.27 0.88 -0.59 0.00 0.00 0.00 175.76 175.79 1u48 s PHE 301 N -0.33 -0.36 -0.25 0.00 -0.12 -1.26 -4.68 117.98 110.99 1u48 s PHE 301 Ca 0.50 0.25 -0.14 0.00 -0.05 0.00 0.00 56.93 57.49 1u48 s PHE 301 Cb -0.31 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1u48 s PHE 301 CO 0.37 -0.54 0.34 0.99 -0.05 0.00 0.00 175.22 176.33 1u48 s THR 302 N -3.00 5.21 -1.01 -4.49 2.01 -0.30 -4.99 115.64 109.08 1u48 s THR 302 Ca 0.04 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.40 1u48 s THR 302 Cb -0.01 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.96 1u48 s THR 302 CO -0.08 0.22 1.25 -0.22 -0.69 0.00 0.00 174.62 175.09 1u48 s LEU 303 N 1.68 4.85 0.29 4.42 1.98 -1.26 -1.31 118.68 129.34 1u48 s LEU 303 Ca 0.15 -2.20 -0.29 0.00 -2.89 0.00 0.00 54.13 48.90 1u48 s LEU 303 Cb -0.15 -2.42 -0.09 0.00 0.66 0.00 0.00 46.19 44.18 1u48 s LEU 303 CO 0.09 -1.04 1.07 0.00 -1.89 0.00 0.00 176.35 174.57 1u48 s ALA 304 N 2.73 3.34 -0.77 5.97 0.00 -0.89 -4.96 121.76 127.19 1u48 s ALA 304 Ca 0.37 0.83 0.22 0.00 0.00 0.00 0.00 51.96 53.38 1u48 s ALA 304 Cb -0.04 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1u48 s ALA 304 CO -0.07 -0.12 0.94 -0.25 0.00 0.00 0.00 175.76 176.26 1u48 n ASP 305 N 1.02 0.70 -3.65 0.00 8.00 -1.26 -4.48 116.55 116.88 1u48 n ASP 305 Ca -0.00 -0.57 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 1u48 n ASP 305 Cb 0.46 1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.50 1u48 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u48 s ARG 306 N -3.12 0.97 0.22 -1.24 1.70 -1.26 -5.00 118.95 111.22 1u48 s ARG 306 Ca 0.05 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 1u48 s ARG 306 Cb 0.15 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.88 1u48 s ARG 306 CO 0.84 -0.35 1.06 0.08 -1.08 0.00 0.00 175.30 175.84 1u48 s VAL 307 N -2.83 3.83 0.30 4.99 1.01 -1.26 -5.06 120.40 121.38 1u48 s VAL 307 Ca -0.03 1.71 0.09 0.00 0.00 0.00 0.00 61.98 63.75 1u48 s VAL 307 Cb -0.00 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1u48 s VAL 307 CO -0.05 0.35 -0.12 0.42 0.00 0.00 0.00 175.10 175.70 1u48 s THR 308 N -0.71 2.13 0.25 3.92 -4.23 -1.26 -5.05 115.64 110.68 1u48 s THR 308 Ca 0.46 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 1u48 s THR 308 Cb -0.29 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.35 1u48 s THR 308 CO 0.36 -0.32 1.92 -0.08 -0.54 0.00 0.00 174.62 175.96 1u48 h GLU 309 N 2.20 1.27 0.00 3.99 4.81 -1.98 -1.59 114.58 123.28 1u48 h GLU 309 Ca -0.41 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1u48 h GLU 309 Cb 1.25 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1u48 h GLU 309 CO 0.66 0.84 0.00 -0.85 -0.73 0.00 0.00 179.01 178.93 1u48 n GLU 310 N -4.42 0.01 0.00 1.92 0.28 -1.26 -0.24 120.64 116.93 1u48 n GLU 310 Ca 0.12 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.63 1u48 n GLU 310 Cb 0.04 -1.52 0.54 0.00 1.43 0.00 0.00 31.44 31.92 1u48 n GLU 310 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1u48 n MET 311 N -1.55 0.75 -1.38 3.44 2.81 -0.60 -4.02 117.12 116.58 1u48 n MET 311 Ca 0.02 -0.33 -0.14 0.00 -1.81 0.00 0.00 57.70 55.44 1u48 n MET 311 Cb 0.09 -1.49 0.11 0.00 -0.71 0.00 0.00 33.22 31.22 1u48 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u48 n LEU 312 N -0.84 4.54 -4.70 4.03 4.77 0.66 -5.02 117.00 120.45 1u48 n LEU 312 Ca 0.14 -4.31 -0.31 0.00 -0.03 0.00 0.00 56.01 51.50 1u48 n LEU 312 Cb 0.30 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 41.03 1u48 n LEU 312 CO 0.24 1.71 0.67 0.00 -1.33 0.00 0.00 177.39 178.69 1u48 s ALA 313 N -3.47 1.57 -1.31 -1.18 0.00 -1.26 -4.89 121.76 111.22 1u48 s ALA 313 Ca 0.48 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1u48 s ALA 313 Cb 0.41 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1u48 s ALA 313 CO 0.00 -2.47 0.67 -0.40 0.00 0.00 0.00 175.76 173.56 1u48 n ASP 314 N -4.01 0.75 -3.65 0.00 5.68 -1.26 -4.64 116.55 109.42 1u48 n ASP 314 Ca 0.09 -2.01 -0.05 0.00 -0.50 0.00 0.00 54.79 52.33 1u48 n ASP 314 Cb 0.53 -0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 1u48 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1u48 s LYS 315 N -1.33 0.58 -0.01 0.11 2.47 -1.25 -1.89 119.74 118.43 1u48 s LYS 315 Ca 0.01 1.28 -0.28 0.00 -1.56 0.00 0.00 55.97 55.41 1u48 s LYS 315 Cb 0.01 0.49 0.10 0.00 -1.46 0.00 0.00 37.83 36.96 1u48 s LYS 315 CO 0.00 -0.19 0.86 0.00 0.16 0.00 0.00 175.35 176.18 1u48 s ALA 316 N 2.31 -1.81 -0.15 3.13 0.00 -0.78 -4.54 121.76 119.92 1u48 s ALA 316 Ca -0.07 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1u48 s ALA 316 Cb -0.09 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1u48 s ALA 316 CO -0.18 -0.64 0.41 0.00 0.00 0.00 0.00 175.76 175.35 1u48 s ALA 317 N -2.86 3.53 -0.05 0.00 0.00 0.45 -0.83 121.76 121.99 1u48 s ALA 317 Ca 0.03 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1u48 s ALA 317 Cb -0.01 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1u48 s ALA 317 CO -0.07 -0.05 -0.22 -1.17 0.00 0.00 0.00 175.76 174.25 1u48 s LEU 318 N 0.76 2.01 -0.15 0.00 2.96 0.08 -1.51 118.68 122.82 1u48 s LEU 318 Ca 0.22 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1u48 s LEU 318 Cb -0.14 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.38 1u48 s LEU 318 CO 0.08 0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 1u48 s VAL 319 N -0.11 1.51 -0.47 1.68 1.01 -0.08 -4.48 120.40 119.45 1u48 s VAL 319 Ca -0.03 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1u48 s VAL 319 Cb -0.12 -1.45 0.12 0.00 0.00 0.00 0.00 36.38 34.93 1u48 s VAL 319 CO 0.03 0.41 0.21 -0.69 0.00 0.00 0.00 175.10 175.06 1u48 s VAL 320 N 1.51 2.39 -0.12 2.92 1.01 -1.26 -1.24 120.40 125.61 1u48 s VAL 320 Ca 0.04 -3.02 -0.30 0.00 0.00 0.00 0.00 61.98 58.70 1u48 s VAL 320 Cb -0.13 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1u48 s VAL 320 CO -0.10 -0.76 1.23 -0.70 0.00 0.00 0.00 175.10 174.77 1u48 s GLU 321 N 0.04 4.28 -0.26 2.72 2.56 -0.85 -4.64 118.70 122.55 1u48 s GLU 321 Ca 0.16 1.66 0.01 0.00 0.00 0.00 0.00 54.97 56.80 1u48 s GLU 321 Cb -0.24 -3.67 0.07 0.00 2.00 0.00 0.00 34.13 32.28 1u48 s GLU 321 CO -0.02 -0.59 -0.04 0.08 -0.56 0.00 0.00 175.26 174.12 1u48 s VAL 322 N 2.94 1.70 0.09 3.70 1.01 -1.26 -1.05 120.40 127.53 1u48 s VAL 322 Ca 0.55 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1u48 s VAL 322 Cb -0.23 -1.99 -0.25 0.00 0.00 0.00 0.00 36.38 33.91 1u48 s VAL 322 CO 0.18 -0.19 1.20 0.58 0.00 0.00 0.00 175.10 176.86 1u48 h VAL 323 N 6.67 1.48 -2.98 2.92 2.07 -1.96 -3.45 116.25 121.00 1u48 h VAL 323 Ca -0.16 -2.89 -0.55 0.00 0.82 0.00 0.00 66.70 63.92 1u48 h VAL 323 Cb 1.05 2.79 0.08 0.00 -1.52 0.00 0.00 31.29 33.69 1u48 h VAL 323 CO 0.44 0.85 0.81 -0.62 0.02 0.00 0.00 177.57 179.06 1u48 n GLU 324 N -3.59 2.48 -0.25 1.57 -0.58 -1.26 -4.88 120.64 114.12 1u48 n GLU 324 Ca -0.08 0.88 -0.06 0.00 -0.42 0.00 0.00 57.16 57.49 1u48 n GLU 324 Cb 0.96 -2.63 0.05 0.00 -0.57 0.00 0.00 31.44 29.25 1u48 n GLU 324 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u48 h GLU 325 N 4.87 0.95 -5.56 3.49 5.08 -2.03 -3.34 114.58 118.04 1u48 h GLU 325 Ca -0.46 -0.10 -0.64 0.00 -1.00 0.00 0.00 59.36 57.16 1u48 h GLU 325 Cb 1.24 -0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 1u48 h GLU 325 CO 0.80 0.70 0.27 1.21 -1.00 0.00 0.00 179.01 180.99 1u48 s ASN 326 N -5.98 6.35 0.00 1.42 3.84 -1.26 -4.92 114.94 114.39 1u48 s ASN 326 Ca -0.13 -0.32 0.21 0.00 0.21 0.00 0.00 52.86 52.83 1u48 s ASN 326 Cb 0.14 -2.36 1.06 0.00 -0.55 0.00 0.00 41.25 39.54 1u48 s ASN 326 CO 0.79 -0.91 1.71 0.00 -2.79 0.00 0.00 177.10 175.89 1u48 n TYR 327 N 6.60 0.07 -2.13 0.43 0.18 -1.26 -4.72 117.16 116.34 1u48 n TYR 327 Ca -0.00 -0.03 -0.42 0.00 1.88 0.00 0.00 57.90 59.32 1u48 n TYR 327 Cb 0.48 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.41 1u48 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1u48 s HIS 328 N -1.93 2.40 -1.28 -3.48 3.76 -1.26 -2.50 115.29 111.01 1u48 s HIS 328 Ca 0.32 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 1u48 s HIS 328 Cb 0.16 -3.78 0.01 0.00 1.11 0.00 0.00 32.58 30.07 1u48 s HIS 328 CO 0.25 -3.12 0.16 -3.47 -0.85 0.00 0.00 174.74 167.71 1u48 n ASP 329 N 6.40 -4.48 -4.94 1.40 4.64 -1.26 -4.94 116.55 113.37 1u48 n ASP 329 Ca 0.15 -0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.32 1u48 n ASP 329 Cb 0.43 -3.74 -0.01 0.00 -1.04 0.00 0.00 41.12 36.76 1u48 n ASP 329 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u48 s ALA 330 N -2.81 3.69 0.48 -1.67 0.00 -1.04 -5.08 121.76 115.33 1u48 s ALA 330 Ca 0.11 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 1u48 s ALA 330 Cb -0.05 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 1u48 s ALA 330 CO 0.13 -0.14 1.05 -2.14 0.00 0.00 0.00 175.76 174.67 1u48 s PRO 331 N -4.41 3.82 -0.31 0.00 0.02 -1.26 -4.95 135.00 127.91 1u48 s PRO 331 Ca 0.43 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.78 1u48 s PRO 331 Cb -0.10 -2.17 0.01 0.00 0.02 0.00 0.00 34.50 32.26 1u48 s PRO 331 CO 0.37 -0.42 0.12 0.42 -0.33 0.00 0.00 177.00 177.16 1u48 s ILE 332 N -1.90 4.23 -1.06 2.83 1.01 -1.26 -4.43 121.20 120.63 1u48 s ILE 332 Ca 0.66 -0.66 0.26 0.00 0.00 0.00 0.00 60.65 60.91 1u48 s ILE 332 Cb -0.18 -3.21 0.09 0.00 0.01 0.00 0.00 42.46 39.17 1u48 s ILE 332 CO 0.22 0.02 1.56 1.33 0.00 0.00 0.00 174.94 178.07 1u48 n VAL 333 N 4.92 0.00 0.00 2.92 0.24 -0.21 -4.72 118.33 121.47 1u48 n VAL 333 Ca -0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1u48 n VAL 333 Cb 0.48 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1u48 n VAL 333 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u48 n GLY 334 N 1.48 1.22 2.97 7.63 0.00 -1.26 -4.72 105.19 112.52 1u48 n GLY 334 Ca 0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 1u48 n GLY 334 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u48 s ILE 335 N -2.00 0.49 0.02 -0.61 1.01 -0.52 -2.01 121.20 117.59 1u48 s ILE 335 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1u48 s ILE 335 Cb 0.00 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1u48 s ILE 335 CO 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 174.94 174.94 1u48 s ALA 336 N -0.08 1.16 -0.03 9.38 0.00 -0.37 0.13 121.76 131.94 1u48 s ALA 336 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1u48 s ALA 336 Cb -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1u48 s ALA 336 CO -0.00 0.24 0.00 0.08 0.00 0.00 0.00 175.76 176.08 1u48 s VAL 337 N -0.65 0.16 -0.09 0.00 1.01 0.07 -0.90 120.40 120.00 1u48 s VAL 337 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1u48 s VAL 337 Cb -0.07 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1u48 s VAL 337 CO 0.01 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 174.44 1u48 s VAL 338 N 1.12 1.23 0.07 2.92 1.01 -0.57 -0.02 120.40 126.17 1u48 s VAL 338 Ca -0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1u48 s VAL 338 Cb -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1u48 s VAL 338 CO -0.02 0.39 0.09 -0.46 0.00 0.00 0.00 175.10 175.10 1u48 n ASN 339 N 4.13 -0.25 0.12 3.32 0.23 -0.50 -0.41 115.26 121.89 1u48 n ASN 339 Ca -0.20 -1.38 0.19 0.00 -0.53 0.00 0.00 54.58 52.66 1u48 n ASN 339 Cb 0.51 0.48 0.76 0.00 -2.08 0.00 0.00 39.78 39.46 1u48 n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1u48 h GLU 340 N 0.00 0.00 0.00 -3.83 4.11 -1.94 -1.67 114.58 111.25 1u48 h GLU 340 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1u48 h GLU 340 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1u48 h GLU 340 CO 0.07 0.00 -0.57 0.72 0.07 0.00 0.00 179.01 179.30 1u48 n HIS 341 N -3.87 0.52 -0.96 2.06 8.25 -1.26 -5.06 115.22 114.89 1u48 n HIS 341 Ca 0.06 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1u48 n HIS 341 Cb 0.51 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1u48 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u48 n GLY 342 N 1.35 0.54 3.36 -1.41 0.00 -0.63 -5.09 105.19 103.30 1u48 n GLY 342 Ca 0.04 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1u48 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u48 s ARG 343 N -2.00 2.97 0.03 1.61 0.52 -1.26 -1.41 118.95 119.41 1u48 s ARG 343 Ca 0.00 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1u48 s ARG 343 Cb 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 1u48 s ARG 343 CO 0.00 0.34 -0.08 -0.06 0.02 0.00 0.00 175.30 175.52 1u48 s PHE 344 N -0.01 0.67 -0.06 -0.53 0.40 0.97 -1.14 117.98 118.27 1u48 s PHE 344 Ca -0.05 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1u48 s PHE 344 Cb -0.14 -0.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 1u48 s PHE 344 CO 0.04 -0.05 -0.22 0.12 0.70 0.00 0.00 175.22 175.81 1u48 s PHE 345 N -1.00 2.25 -0.01 0.36 5.36 -0.43 -0.75 117.98 123.76 1u48 s PHE 345 Ca -0.06 -0.72 0.05 0.00 -0.96 0.00 0.00 56.93 55.24 1u48 s PHE 345 Cb -0.08 -1.49 -0.01 0.00 -0.34 0.00 0.00 43.02 41.10 1u48 s PHE 345 CO 0.00 -0.24 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.86 1u48 s LEU 346 N 0.01 2.03 0.13 6.12 1.43 0.12 -2.09 118.68 126.43 1u48 s LEU 346 Ca -0.07 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1u48 s LEU 346 Cb -0.14 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1u48 s LEU 346 CO 0.04 0.18 1.06 -0.13 0.23 0.00 0.00 176.35 177.73 1u48 s ARG 347 N -0.38 4.60 0.33 1.70 0.52 -1.26 -1.43 118.95 123.03 1u48 s ARG 347 Ca 0.06 1.62 0.08 0.00 -0.52 0.00 0.00 55.73 56.96 1u48 s ARG 347 Cb -0.06 -3.33 0.78 0.00 0.52 0.00 0.00 34.95 32.86 1u48 s ARG 347 CO -0.01 0.06 1.83 -1.00 0.02 0.00 0.00 175.30 176.20 1u48 h PRO 348 N 5.62 0.71 -0.63 3.54 0.13 -1.84 -1.15 132.00 138.38 1u48 h PRO 348 Ca -0.43 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1u48 h PRO 348 Cb 1.21 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1u48 h PRO 348 CO 0.74 0.47 0.30 0.93 -0.23 0.00 0.00 178.00 180.21 1u48 h GLU 349 N 0.73 0.90 0.24 0.86 3.07 -1.92 -1.06 114.58 117.41 1u48 h GLU 349 Ca 0.51 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1u48 h GLU 349 Cb 0.82 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1u48 h GLU 349 CO -0.28 0.69 -0.12 1.15 -1.40 0.00 0.00 179.01 179.06 1u48 h THR 350 N 0.89 0.43 0.27 1.13 2.02 -1.64 -3.22 112.91 112.79 1u48 h THR 350 Ca 0.22 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1u48 h THR 350 Cb 0.09 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1u48 h THR 350 CO -0.03 0.11 -0.13 0.00 0.37 0.00 0.00 175.52 175.85 1u48 h ALA 351 N -0.72 -0.36 0.00 6.16 0.00 -1.27 -2.37 119.26 120.70 1u48 h ALA 351 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u48 h ALA 351 Cb 0.44 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1u48 h ALA 351 CO 0.05 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.88 1u48 n LEU 352 N -5.24 0.00 -0.00 0.00 4.77 -0.41 -1.66 117.00 114.46 1u48 n LEU 352 Ca -0.10 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1u48 n LEU 352 Cb 0.17 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1u48 n LEU 352 CO 0.35 -0.11 -0.43 0.00 -1.33 0.00 0.00 177.39 175.86 1u48 n ALA 353 N -1.22 3.19 -2.65 -1.18 0.00 -1.09 -4.92 120.51 112.64 1u48 n ALA 353 Ca 0.08 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 1u48 n ALA 353 Cb 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1u48 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u48 s ASP 354 N -3.33 7.06 0.26 0.00 2.15 -0.66 -4.94 116.67 117.21 1u48 s ASP 354 Ca -0.01 1.31 -0.03 0.00 0.43 0.00 0.00 52.55 54.25 1u48 s ASP 354 Cb 0.11 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.60 1u48 s ASP 354 CO 0.67 -0.72 1.86 -0.65 -0.17 0.00 0.00 175.17 176.16 1u48 h PRO 355 N 7.60 1.03 -0.51 4.34 0.11 -1.91 -1.67 132.00 140.98 1u48 h PRO 355 Ca -0.19 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1u48 h PRO 355 Cb 1.06 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1u48 h PRO 355 CO 0.99 0.68 0.19 1.96 -0.21 0.00 0.00 178.00 181.61 1u48 h GLN 356 N 1.06 0.78 -0.01 1.05 7.50 -1.93 -0.53 115.11 123.02 1u48 h GLN 356 Ca 0.43 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 59.42 1u48 h GLN 356 Cb 0.24 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1u48 h GLN 356 CO -0.20 0.70 0.00 0.35 -1.50 0.00 0.00 178.83 178.19 1u48 h PHE 357 N 0.69 0.02 -0.88 2.96 3.57 -1.72 -0.80 116.94 120.79 1u48 h PHE 357 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1u48 h PHE 357 Cb 0.23 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1u48 h PHE 357 CO 0.01 0.27 0.56 0.28 -2.23 0.00 0.00 178.31 177.20 1u48 h VAL 358 N -0.23 1.11 -0.74 1.41 2.07 -1.27 0.13 116.25 118.74 1u48 h VAL 358 Ca 0.00 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1u48 h VAL 358 Cb 0.26 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1u48 h VAL 358 CO 0.00 0.19 0.23 0.00 0.02 0.00 0.00 177.57 178.01 1u48 h ALA 359 N 1.38 1.01 -0.65 1.67 0.00 -0.97 -1.70 119.26 120.00 1u48 h ALA 359 Ca 0.36 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1u48 h ALA 359 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1u48 h ALA 359 CO -0.14 0.66 0.21 2.35 0.00 0.00 0.00 179.25 182.33 1u48 h TRP 360 N 1.09 1.04 -0.91 0.00 7.01 0.02 -1.68 115.95 122.54 1u48 h TRP 360 Ca 0.24 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1u48 h TRP 360 Cb 0.30 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 1u48 h TRP 360 CO 0.02 0.84 0.60 -0.07 -2.79 0.00 0.00 178.44 177.05 1u48 h LEU 361 N 0.94 1.03 -0.51 0.65 3.38 -0.31 -2.67 115.31 117.83 1u48 h LEU 361 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1u48 h LEU 361 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1u48 h LEU 361 CO -0.01 0.74 -0.05 0.61 0.09 0.00 0.00 178.44 179.83 1u48 n GLY 362 N -1.35 -0.53 3.57 0.83 0.00 -0.68 -1.22 105.19 105.81 1u48 n GLY 362 Ca 0.10 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1u48 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u48 s ASP 363 N -2.15 6.51 0.63 1.61 -1.08 -0.67 -4.56 116.67 116.96 1u48 s ASP 363 Ca 0.37 0.15 0.38 0.00 -0.52 0.00 0.00 52.55 52.94 1u48 s ASP 363 Cb 0.21 -2.47 2.16 0.00 -1.46 0.00 0.00 42.92 41.37 1u48 s ASP 363 CO 0.39 -1.10 2.32 -0.08 0.52 0.00 0.00 175.17 177.23 1u48 h GLU 364 N 9.12 0.00 0.00 4.34 4.22 -1.87 -1.17 114.58 129.22 1u48 h GLU 364 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1u48 h GLU 364 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u48 h GLU 364 CO 1.05 0.00 -0.11 0.25 -2.18 0.00 0.00 179.01 178.02 1u48 n THR 365 N -3.42 0.54 -3.11 0.32 -2.24 -1.26 -4.25 114.28 100.85 1u48 n THR 365 Ca -0.03 -0.28 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 1u48 n THR 365 Cb 0.08 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1u48 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u48 s LYS 366 N -3.11 3.12 0.14 -0.78 -0.14 -0.44 -4.91 119.74 113.62 1u48 s LYS 366 Ca 0.10 -0.95 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 1u48 s LYS 366 Cb 0.13 -4.14 -0.06 0.00 -1.68 0.00 0.00 37.83 32.07 1u48 s LYS 366 CO 0.62 -1.33 1.00 0.15 -0.76 0.00 0.00 175.35 175.03 1u48 s LYS 367 N 2.78 4.67 0.03 1.68 -0.14 -0.79 -4.54 119.74 123.43 1u48 s LYS 367 Ca 0.15 1.54 0.07 0.00 -1.36 0.00 0.00 55.97 56.37 1u48 s LYS 367 Cb -0.20 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1u48 s LYS 367 CO 0.11 0.19 -0.20 0.15 -0.76 0.00 0.00 175.35 174.83 1u48 s LYS 368 N -0.16 1.42 -0.13 1.68 3.01 0.24 -1.87 119.74 123.93 1u48 s LYS 368 Ca 0.47 -0.88 -0.01 0.00 -1.01 0.00 0.00 55.97 54.55 1u48 s LYS 368 Cb -0.25 -1.49 -0.02 0.00 -1.01 0.00 0.00 37.83 35.06 1u48 s LYS 368 CO 0.31 0.39 -0.12 -1.12 0.51 0.00 0.00 175.35 175.32 1u48 s SER 369 N -1.00 4.10 0.21 2.83 0.01 -0.01 -0.93 113.70 118.91 1u48 s SER 369 Ca 0.07 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1u48 s SER 369 Cb -0.08 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 1u48 s SER 369 CO 0.01 0.16 0.21 0.23 0.41 0.00 0.00 173.24 174.27 1u48 n MET 370 N 3.53 0.31 -3.88 12.44 2.81 0.44 -0.74 117.12 132.03 1u48 n MET 370 Ca -0.18 -1.94 -0.28 0.00 -1.81 0.00 0.00 57.70 53.49 1u48 n MET 370 Cb 0.53 1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 34.54 1u48 n MET 370 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1u48 s PHE 371 N -3.11 1.67 -0.82 2.03 5.36 -1.26 0.51 117.98 122.36 1u48 s PHE 371 Ca 0.22 -1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.06 1u48 s PHE 371 Cb 0.01 -1.30 -0.05 0.00 -0.34 0.00 0.00 43.02 41.34 1u48 s PHE 371 CO 0.16 -0.62 0.72 -3.47 -1.46 0.00 0.00 175.22 170.55 1u48 n ASP 372 N 4.88 -5.88 0.24 6.13 2.03 -1.26 -4.90 116.55 117.79 1u48 n ASP 372 Ca -0.12 -0.51 0.09 0.00 0.52 0.00 0.00 54.79 54.78 1u48 n ASP 372 Cb 0.47 -4.33 0.58 0.00 -0.72 0.00 0.00 41.12 37.12 1u48 n ASP 372 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1u48 h SER 373 N -0.71 0.00 -0.53 1.67 4.64 -1.95 -2.82 113.55 113.85 1u48 h SER 373 Ca -0.43 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1u48 h SER 373 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1u48 h SER 373 CO 0.34 0.19 0.31 0.50 -0.87 0.00 0.00 176.83 177.31 1u48 h LYS 374 N 0.00 0.60 -0.41 4.77 3.64 -1.91 0.30 116.57 123.57 1u48 h LYS 374 Ca -0.00 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1u48 h LYS 374 Cb 0.43 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1u48 h LYS 374 CO 0.03 0.40 0.02 -0.09 -2.27 0.00 0.00 179.45 177.54 1u48 h ARG 375 N 0.62 0.13 -0.32 1.90 2.43 -1.87 0.77 114.38 118.04 1u48 h ARG 375 Ca 0.21 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1u48 h ARG 375 Cb 0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1u48 h ARG 375 CO -0.10 0.09 -0.20 0.00 -1.51 0.00 0.00 179.97 178.25 1u48 h ALA 376 N 1.34 0.46 -0.71 2.80 0.00 -1.48 -2.11 119.26 119.57 1u48 h ALA 376 Ca 0.20 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1u48 h ALA 376 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1u48 h ALA 376 CO -0.31 0.41 0.45 0.00 0.00 0.00 0.00 179.25 179.79 1u48 h ALA 377 N 0.76 0.92 -0.20 0.00 0.00 0.11 -0.31 119.26 120.54 1u48 h ALA 377 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1u48 h ALA 377 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u48 h ALA 377 CO 0.06 0.24 -0.42 0.28 0.00 0.00 0.00 179.25 179.40 1u48 h VAL 378 N 0.88 1.32 -0.09 0.00 2.07 -0.83 -0.50 116.25 119.11 1u48 h VAL 378 Ca 0.28 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1u48 h VAL 378 Cb -0.01 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1u48 h VAL 378 CO -0.10 0.51 -0.02 0.00 0.02 0.00 0.00 177.57 177.99 1u48 h ALA 379 N 0.60 1.81 0.00 1.67 0.00 -1.17 -1.46 119.26 120.70 1u48 h ALA 379 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1u48 h ALA 379 Cb 1.03 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1u48 h ALA 379 CO 0.09 0.15 -0.98 -0.07 0.00 0.00 0.00 179.25 178.44 1u48 h LEU 380 N 0.12 0.64 -0.62 0.00 3.38 -0.88 -3.21 115.31 114.75 1u48 h LEU 380 Ca 0.03 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.51 1u48 h LEU 380 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1u48 h LEU 380 CO 0.00 1.32 0.38 0.11 0.09 0.00 0.00 178.44 180.35 1u48 h LYS 381 N 0.28 0.73 0.00 1.13 1.57 -0.09 0.58 116.57 120.77 1u48 h LYS 381 Ca -0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u48 h LYS 381 Cb 1.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1u48 h LYS 381 CO 0.18 0.49 0.00 -1.49 -0.57 0.00 0.00 179.45 178.05 1u48 h TRP 382 N 0.76 0.00 -0.69 -1.35 4.06 -1.38 0.14 115.95 117.48 1u48 h TRP 382 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 1u48 h TRP 382 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1u48 h TRP 382 CO -0.05 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.46 1u48 n LYS 383 N -3.06 2.70 -2.17 0.49 5.02 0.02 -4.95 118.16 116.21 1u48 n LYS 383 Ca -0.02 -2.62 -0.12 0.00 -2.02 0.00 0.00 58.31 53.52 1u48 n LYS 383 Cb 0.10 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1u48 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u48 n GLY 384 N 1.63 -0.04 3.21 0.72 0.00 0.47 -5.02 105.19 106.16 1u48 n GLY 384 Ca 0.24 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1u48 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u48 s ILE 385 N -2.61 1.93 -0.11 -0.61 1.01 -0.18 -5.00 121.20 115.63 1u48 s ILE 385 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 1u48 s ILE 385 Cb 0.00 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1u48 s ILE 385 CO 0.00 0.53 0.35 -0.70 0.00 0.00 0.00 174.94 175.12 1u48 s GLU 386 N 0.24 4.13 -0.20 2.79 2.12 -1.26 -3.36 118.70 123.16 1u48 s GLU 386 Ca -0.14 0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.36 1u48 s GLU 386 Cb -0.16 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1u48 s GLU 386 CO 0.07 0.37 0.03 -1.17 -0.54 0.00 0.00 175.26 174.02 1u48 s LEU 387 N 0.02 3.44 0.28 2.70 2.96 -1.26 -2.87 118.68 123.95 1u48 s LEU 387 Ca 0.20 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1u48 s LEU 387 Cb -0.14 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1u48 s LEU 387 CO 0.08 0.08 0.14 0.00 -1.32 0.00 0.00 176.35 175.32 1u48 n GLY 389 N -0.52 0.74 3.60 0.00 0.00 -1.26 -4.68 105.19 103.09 1u48 n GLY 389 Ca 0.01 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1u48 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u48 s VAL 390 N -2.08 3.98 -0.86 1.61 1.01 -1.26 -0.59 120.40 122.21 1u48 s VAL 390 Ca 0.00 1.01 0.20 0.00 0.00 0.00 0.00 61.98 63.19 1u48 s VAL 390 Cb 0.00 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 1u48 s VAL 390 CO 0.00 -0.76 0.82 -1.54 0.00 0.00 0.00 175.10 173.62 1u48 n SER 391 N 8.53 0.87 -3.68 3.32 3.41 -0.11 -4.90 113.62 121.07 1u48 n SER 391 Ca 0.16 -0.87 -0.10 0.00 -0.26 0.00 0.00 58.87 57.80 1u48 n SER 391 Cb 0.48 1.12 -0.10 0.00 -0.26 0.00 0.00 64.21 65.44 1u48 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1u48 s PHE 392 N -3.00 -0.67 -0.27 7.33 5.36 -1.20 -4.98 117.98 120.54 1u48 s PHE 392 Ca 0.06 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.41 1u48 s PHE 392 Cb 0.15 0.26 0.06 0.00 -0.34 0.00 0.00 43.02 43.15 1u48 s PHE 392 CO 0.85 -0.40 -0.08 0.34 -1.46 0.00 0.00 175.22 174.46 1u48 s ASP 393 N 1.97 4.56 0.45 6.13 -1.08 -1.26 -0.42 116.67 127.02 1u48 s ASP 393 Ca -0.06 -1.38 0.10 0.00 -0.52 0.00 0.00 52.55 50.69 1u48 s ASP 393 Cb -0.10 -1.59 1.00 0.00 -1.46 0.00 0.00 42.92 40.77 1u48 s ASP 393 CO -0.12 -0.21 2.09 0.25 0.52 0.00 0.00 175.17 177.69 1u48 h LEU 394 N 7.82 0.32 -0.07 -1.34 5.85 -0.32 -1.01 115.31 126.57 1u48 h LEU 394 Ca -0.19 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1u48 h LEU 394 Cb 1.04 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1u48 h LEU 394 CO 0.48 0.23 0.02 0.25 -0.34 0.00 0.00 178.44 179.08 1u48 h LEU 395 N 0.37 0.10 -0.81 2.25 5.85 -1.91 -0.67 115.31 120.50 1u48 h LEU 395 Ca 0.10 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1u48 h LEU 395 Cb -0.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1u48 h LEU 395 CO -0.02 0.27 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.11 1u48 h LEU 396 N -0.08 0.72 -0.17 2.25 3.38 -1.84 -0.97 115.31 118.60 1u48 h LEU 396 Ca 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1u48 h LEU 396 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u48 h LEU 396 CO -0.00 0.89 0.08 0.00 0.09 0.00 0.00 178.44 179.50 1u48 h ALA 397 N 1.17 0.22 -0.38 1.53 0.00 -1.06 -1.39 119.26 119.35 1u48 h ALA 397 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u48 h ALA 397 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1u48 h ALA 397 CO 0.04 -0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.32 1u48 h ALA 398 N 0.95 0.49 -0.86 0.00 0.00 -0.96 -2.00 119.26 116.87 1u48 h ALA 398 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1u48 h ALA 398 Cb 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1u48 h ALA 398 CO -0.01 -0.03 0.54 -0.92 0.00 0.00 0.00 179.25 178.83 1u48 h TYR 399 N 0.51 1.00 -0.28 0.00 3.20 -0.94 -1.67 116.97 118.79 1u48 h TYR 399 Ca 0.14 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.88 1u48 h TYR 399 Cb -0.02 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1u48 h TYR 399 CO -0.04 0.51 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.47 1u48 h LEU 400 N 0.99 0.78 -0.80 2.82 3.38 -0.99 -2.00 115.31 119.47 1u48 h LEU 400 Ca 0.37 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1u48 h LEU 400 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1u48 h LEU 400 CO -0.17 1.11 0.01 -0.07 0.09 0.00 0.00 178.44 179.42 1u48 h LEU 401 N 0.57 0.88 -5.80 1.67 3.38 -0.86 -3.41 115.31 111.74 1u48 h LEU 401 Ca 0.03 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1u48 h LEU 401 Cb 1.01 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.34 1u48 h LEU 401 CO 0.10 0.94 -0.31 -0.62 0.09 0.00 0.00 178.44 178.64 1u48 s ASP 402 N -6.61 -1.14 0.29 -0.43 -1.08 -0.67 -4.99 116.67 102.04 1u48 s ASP 402 Ca -0.10 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 51.76 1u48 s ASP 402 Cb 0.14 1.52 1.07 0.00 -1.46 0.00 0.00 42.92 44.19 1u48 s ASP 402 CO 0.83 -0.15 1.65 -0.81 0.52 0.00 0.00 175.17 177.21 1u48 n PRO 403 N 4.47 0.15 0.13 4.34 -0.04 -0.76 -2.29 135.00 141.01 1u48 n PRO 403 Ca 0.08 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1u48 n PRO 403 Cb 0.58 -1.91 0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1u48 n PRO 403 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u48 h ALA 404 N 2.09 0.86 -0.29 0.55 0.00 -1.93 -3.19 119.26 117.35 1u48 h ALA 404 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1u48 h ALA 404 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u48 h ALA 404 CO 0.00 0.80 0.23 1.96 0.00 0.00 0.00 179.25 182.24 1u48 h GLN 405 N 0.00 0.00 -3.70 0.00 1.08 -1.85 -3.46 115.11 107.18 1u48 h GLN 405 Ca -0.01 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 1u48 h GLN 405 Cb 1.19 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.69 1u48 h GLN 405 CO 0.08 0.00 -0.43 0.41 -0.95 0.00 0.00 178.83 177.94 1u48 n GLY 406 N -1.53 -0.09 3.63 3.46 0.00 -1.21 -4.90 105.19 104.55 1u48 n GLY 406 Ca 0.04 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1u48 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u48 s VAL 407 N -3.09 3.11 0.00 1.61 1.01 -1.26 -4.82 120.40 116.95 1u48 s VAL 407 Ca 0.30 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1u48 s VAL 407 Cb -0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1u48 s VAL 407 CO 0.37 -0.04 0.53 -0.90 0.00 0.00 0.00 175.10 175.06 1u48 n ASP 408 N 9.42 1.05 -3.68 3.32 5.75 -1.26 -4.95 116.55 126.19 1u48 n ASP 408 Ca 0.24 -1.11 -0.10 0.00 -0.01 0.00 0.00 54.79 53.81 1u48 n ASP 408 Cb 0.43 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.48 1u48 n ASP 408 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1u48 s ASP 409 N -0.11 -0.27 0.27 -1.12 3.84 -1.26 -5.04 116.67 112.98 1u48 s ASP 409 Ca 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 52.55 52.15 1u48 s ASP 409 Cb 0.00 0.54 0.55 0.00 -1.38 0.00 0.00 42.92 42.63 1u48 s ASP 409 CO 0.00 -0.97 1.76 0.58 -0.00 0.00 0.00 175.17 176.53 1u48 h VAL 410 N 2.25 0.70 -0.84 2.11 2.07 -1.97 -1.47 116.25 119.10 1u48 h VAL 410 Ca -0.31 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1u48 h VAL 410 Cb 1.26 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1u48 h VAL 410 CO 0.41 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.63 1u48 h ALA 411 N 1.57 1.14 -0.46 1.67 0.00 -1.87 0.15 119.26 121.47 1u48 h ALA 411 Ca 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1u48 h ALA 411 Cb 0.69 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u48 h ALA 411 CO -0.38 0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.24 1u48 h ALA 412 N 1.39 0.61 -0.54 0.00 0.00 -1.66 -1.36 119.26 117.69 1u48 h ALA 412 Ca 0.36 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1u48 h ALA 412 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u48 h ALA 412 CO -0.16 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 1u48 h ALA 413 N 0.96 0.73 -0.34 0.00 0.00 -1.03 -2.97 119.26 116.62 1u48 h ALA 413 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1u48 h ALA 413 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u48 h ALA 413 CO 0.01 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.89 1u48 h ALA 414 N 0.94 1.44 0.00 0.00 0.00 -0.50 -2.28 119.26 118.86 1u48 h ALA 414 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1u48 h ALA 414 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u48 h ALA 414 CO 0.04 0.40 -0.12 -0.22 0.00 0.00 0.00 179.25 179.35 1u48 h LYS 415 N 0.50 0.00 0.00 0.00 3.64 -1.08 -1.23 116.57 118.40 1u48 h LYS 415 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1u48 h LYS 415 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1u48 h LYS 415 CO 0.00 0.12 -0.03 0.52 -2.27 0.00 0.00 179.45 177.78 1u48 h MET 416 N 0.00 0.00 -0.29 1.90 2.86 -1.43 -2.03 114.93 115.94 1u48 h MET 416 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1u48 h MET 416 Cb 0.27 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 1u48 h MET 416 CO 0.01 0.03 -0.15 1.63 1.06 0.00 0.00 176.91 179.50 1u48 n LYS 417 N -3.86 1.81 -2.30 1.72 4.76 -0.61 -4.96 118.16 114.73 1u48 n LYS 417 Ca -0.03 -3.20 -0.17 0.00 -2.87 0.00 0.00 58.31 52.05 1u48 n LYS 417 Cb 0.12 -1.78 -0.02 0.00 -1.84 0.00 0.00 35.03 31.52 1u48 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1u48 n GLN 418 N -1.11 -1.89 -3.73 1.97 1.13 -0.76 -4.94 117.38 108.04 1u48 n GLN 418 Ca 0.30 0.82 -0.37 0.00 -1.94 0.00 0.00 57.00 55.82 1u48 n GLN 418 Cb 0.97 -5.42 -0.12 0.00 0.11 0.00 0.00 30.24 25.78 1u48 n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1u48 s TYR 419 N -2.77 3.11 -0.05 1.08 5.04 -0.56 -4.95 117.35 118.24 1u48 s TYR 419 Ca 0.00 -0.32 0.08 0.00 -2.44 0.00 0.00 57.07 54.39 1u48 s TYR 419 Cb 0.00 -2.26 0.12 0.00 0.35 0.00 0.00 41.96 40.17 1u48 s TYR 419 CO 0.00 -0.31 1.04 0.39 -1.34 0.00 0.00 175.55 175.32 1u48 n GLU 420 N 4.92 0.67 -0.75 4.97 1.02 -1.26 -3.12 120.64 127.09 1u48 n GLU 420 Ca -0.16 -1.66 -0.09 0.00 -0.02 0.00 0.00 57.16 55.23 1u48 n GLU 420 Cb 0.52 -0.94 -0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1u48 n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u48 n ALA 421 N -0.63 4.76 -3.60 0.62 0.00 -1.26 -4.74 120.51 115.67 1u48 n ALA 421 Ca 0.07 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1u48 n ALA 421 Cb 0.64 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 1u48 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u48 s VAL 422 N -0.96 -0.00 0.35 0.00 0.11 -1.26 -4.89 120.40 113.74 1u48 s VAL 422 Ca 0.21 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1u48 s VAL 422 Cb 0.14 -0.95 -0.07 0.00 -1.53 0.00 0.00 36.38 33.97 1u48 s VAL 422 CO -0.01 0.00 0.69 -0.13 -3.33 0.00 0.00 175.10 172.32 1u48 s ARG 423 N 0.48 3.79 0.44 1.54 0.52 -1.26 -4.79 118.95 119.67 1u48 s ARG 423 Ca -0.01 0.38 -0.24 0.00 -0.52 0.00 0.00 55.73 55.35 1u48 s ARG 423 Cb -0.05 -2.48 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 1u48 s ARG 423 CO -0.01 0.09 1.18 -2.14 0.02 0.00 0.00 175.30 174.44 1u48 s PRO 424 N -3.52 3.82 0.32 3.54 0.02 -1.26 -4.52 135.00 133.40 1u48 s PRO 424 Ca 0.50 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.37 1u48 s PRO 424 Cb -0.10 -2.48 0.63 0.00 0.02 0.00 0.00 34.50 32.56 1u48 s PRO 424 CO 0.27 -0.51 1.89 -0.44 -0.33 0.00 0.00 177.00 177.89 1u48 h ASP 425 N 2.21 0.83 -0.19 2.53 3.32 -1.96 -1.38 116.42 121.77 1u48 h ASP 425 Ca -0.49 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1u48 h ASP 425 Cb 1.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1u48 h ASP 425 CO 0.61 0.49 0.07 -0.08 -1.72 0.00 0.00 179.24 178.61 1u48 h GLU 426 N 0.91 0.35 -0.07 3.56 4.81 -1.91 0.26 114.58 122.49 1u48 h GLU 426 Ca 0.42 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1u48 h GLU 426 Cb 0.39 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1u48 h GLU 426 CO -0.18 0.31 -0.51 0.00 -0.73 0.00 0.00 179.01 177.91 1u48 h ALA 427 N 1.74 1.03 0.11 2.92 0.00 -1.57 0.80 119.26 124.28 1u48 h ALA 427 Ca 0.09 -0.47 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 1u48 h ALA 427 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u48 h ALA 427 CO -0.01 0.65 -1.45 0.28 0.00 0.00 0.00 179.25 178.73 1u48 h VAL 428 N 0.14 1.00 0.00 0.00 2.07 -1.17 -3.40 116.25 114.89 1u48 h VAL 428 Ca 0.00 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 1u48 h VAL 428 Cb 0.94 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1u48 h VAL 428 CO 0.07 0.71 -1.41 -1.22 0.02 0.00 0.00 177.57 175.74 1u48 n TYR 429 N -3.90 0.72 0.00 1.57 0.53 0.82 -4.68 117.16 112.21 1u48 n TYR 429 Ca -0.25 0.22 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 1u48 n TYR 429 Cb 0.91 -0.90 0.00 0.00 -1.03 0.00 0.00 39.34 38.32 1u48 n TYR 429 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u48 n GLY 430 N 1.29 0.49 0.00 2.72 0.00 0.27 -0.60 105.19 109.37 1u48 n GLY 430 Ca -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1u48 n GLY 430 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u48 n LYS 431 N 0.54 0.00 0.00 1.61 4.76 -1.26 -4.60 118.16 119.21 1u48 n LYS 431 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1u48 n LYS 431 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1u48 n LYS 431 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u48 n GLY 432 N 3.10 0.17 0.25 0.72 0.00 -1.26 -4.33 105.19 103.84 1u48 n GLY 432 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1u48 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u48 h ALA 433 N 0.00 1.22 -0.39 4.61 0.00 -2.00 -1.90 119.26 120.79 1u48 h ALA 433 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u48 h ALA 433 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u48 h ALA 433 CO 0.00 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1u48 n LYS 434 N -3.59 2.45 -2.23 0.00 5.02 -1.26 -4.96 118.16 113.59 1u48 n LYS 434 Ca -0.01 -2.19 -0.38 0.00 -2.02 0.00 0.00 58.31 53.70 1u48 n LYS 434 Cb 0.29 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1u48 n LYS 434 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u48 s ARG 435 N -1.50 3.93 0.00 1.97 3.52 -0.72 -4.51 118.95 121.65 1u48 s ARG 435 Ca 0.39 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.88 1u48 s ARG 435 Cb 0.22 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1u48 s ARG 435 CO 0.31 -0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.37 1u48 n ALA 436 N -0.09 0.00 -2.66 6.12 0.00 0.24 -4.98 120.51 119.14 1u48 n ALA 436 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1u48 n ALA 436 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1u48 n ALA 436 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u48 s VAL 437 N -2.00 4.72 1.04 0.00 1.01 -1.26 -4.51 120.40 119.39 1u48 s VAL 437 Ca 0.00 1.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 1u48 s VAL 437 Cb 0.00 -4.26 0.22 0.00 0.00 0.00 0.00 36.38 32.33 1u48 s VAL 437 CO 0.00 0.06 1.22 -2.16 0.00 0.00 0.00 175.10 174.22 1u48 s PRO 438 N 1.64 0.09 0.67 2.72 0.04 -1.26 -5.01 135.00 133.87 1u48 s PRO 438 Ca 0.51 -0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.21 1u48 s PRO 438 Cb -0.20 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1u48 s PRO 438 CO 0.22 -2.82 1.19 -0.51 0.04 0.00 0.00 177.00 175.13 1u48 s ASP 439 N -4.40 4.72 0.27 6.66 1.01 -1.26 -4.58 116.67 119.09 1u48 s ASP 439 Ca 0.71 2.32 -0.09 0.00 0.71 0.00 0.00 52.55 56.20 1u48 s ASP 439 Cb -0.08 -2.59 0.43 0.00 1.01 0.00 0.00 42.92 41.69 1u48 s ASP 439 CO 0.54 -1.91 1.57 -0.08 0.21 0.00 0.00 175.17 175.50 1u48 h GLU 440 N 0.22 -0.00 -0.44 8.23 4.81 -1.98 -0.47 114.58 124.96 1u48 h GLU 440 Ca -0.49 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1u48 h GLU 440 Cb 1.29 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1u48 h GLU 440 CO 0.52 -0.00 -0.01 -1.35 -0.73 0.00 0.00 179.01 177.44 1u48 h PRO 441 N -0.00 0.09 -0.32 0.92 0.11 -1.99 0.40 132.00 131.21 1u48 h PRO 441 Ca 0.46 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.39 1u48 h PRO 441 Cb 0.69 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1u48 h PRO 441 CO -0.98 0.06 -0.48 0.28 -0.21 0.00 0.00 178.00 176.67 1u48 h VAL 442 N 0.09 1.28 -0.01 3.15 2.07 -1.58 -2.87 116.25 118.38 1u48 h VAL 442 Ca 0.22 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1u48 h VAL 442 Cb 0.32 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1u48 h VAL 442 CO -0.37 0.55 0.00 0.25 0.02 0.00 0.00 177.57 178.02 1u48 h LEU 443 N 0.69 0.02 -0.91 2.57 5.85 -0.57 -2.55 115.31 120.41 1u48 h LEU 443 Ca 0.03 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1u48 h LEU 443 Cb 1.07 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1u48 h LEU 443 CO 0.11 0.21 0.59 0.00 -0.34 0.00 0.00 178.44 179.00 1u48 h ALA 444 N 0.81 1.22 -0.08 1.25 0.00 -0.25 -1.27 119.26 120.94 1u48 h ALA 444 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1u48 h ALA 444 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1u48 h ALA 444 CO -0.00 0.42 -0.52 1.49 0.00 0.00 0.00 179.25 180.64 1u48 h GLU 445 N 1.12 0.21 -0.10 0.00 4.81 -1.49 -2.15 114.58 116.98 1u48 h GLU 445 Ca 0.37 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1u48 h GLU 445 Cb 0.05 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1u48 h GLU 445 CO -0.13 0.69 -0.02 1.25 -0.73 0.00 0.00 179.01 180.06 1u48 h HIS 446 N 0.17 0.22 -0.70 0.92 2.76 -0.94 -1.01 115.15 116.56 1u48 h HIS 446 Ca 0.00 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1u48 h HIS 446 Cb 0.98 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 1u48 h HIS 446 CO 0.02 0.50 0.33 -0.07 -1.30 0.00 0.00 177.93 177.41 1u48 h LEU 447 N -0.12 0.91 -0.33 0.26 3.38 -1.22 -1.17 115.31 117.01 1u48 h LEU 447 Ca 0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1u48 h LEU 447 Cb 0.43 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u48 h LEU 447 CO 0.01 0.77 -0.07 0.58 0.09 0.00 0.00 178.44 179.83 1u48 h VAL 448 N 1.00 1.28 -0.66 1.22 2.07 -1.33 -1.24 116.25 118.58 1u48 h VAL 448 Ca 0.24 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1u48 h VAL 448 Cb 0.11 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1u48 h VAL 448 CO -0.03 0.36 0.38 0.03 0.02 0.00 0.00 177.57 178.33 1u48 h ARG 449 N 0.41 0.90 -0.24 1.57 3.08 -0.80 0.30 114.38 119.61 1u48 h ARG 449 Ca 0.09 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1u48 h ARG 449 Cb 0.55 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1u48 h ARG 449 CO 0.03 0.65 -0.10 0.87 -1.07 0.00 0.00 179.97 180.36 1u48 h LYS 450 N 0.91 0.49 -0.60 0.04 1.57 -1.03 -0.99 116.57 116.97 1u48 h LYS 450 Ca 0.24 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1u48 h LYS 450 Cb -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1u48 h LYS 450 CO -0.04 0.74 0.35 0.00 -0.57 0.00 0.00 179.45 179.93 1u48 h ALA 451 N 0.73 0.76 -0.74 3.86 0.00 -0.74 -0.96 119.26 122.17 1u48 h ALA 451 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1u48 h ALA 451 Cb 0.58 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1u48 h ALA 451 CO 0.03 0.26 0.48 0.00 0.00 0.00 0.00 179.25 180.02 1u48 h ALA 452 N 1.17 0.96 -0.17 0.00 0.00 -0.29 0.31 119.26 121.23 1u48 h ALA 452 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u48 h ALA 452 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1u48 h ALA 452 CO -0.04 0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.63 1u48 h ALA 453 N 1.29 0.21 -0.45 0.00 0.00 -0.62 -0.86 119.26 118.83 1u48 h ALA 453 Ca 0.28 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1u48 h ALA 453 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1u48 h ALA 453 CO -0.08 -0.27 0.26 0.82 0.00 0.00 0.00 179.25 179.98 1u48 h ILE 454 N 0.18 1.04 -0.93 0.00 2.04 -0.82 0.20 117.51 119.22 1u48 h ILE 454 Ca 0.06 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1u48 h ILE 454 Cb 0.05 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1u48 h ILE 454 CO -0.01 0.10 0.59 -0.25 0.00 0.00 0.00 178.15 178.58 1u48 h TRP 455 N 0.53 1.10 0.10 1.37 2.91 -0.60 -2.37 115.95 118.99 1u48 h TRP 455 Ca 0.18 0.03 -0.26 0.00 1.13 0.00 0.00 58.89 59.97 1u48 h TRP 455 Cb 0.02 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 28.31 1u48 h TRP 455 CO -0.07 0.56 -1.17 1.49 -1.03 0.00 0.00 178.44 178.22 1u48 h GLU 456 N 1.08 0.23 0.00 2.65 4.57 -0.52 -3.37 114.58 119.22 1u48 h GLU 456 Ca 0.41 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1u48 h GLU 456 Cb 0.17 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1u48 h GLU 456 CO -0.17 1.17 -0.40 1.28 -1.18 0.00 0.00 179.01 179.70 1u48 n LEU 457 N -3.52 0.69 -0.06 1.64 4.77 0.66 -4.32 117.00 116.86 1u48 n LEU 457 Ca -0.07 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1u48 n LEU 457 Cb 0.99 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1u48 n LEU 457 CO 0.52 -0.08 0.73 -0.08 -1.33 0.00 0.00 177.39 177.15 1u48 h GLU 458 N 0.00 -0.17 0.17 3.23 4.81 -1.59 -1.74 114.58 119.29 1u48 h GLU 458 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1u48 h GLU 458 Cb 0.72 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1u48 h GLU 458 CO 0.00 -0.11 -0.08 -0.09 -0.73 0.00 0.00 179.01 177.99 1u48 h ARG 459 N -0.18 -0.22 -0.38 1.92 2.43 -1.85 -0.71 114.38 115.39 1u48 h ARG 459 Ca 0.15 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1u48 h ARG 459 Cb 0.40 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1u48 h ARG 459 CO -0.38 -0.14 0.05 -1.00 -1.51 0.00 0.00 179.97 176.99 1u48 h PRO 460 N -0.24 0.57 -0.34 0.20 0.13 -1.76 -0.53 132.00 130.03 1u48 h PRO 460 Ca -0.02 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1u48 h PRO 460 Cb 0.18 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1u48 h PRO 460 CO 0.04 0.56 -0.11 0.74 -0.23 0.00 0.00 178.00 179.00 1u48 h PHE 461 N 0.55 0.76 -0.69 1.56 -1.00 -1.12 -2.18 116.94 114.83 1u48 h PHE 461 Ca 0.12 -0.17 -0.05 0.00 2.81 0.00 0.00 57.97 60.68 1u48 h PHE 461 Cb 0.28 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 1u48 h PHE 461 CO 0.01 0.85 0.23 -0.07 -1.61 0.00 0.00 178.31 177.73 1u48 h LEU 462 N 0.46 0.96 -0.31 1.54 3.38 -0.87 -1.13 115.31 119.34 1u48 h LEU 462 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1u48 h LEU 462 Cb 0.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1u48 h LEU 462 CO 0.04 0.89 0.13 0.44 0.09 0.00 0.00 178.44 180.03 1u48 h ASP 463 N 1.01 0.43 -0.38 -0.43 3.45 -0.99 0.02 116.42 119.53 1u48 h ASP 463 Ca 0.23 -0.16 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 1u48 h ASP 463 Cb 0.26 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1u48 h ASP 463 CO -0.01 0.47 -0.15 -0.08 -1.57 0.00 0.00 179.24 177.90 1u48 h GLU 464 N 0.36 0.84 -0.83 3.56 4.81 -1.20 -1.49 114.58 120.64 1u48 h GLU 464 Ca 0.11 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1u48 h GLU 464 Cb 0.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1u48 h GLU 464 CO -0.01 0.94 0.51 -0.07 -0.73 0.00 0.00 179.01 179.64 1u48 h LEU 465 N 0.75 0.99 -0.03 1.64 3.38 -0.97 -0.52 115.31 120.55 1u48 h LEU 465 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u48 h LEU 465 Cb 0.66 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u48 h LEU 465 CO 0.05 0.76 0.02 -0.09 0.09 0.00 0.00 178.44 179.26 1u48 h ARG 466 N 1.14 0.04 -0.88 1.13 2.43 -0.57 0.26 114.38 117.92 1u48 h ARG 466 Ca 0.30 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 1u48 h ARG 466 Cb -0.06 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 1u48 h ARG 466 CO -0.06 0.02 0.57 0.00 -1.51 0.00 0.00 179.97 179.00 1u48 h ARG 467 N 0.04 0.86 0.00 0.20 3.08 -0.75 0.18 114.38 117.98 1u48 h ARG 467 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1u48 h ARG 467 Cb -0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1u48 h ARG 467 CO -0.00 0.57 0.00 0.09 -1.07 0.00 0.00 179.97 179.56 1u48 n ASN 468 N -4.52 0.00 -2.38 7.04 4.13 -0.25 -4.88 115.26 114.39 1u48 n ASN 468 Ca 0.15 -0.41 -0.18 0.00 1.68 0.00 0.00 54.58 55.82 1u48 n ASN 468 Cb 0.30 -0.19 0.02 0.00 -1.54 0.00 0.00 39.78 38.37 1u48 n ASN 468 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1u48 n GLU 469 N -1.19 -3.47 -0.13 3.52 1.02 0.62 -4.90 120.64 116.11 1u48 n GLU 469 Ca 0.17 0.76 0.04 0.00 -0.02 0.00 0.00 57.16 58.11 1u48 n GLU 469 Cb 0.19 -5.25 0.11 0.00 -0.02 0.00 0.00 31.44 26.47 1u48 n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u48 n GLN 470 N -3.26 2.89 -0.23 3.49 6.02 0.81 -4.70 117.38 122.42 1u48 n GLN 470 Ca -0.11 -1.91 -0.07 0.00 -0.01 0.00 0.00 57.00 54.89 1u48 n GLN 470 Cb 0.61 -1.21 0.04 0.00 1.02 0.00 0.00 30.24 30.70 1u48 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1u48 h ASP 471 N 1.37 0.90 0.50 1.08 2.03 -1.83 -2.32 116.42 118.16 1u48 h ASP 471 Ca 0.00 -0.19 -0.15 0.00 -0.73 0.00 0.00 57.03 55.97 1u48 h ASP 471 Cb 0.69 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1u48 h ASP 471 CO 0.01 0.85 -0.64 0.03 -1.03 0.00 0.00 179.24 178.45 1u48 h ARG 472 N 0.91 0.13 -0.97 4.15 3.08 -1.92 -1.85 114.38 117.91 1u48 h ARG 472 Ca 0.21 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1u48 h ARG 472 Cb 0.25 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1u48 h ARG 472 CO -0.01 0.73 0.64 1.25 -1.07 0.00 0.00 179.97 181.51 1u48 h LEU 473 N 0.09 1.09 0.05 3.04 5.85 -1.75 0.55 115.31 124.23 1u48 h LEU 473 Ca -0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1u48 h LEU 473 Cb 1.15 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1u48 h LEU 473 CO 0.09 0.76 -0.02 0.25 -0.34 0.00 0.00 178.44 179.18 1u48 h LEU 474 N 1.27 -0.06 -0.54 2.25 5.85 -1.30 -0.87 115.31 121.91 1u48 h LEU 474 Ca 0.37 -0.57 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 1u48 h LEU 474 Cb -0.06 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1u48 h LEU 474 CO -0.10 0.66 -0.54 0.58 -0.34 0.00 0.00 178.44 178.71 1u48 h VAL 475 N -0.91 1.32 0.00 1.05 2.07 -1.23 -0.52 116.25 118.02 1u48 h VAL 475 Ca -0.01 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1u48 h VAL 475 Cb 0.62 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1u48 h VAL 475 CO 0.01 0.55 -1.27 -0.62 0.02 0.00 0.00 177.57 176.27 1u48 n GLU 476 N -3.96 0.75 0.00 1.57 1.02 0.19 -4.41 120.64 115.80 1u48 n GLU 476 Ca -0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1u48 n GLU 476 Cb 0.60 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1u48 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1u48 n LEU 477 N -1.72 0.00 -0.08 -4.62 7.94 -1.09 -4.70 117.00 112.73 1u48 n LEU 477 Ca 0.01 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.83 1u48 n LEU 477 Cb 0.37 -0.04 -0.01 0.00 0.53 0.00 0.00 43.42 44.27 1u48 n LEU 477 CO 0.39 -0.35 0.94 -0.33 -1.11 0.00 0.00 177.39 176.93 1u48 h GLU 478 N 0.00 0.26 -0.42 1.96 4.39 -1.20 -1.06 114.58 118.51 1u48 h GLU 478 Ca 0.00 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1u48 h GLU 478 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1u48 h GLU 478 CO 0.00 0.17 0.10 1.96 -1.16 0.00 0.00 179.01 180.08 1u48 h GLN 479 N 0.27 0.67 -0.24 2.33 4.20 -1.33 -0.43 115.11 120.58 1u48 h GLN 479 Ca 0.12 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1u48 h GLN 479 Cb 0.06 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1u48 h GLN 479 CO -0.10 0.69 -0.26 -1.35 -0.67 0.00 0.00 178.83 177.14 1u48 h PRO 480 N 0.53 0.45 -0.34 1.46 0.11 -1.75 -2.39 132.00 130.07 1u48 h PRO 480 Ca 0.13 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 1u48 h PRO 480 Cb 0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1u48 h PRO 480 CO 0.00 0.67 -0.03 1.25 -0.21 0.00 0.00 178.00 179.69 1u48 h LEU 481 N 0.40 0.52 -0.74 2.35 5.85 -0.91 -2.65 115.31 120.14 1u48 h LEU 481 Ca 0.06 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1u48 h LEU 481 Cb 0.66 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1u48 h LEU 481 CO 0.05 0.61 0.36 -1.28 -0.34 0.00 0.00 178.44 177.84 1u48 h SER 482 N 0.52 0.44 -0.27 1.25 0.87 -0.54 0.36 113.55 116.18 1u48 h SER 482 Ca 0.11 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1u48 h SER 482 Cb 0.38 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1u48 h SER 482 CO 0.02 0.24 -0.14 0.28 -0.53 0.00 0.00 176.83 176.69 1u48 h SER 483 N 0.58 0.70 -0.47 6.23 0.02 -1.46 -1.87 113.55 117.29 1u48 h SER 483 Ca 0.37 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1u48 h SER 483 Cb 0.44 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1u48 h SER 483 CO -0.30 0.86 -0.15 0.40 -1.14 0.00 0.00 176.83 176.50 1u48 h ILE 484 N 0.63 1.27 -0.57 3.27 2.04 -1.03 -2.30 117.51 120.84 1u48 h ILE 484 Ca 0.10 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1u48 h ILE 484 Cb 0.61 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1u48 h ILE 484 CO 0.04 0.45 0.10 -0.07 0.00 0.00 0.00 178.15 178.66 1u48 h LEU 485 N 0.78 0.86 -0.67 1.44 3.38 -0.84 -1.47 115.31 118.79 1u48 h LEU 485 Ca 0.11 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1u48 h LEU 485 Cb 0.71 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1u48 h LEU 485 CO 0.05 0.86 0.43 0.00 0.09 0.00 0.00 178.44 179.87 1u48 h ALA 486 N 1.24 0.86 -0.48 1.53 0.00 -1.07 0.81 119.26 122.16 1u48 h ALA 486 Ca 0.18 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1u48 h ALA 486 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u48 h ALA 486 CO 0.01 0.22 0.04 0.93 0.00 0.00 0.00 179.25 180.45 1u48 h GLU 487 N 0.85 0.82 -0.34 0.00 5.08 -1.00 -1.65 114.58 118.34 1u48 h GLU 487 Ca 0.26 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1u48 h GLU 487 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1u48 h GLU 487 CO -0.08 0.84 0.20 0.52 -1.00 0.00 0.00 179.01 179.49 1u48 h MET 488 N 0.68 0.47 -0.28 2.33 2.86 -0.70 0.05 114.93 120.35 1u48 h MET 488 Ca 0.14 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1u48 h MET 488 Cb 0.45 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1u48 h MET 488 CO 0.02 0.37 0.07 0.93 1.06 0.00 0.00 176.91 179.36 1u48 h GLU 489 N 0.44 0.44 -0.85 1.72 5.08 -0.80 -1.74 114.58 118.87 1u48 h GLU 489 Ca 0.12 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1u48 h GLU 489 Cb 0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1u48 h GLU 489 CO -0.02 0.52 0.40 0.35 -1.00 0.00 0.00 179.01 179.26 1u48 h PHE 490 N 0.28 1.22 -0.43 4.33 3.57 -1.17 -2.90 116.94 121.84 1u48 h PHE 490 Ca 0.09 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1u48 h PHE 490 Cb 0.28 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1u48 h PHE 490 CO 0.01 0.89 0.00 0.00 -2.23 0.00 0.00 178.31 176.98 1u48 h ALA 491 N 1.22 0.58 -1.77 2.41 0.00 -0.84 -3.49 119.26 117.36 1u48 h ALA 491 Ca 0.29 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1u48 h ALA 491 Cb 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1u48 h ALA 491 CO -0.04 0.36 -0.30 0.41 0.00 0.00 0.00 179.25 179.69 1u48 n GLY 492 N -0.37 -1.67 3.14 0.00 0.00 -0.67 -4.90 105.19 100.72 1u48 n GLY 492 Ca -0.00 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1u48 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u48 s VAL 493 N -1.75 1.60 0.27 1.61 1.01 -0.77 -4.95 120.40 117.42 1u48 s VAL 493 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1u48 s VAL 493 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 1u48 s VAL 493 CO 0.00 0.46 1.13 -0.75 0.00 0.00 0.00 175.10 175.94 1u48 s LYS 494 N 0.33 4.60 -0.07 2.72 2.47 -1.24 -1.34 119.74 127.21 1u48 s LYS 494 Ca -0.13 1.85 0.05 0.00 -1.56 0.00 0.00 55.97 56.18 1u48 s LYS 494 Cb -0.15 -3.19 -0.00 0.00 -1.46 0.00 0.00 37.83 33.02 1u48 s LYS 494 CO 0.05 0.14 -0.22 0.08 0.16 0.00 0.00 175.35 175.56 1u48 s VAL 495 N -1.00 1.87 -1.07 4.02 1.01 0.11 -1.74 120.40 123.60 1u48 s VAL 495 Ca 0.46 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1u48 s VAL 495 Cb -0.33 -1.60 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1u48 s VAL 495 CO 0.41 0.52 1.39 -0.62 0.00 0.00 0.00 175.10 176.81 1u48 s ASP 496 N 0.10 6.68 0.33 3.32 -1.08 0.12 -4.84 116.67 121.30 1u48 s ASP 496 Ca -0.09 -2.04 0.01 0.00 -0.52 0.00 0.00 52.55 49.90 1u48 s ASP 496 Cb -0.15 -2.49 0.57 0.00 -1.46 0.00 0.00 42.92 39.39 1u48 s ASP 496 CO 0.05 -1.20 1.99 0.71 0.52 0.00 0.00 175.17 177.25 1u48 h THR 497 N 5.97 1.17 -0.84 1.71 1.35 -1.91 -2.10 112.91 118.26 1u48 h THR 497 Ca 0.25 -0.33 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 1u48 h THR 497 Cb 0.97 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 1u48 h THR 497 CO 1.30 0.17 0.55 0.11 -0.25 0.00 0.00 175.52 177.40 1u48 h LYS 498 N 0.96 1.11 -0.35 4.72 1.57 -1.99 -0.56 116.57 122.03 1u48 h LYS 498 Ca 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1u48 h LYS 498 Cb -0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 1u48 h LYS 498 CO -0.06 0.75 0.13 -0.09 -0.57 0.00 0.00 179.45 179.61 1u48 h ARG 499 N 1.14 0.52 -0.41 3.15 2.43 -1.80 -0.42 114.38 118.99 1u48 h ARG 499 Ca 0.31 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1u48 h ARG 499 Cb -0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1u48 h ARG 499 CO -0.06 0.52 0.20 -0.07 -1.51 0.00 0.00 179.97 179.05 1u48 h LEU 500 N 0.42 0.28 -1.40 3.80 3.38 -1.03 -0.82 115.31 119.94 1u48 h LEU 500 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1u48 h LEU 500 Cb 0.20 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1u48 h LEU 500 CO -0.01 0.20 0.36 -0.33 0.09 0.00 0.00 178.44 178.76 1u48 h GLU 501 N 0.40 0.77 0.58 1.13 5.08 -0.83 0.21 114.58 121.93 1u48 h GLU 501 Ca 0.18 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1u48 h GLU 501 Cb 0.10 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1u48 h GLU 501 CO -0.13 0.53 -0.28 1.96 -1.00 0.00 0.00 179.01 180.09 1u48 h GLN 502 N 0.79 -0.75 -0.80 2.33 4.20 -0.10 -1.42 115.11 119.37 1u48 h GLN 502 Ca 0.21 0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.08 1u48 h GLN 502 Cb -0.06 0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 1u48 h GLN 502 CO -0.04 -0.47 0.42 0.52 -0.67 0.00 0.00 178.83 178.59 1u48 h MET 503 N -0.84 0.65 -0.39 1.46 2.86 -0.54 0.64 114.93 118.77 1u48 h MET 503 Ca -0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1u48 h MET 503 Cb 0.62 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1u48 h MET 503 CO 0.13 0.43 0.23 0.78 1.06 0.00 0.00 176.91 179.54 1u48 h GLY 504 N 0.67 0.56 0.84 8.32 0.00 -0.36 0.11 103.07 113.21 1u48 h GLY 504 Ca 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1u48 h GLY 504 CO -0.29 0.22 -0.12 1.70 0.00 0.00 0.00 176.54 178.04 1u48 h LYS 505 N 0.53 -0.32 -0.83 4.80 1.63 0.23 -0.86 116.57 121.75 1u48 h LYS 505 Ca 0.14 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1u48 h LYS 505 Cb -0.02 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1u48 h LYS 505 CO -0.03 -0.10 0.43 0.93 -3.45 0.00 0.00 179.45 177.24 1u48 h GLU 506 N -0.50 1.18 -0.41 1.90 5.08 -0.89 -2.56 114.58 118.38 1u48 h GLU 506 Ca -0.03 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1u48 h GLU 506 Cb 0.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u48 h GLU 506 CO 0.06 0.89 0.24 -0.07 -1.00 0.00 0.00 179.01 179.12 1u48 h LEU 507 N 1.17 0.49 -1.39 1.33 -0.00 -0.70 -1.58 115.31 114.62 1u48 h LEU 507 Ca 0.29 -0.06 0.06 0.00 -0.00 0.00 0.00 57.88 58.18 1u48 h LEU 507 Cb 0.07 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 1u48 h LEU 507 CO -0.04 0.40 0.47 0.00 -0.00 0.00 0.00 178.44 179.27 1u48 h ALA 508 N 1.11 1.72 0.00 1.53 0.00 -0.79 0.40 119.26 123.23 1u48 h ALA 508 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1u48 h ALA 508 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1u48 h ALA 508 CO -0.03 0.17 -0.00 1.49 0.00 0.00 0.00 179.25 180.88 1u48 h GLU 509 N 0.74 -0.00 -0.87 0.00 4.22 -1.08 -2.32 114.58 115.26 1u48 h GLU 509 Ca 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.72 1u48 h GLU 509 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1u48 h GLU 509 CO -0.10 0.65 0.44 1.96 -2.18 0.00 0.00 179.01 179.78 1u48 h GLN 510 N -0.66 1.23 -0.40 1.92 4.20 -0.93 -1.97 115.11 118.51 1u48 h GLN 510 Ca -0.00 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1u48 h GLN 510 Cb 0.65 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1u48 h GLN 510 CO 0.00 0.93 -0.04 1.25 -0.67 0.00 0.00 178.83 180.30 1u48 h LEU 511 N 1.22 0.63 -0.72 1.46 5.85 -0.28 -1.80 115.31 121.68 1u48 h LEU 511 Ca 0.30 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1u48 h LEU 511 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1u48 h LEU 511 CO -0.04 0.73 -0.31 1.23 -0.34 0.00 0.00 178.44 179.71 1u48 h GLY 512 N 0.94 0.69 0.62 3.75 0.00 -0.81 -1.21 103.07 107.04 1u48 h GLY 512 Ca 0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1u48 h GLY 512 CO 0.02 0.57 -0.08 -0.84 0.00 0.00 0.00 176.54 176.21 1u48 h THR 513 N 0.54 0.95 -0.45 4.70 2.02 -1.00 -2.51 112.91 117.17 1u48 h THR 513 Ca 0.06 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1u48 h THR 513 Cb 0.80 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1u48 h THR 513 CO 0.07 0.17 0.24 0.58 0.37 0.00 0.00 175.52 176.94 1u48 h VAL 514 N -0.62 1.14 0.09 3.16 2.07 -1.36 -1.43 116.25 119.31 1u48 h VAL 514 Ca -0.02 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1u48 h VAL 514 Cb 0.46 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1u48 h VAL 514 CO 0.04 0.16 -0.04 -0.08 0.02 0.00 0.00 177.57 177.67 1u48 h GLU 515 N 0.62 -0.12 -0.48 1.57 4.81 -1.15 -0.45 114.58 119.39 1u48 h GLU 515 Ca 0.16 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1u48 h GLU 515 Cb 0.03 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1u48 h GLU 515 CO -0.03 -0.06 0.14 1.96 -0.73 0.00 0.00 179.01 180.30 1u48 h GLN 516 N -0.14 0.74 -0.84 1.92 1.08 -1.16 -2.42 115.11 114.29 1u48 h GLN 516 Ca -0.01 -0.17 0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1u48 h GLN 516 Cb 0.11 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1u48 h GLN 516 CO 0.02 0.71 0.55 -0.09 -0.95 0.00 0.00 178.83 179.07 1u48 h ARG 517 N 0.64 0.72 -0.24 1.46 9.65 -1.05 0.57 114.38 126.12 1u48 h ARG 517 Ca 0.15 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 1u48 h ARG 517 Cb 0.28 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1u48 h ARG 517 CO -0.00 0.48 -0.13 0.82 2.80 0.00 0.00 179.97 183.94 1u48 h ILE 518 N 0.75 1.30 -0.65 1.20 2.04 -0.61 -1.60 117.51 119.93 1u48 h ILE 518 Ca 0.40 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1u48 h ILE 518 Cb 0.53 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1u48 h ILE 518 CO -0.17 0.38 0.20 1.88 0.00 0.00 0.00 178.15 180.44 1u48 h TYR 519 N 0.24 1.03 -0.81 1.37 0.05 -0.91 -0.44 116.97 117.49 1u48 h TYR 519 Ca 0.05 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.79 1u48 h TYR 519 Cb 0.63 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.02 1u48 h TYR 519 CO 0.06 0.82 0.50 1.49 -1.05 0.00 0.00 178.16 179.99 1u48 h GLU 520 N 0.96 0.92 0.00 4.88 4.81 -0.74 0.31 114.58 125.73 1u48 h GLU 520 Ca 0.21 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1u48 h GLU 520 Cb 0.28 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1u48 h GLU 520 CO -0.01 0.61 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.68 1u48 h LEU 521 N 0.95 0.00 0.00 1.64 3.38 -0.73 -3.17 115.31 117.37 1u48 h LEU 521 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1u48 h LEU 521 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1u48 h LEU 521 CO -0.14 0.13 -0.87 0.00 0.09 0.00 0.00 178.44 177.65 1u48 n ALA 522 N -2.13 3.02 -1.63 1.53 0.00 -0.23 -4.95 120.51 116.12 1u48 n ALA 522 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1u48 n ALA 522 Cb 0.56 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1u48 n ALA 522 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u48 n GLY 523 N 1.32 0.47 0.00 0.00 0.00 0.10 -4.97 105.19 102.11 1u48 n GLY 523 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1u48 n GLY 523 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u48 n GLN 524 N -2.17 -1.21 -4.05 1.61 10.64 -0.80 -5.04 117.38 116.36 1u48 n GLN 524 Ca -0.06 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.80 1u48 n GLN 524 Cb 0.36 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.68 1u48 n GLN 524 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1u48 s GLU 525 N -2.00 3.04 0.24 2.61 2.02 -1.26 -4.35 118.70 119.00 1u48 s GLU 525 Ca 0.00 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.21 1u48 s GLU 525 Cb 0.00 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.44 1u48 s GLU 525 CO 0.00 0.61 0.82 -0.59 0.02 0.00 0.00 175.26 176.12 1u48 s PHE 526 N -1.32 -0.13 -0.69 1.61 -0.71 -1.26 -5.10 117.98 110.38 1u48 s PHE 526 Ca 0.27 -0.30 -0.23 0.00 -1.04 0.00 0.00 56.93 55.64 1u48 s PHE 526 Cb -0.12 0.70 0.07 0.00 -1.21 0.00 0.00 43.02 42.46 1u48 s PHE 526 CO 0.19 -1.12 1.01 1.21 -1.34 0.00 0.00 175.22 175.18 1u48 s ASN 527 N -2.96 6.20 0.55 1.98 3.04 -1.26 -4.88 114.94 117.61 1u48 s ASN 527 Ca 0.12 -1.00 0.23 0.00 0.04 0.00 0.00 52.86 52.25 1u48 s ASN 527 Cb -0.04 -2.43 1.47 0.00 -1.54 0.00 0.00 41.25 38.70 1u48 s ASN 527 CO 0.06 -1.46 2.13 0.40 -3.04 0.00 0.00 177.10 175.18 1u48 h ILE 528 N 5.98 0.76 0.00 -5.21 2.04 -1.99 -1.06 117.51 118.04 1u48 h ILE 528 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1u48 h ILE 528 Cb 1.06 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1u48 h ILE 528 CO 1.19 0.00 0.00 0.59 0.00 0.00 0.00 178.15 179.93 1u48 n ASN 529 N -4.24 0.00 -4.41 1.72 4.13 -1.26 -4.58 115.26 106.61 1u48 n ASN 529 Ca 0.00 -0.16 -0.44 0.00 1.68 0.00 0.00 54.58 55.66 1u48 n ASN 529 Cb 0.24 -0.23 -0.07 0.00 -1.54 0.00 0.00 39.78 38.18 1u48 n ASN 529 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1u48 s SER 530 N -2.46 6.19 0.44 6.41 0.15 -0.40 -4.90 113.70 119.12 1u48 s SER 530 Ca 0.23 -1.15 0.24 0.00 0.70 0.00 0.00 55.95 55.98 1u48 s SER 530 Cb 0.15 -2.24 1.32 0.00 -1.71 0.00 0.00 66.02 63.54 1u48 s SER 530 CO 0.32 -0.79 1.72 -0.65 1.20 0.00 0.00 173.24 175.03 1u48 h PRO 531 N 8.89 0.00 0.00 5.44 0.11 -1.86 0.10 132.00 144.68 1u48 h PRO 531 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u48 h PRO 531 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u48 h PRO 531 CO 0.93 0.00 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.47 1u48 h LYS 532 N 0.00 0.00 -0.78 1.05 3.64 -1.92 -2.80 116.57 115.76 1u48 h LYS 532 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1u48 h LYS 532 Cb 0.28 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1u48 h LYS 532 CO 0.00 0.18 0.39 1.96 -2.27 0.00 0.00 179.45 179.71 1u48 h GLN 533 N -1.00 1.12 0.12 1.90 4.20 -1.65 -2.82 115.11 116.98 1u48 h GLN 533 Ca -0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1u48 h GLN 533 Cb 0.21 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1u48 h GLN 533 CO -0.00 0.86 -0.06 1.25 -0.67 0.00 0.00 178.83 180.21 1u48 h LEU 534 N 1.10 -0.13 -1.89 1.46 5.85 -0.99 -2.12 115.31 118.59 1u48 h LEU 534 Ca 0.27 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.13 1u48 h LEU 534 Cb 0.10 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1u48 h LEU 534 CO -0.04 -0.10 0.39 1.23 -0.34 0.00 0.00 178.44 179.58 1u48 h GLY 535 N -0.16 0.18 1.00 3.75 0.00 -1.33 0.52 103.07 107.03 1u48 h GLY 535 Ca -0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 1u48 h GLY 535 CO 0.03 0.02 -0.63 -2.08 0.00 0.00 0.00 176.54 173.88 1u48 h VAL 536 N 0.11 1.33 -0.25 4.60 2.07 -1.20 -0.71 116.25 122.20 1u48 h VAL 536 Ca 0.26 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1u48 h VAL 536 Cb 0.88 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1u48 h VAL 536 CO -0.03 0.58 0.03 0.40 0.02 0.00 0.00 177.57 178.58 1u48 h ILE 537 N 0.28 1.23 0.32 4.57 1.08 -0.53 -0.93 117.51 123.54 1u48 h ILE 537 Ca -0.05 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1u48 h ILE 537 Cb 1.27 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1u48 h ILE 537 CO 0.13 0.25 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.62 1u48 h LEU 538 N 0.23 -0.37 -0.51 1.44 3.38 -1.02 -0.91 115.31 117.55 1u48 h LEU 538 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u48 h LEU 538 Cb 0.34 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1u48 h LEU 538 CO 0.01 0.10 -0.06 0.49 0.09 0.00 0.00 178.44 179.06 1u48 n PHE 539 N -5.07 0.00 0.00 1.13 3.72 -0.27 -1.47 117.46 115.50 1u48 n PHE 539 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1u48 n PHE 539 Cb 0.25 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1u48 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u48 n GLU 540 N -0.47 0.00 -0.02 -1.08 1.02 -0.51 -4.46 120.64 115.12 1u48 n GLU 540 Ca 0.18 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.16 1u48 n GLU 540 Cb 0.28 -0.40 -0.10 0.00 -0.02 0.00 0.00 31.44 31.20 1u48 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1u48 h LYS 541 N 0.00 0.32 -0.01 3.49 3.11 -1.08 -3.31 116.57 119.09 1u48 h LYS 541 Ca 0.00 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1u48 h LYS 541 Cb 0.67 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1u48 h LYS 541 CO 0.00 0.96 -0.33 1.28 -2.81 0.00 0.00 179.45 178.55 1u48 n LEU 542 N -4.39 1.67 -1.41 5.20 4.77 -0.36 -4.97 117.00 117.50 1u48 n LEU 542 Ca -0.09 -0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 55.15 1u48 n LEU 542 Cb 0.54 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1u48 n LEU 542 CO 0.42 0.31 -0.17 0.00 -1.33 0.00 0.00 177.39 176.62 1u48 n GLN 543 N -0.16 -1.23 -1.83 3.23 1.13 -1.14 -4.97 117.38 112.42 1u48 n GLN 543 Ca 0.11 1.08 -0.37 0.00 -1.94 0.00 0.00 57.00 55.88 1u48 n GLN 543 Cb 0.42 -5.34 0.05 0.00 0.11 0.00 0.00 30.24 25.48 1u48 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u48 s LEU 544 N -4.09 3.71 0.48 1.08 1.43 -0.54 -4.94 118.68 115.81 1u48 s LEU 544 Ca 0.00 2.62 -0.23 0.00 -1.03 0.00 0.00 54.13 55.49 1u48 s LEU 544 Cb 0.00 -4.48 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 1u48 s LEU 544 CO 0.00 -1.72 1.21 -2.16 0.23 0.00 0.00 176.35 173.91 1u48 s PRO 545 N -3.17 3.61 -0.53 1.29 0.04 -1.26 -4.54 135.00 130.45 1u48 s PRO 545 Ca 0.77 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 63.53 1u48 s PRO 545 Cb -0.37 -2.38 0.10 0.00 0.04 0.00 0.00 34.50 31.90 1u48 s PRO 545 CO 0.41 -0.70 0.51 0.08 0.04 0.00 0.00 177.00 177.34 1u48 s VAL 546 N -1.48 5.12 -0.27 -0.36 1.01 -1.26 -4.88 120.40 118.28 1u48 s VAL 546 Ca 0.65 -1.19 0.23 0.00 0.00 0.00 0.00 61.98 61.67 1u48 s VAL 546 Cb -0.32 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 1u48 s VAL 546 CO 0.38 -0.82 0.93 0.18 0.00 0.00 0.00 175.10 175.77 1u48 n LEU 547 N 5.50 0.61 -3.70 3.92 4.77 -1.26 -4.94 117.00 121.91 1u48 n LEU 547 Ca -0.12 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1u48 n LEU 547 Cb 0.42 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1u48 n LEU 547 CO 0.53 -0.10 0.16 -0.75 -1.33 0.00 0.00 177.39 175.89 1u48 s LYS 548 N -3.36 0.63 0.14 3.23 2.20 -1.26 -5.15 119.74 116.17 1u48 s LYS 548 Ca -0.01 0.43 0.11 0.00 -0.36 0.00 0.00 55.97 56.13 1u48 s LYS 548 Cb 0.11 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1u48 s LYS 548 CO 0.82 -0.12 -0.24 0.21 -0.36 0.00 0.00 175.35 175.66 1u48 s LYS 549 N -0.25 1.52 0.00 4.03 2.20 -1.26 -2.74 119.74 123.24 1u48 s LYS 549 Ca -0.04 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1u48 s LYS 549 Cb -0.03 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 1u48 s LYS 549 CO 0.02 0.45 0.00 0.25 -0.36 0.00 0.00 175.35 175.71 1u48 n THR 550 N 0.75 0.00 0.00 3.43 -2.24 0.33 -4.74 114.28 111.81 1u48 n THR 550 Ca -0.16 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1u48 n THR 550 Cb 0.53 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1u48 n THR 550 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1u48 n LYS 551 N -0.69 0.00 -0.00 -0.78 4.81 -1.26 -4.90 118.16 115.34 1u48 n LYS 551 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1u48 n LYS 551 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1u48 n LYS 551 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1u48 n THR 552 N -0.01 0.00 0.00 3.15 5.66 -1.26 -5.11 114.28 116.71 1u48 n THR 552 Ca 0.00 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1u48 n THR 552 Cb 0.00 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1u48 n THR 552 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u48 n GLY 553 N 1.57 -0.82 3.77 1.09 0.00 -1.26 -5.15 105.19 104.39 1u48 n GLY 553 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1u48 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u48 s TYR 554 N -4.00 3.33 -0.21 1.61 4.12 -1.26 -0.51 117.35 120.43 1u48 s TYR 554 Ca 0.00 1.60 -0.19 0.00 0.02 0.00 0.00 57.07 58.51 1u48 s TYR 554 Cb 0.00 -3.38 -0.03 0.00 -1.52 0.00 0.00 41.96 37.03 1u48 s TYR 554 CO 0.00 -1.00 0.53 0.45 0.02 0.00 0.00 175.55 175.55 1u48 s SER 555 N -0.92 6.55 -0.19 2.29 0.15 -1.11 -4.51 113.70 115.96 1u48 s SER 555 Ca 0.49 0.66 0.13 0.00 0.70 0.00 0.00 55.95 57.94 1u48 s SER 555 Cb -0.32 -2.30 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 1u48 s SER 555 CO 0.42 -0.21 1.23 0.35 1.20 0.00 0.00 173.24 176.23 1u48 n THR 556 N 4.67 2.15 -1.96 6.45 -2.24 -1.26 -4.86 114.28 117.23 1u48 n THR 556 Ca -0.04 -2.83 -0.37 0.00 -2.27 0.00 0.00 64.05 58.54 1u48 n THR 556 Cb 0.50 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1u48 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u48 s SER 557 N -2.99 5.30 0.36 3.42 1.04 -1.26 -4.72 113.70 114.84 1u48 s SER 557 Ca 0.37 2.51 0.15 0.00 0.48 0.00 0.00 55.95 59.45 1u48 s SER 557 Cb 0.34 -2.61 1.02 0.00 0.10 0.00 0.00 66.02 64.87 1u48 s SER 557 CO -0.02 -1.53 1.74 0.00 0.98 0.00 0.00 173.24 174.40 1u48 h ALA 558 N 1.19 2.03 -0.38 5.32 0.00 -1.99 0.31 119.26 125.74 1u48 h ALA 558 Ca -0.50 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1u48 h ALA 558 Cb 1.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1u48 h ALA 558 CO 0.56 -0.50 0.05 0.38 0.00 0.00 0.00 179.25 179.74 1u48 h ASP 559 N 0.46 0.53 0.17 0.00 3.04 -2.00 -1.27 116.42 117.35 1u48 h ASP 559 Ca 0.64 -0.09 -0.31 0.00 -3.24 0.00 0.00 57.03 54.03 1u48 h ASP 559 Cb 1.44 -0.14 0.03 0.00 -1.04 0.00 0.00 39.33 39.63 1u48 h ASP 559 CO -0.41 0.57 -1.33 1.62 -2.04 0.00 0.00 179.24 177.65 1u48 h VAL 560 N 0.55 1.28 -0.88 4.15 3.04 -1.31 -3.29 116.25 119.78 1u48 h VAL 560 Ca 0.12 -2.54 0.02 0.00 -1.01 0.00 0.00 66.70 63.30 1u48 h VAL 560 Cb 0.28 2.81 -0.05 0.00 -2.01 0.00 0.00 31.29 32.32 1u48 h VAL 560 CO 0.00 0.77 0.58 -0.07 -1.01 0.00 0.00 177.57 177.84 1u48 h LEU 561 N 0.24 0.98 -1.72 3.16 3.38 -1.10 -1.17 115.31 119.08 1u48 h LEU 561 Ca -0.21 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.87 1u48 h LEU 561 Cb 2.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 1u48 h LEU 561 CO 0.25 0.69 0.43 -0.33 0.09 0.00 0.00 178.44 179.57 1u48 h GLU 562 N 1.15 0.29 0.00 1.13 5.08 -1.30 0.95 114.58 121.87 1u48 h GLU 562 Ca 0.34 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1u48 h GLU 562 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1u48 h GLU 562 CO -0.10 0.19 -0.71 0.87 -1.00 0.00 0.00 179.01 178.26 1u48 h LYS 563 N 0.29 0.00 0.00 2.33 1.57 -1.29 -3.19 116.57 116.28 1u48 h LYS 563 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1u48 h LYS 563 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1u48 h LYS 563 CO -0.07 0.71 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.05 1u48 h LEU 564 N 0.00 0.00 -0.99 2.94 3.38 -0.51 -3.38 115.31 116.76 1u48 h LEU 564 Ca -0.01 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.13 1u48 h LEU 564 Cb 1.41 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.98 1u48 h LEU 564 CO 0.09 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.31 1u48 n ALA 565 N -2.11 0.06 0.38 1.53 0.00 0.10 0.21 120.51 120.68 1u48 n ALA 565 Ca 0.03 1.03 0.03 0.00 0.00 0.00 0.00 53.44 54.53 1u48 n ALA 565 Cb 0.53 -0.54 0.19 0.00 0.00 0.00 0.00 19.45 19.62 1u48 n ALA 565 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1u48 n PRO 566 N -5.53 0.17 -0.08 0.00 -0.04 -1.26 -2.96 135.00 125.30 1u48 n PRO 566 Ca 0.13 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 1u48 n PRO 566 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 1u48 n PRO 566 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u48 n TYR 567 N -1.08 0.33 -3.75 0.54 4.02 0.13 -5.01 117.16 112.35 1u48 n TYR 567 Ca 0.04 0.09 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1u48 n TYR 567 Cb 0.03 -1.05 -0.10 0.00 -0.02 0.00 0.00 39.34 38.20 1u48 n TYR 567 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1u48 s HIS 568 N -2.53 -0.33 0.27 -0.72 2.46 -1.15 -5.03 115.29 108.26 1u48 s HIS 568 Ca -0.19 0.73 0.37 0.00 0.47 0.00 0.00 55.06 56.44 1u48 s HIS 568 Cb 0.07 0.13 1.79 0.00 -0.13 0.00 0.00 32.58 34.45 1u48 s HIS 568 CO 0.75 -0.27 2.10 1.49 -2.47 0.00 0.00 174.74 176.34 1u48 h GLU 569 N 4.91 0.00 -0.04 2.88 4.81 -1.94 -2.81 114.58 122.39 1u48 h GLU 569 Ca -0.28 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.86 1u48 h GLU 569 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1u48 h GLU 569 CO 0.32 0.00 -0.39 0.97 -0.73 0.00 0.00 179.01 179.18 1u48 h ILE 570 N 0.00 1.29 -0.53 2.32 2.10 -1.92 -3.24 117.51 117.52 1u48 h ILE 570 Ca 0.00 -1.39 0.01 0.00 1.08 0.00 0.00 64.86 64.56 1u48 h ILE 570 Cb 0.22 1.69 -0.03 0.00 -1.09 0.00 0.00 36.82 37.61 1u48 h ILE 570 CO 0.00 0.40 0.35 0.58 -1.08 0.00 0.00 178.15 178.40 1u48 h VAL 571 N 0.08 1.12 -0.78 2.19 2.07 -1.82 -1.06 116.25 118.05 1u48 h VAL 571 Ca 0.01 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1u48 h VAL 571 Cb 0.72 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1u48 h VAL 571 CO 0.05 0.13 0.29 1.05 0.02 0.00 0.00 177.57 179.11 1u48 h GLU 572 N 0.70 1.18 -0.39 1.57 4.11 -1.76 -1.73 114.58 118.26 1u48 h GLU 572 Ca 0.20 -0.23 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1u48 h GLU 572 Cb -0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1u48 h GLU 572 CO -0.05 0.97 -0.02 -0.91 0.07 0.00 0.00 179.01 179.06 1u48 h ASN 573 N 1.14 0.60 0.07 3.06 2.35 -1.53 -0.62 115.58 120.66 1u48 h ASN 573 Ca 0.26 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 1u48 h ASN 573 Cb 0.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1u48 h ASN 573 CO -0.02 0.69 -0.46 0.40 -1.65 0.00 0.00 177.43 176.39 1u48 h ILE 574 N 0.59 1.32 -0.24 2.81 2.04 -0.80 0.70 117.51 123.92 1u48 h ILE 574 Ca 0.12 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.23 1u48 h ILE 574 Cb 0.41 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1u48 h ILE 574 CO 0.02 0.51 -0.22 -0.07 0.00 0.00 0.00 178.15 178.39 1u48 h LEU 575 N 0.37 0.61 -0.64 1.44 3.38 -0.89 0.88 115.31 120.46 1u48 h LEU 575 Ca 0.02 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1u48 h LEU 575 Cb 0.95 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1u48 h LEU 575 CO 0.08 0.95 0.33 -0.74 0.09 0.00 0.00 178.44 179.15 1u48 h HIS 576 N 0.28 0.91 -0.52 1.13 2.76 -1.00 -0.35 115.15 118.36 1u48 h HIS 576 Ca 0.04 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1u48 h HIS 576 Cb 0.77 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 1u48 h HIS 576 CO 0.07 0.67 0.27 -0.92 -1.30 0.00 0.00 177.93 176.73 1u48 h TYR 577 N 0.88 0.73 -0.27 5.26 3.20 -0.72 -0.91 116.97 125.15 1u48 h TYR 577 Ca 0.22 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1u48 h TYR 577 Cb 0.09 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1u48 h TYR 577 CO -0.00 0.55 0.08 0.00 -1.64 0.00 0.00 178.16 177.15 1u48 h ARG 578 N 0.69 0.19 0.70 1.82 2.47 -0.26 0.72 114.38 120.70 1u48 h ARG 578 Ca 0.18 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1u48 h ARG 578 Cb 0.08 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1u48 h ARG 578 CO -0.03 0.13 -0.49 0.37 0.56 0.00 0.00 179.97 180.51 1u48 h GLN 579 N 0.20 -1.09 -0.65 0.04 4.15 -0.65 -0.69 115.11 116.41 1u48 h GLN 579 Ca 0.12 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.65 1u48 h GLN 579 Cb 0.10 0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1u48 h GLN 579 CO -0.14 -0.73 0.40 -0.07 -1.93 0.00 0.00 178.83 176.37 1u48 h LEU 580 N -1.13 0.65 -1.51 -2.39 3.38 -1.11 -2.10 115.31 111.09 1u48 h LEU 580 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1u48 h LEU 580 Cb 0.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1u48 h LEU 580 CO 0.05 0.45 0.07 1.23 0.09 0.00 0.00 178.44 180.33 1u48 h GLY 581 N 0.78 0.42 0.89 0.83 0.00 -0.75 0.87 103.07 106.10 1u48 h GLY 581 Ca 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1u48 h GLY 581 CO -0.11 0.19 -0.08 1.70 0.00 0.00 0.00 176.54 178.24 1u48 h LYS 582 N 0.39 0.57 -0.37 4.80 1.63 -0.46 -2.21 116.57 120.91 1u48 h LYS 582 Ca 0.09 -0.22 -0.07 0.00 -0.85 0.00 0.00 60.65 59.60 1u48 h LYS 582 Cb 0.15 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1u48 h LYS 582 CO -0.00 0.77 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.64 1u48 h LEU 583 N 0.33 0.69 0.42 5.20 3.38 -0.92 -2.21 115.31 122.21 1u48 h LEU 583 Ca 0.07 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1u48 h LEU 583 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u48 h LEU 583 CO 0.03 0.87 -0.20 -0.61 0.09 0.00 0.00 178.44 178.62 1u48 h GLN 584 N 0.50 -0.54 0.08 1.13 5.75 -0.82 -0.57 115.11 120.65 1u48 h GLN 584 Ca 0.10 0.04 -0.29 0.00 -0.15 0.00 0.00 58.65 58.35 1u48 h GLN 584 Cb 0.55 0.12 0.02 0.00 1.07 0.00 0.00 27.48 29.25 1u48 h GLN 584 CO 0.03 -0.30 -1.18 0.66 -2.65 0.00 0.00 178.83 175.40 1u48 h SER 585 N -0.68 0.85 0.08 -0.69 4.64 -1.49 -0.52 113.55 115.74 1u48 h SER 585 Ca -0.06 -0.75 -0.23 0.00 -0.47 0.00 0.00 61.79 60.28 1u48 h SER 585 Cb 0.49 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1u48 h SER 585 CO 0.09 1.56 -1.22 0.74 -0.87 0.00 0.00 176.83 177.13 1u48 h THR 586 N 0.30 1.09 0.00 2.95 2.02 -1.52 -1.85 112.91 115.89 1u48 h THR 586 Ca -0.16 -2.34 -0.14 0.00 0.77 0.00 0.00 66.41 64.53 1u48 h THR 586 Cb 1.84 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 70.91 1u48 h THR 586 CO 0.22 0.61 -1.70 -1.22 0.37 0.00 0.00 175.52 173.81 1u48 n TYR 587 N -4.11 0.54 -0.01 3.16 4.02 -0.83 -3.45 117.16 116.48 1u48 n TYR 587 Ca -0.25 0.17 -0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1u48 n TYR 587 Cb 0.80 -0.90 -0.00 0.00 -0.02 0.00 0.00 39.34 39.22 1u48 n TYR 587 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1u48 n ILE 588 N -2.67 0.10 -0.11 -0.72 2.08 -0.28 -3.93 119.36 113.84 1u48 n ILE 588 Ca -0.11 0.48 -0.09 0.00 0.56 0.00 0.00 62.75 63.58 1u48 n ILE 588 Cb 0.79 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 38.10 1u48 n ILE 588 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u48 h GLU 589 N -0.07 0.47 -0.47 0.38 5.08 -1.24 -1.88 114.58 116.85 1u48 h GLU 589 Ca 0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1u48 h GLU 589 Cb 0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1u48 h GLU 589 CO 0.00 0.39 0.28 0.78 -1.00 0.00 0.00 179.01 179.45 1u48 h GLY 590 N 0.43 0.66 0.80 -3.84 0.00 -1.36 -1.96 103.07 97.80 1u48 h GLY 590 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1u48 h GLY 590 CO -0.02 0.17 0.01 -2.00 0.00 0.00 0.00 176.54 174.70 1u48 h LEU 591 N 0.55 0.23 -1.96 3.11 5.85 -1.57 -2.84 115.31 118.68 1u48 h LEU 591 Ca 0.19 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.74 1u48 h LEU 591 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1u48 h LEU 591 CO -0.09 0.45 0.30 -0.07 -0.34 0.00 0.00 178.44 178.69 1u48 h LEU 592 N -0.00 0.04 -1.58 2.25 3.38 -1.14 -0.85 115.31 117.39 1u48 h LEU 592 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1u48 h LEU 592 Cb 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1u48 h LEU 592 CO 0.00 0.02 -0.21 0.11 0.09 0.00 0.00 178.44 178.45 1u48 h LYS 593 N 0.04 0.00 -0.14 1.13 1.57 -1.10 -3.19 116.57 114.89 1u48 h LYS 593 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1u48 h LYS 593 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1u48 h LYS 593 CO -0.01 0.21 0.00 1.33 -0.57 0.00 0.00 179.45 180.41 1u48 n VAL 594 N -3.76 0.31 -2.49 0.50 0.24 -0.35 -4.97 118.33 107.81 1u48 n VAL 594 Ca -0.02 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 1u48 n VAL 594 Cb 0.32 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1u48 n VAL 594 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u48 s VAL 595 N -1.04 3.89 -0.09 3.34 1.01 -1.05 -4.63 120.40 121.83 1u48 s VAL 595 Ca 0.19 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1u48 s VAL 595 Cb 0.12 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1u48 s VAL 595 CO 0.17 0.24 1.50 -0.13 0.00 0.00 0.00 175.10 176.88 1u48 s ARG 596 N -0.08 4.20 0.41 2.72 1.81 0.01 -4.89 118.95 123.14 1u48 s ARG 596 Ca 0.51 1.99 0.15 0.00 -1.72 0.00 0.00 55.73 56.67 1u48 s ARG 596 Cb -0.29 -3.88 1.03 0.00 -0.45 0.00 0.00 34.95 31.35 1u48 s ARG 596 CO 0.34 -0.78 1.88 -1.35 -0.68 0.00 0.00 175.30 174.71 1u48 h PRO 597 N 8.97 0.44 0.04 3.54 0.11 -1.93 0.55 132.00 143.72 1u48 h PRO 597 Ca -0.35 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1u48 h PRO 597 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1u48 h PRO 597 CO 0.96 0.29 -0.02 0.38 -0.21 0.00 0.00 178.00 179.40 1u48 h ASP 598 N 0.46 -0.04 0.68 -2.05 2.03 -1.98 -3.38 116.42 112.14 1u48 h ASP 598 Ca 0.43 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1u48 h ASP 598 Cb 0.97 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1u48 h ASP 598 CO -0.16 0.67 -0.62 0.35 -1.03 0.00 0.00 179.24 178.45 1u48 n THR 599 N -4.74 0.20 -2.34 1.15 -2.24 -1.19 -4.95 114.28 100.16 1u48 n THR 599 Ca -0.06 -0.17 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 1u48 n THR 599 Cb 0.25 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1u48 n THR 599 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u48 n LYS 600 N -1.86 -1.48 -4.27 -0.78 4.76 0.19 -4.87 118.16 109.86 1u48 n LYS 600 Ca 0.04 0.90 -0.27 0.00 -2.87 0.00 0.00 58.31 56.11 1u48 n LYS 600 Cb 0.40 -5.43 -0.09 0.00 -1.84 0.00 0.00 35.03 28.07 1u48 n LYS 600 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1u48 s LYS 601 N -4.91 2.13 -0.10 1.97 1.02 -1.25 -0.71 119.74 117.88 1u48 s LYS 601 Ca 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.77 1u48 s LYS 601 Cb 0.00 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1u48 s LYS 601 CO 0.00 0.45 -0.04 0.14 -0.92 0.00 0.00 175.35 174.98 1u48 s VAL 602 N -1.63 3.91 -0.48 3.17 -7.23 -0.45 -0.81 120.40 116.88 1u48 s VAL 602 Ca 0.25 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 1u48 s VAL 602 Cb -0.09 -2.65 0.12 0.00 0.56 0.00 0.00 36.38 34.32 1u48 s VAL 602 CO 0.16 0.56 0.22 -1.00 -0.31 0.00 0.00 175.10 174.73 1u48 s HIS 603 N -0.41 3.33 1.06 2.82 0.09 -1.26 -1.85 115.29 119.07 1u48 s HIS 603 Ca 0.07 -3.11 -0.13 0.00 -0.00 0.00 0.00 55.06 51.89 1u48 s HIS 603 Cb -0.12 -2.87 0.22 0.00 -0.00 0.00 0.00 32.58 29.81 1u48 s HIS 603 CO 0.02 -0.80 1.08 -0.08 -0.00 0.00 0.00 174.74 174.96 1u48 s THR 604 N 0.01 1.97 -0.13 1.30 -1.32 -1.26 -4.64 115.64 111.58 1u48 s THR 604 Ca 0.15 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1u48 s THR 604 Cb -0.24 -2.40 0.03 0.00 -1.51 0.00 0.00 72.50 68.38 1u48 s THR 604 CO -0.02 0.00 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.69 1u48 s ILE 605 N -2.86 1.07 -0.37 5.08 1.01 -0.80 -4.71 121.20 119.62 1u48 s ILE 605 Ca 0.66 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 1u48 s ILE 605 Cb -0.19 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1u48 s ILE 605 CO 0.59 0.31 0.79 -0.36 0.00 0.00 0.00 174.94 176.26 1u48 s PHE 606 N 1.68 3.10 -0.47 3.97 0.40 -1.26 -1.98 117.98 123.42 1u48 s PHE 606 Ca 0.04 0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 56.61 1u48 s PHE 606 Cb -0.13 -3.43 0.03 0.00 0.51 0.00 0.00 43.02 40.00 1u48 s PHE 606 CO -0.08 -0.76 1.18 1.21 0.70 0.00 0.00 175.22 177.47 1u48 s ASN 607 N 1.86 6.58 0.00 1.36 3.84 0.08 -4.85 114.94 123.82 1u48 s ASN 607 Ca 0.31 0.51 0.27 0.00 0.21 0.00 0.00 52.86 54.16 1u48 s ASN 607 Cb -0.13 -2.55 0.83 0.00 -0.55 0.00 0.00 41.25 38.85 1u48 s ASN 607 CO 0.17 -1.29 1.61 1.67 -2.79 0.00 0.00 177.10 176.48 1u48 n GLN 608 N 7.90 1.00 -2.57 0.43 7.27 -1.26 -2.48 117.38 127.67 1u48 n GLN 608 Ca 0.13 -0.58 -0.17 0.00 0.07 0.00 0.00 57.00 56.44 1u48 n GLN 608 Cb 0.49 -1.49 0.02 0.00 2.41 0.00 0.00 30.24 31.67 1u48 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u48 n ALA 609 N -0.49 4.18 0.01 1.69 0.00 -1.26 -4.88 120.51 119.75 1u48 n ALA 609 Ca 0.14 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1u48 n ALA 609 Cb 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1u48 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u48 n LEU 610 N -0.28 0.07 -4.75 0.00 7.94 -1.26 -4.85 117.00 113.87 1u48 n LEU 610 Ca 0.23 0.02 -0.35 0.00 -1.11 0.00 0.00 56.01 54.80 1u48 n LEU 610 Cb 0.75 -0.01 0.05 0.00 0.53 0.00 0.00 43.42 44.74 1u48 n LEU 610 CO 0.29 -0.20 0.82 0.42 -1.11 0.00 0.00 177.39 177.61 1u48 s THR 611 N -2.00 2.64 -1.42 1.96 -4.23 -1.26 -4.93 115.64 106.40 1u48 s THR 611 Ca 0.00 0.37 0.28 0.00 -1.18 0.00 0.00 61.69 61.16 1u48 s THR 611 Cb 0.00 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 71.12 1u48 s THR 611 CO 0.00 -0.12 1.79 0.00 -0.54 0.00 0.00 174.62 175.76 1u48 n GLN 612 N -1.93 0.45 -0.00 3.99 1.13 -1.26 -3.83 117.38 115.93 1u48 n GLN 612 Ca 0.13 -0.16 0.06 0.00 -1.94 0.00 0.00 57.00 55.10 1u48 n GLN 612 Cb 0.50 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.28 1u48 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1u48 n THR 613 N -1.14 0.00 0.00 5.09 -2.24 -1.26 -4.86 114.28 109.87 1u48 n THR 613 Ca 0.12 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1u48 n THR 613 Cb 0.30 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1u48 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u48 n GLY 614 N 1.38 0.53 3.80 3.38 0.00 -1.25 -3.75 105.19 109.28 1u48 n GLY 614 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1u48 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u48 s ARG 615 N -0.76 2.06 0.57 1.61 0.52 -1.26 -4.83 118.95 116.86 1u48 s ARG 615 Ca 0.00 0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 1u48 s ARG 615 Cb 0.00 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.59 1u48 s ARG 615 CO 0.00 -1.64 0.80 -0.51 0.02 0.00 0.00 175.30 173.97 1u48 s LEU 616 N -5.79 3.22 0.09 2.53 1.43 -1.26 -4.28 118.68 114.62 1u48 s LEU 616 Ca 0.61 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1u48 s LEU 616 Cb -0.14 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1u48 s LEU 616 CO 0.54 -1.19 -0.09 -0.94 0.23 0.00 0.00 176.35 174.89 1u48 s SER 617 N -4.44 1.32 -0.04 2.29 1.04 -1.04 -4.93 113.70 107.90 1u48 s SER 617 Ca 0.58 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1u48 s SER 617 Cb -0.10 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1u48 s SER 617 CO 0.39 -0.28 -0.14 -0.55 0.98 0.00 0.00 173.24 173.64 1u48 s SER 618 N -2.37 1.83 0.08 7.02 0.15 -1.26 -0.74 113.70 118.40 1u48 s SER 618 Ca 0.04 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1u48 s SER 618 Cb -0.03 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1u48 s SER 618 CO -0.01 0.12 -0.06 0.42 1.20 0.00 0.00 173.24 174.91 1u48 s THR 619 N 0.10 0.56 -1.08 6.45 -4.23 -0.84 -4.04 115.64 112.57 1u48 s THR 619 Ca -0.04 -1.69 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 1u48 s THR 619 Cb -0.11 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.39 1u48 s THR 619 CO 0.02 -0.78 0.66 -0.62 -0.54 0.00 0.00 174.62 173.36 1u48 n GLU 620 N 0.37 -0.74 -3.05 3.99 1.02 -1.26 -1.90 120.64 119.07 1u48 n GLU 620 Ca -0.15 0.34 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 1u48 n GLU 620 Cb 0.59 -2.57 0.03 0.00 -0.02 0.00 0.00 31.44 29.47 1u48 n GLU 620 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1u48 s PRO 621 N -6.48 2.57 -0.40 3.49 0.04 -1.26 -4.17 135.00 128.80 1u48 s PRO 621 Ca 0.32 -1.45 -0.26 0.00 0.04 0.00 0.00 61.00 59.66 1u48 s PRO 621 Cb -0.17 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1u48 s PRO 621 CO 0.94 -0.55 0.95 1.21 0.04 0.00 0.00 177.00 179.59 1u48 s ASN 622 N -4.49 6.64 -0.14 6.66 3.84 -1.26 -4.64 114.94 121.56 1u48 s ASN 622 Ca 0.58 0.48 0.18 0.00 0.21 0.00 0.00 52.86 54.31 1u48 s ASN 622 Cb -0.08 -2.47 0.74 0.00 -0.55 0.00 0.00 41.25 38.89 1u48 s ASN 622 CO 0.35 -0.93 1.65 0.18 -2.79 0.00 0.00 177.10 175.57 1u48 n LEU 623 N 6.95 4.96 -0.85 3.21 4.32 -1.26 -4.13 117.00 130.19 1u48 n LEU 623 Ca 0.07 -2.55 0.07 0.00 -0.02 0.00 0.00 56.01 53.58 1u48 n LEU 623 Cb 0.48 -0.60 0.21 0.00 -1.62 0.00 0.00 43.42 41.89 1u48 n LEU 623 CO 0.61 0.78 0.67 0.00 -1.22 0.00 0.00 177.39 178.23 1u48 n GLN 624 N 1.00 2.89 -2.38 3.23 6.02 -1.26 -4.49 117.38 122.38 1u48 n GLN 624 Ca 0.26 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 1u48 n GLN 624 Cb 0.95 -1.39 0.05 0.00 1.02 0.00 0.00 30.24 30.87 1u48 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u48 n ASN 625 N 0.74 0.95 -4.71 1.08 6.94 -1.26 -5.03 115.26 113.97 1u48 n ASN 625 Ca 0.16 -2.04 -0.42 0.00 -0.02 0.00 0.00 54.58 52.26 1u48 n ASN 625 Cb 0.51 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 1u48 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u48 s ILE 626 N -2.19 4.62 0.38 1.53 -1.09 -1.26 -4.98 121.20 118.21 1u48 s ILE 626 Ca 0.25 1.92 -0.24 0.00 -2.23 0.00 0.00 60.65 60.36 1u48 s ILE 626 Cb 0.34 -4.23 -0.13 0.00 -1.58 0.00 0.00 42.46 36.85 1u48 s ILE 626 CO -0.08 0.17 0.63 -2.65 -1.23 0.00 0.00 174.94 171.78 1u48 n PRO 627 N 3.73 0.66 0.00 2.79 -0.02 -1.26 -4.90 135.00 136.00 1u48 n PRO 627 Ca 0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1u48 n PRO 627 Cb 0.50 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1u48 n PRO 627 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1u48 n ILE 628 N -0.60 0.00 -0.08 4.25 3.06 -1.26 -4.21 119.36 120.52 1u48 n ILE 628 Ca 0.12 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.28 1u48 n ILE 628 Cb 0.37 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.53 1u48 n ILE 628 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1u48 h ARG 629 N 0.00 0.38 -5.49 9.51 3.08 -1.96 -3.42 114.38 116.47 1u48 h ARG 629 Ca 0.00 -0.02 -0.64 0.00 0.07 0.00 0.00 59.98 59.39 1u48 h ARG 629 Cb 0.00 -0.08 -0.13 0.00 0.08 0.00 0.00 29.97 29.84 1u48 h ARG 629 CO 0.00 0.25 -0.54 -0.51 -1.07 0.00 0.00 179.97 178.10 1u48 s LEU 630 N -10.18 4.01 0.20 3.04 1.43 -1.26 -5.00 118.68 110.92 1u48 s LEU 630 Ca -0.13 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 1u48 s LEU 630 Cb 0.10 -1.99 0.24 0.00 0.03 0.00 0.00 46.19 44.56 1u48 s LEU 630 CO 0.71 0.28 1.66 -0.08 0.23 0.00 0.00 176.35 179.14 1u48 h GLU 631 N 5.95 0.08 -0.64 1.70 4.57 -1.98 0.25 114.58 124.51 1u48 h GLU 631 Ca -0.45 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.81 1u48 h GLU 631 Cb 1.19 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 1u48 h GLU 631 CO 0.65 0.05 0.28 0.93 -1.18 0.00 0.00 179.01 179.74 1u48 h GLU 632 N 0.08 0.47 -0.01 1.92 3.07 -1.96 -0.93 114.58 117.22 1u48 h GLU 632 Ca 0.29 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.93 1u48 h GLU 632 Cb 0.46 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1u48 h GLU 632 CO -0.52 0.31 -0.84 0.78 -1.40 0.00 0.00 179.01 177.34 1u48 h GLY 633 N 0.49 0.27 1.15 -3.84 0.00 -1.76 -3.19 103.07 96.20 1u48 h GLY 633 Ca 0.32 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.27 1u48 h GLY 633 CO -0.28 0.40 0.37 -0.09 0.00 0.00 0.00 176.54 176.94 1u48 h ARG 634 N 0.14 0.40 0.00 4.80 2.43 0.80 -0.97 114.38 121.98 1u48 h ARG 634 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1u48 h ARG 634 Cb 1.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1u48 h ARG 634 CO 0.13 0.26 0.03 0.87 -1.51 0.00 0.00 179.97 179.76 1u48 h LYS 635 N 0.41 0.00 -0.38 0.20 1.57 -1.32 -1.20 116.57 115.85 1u48 h LYS 635 Ca 0.25 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1u48 h LYS 635 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1u48 h LYS 635 CO -0.07 0.00 0.26 0.82 -0.57 0.00 0.00 179.45 179.89 1u48 h ILE 636 N 0.00 1.01 0.00 1.86 1.08 -1.37 -1.81 117.51 118.28 1u48 h ILE 636 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1u48 h ILE 636 Cb 0.06 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1u48 h ILE 636 CO 0.00 0.07 0.00 0.03 -0.69 0.00 0.00 178.15 177.56 1u48 h ARG 637 N 0.37 0.00 0.00 2.37 3.08 -1.42 -2.11 114.38 116.67 1u48 h ARG 637 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1u48 h ARG 637 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1u48 h ARG 637 CO -0.04 0.00 0.00 1.96 -1.07 0.00 0.00 179.97 180.82 1u48 h GLN 638 N 0.00 0.00 -0.00 0.04 4.20 -1.51 -2.18 115.11 115.66 1u48 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u48 h GLN 638 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1u48 h GLN 638 CO 0.00 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 178.07 1u48 n ALA 639 N -2.01 2.56 -2.64 3.87 0.00 -0.79 -4.63 120.51 116.88 1u48 n ALA 639 Ca 0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1u48 n ALA 639 Cb 0.23 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 1u48 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u48 s PHE 640 N -2.96 3.24 0.37 0.00 0.08 -0.85 0.12 117.98 117.98 1u48 s PHE 640 Ca 0.15 -0.73 0.08 0.00 0.12 0.00 0.00 56.93 56.55 1u48 s PHE 640 Cb 0.19 -2.86 -0.07 0.00 -0.57 0.00 0.00 43.02 39.72 1u48 s PHE 640 CO 0.55 -0.69 -0.02 0.14 -0.10 0.00 0.00 175.22 175.11 1u48 s VAL 641 N 1.68 2.24 0.64 -0.44 -7.23 -0.71 -1.33 120.40 115.25 1u48 s VAL 641 Ca 0.05 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1u48 s VAL 641 Cb -0.21 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 1u48 s VAL 641 CO 0.09 -0.12 1.22 -2.84 -0.31 0.00 0.00 175.10 173.14 1u48 s PRO 642 N -3.69 2.68 0.00 4.82 0.02 -1.26 -3.64 135.00 133.93 1u48 s PRO 642 Ca 0.35 1.84 0.29 0.00 0.02 0.00 0.00 61.00 63.49 1u48 s PRO 642 Cb 0.05 -1.89 1.34 0.00 0.02 0.00 0.00 34.50 34.01 1u48 s PRO 642 CO 0.18 -1.44 1.97 -1.13 -0.33 0.00 0.00 177.00 176.25 1u48 n SER 643 N -1.97 0.00 -4.11 2.53 3.41 -1.26 -4.79 113.62 107.44 1u48 n SER 643 Ca 0.14 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1u48 n SER 643 Cb 0.50 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 1u48 n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u48 s GLU 644 N -2.85 0.66 0.33 4.33 2.02 -1.26 -5.04 118.70 116.89 1u48 s GLU 644 Ca 0.19 -1.17 -0.29 0.00 0.02 0.00 0.00 54.97 53.73 1u48 s GLU 644 Cb 0.19 0.00 -0.10 0.00 0.10 0.00 0.00 34.13 34.32 1u48 s GLU 644 CO 0.50 -0.06 1.33 -1.12 0.02 0.00 0.00 175.26 175.94 1u48 s SER 645 N -2.71 6.72 -1.19 -0.19 0.01 -1.26 -2.82 113.70 112.26 1u48 s SER 645 Ca 0.05 2.72 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1u48 s SER 645 Cb 0.04 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1u48 s SER 645 CO -0.06 -0.58 0.00 0.47 0.41 0.00 0.00 173.24 173.48 1u48 n ASP 646 N 0.85 -4.21 -4.69 2.44 8.00 -1.26 -4.99 116.55 112.70 1u48 n ASP 646 Ca 0.00 0.13 -0.23 0.00 0.71 0.00 0.00 54.79 55.41 1u48 n ASP 646 Cb 0.41 -3.14 -0.07 0.00 -0.02 0.00 0.00 41.12 38.31 1u48 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u48 s TRP 647 N -2.55 2.78 0.10 1.24 0.52 -1.13 -1.46 118.94 118.44 1u48 s TRP 647 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 55.93 1u48 s TRP 647 Cb 0.00 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1u48 s TRP 647 CO 0.00 0.58 -0.07 -0.51 0.02 0.00 0.00 176.95 176.97 1u48 s LEU 648 N -3.72 2.51 -0.09 2.99 1.43 0.77 -4.76 118.68 117.80 1u48 s LEU 648 Ca 0.32 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 1u48 s LEU 648 Cb -0.06 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 1u48 s LEU 648 CO 0.21 -0.44 0.44 -0.63 0.23 0.00 0.00 176.35 176.17 1u48 s ILE 649 N -3.51 5.15 -0.15 -0.59 -1.09 0.12 -1.59 121.20 119.55 1u48 s ILE 649 Ca 0.12 0.89 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 1u48 s ILE 649 Cb 0.04 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1u48 s ILE 649 CO -0.04 0.40 -0.19 0.12 -1.23 0.00 0.00 174.94 174.01 1u48 s PHE 650 N 0.14 2.46 -0.10 3.97 5.36 0.67 -1.01 117.98 129.48 1u48 s PHE 650 Ca 0.24 -1.31 0.03 0.00 -0.96 0.00 0.00 56.93 54.93 1u48 s PHE 650 Cb -0.15 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1u48 s PHE 650 CO 0.11 -0.65 -0.20 0.00 -1.46 0.00 0.00 175.22 173.02 1u48 s ALA 651 N 1.10 1.90 -0.08 11.12 0.00 0.06 0.46 121.76 136.31 1u48 s ALA 651 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1u48 s ALA 651 Cb -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1u48 s ALA 651 CO -0.06 0.15 -0.18 0.00 0.00 0.00 0.00 175.76 175.67 1u48 s ALA 652 N 0.58 1.70 -0.01 0.00 0.00 -0.15 -1.36 121.76 122.51 1u48 s ALA 652 Ca -0.15 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1u48 s ALA 652 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1u48 s ALA 652 CO 0.05 0.20 -0.12 0.16 0.00 0.00 0.00 175.76 176.05 1u48 s ASP 653 N 0.49 1.47 0.31 0.00 1.47 -0.19 -0.23 116.67 120.00 1u48 s ASP 653 Ca -0.16 -0.23 -0.29 0.00 1.18 0.00 0.00 52.55 53.05 1u48 s ASP 653 Cb -0.17 -0.20 -0.10 0.00 -0.34 0.00 0.00 42.92 42.11 1u48 s ASP 653 CO 0.06 0.14 1.27 -0.31 0.68 0.00 0.00 175.17 177.01 1u48 s TYR 654 N -0.23 3.17 -0.34 2.11 1.51 0.59 -1.13 117.35 123.03 1u48 s TYR 654 Ca 0.04 1.45 -0.16 0.00 -1.01 0.00 0.00 57.07 57.38 1u48 s TYR 654 Cb -0.06 -3.60 -0.01 0.00 -0.11 0.00 0.00 41.96 38.19 1u48 s TYR 654 CO -0.00 -1.61 0.42 0.45 -1.11 0.00 0.00 175.55 173.70 1u48 s SER 655 N -0.49 6.24 -1.40 2.29 0.15 0.11 -4.47 113.70 116.13 1u48 s SER 655 Ca 0.49 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.99 1u48 s SER 655 Cb -0.38 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1u48 s SER 655 CO 0.49 -0.38 0.68 0.00 1.20 0.00 0.00 173.24 175.23 1u48 n GLN 656 N 5.52 -4.52 -0.10 5.44 1.13 -1.26 -4.56 117.38 119.03 1u48 n GLN 656 Ca -0.07 0.55 -0.02 0.00 -1.94 0.00 0.00 57.00 55.52 1u48 n GLN 656 Cb 0.49 -5.06 0.23 0.00 0.11 0.00 0.00 30.24 26.01 1u48 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1u48 h ILE 657 N -1.88 1.21 -0.34 5.09 2.10 -1.92 -1.89 117.51 119.87 1u48 h ILE 657 Ca -0.61 -0.76 -0.03 0.00 1.08 0.00 0.00 64.86 64.53 1u48 h ILE 657 Cb 1.37 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1u48 h ILE 657 CO 0.61 0.28 0.08 -0.33 -1.08 0.00 0.00 178.15 177.71 1u48 h GLU 658 N 0.73 0.55 -0.01 2.19 5.08 -1.90 0.14 114.58 121.36 1u48 h GLU 658 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1u48 h GLU 658 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1u48 h GLU 658 CO -0.00 0.61 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.03 1u48 h LEU 659 N 0.40 0.04 -0.45 1.33 3.38 -1.93 -0.10 115.31 117.98 1u48 h LEU 659 Ca 0.11 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1u48 h LEU 659 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1u48 h LEU 659 CO 0.00 0.55 -0.40 0.03 0.09 0.00 0.00 178.44 178.71 1u48 h ARG 660 N 0.03 0.86 -0.50 1.13 3.08 -1.08 -0.67 114.38 117.24 1u48 h ARG 660 Ca -0.00 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 1u48 h ARG 660 Cb 0.92 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1u48 h ARG 660 CO 0.07 1.10 0.06 0.28 -1.07 0.00 0.00 179.97 180.41 1u48 h VAL 661 N 0.70 1.25 -0.82 2.04 2.07 -0.40 -1.68 116.25 119.41 1u48 h VAL 661 Ca 0.06 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1u48 h VAL 661 Cb 0.97 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1u48 h VAL 661 CO 0.09 0.34 0.53 0.25 0.02 0.00 0.00 177.57 178.81 1u48 h LEU 662 N 0.71 0.95 -0.58 2.57 5.85 -0.79 0.22 115.31 124.25 1u48 h LEU 662 Ca 0.15 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1u48 h LEU 662 Cb 0.43 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1u48 h LEU 662 CO 0.01 0.70 0.37 0.00 -0.34 0.00 0.00 178.44 179.18 1u48 h ALA 663 N 1.29 0.74 0.32 1.25 0.00 -0.77 -0.61 119.26 121.48 1u48 h ALA 663 Ca 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1u48 h ALA 663 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1u48 h ALA 663 CO -0.06 0.12 -0.15 1.25 0.00 0.00 0.00 179.25 180.41 1u48 h HIS 664 N 0.74 -0.40 -0.72 0.00 -0.00 -0.60 -0.59 115.15 113.58 1u48 h HIS 664 Ca 0.22 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1u48 h HIS 664 Cb -0.03 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1u48 h HIS 664 CO -0.05 -0.15 0.21 0.82 -0.00 0.00 0.00 177.93 178.76 1u48 h ILE 665 N -0.60 1.26 0.00 6.26 2.04 -0.87 -3.05 117.51 122.55 1u48 h ILE 665 Ca -0.04 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1u48 h ILE 665 Cb 0.43 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1u48 h ILE 665 CO 0.07 0.36 -0.48 0.00 0.00 0.00 0.00 178.15 178.11 1u48 h ALA 666 N 1.10 0.75 -6.08 1.87 0.00 -1.18 -3.48 119.26 112.25 1u48 h ALA 666 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.72 1u48 h ALA 666 Cb 0.33 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1u48 h ALA 666 CO -0.00 0.00 -0.81 0.39 0.00 0.00 0.00 179.25 178.82 1u48 n GLU 667 N -2.77 -5.21 -2.90 0.00 1.02 -0.23 -4.68 120.64 105.88 1u48 n GLU 667 Ca 0.02 0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 1u48 n GLU 667 Cb 0.52 -5.29 -0.04 0.00 -0.02 0.00 0.00 31.44 26.61 1u48 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u48 s ASP 668 N -4.20 6.78 0.21 1.62 -1.08 -1.21 -4.87 116.67 113.92 1u48 s ASP 668 Ca 0.10 0.93 -0.10 0.00 -0.52 0.00 0.00 52.55 52.96 1u48 s ASP 668 Cb -0.05 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.21 1u48 s ASP 668 CO 0.81 -0.55 1.80 0.44 0.52 0.00 0.00 175.17 178.18 1u48 h ASP 669 N 7.82 0.50 -0.10 -0.34 3.32 -1.92 0.13 116.42 125.83 1u48 h ASP 669 Ca -0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1u48 h ASP 669 Cb 1.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1u48 h ASP 669 CO 0.88 0.32 0.01 -1.13 -1.72 0.00 0.00 179.24 177.61 1u48 h ASN 670 N 0.64 0.17 -0.60 6.45 -1.24 -1.92 -1.11 115.58 117.97 1u48 h ASN 670 Ca 0.29 -0.28 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 1u48 h ASN 670 Cb 0.20 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1u48 h ASN 670 CO -0.19 0.40 0.06 0.25 -1.29 0.00 0.00 177.43 176.66 1u48 h LEU 671 N -0.07 0.99 -0.40 0.34 5.85 -1.84 -1.35 115.31 118.83 1u48 h LEU 671 Ca 0.03 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1u48 h LEU 671 Cb 0.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1u48 h LEU 671 CO 0.00 1.01 0.10 0.24 -0.34 0.00 0.00 178.44 179.46 1u48 h MET 672 N 0.96 0.64 -0.78 1.25 2.86 -0.68 -2.57 114.93 116.61 1u48 h MET 672 Ca 0.19 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1u48 h MET 672 Cb 0.47 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1u48 h MET 672 CO 0.02 0.66 0.42 1.49 1.06 0.00 0.00 176.91 180.56 1u48 h GLU 673 N 0.50 1.08 -0.26 1.72 4.57 -1.00 -0.70 114.58 120.50 1u48 h GLU 673 Ca 0.13 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1u48 h GLU 673 Cb 0.30 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1u48 h GLU 673 CO 0.00 0.80 0.08 0.00 -1.18 0.00 0.00 179.01 178.70 1u48 h ALA 674 N 1.37 0.28 0.00 2.92 0.00 -0.92 -1.04 119.26 121.87 1u48 h ALA 674 Ca 0.27 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1u48 h ALA 674 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u48 h ALA 674 CO -0.04 -0.34 -0.41 0.74 0.00 0.00 0.00 179.25 179.20 1u48 h PHE 675 N 0.18 0.00 0.00 0.00 -1.00 -1.13 -1.45 116.94 113.54 1u48 h PHE 675 Ca 0.11 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 1u48 h PHE 675 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1u48 h PHE 675 CO -0.14 0.41 -0.38 0.00 -1.61 0.00 0.00 178.31 176.59 1u48 h ARG 676 N 0.00 0.00 -0.02 1.51 3.08 -0.53 -0.91 114.38 117.51 1u48 h ARG 676 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u48 h ARG 676 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1u48 h ARG 676 CO 0.05 0.38 -0.03 0.54 -1.07 0.00 0.00 179.97 179.84 1u48 n ARG 677 N -3.87 1.69 -3.98 0.04 1.74 -0.45 -4.94 116.66 106.88 1u48 n ARG 677 Ca -0.01 -1.09 -0.30 0.00 -0.77 0.00 0.00 57.85 55.68 1u48 n ARG 677 Cb 0.44 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1u48 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u48 n ASP 678 N 0.30 -2.93 -4.85 0.55 2.03 -0.35 -4.95 116.55 106.35 1u48 n ASP 678 Ca 0.17 -0.90 -0.31 0.00 0.52 0.00 0.00 54.79 54.28 1u48 n ASP 678 Cb 0.40 -3.42 0.05 0.00 -0.72 0.00 0.00 41.12 37.42 1u48 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1u48 s LEU 679 N -7.13 2.99 -0.52 -2.67 1.43 -0.62 -4.95 118.68 107.22 1u48 s LEU 679 Ca 0.45 1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 54.66 1u48 s LEU 679 Cb -0.24 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.76 1u48 s LEU 679 CO 0.87 -1.37 1.55 -0.62 0.23 0.00 0.00 176.35 177.01 1u48 s ASP 680 N -4.06 5.97 0.42 2.29 3.68 -1.26 -4.86 116.67 118.84 1u48 s ASP 680 Ca 0.58 0.52 0.12 0.00 2.13 0.00 0.00 52.55 55.90 1u48 s ASP 680 Cb -0.13 -2.54 0.97 0.00 -1.45 0.00 0.00 42.92 39.77 1u48 s ASP 680 CO 0.54 -1.79 1.99 -0.29 0.13 0.00 0.00 175.17 175.74 1u48 h ILE 681 N 6.54 0.94 -0.11 4.11 6.09 -1.93 -0.85 117.51 132.30 1u48 h ILE 681 Ca -0.28 -0.16 -0.21 0.00 -1.37 0.00 0.00 64.86 62.83 1u48 h ILE 681 Cb 1.12 0.42 0.01 0.00 0.47 0.00 0.00 36.82 38.84 1u48 h ILE 681 CO 1.15 0.09 -0.78 0.45 -3.07 0.00 0.00 178.15 175.98 1u48 h HIS 682 N 0.48 0.88 -0.33 2.19 3.86 -1.93 -0.51 115.15 119.78 1u48 h HIS 682 Ca 0.26 -0.40 -0.07 0.00 -1.16 0.00 0.00 60.37 59.01 1u48 h HIS 682 Cb 0.42 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1u48 h HIS 682 CO -0.00 1.20 -0.05 1.15 0.86 0.00 0.00 177.93 181.09 1u48 h THR 683 N 0.43 1.27 -0.78 2.45 2.02 -1.79 -1.42 112.91 115.10 1u48 h THR 683 Ca -0.05 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1u48 h THR 683 Cb 1.40 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 1u48 h THR 683 CO 0.15 0.35 0.51 0.50 0.37 0.00 0.00 175.52 177.40 1u48 h LYS 684 N 0.41 1.03 -0.69 6.66 1.63 -1.12 -0.23 116.57 124.26 1u48 h LYS 684 Ca 0.09 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1u48 h LYS 684 Cb 0.53 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 1u48 h LYS 684 CO 0.03 0.68 0.18 1.15 -3.45 0.00 0.00 179.45 178.04 1u48 h THR 685 N 1.05 1.26 -0.49 1.00 2.02 -0.93 -1.85 112.91 114.97 1u48 h THR 685 Ca 0.28 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1u48 h THR 685 Cb -0.11 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1u48 h THR 685 CO -0.06 0.36 0.20 0.00 0.37 0.00 0.00 175.52 176.39 1u48 h ALA 686 N 1.16 0.64 -0.67 6.16 0.00 -0.59 -1.14 119.26 124.82 1u48 h ALA 686 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1u48 h ALA 686 Cb 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1u48 h ALA 686 CO -0.00 0.24 0.40 0.52 0.00 0.00 0.00 179.25 180.41 1u48 h MET 687 N 0.65 0.73 0.08 0.00 2.07 -0.66 -1.39 114.93 116.41 1u48 h MET 687 Ca 0.16 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1u48 h MET 687 Cb 0.19 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.76 1u48 h MET 687 CO -0.01 0.49 -0.04 -0.44 1.07 0.00 0.00 176.91 177.97 1u48 h ASP 688 N 0.76 -0.09 1.07 1.22 3.32 -1.08 -0.37 116.42 121.25 1u48 h ASP 688 Ca 0.28 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1u48 h ASP 688 Cb 0.09 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1u48 h ASP 688 CO -0.14 0.45 -0.11 0.16 -1.72 0.00 0.00 179.24 177.88 1u48 h ILE 689 N -0.67 0.26 -0.02 0.35 3.07 -1.22 -2.95 117.51 116.33 1u48 h ILE 689 Ca -0.01 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.55 1u48 h ILE 689 Cb 0.55 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1u48 h ILE 689 CO 0.02 0.11 -0.04 0.49 -1.05 0.00 0.00 178.15 177.68 1u48 n PHE 690 N -3.23 0.00 -3.65 0.16 3.72 -0.53 -4.92 117.46 109.01 1u48 n PHE 690 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.11 1u48 n PHE 690 Cb 0.39 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 1u48 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1u48 n GLN 691 N 0.85 -1.50 -4.18 -1.08 6.02 -0.22 -5.01 117.38 112.25 1u48 n GLN 691 Ca 0.10 0.50 -0.11 0.00 -0.01 0.00 0.00 57.00 57.48 1u48 n GLN 691 Cb 0.42 -4.33 -0.10 0.00 1.02 0.00 0.00 30.24 27.25 1u48 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1u48 s VAL 692 N -3.48 0.31 0.82 5.09 -7.23 -0.74 -5.05 120.40 110.12 1u48 s VAL 692 Ca 0.44 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 1u48 s VAL 692 Cb -0.15 -2.03 0.09 0.00 0.56 0.00 0.00 36.38 34.85 1u48 s VAL 692 CO 0.85 -0.51 1.17 -0.94 -0.31 0.00 0.00 175.10 175.35 1u48 s SER 693 N -3.08 4.38 0.34 4.85 1.04 -1.26 -4.58 113.70 115.39 1u48 s SER 693 Ca 0.23 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1u48 s SER 693 Cb 0.07 -1.37 0.62 0.00 0.10 0.00 0.00 66.02 65.44 1u48 s SER 693 CO 0.02 -1.99 1.96 -0.08 0.98 0.00 0.00 173.24 174.13 1u48 h GLU 694 N -1.11 0.88 0.00 4.02 4.81 -1.97 -1.56 114.58 119.65 1u48 h GLU 694 Ca -0.47 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 1u48 h GLU 694 Cb 1.33 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1u48 h GLU 694 CO 0.65 0.58 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.80 1u48 h ASP 695 N 0.90 0.00 0.04 1.04 3.45 -2.02 -2.80 116.42 117.04 1u48 h ASP 695 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1u48 h ASP 695 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1u48 h ASP 695 CO -0.09 0.27 -0.02 -0.62 -1.57 0.00 0.00 179.24 177.21 1u48 n GLU 696 N -3.93 1.31 -2.58 3.56 1.02 -0.60 -4.81 120.64 114.61 1u48 n GLU 696 Ca -0.02 -0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 56.15 1u48 n GLU 696 Cb 0.35 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 1u48 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u48 s VAL 697 N -2.07 4.45 0.47 2.62 1.01 -1.06 -4.91 120.40 120.91 1u48 s VAL 697 Ca 0.40 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 64.04 1u48 s VAL 697 Cb 0.21 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1u48 s VAL 697 CO 0.37 -0.40 0.74 0.42 0.00 0.00 0.00 175.10 176.23 1u48 s THR 698 N 3.69 4.44 0.26 3.92 -4.23 -1.26 -4.93 115.64 117.53 1u48 s THR 698 Ca 0.48 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1u48 s THR 698 Cb -0.14 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1u48 s THR 698 CO 0.15 -0.59 1.77 -0.65 -0.54 0.00 0.00 174.62 174.76 1u48 h PRO 699 N 0.27 0.62 -0.21 3.99 0.11 -2.00 -1.58 132.00 133.21 1u48 h PRO 699 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1u48 h PRO 699 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1u48 h PRO 699 CO 0.60 0.41 -0.25 -0.97 -0.21 0.00 0.00 178.00 177.58 1u48 h ASN 700 N 0.64 0.38 -0.44 -2.05 -1.24 -1.99 -1.58 115.58 109.30 1u48 h ASN 700 Ca 0.45 -0.12 -0.06 0.00 0.71 0.00 0.00 56.30 57.28 1u48 h ASN 700 Cb 0.62 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1u48 h ASN 700 CO -0.35 0.64 0.05 0.24 -1.29 0.00 0.00 177.43 176.71 1u48 h MET 701 N 0.34 0.75 -0.54 6.67 2.86 -1.69 -2.09 114.93 121.23 1u48 h MET 701 Ca 0.05 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1u48 h MET 701 Cb 0.63 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1u48 h MET 701 CO 0.05 0.79 0.07 -0.09 1.06 0.00 0.00 176.91 178.78 1u48 h ARG 702 N 0.60 0.91 -0.61 1.72 2.43 -1.16 -0.71 114.38 117.56 1u48 h ARG 702 Ca 0.13 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1u48 h ARG 702 Cb 0.42 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1u48 h ARG 702 CO 0.01 0.89 0.30 -0.09 -1.51 0.00 0.00 179.97 179.58 1u48 h ARG 703 N 0.79 0.54 -0.05 0.20 2.43 -1.12 0.19 114.38 117.37 1u48 h ARG 703 Ca 0.16 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1u48 h ARG 703 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1u48 h ARG 703 CO 0.01 0.36 -0.70 1.96 -1.51 0.00 0.00 179.97 180.10 1u48 h GLN 704 N 0.56 0.26 -0.25 0.20 4.20 -1.14 -2.05 115.11 116.90 1u48 h GLN 704 Ca 0.29 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1u48 h GLN 704 Cb 0.24 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1u48 h GLN 704 CO -0.21 0.86 -0.27 0.00 -0.67 0.00 0.00 178.83 178.53 1u48 h ALA 705 N 1.08 1.07 -0.40 3.87 0.00 -0.45 -1.27 119.26 123.16 1u48 h ALA 705 Ca -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1u48 h ALA 705 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1u48 h ALA 705 CO 0.11 0.57 0.11 -0.22 0.00 0.00 0.00 179.25 179.82 1u48 h LYS 706 N 0.42 0.64 -0.26 0.00 3.64 -0.43 -1.31 116.57 119.26 1u48 h LYS 706 Ca 0.06 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1u48 h LYS 706 Cb 0.70 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1u48 h LYS 706 CO 0.05 0.65 -0.05 0.00 -2.27 0.00 0.00 179.45 177.83 1u48 h ALA 707 N 0.96 1.43 -0.38 5.00 0.00 -1.03 -1.74 119.26 123.50 1u48 h ALA 707 Ca 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1u48 h ALA 707 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u48 h ALA 707 CO -0.00 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.83 1u48 h VAL 708 N 0.39 1.28 -0.80 0.00 2.07 -0.87 -2.04 116.25 116.27 1u48 h VAL 708 Ca 0.08 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1u48 h VAL 708 Cb 0.35 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1u48 h VAL 708 CO 0.01 0.40 0.47 0.78 0.02 0.00 0.00 177.57 179.25 1u48 h ASN 709 N 0.55 0.97 -0.47 0.57 2.35 -0.64 -0.25 115.58 118.66 1u48 h ASN 709 Ca 0.10 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1u48 h ASN 709 Cb 0.62 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1u48 h ASN 709 CO 0.04 0.75 0.23 -0.26 -1.65 0.00 0.00 177.43 176.54 1u48 h PHE 710 N 1.11 0.67 -0.28 1.19 0.04 -1.15 -2.37 116.94 116.16 1u48 h PHE 710 Ca 0.29 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 1u48 h PHE 710 Cb -0.03 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 1u48 h PHE 710 CO 0.01 0.54 0.17 0.78 -0.60 0.00 0.00 178.31 179.20 1u48 h GLY 711 N 0.62 0.41 0.38 -1.45 0.00 -0.63 -0.86 103.07 101.53 1u48 h GLY 711 Ca 0.16 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.44 1u48 h GLY 711 CO -0.02 0.16 0.42 -2.22 0.00 0.00 0.00 176.54 174.88 1u48 h ILE 712 N 0.35 0.81 -0.20 2.60 1.08 -0.88 0.10 117.51 121.38 1u48 h ILE 712 Ca 0.10 -0.23 -0.17 0.00 -0.39 0.00 0.00 64.86 64.17 1u48 h ILE 712 Cb 0.02 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 1u48 h ILE 712 CO -0.02 0.12 -0.58 0.58 -0.69 0.00 0.00 178.15 177.56 1u48 h VAL 713 N 0.66 1.31 0.00 1.67 2.07 -1.13 -3.20 116.25 117.64 1u48 h VAL 713 Ca 0.41 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1u48 h VAL 713 Cb 0.48 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1u48 h VAL 713 CO -0.30 0.57 0.00 -1.22 0.02 0.00 0.00 177.57 176.64 1u48 n TYR 714 N -3.96 0.97 0.00 1.57 0.53 -0.35 -4.16 117.16 111.76 1u48 n TYR 714 Ca -0.04 0.29 0.00 0.00 -1.02 0.00 0.00 57.90 57.13 1u48 n TYR 714 Cb 0.63 -0.97 0.00 0.00 -1.03 0.00 0.00 39.34 37.97 1u48 n TYR 714 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u48 n GLY 715 N 1.22 0.48 3.58 2.72 0.00 0.24 -4.59 105.19 108.83 1u48 n GLY 715 Ca 0.05 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1u48 n GLY 715 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u48 n ILE 716 N 0.00 2.57 -3.63 -0.61 0.13 -0.48 -4.88 119.36 112.46 1u48 n ILE 716 Ca 0.00 -0.50 -0.05 0.00 -1.10 0.00 0.00 62.75 61.10 1u48 n ILE 716 Cb 0.00 -1.03 -0.07 0.00 -0.84 0.00 0.00 39.64 37.70 1u48 n ILE 716 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1u48 s SER 717 N -0.90 -0.78 0.21 9.51 1.04 -1.26 -4.98 113.70 116.53 1u48 s SER 717 Ca 0.66 1.23 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 1u48 s SER 717 Cb -0.53 1.38 0.26 0.00 0.10 0.00 0.00 66.02 67.23 1u48 s SER 717 CO 0.55 -0.19 1.77 -2.24 0.98 0.00 0.00 173.24 174.11 1u48 h ASP 718 N 6.72 0.37 -0.24 7.02 3.04 -1.90 -0.80 116.42 130.63 1u48 h ASP 718 Ca -0.28 0.05 0.03 0.00 -3.24 0.00 0.00 57.03 53.60 1u48 h ASP 718 Cb 1.20 -0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 39.46 1u48 h ASP 718 CO 0.17 0.23 0.06 0.22 -2.04 0.00 0.00 179.24 177.87 1u48 h TYR 719 N 0.52 0.10 -0.45 4.15 3.20 -1.95 0.30 116.97 122.84 1u48 h TYR 719 Ca 0.30 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1u48 h TYR 719 Cb 0.29 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1u48 h TYR 719 CO -0.12 0.03 0.18 0.78 -1.64 0.00 0.00 178.16 177.39 1u48 h GLY 720 N 0.16 0.72 0.96 1.82 0.00 -1.83 -1.29 103.07 103.60 1u48 h GLY 720 Ca 0.11 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1u48 h GLY 720 CO -0.14 0.37 -0.02 -2.00 0.00 0.00 0.00 176.54 174.75 1u48 h LEU 721 N 0.58 0.73 -0.57 3.11 5.85 -0.94 -2.12 115.31 121.95 1u48 h LEU 721 Ca 0.15 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1u48 h LEU 721 Cb 0.19 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1u48 h LEU 721 CO -0.01 0.87 0.29 0.00 -0.34 0.00 0.00 178.44 179.25 1u48 h ALA 722 N 0.89 0.74 -0.13 1.25 0.00 -0.23 0.64 119.26 122.41 1u48 h ALA 722 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u48 h ALA 722 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1u48 h ALA 722 CO 0.02 -0.06 0.08 0.37 0.00 0.00 0.00 179.25 179.67 1u48 h GLN 723 N 0.54 0.18 -0.82 0.00 5.75 -1.10 0.22 115.11 119.88 1u48 h GLN 723 Ca 0.26 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1u48 h GLN 723 Cb 0.18 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1u48 h GLN 723 CO -0.18 0.15 0.36 -0.97 -2.65 0.00 0.00 178.83 175.53 1u48 h ASN 724 N 0.16 1.09 0.07 -0.69 -0.73 -0.79 -2.87 115.58 111.83 1u48 h ASN 724 Ca 0.05 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.07 1u48 h ASN 724 Cb 0.01 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.32 1u48 h ASN 724 CO -0.01 0.95 -0.12 0.18 -0.37 0.00 0.00 177.43 178.05 1u48 n LEU 725 N -4.29 1.54 -3.55 0.34 4.77 0.16 -4.95 117.00 111.02 1u48 n LEU 725 Ca 0.08 -0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 55.37 1u48 n LEU 725 Cb 0.16 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1u48 n LEU 725 CO 0.40 0.27 0.06 0.59 -1.33 0.00 0.00 177.39 177.38 1u48 n ASN 726 N 0.01 -2.18 -3.98 -1.43 3.02 0.63 -5.00 115.26 106.33 1u48 n ASN 726 Ca 0.15 -0.69 -0.23 0.00 -0.03 0.00 0.00 54.58 53.79 1u48 n ASN 726 Cb 0.39 -4.73 -0.09 0.00 -0.61 0.00 0.00 39.78 34.75 1u48 n ASN 726 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1u48 s ILE 727 N -3.46 0.46 0.68 2.41 -4.36 -0.35 -5.04 121.20 111.54 1u48 s ILE 727 Ca 0.07 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.32 1u48 s ILE 727 Cb -0.03 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.25 1u48 s ILE 727 CO 0.76 0.00 1.10 -0.55 0.24 0.00 0.00 174.94 176.49 1u48 s SER 728 N -3.50 5.00 0.19 4.36 0.15 -1.26 -4.54 113.70 114.10 1u48 s SER 728 Ca 0.30 1.94 -0.06 0.00 0.70 0.00 0.00 55.95 58.84 1u48 s SER 728 Cb 0.03 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.92 1u48 s SER 728 CO 0.17 -1.70 1.58 -0.09 1.20 0.00 0.00 173.24 174.41 1u48 h ARG 729 N -0.24 0.81 -0.64 5.44 2.43 -1.94 -1.06 114.38 119.19 1u48 h ARG 729 Ca -0.46 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 58.30 1u48 h ARG 729 Cb 1.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1u48 h ARG 729 CO 0.54 0.99 0.20 1.57 -1.51 0.00 0.00 179.97 181.76 1u48 h LYS 730 N 0.69 0.99 -0.47 0.20 2.10 -1.93 0.27 116.57 118.42 1u48 h LYS 730 Ca 0.08 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 1u48 h LYS 730 Cb 0.81 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.98 1u48 h LYS 730 CO 0.07 0.86 0.16 0.93 -2.00 0.00 0.00 179.45 179.48 1u48 h GLU 731 N 0.91 0.71 -0.75 0.07 5.08 -1.88 -0.90 114.58 117.82 1u48 h GLU 731 Ca 0.21 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1u48 h GLU 731 Cb 0.28 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1u48 h GLU 731 CO -0.01 0.66 0.28 0.00 -1.00 0.00 0.00 179.01 178.95 1u48 h ALA 732 N 1.01 0.98 -0.57 3.43 0.00 -0.94 -2.15 119.26 121.03 1u48 h ALA 732 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1u48 h ALA 732 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1u48 h ALA 732 CO -0.01 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.07 1u48 h ALA 733 N 1.14 1.29 -0.61 0.00 0.00 -0.59 -1.57 119.26 118.93 1u48 h ALA 733 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1u48 h ALA 733 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1u48 h ALA 733 CO -0.02 0.52 0.08 0.93 0.00 0.00 0.00 179.25 180.76 1u48 h GLU 734 N 0.82 1.01 -0.16 0.00 5.08 -0.59 -0.54 114.58 120.20 1u48 h GLU 734 Ca 0.19 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1u48 h GLU 734 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1u48 h GLU 734 CO -0.01 0.95 0.08 0.74 -1.00 0.00 0.00 179.01 179.76 1u48 h PHE 735 N 0.95 0.24 -0.80 4.33 0.05 -0.80 -0.95 116.94 119.96 1u48 h PHE 735 Ca 0.19 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.97 1u48 h PHE 735 Cb 0.44 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.28 1u48 h PHE 735 CO 0.03 0.27 0.53 0.82 -0.18 0.00 0.00 178.31 179.78 1u48 h ILE 736 N 0.13 1.21 -0.37 -0.55 2.04 -1.08 0.08 117.51 118.97 1u48 h ILE 736 Ca 0.06 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1u48 h ILE 736 Cb 0.12 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1u48 h ILE 736 CO -0.01 0.20 0.17 -0.08 0.00 0.00 0.00 178.15 178.43 1u48 h GLU 737 N 1.09 0.54 -0.67 2.37 4.81 -0.87 -1.42 114.58 120.43 1u48 h GLU 737 Ca 0.29 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1u48 h GLU 737 Cb -0.13 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1u48 h GLU 737 CO -0.06 0.49 0.33 0.00 -0.73 0.00 0.00 179.01 179.03 1u48 h ARG 738 N 0.46 0.94 -0.12 1.92 2.47 -0.67 -1.91 114.38 117.47 1u48 h ARG 738 Ca 0.13 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1u48 h ARG 738 Cb 0.13 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1u48 h ARG 738 CO -0.01 0.72 0.07 -0.92 0.56 0.00 0.00 179.97 180.39 1u48 h TYR 739 N 0.94 0.16 0.00 3.04 3.20 -0.44 -2.34 116.97 121.53 1u48 h TYR 739 Ca 0.23 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1u48 h TYR 739 Cb 0.08 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1u48 h TYR 739 CO 0.01 0.15 -0.18 0.74 -1.64 0.00 0.00 178.16 177.24 1u48 h PHE 740 N 0.13 0.00 -0.24 -3.82 0.04 -0.93 0.13 116.94 112.25 1u48 h PHE 740 Ca 0.04 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1u48 h PHE 740 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1u48 h PHE 740 CO -0.06 0.18 -0.43 0.93 -0.60 0.00 0.00 178.31 178.33 1u48 h GLU 741 N 0.00 0.59 0.00 1.51 5.08 -0.94 -2.34 114.58 118.48 1u48 h GLU 741 Ca -0.00 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 57.87 1u48 h GLU 741 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1u48 h GLU 741 CO 0.02 0.91 -0.94 0.77 -1.00 0.00 0.00 179.01 178.77 1u48 h SER 742 N 0.48 0.00 -2.13 1.42 0.02 -0.81 -3.38 113.55 109.15 1u48 h SER 742 Ca 0.03 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.41 1u48 h SER 742 Cb 0.95 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 1u48 h SER 742 CO 0.09 0.73 -0.79 0.49 -1.14 0.00 0.00 176.83 176.20 1u48 n PHE 743 N -3.19 2.29 0.15 3.45 3.01 0.37 -4.80 117.46 118.73 1u48 n PHE 743 Ca -0.03 -3.94 0.14 0.00 1.01 0.00 0.00 57.45 54.63 1u48 n PHE 743 Cb 0.85 -0.48 0.67 0.00 -0.01 0.00 0.00 39.48 40.52 1u48 n PHE 743 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u48 h PRO 744 N 3.87 0.00 -0.47 -1.08 0.13 -1.61 -1.46 132.00 131.39 1u48 h PRO 744 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.17 1u48 h PRO 744 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1u48 h PRO 744 CO 0.70 0.00 -0.14 0.78 -0.23 0.00 0.00 178.00 179.11 1u48 h GLY 745 N 0.00 0.97 1.05 1.56 0.00 -1.88 -0.89 103.07 103.88 1u48 h GLY 745 Ca 0.11 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 1u48 h GLY 745 CO -0.00 0.72 -0.07 -2.08 0.00 0.00 0.00 176.54 175.10 1u48 h VAL 746 N 0.80 1.27 -0.36 4.60 2.07 -1.55 -1.45 116.25 121.62 1u48 h VAL 746 Ca 0.12 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1u48 h VAL 746 Cb 0.67 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1u48 h VAL 746 CO 0.05 0.42 0.23 0.50 0.02 0.00 0.00 177.57 178.79 1u48 h LYS 747 N 0.82 0.45 -0.59 1.57 3.64 -1.18 -1.40 116.57 119.89 1u48 h LYS 747 Ca 0.14 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1u48 h LYS 747 Cb 0.62 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1u48 h LYS 747 CO 0.04 0.30 0.37 -0.09 -2.27 0.00 0.00 179.45 177.80 1u48 h ARG 748 N 0.47 0.71 -0.26 1.90 2.43 -0.96 -2.07 114.38 116.60 1u48 h ARG 748 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1u48 h ARG 748 Cb -0.04 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1u48 h ARG 748 CO -0.04 0.47 0.16 -0.92 -1.51 0.00 0.00 179.97 178.13 1u48 h TYR 749 N 0.73 0.34 -0.69 2.20 3.20 -0.91 0.14 116.97 121.99 1u48 h TYR 749 Ca 0.23 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1u48 h TYR 749 Cb -0.01 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1u48 h TYR 749 CO -0.05 0.25 0.42 0.52 -1.64 0.00 0.00 178.16 177.66 1u48 h MET 750 N 0.33 0.93 -0.24 1.82 2.86 -1.04 0.48 114.93 120.07 1u48 h MET 750 Ca 0.09 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1u48 h MET 750 Cb 0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1u48 h MET 750 CO -0.02 0.66 0.05 0.93 1.06 0.00 0.00 176.91 179.59 1u48 h GLU 751 N 0.93 0.38 -0.56 1.72 5.08 -1.21 -2.88 114.58 118.05 1u48 h GLU 751 Ca 0.25 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1u48 h GLU 751 Cb -0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1u48 h GLU 751 CO -0.05 0.50 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.48 1u48 h ASN 752 N 0.20 1.03 -0.09 1.42 -0.26 -0.25 -2.48 115.58 115.16 1u48 h ASN 752 Ca 0.07 -0.33 -0.09 0.00 -0.56 0.00 0.00 56.30 55.39 1u48 h ASN 752 Cb 0.30 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1u48 h ASN 752 CO 0.00 1.12 -0.23 -0.29 -1.06 0.00 0.00 177.43 176.97 1u48 h ILE 753 N 0.92 1.26 -0.43 2.81 6.09 -0.07 0.00 117.51 128.10 1u48 h ILE 753 Ca 0.15 -1.24 -0.15 0.00 -1.37 0.00 0.00 64.86 62.25 1u48 h ILE 753 Cb 0.64 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 1u48 h ILE 753 CO 0.04 0.40 -0.32 0.58 -3.07 0.00 0.00 178.15 175.78 1u48 h VAL 754 N 0.45 1.27 -0.64 2.19 2.07 -1.45 -0.36 116.25 119.79 1u48 h VAL 754 Ca 0.07 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1u48 h VAL 754 Cb 0.65 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1u48 h VAL 754 CO 0.05 0.51 0.13 -0.61 0.02 0.00 0.00 177.57 177.67 1u48 h GLN 755 N 0.81 1.02 -0.39 1.57 4.15 -1.09 -2.37 115.11 118.81 1u48 h GLN 755 Ca 0.08 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1u48 h GLN 755 Cb 0.91 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1u48 h GLN 755 CO 0.08 0.92 -0.22 1.49 -1.93 0.00 0.00 178.83 179.17 1u48 h GLU 756 N 0.97 0.84 -0.76 1.69 4.81 -0.75 -1.26 114.58 120.11 1u48 h GLU 756 Ca 0.20 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1u48 h GLU 756 Cb 0.37 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1u48 h GLU 756 CO 0.00 1.02 0.50 0.00 -0.73 0.00 0.00 179.01 179.81 1u48 h ALA 757 N 0.80 1.46 -0.21 2.92 0.00 -0.89 0.86 119.26 124.20 1u48 h ALA 757 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1u48 h ALA 757 Cb 0.79 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u48 h ALA 757 CO 0.06 0.50 -0.17 -0.22 0.00 0.00 0.00 179.25 179.42 1u48 h LYS 758 N 1.02 0.49 -0.31 0.00 3.64 -1.19 0.27 116.57 120.49 1u48 h LYS 758 Ca 0.28 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1u48 h LYS 758 Cb -0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1u48 h LYS 758 CO -0.06 0.81 -0.14 0.37 -2.27 0.00 0.00 179.45 178.16 1u48 h GLN 759 N 0.18 0.64 0.00 1.90 -0.00 -0.73 -3.32 115.11 113.78 1u48 h GLN 759 Ca 0.04 -0.27 -0.26 0.00 -0.00 0.00 0.00 58.65 58.16 1u48 h GLN 759 Cb 0.70 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.11 1u48 h GLN 759 CO 0.04 0.86 -1.69 1.63 0.00 0.00 0.00 178.83 179.67 1u48 n LYS 760 N -4.40 0.63 -0.13 1.69 5.02 0.25 -4.98 118.16 116.25 1u48 n LYS 760 Ca -0.03 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1u48 n LYS 760 Cb 0.37 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1u48 n LYS 760 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u48 n GLY 761 N 1.52 0.56 3.85 0.72 0.00 0.93 -5.03 105.19 107.74 1u48 n GLY 761 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1u48 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u48 s TYR 762 N -2.30 -0.14 0.17 1.61 -0.85 -1.18 -1.47 117.35 113.20 1u48 s TYR 762 Ca 0.00 -0.35 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 1u48 s TYR 762 Cb 0.00 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 43.02 1u48 s TYR 762 CO 0.00 -1.29 -0.13 0.14 -1.52 0.00 0.00 175.55 172.75 1u48 s VAL 763 N -3.69 1.52 0.27 -3.49 -7.23 -0.75 -4.19 120.40 102.84 1u48 s VAL 763 Ca 0.12 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1u48 s VAL 763 Cb -0.06 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1u48 s VAL 763 CO 0.08 -0.60 0.01 0.42 -0.31 0.00 0.00 175.10 174.70 1u48 s THR 764 N -2.89 1.15 0.48 5.32 -4.23 -1.26 -1.70 115.64 112.51 1u48 s THR 764 Ca 0.18 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1u48 s THR 764 Cb -0.01 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1u48 s THR 764 CO 0.04 -0.20 0.41 0.42 -0.54 0.00 0.00 174.62 174.75 1u48 s THR 765 N -3.34 2.15 0.30 3.99 -4.23 -0.30 -4.58 115.64 109.64 1u48 s THR 765 Ca 0.32 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1u48 s THR 765 Cb 0.06 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.64 1u48 s THR 765 CO 0.12 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.87 1u48 h LEU 766 N 0.87 0.66 -3.46 4.79 3.38 -1.89 -0.48 115.31 119.17 1u48 h LEU 766 Ca -0.38 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1u48 h LEU 766 Cb 1.28 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1u48 h LEU 766 CO 0.57 0.18 0.10 0.18 0.09 0.00 0.00 178.44 179.56 1u48 n LEU 767 N -4.85 5.60 -0.42 1.67 4.77 -1.26 -4.93 117.00 117.58 1u48 n LEU 767 Ca 0.24 -2.87 -0.05 0.00 -0.03 0.00 0.00 56.01 53.30 1u48 n LEU 767 Cb 0.62 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1u48 n LEU 767 CO 0.19 0.67 -0.05 1.41 -1.33 0.00 0.00 177.39 178.27 1u48 n HIS 768 N 0.32 -0.05 -2.44 -1.77 8.25 -0.19 -4.71 115.22 114.62 1u48 n HIS 768 Ca 0.31 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.42 1u48 n HIS 768 Cb 1.21 -1.32 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 1u48 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u48 s ARG 769 N -2.81 3.65 0.10 -0.41 3.52 -1.26 -4.76 118.95 116.97 1u48 s ARG 769 Ca 0.00 1.45 0.01 0.00 -0.13 0.00 0.00 55.73 57.06 1u48 s ARG 769 Cb 0.00 -2.06 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 1u48 s ARG 769 CO 0.00 -0.57 -0.05 -0.98 -0.81 0.00 0.00 175.30 172.89 1u48 s ARG 770 N -3.26 0.82 -0.06 5.12 1.70 -1.26 -1.15 118.95 120.85 1u48 s ARG 770 Ca 0.69 -1.33 -0.03 0.00 -0.47 0.00 0.00 55.73 54.59 1u48 s ARG 770 Cb -0.19 -0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.13 1u48 s ARG 770 CO 0.22 -0.06 0.12 0.50 -1.08 0.00 0.00 175.30 175.00 1u48 s ARG 771 N -3.87 0.01 0.19 3.89 3.52 -0.69 -4.68 118.95 117.32 1u48 s ARG 771 Ca 0.13 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 1u48 s ARG 771 Cb 0.06 -0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 33.06 1u48 s ARG 771 CO -0.05 -0.27 0.96 0.71 -0.81 0.00 0.00 175.30 175.84 1u48 s TYR 772 N 1.94 3.89 -0.56 5.12 1.51 -1.26 -1.82 117.35 126.17 1u48 s TYR 772 Ca 0.00 1.85 0.07 0.00 -1.01 0.00 0.00 57.07 57.98 1u48 s TYR 772 Cb -0.12 -3.03 0.24 0.00 -0.11 0.00 0.00 41.96 38.94 1u48 s TYR 772 CO -0.05 0.28 0.65 1.28 -1.11 0.00 0.00 175.55 176.60 1u48 n LEU 773 N 1.99 2.45 0.27 -1.29 4.77 -0.54 -4.94 117.00 119.72 1u48 n LEU 773 Ca -0.00 -5.16 0.11 0.00 -0.03 0.00 0.00 56.01 50.93 1u48 n LEU 773 Cb 0.48 -0.22 0.74 0.00 -2.33 0.00 0.00 43.42 42.09 1u48 n LEU 773 CO 0.51 2.04 1.04 1.55 -1.33 0.00 0.00 177.39 181.20 1u48 h PRO 774 N 4.22 0.00 0.00 3.23 0.13 -1.96 -2.05 132.00 135.58 1u48 h PRO 774 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1u48 h PRO 774 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1u48 h PRO 774 CO 0.70 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 1u48 n ASP 775 N -4.06 0.17 0.26 1.44 10.43 -1.26 -3.01 116.55 120.51 1u48 n ASP 775 Ca -0.03 0.54 0.17 0.00 2.57 0.00 0.00 54.79 58.05 1u48 n ASP 775 Cb 0.14 -0.58 0.90 0.00 1.84 0.00 0.00 41.12 43.43 1u48 n ASP 775 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1u48 h ILE 776 N 0.00 0.00 -0.23 0.53 6.09 -1.65 -1.76 117.51 120.49 1u48 h ILE 776 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1u48 h ILE 776 Cb 0.29 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1u48 h ILE 776 CO 0.00 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.43 1u48 n THR 777 N -2.73 0.68 -1.85 2.19 -2.24 -1.16 -4.96 114.28 104.20 1u48 n THR 777 Ca -0.02 -0.84 -0.38 0.00 -2.27 0.00 0.00 64.05 60.55 1u48 n THR 777 Cb 0.09 0.73 0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1u48 n THR 777 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u48 s SER 778 N -0.97 5.29 0.00 3.42 0.15 -0.66 -4.91 113.70 116.02 1u48 s SER 778 Ca 0.19 2.66 0.23 0.00 0.70 0.00 0.00 55.95 59.73 1u48 s SER 778 Cb 0.11 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.57 1u48 s SER 778 CO 0.15 -1.55 1.57 0.54 1.20 0.00 0.00 173.24 175.15 1u48 n ARG 779 N -1.12 1.79 -3.18 5.44 3.00 -1.26 -4.63 116.66 116.70 1u48 n ARG 779 Ca 0.11 -1.18 -0.42 0.00 -0.01 0.00 0.00 57.85 56.35 1u48 n ARG 779 Cb 0.46 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.42 1u48 n ARG 779 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u48 s ASN 780 N -1.68 6.35 0.22 0.55 3.84 -1.26 -4.97 114.94 117.99 1u48 s ASN 780 Ca 0.34 -0.05 -0.10 0.00 0.21 0.00 0.00 52.86 53.26 1u48 s ASN 780 Cb 0.19 -2.29 0.33 0.00 -0.55 0.00 0.00 41.25 38.92 1u48 s ASN 780 CO 0.28 -0.57 1.65 0.15 -2.79 0.00 0.00 177.10 175.83 1u48 h PHE 781 N 8.54 -0.08 -0.22 0.43 3.04 -1.99 -0.28 116.94 126.38 1u48 h PHE 781 Ca -0.27 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.72 1u48 h PHE 781 Cb 1.11 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1u48 h PHE 781 CO 0.73 -0.20 0.10 -0.91 -2.02 0.00 0.00 178.31 176.01 1u48 h ASN 782 N 0.10 0.29 -0.51 0.41 2.35 -1.97 -0.46 115.58 115.78 1u48 h ASN 782 Ca 0.34 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1u48 h ASN 782 Cb 0.57 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1u48 h ASN 782 CO -0.58 0.34 0.21 0.58 -1.65 0.00 0.00 177.43 176.33 1u48 h VAL 783 N 0.21 1.21 -0.56 2.81 2.07 -1.83 -2.26 116.25 117.90 1u48 h VAL 783 Ca 0.07 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1u48 h VAL 783 Cb 0.13 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1u48 h VAL 783 CO -0.01 0.25 0.21 -0.09 0.02 0.00 0.00 177.57 177.95 1u48 h ARG 784 N 0.69 0.85 -0.63 1.57 2.43 -0.93 -2.68 114.38 115.68 1u48 h ARG 784 Ca 0.17 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1u48 h ARG 784 Cb 0.19 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1u48 h ARG 784 CO -0.01 0.75 0.20 0.77 -1.51 0.00 0.00 179.97 180.17 1u48 h SER 785 N 0.78 0.88 -0.63 -3.80 0.02 -0.92 -0.39 113.55 109.49 1u48 h SER 785 Ca 0.19 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1u48 h SER 785 Cb 0.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1u48 h SER 785 CO -0.01 0.82 0.36 0.15 -1.14 0.00 0.00 176.83 177.02 1u48 h PHE 786 N 0.92 0.85 -0.34 3.45 -0.00 -1.24 -0.61 116.94 119.97 1u48 h PHE 786 Ca 0.21 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 58.10 1u48 h PHE 786 Cb 0.26 -0.28 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 1u48 h PHE 786 CO 0.02 0.60 -0.09 0.00 -0.00 0.00 0.00 178.31 178.84 1u48 h ALA 787 N 1.18 1.22 -0.50 2.41 0.00 -1.07 -2.01 119.26 120.49 1u48 h ALA 787 Ca 0.22 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1u48 h ALA 787 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u48 h ALA 787 CO -0.04 0.51 -0.16 0.93 0.00 0.00 0.00 179.25 180.48 1u48 h GLU 788 N 0.52 0.98 -0.67 0.00 5.08 -0.35 -1.15 114.58 118.99 1u48 h GLU 788 Ca 0.10 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1u48 h GLU 788 Cb 0.47 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1u48 h GLU 788 CO 0.03 1.06 0.25 0.00 -1.00 0.00 0.00 179.01 179.34 1u48 h ARG 789 N 0.86 1.01 -0.77 2.33 3.08 -0.83 -2.13 114.38 117.92 1u48 h ARG 789 Ca 0.12 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1u48 h ARG 789 Cb 0.73 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1u48 h ARG 789 CO 0.06 0.85 0.38 0.52 -1.07 0.00 0.00 179.97 180.71 1u48 h MET 790 N 0.95 1.09 -0.37 0.04 2.86 -1.13 0.18 114.93 118.56 1u48 h MET 790 Ca 0.22 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1u48 h MET 790 Cb 0.23 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1u48 h MET 790 CO -0.01 0.83 0.14 0.00 1.06 0.00 0.00 176.91 178.92 1u48 h ALA 791 N 1.33 1.56 0.20 6.32 0.00 -0.63 -0.04 119.26 128.00 1u48 h ALA 791 Ca 0.27 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1u48 h ALA 791 Cb 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u48 h ALA 791 CO -0.04 0.35 -1.50 0.52 0.00 0.00 0.00 179.25 178.58 1u48 h MET 792 N 0.52 0.42 0.09 0.00 2.07 -0.72 -3.40 114.93 113.90 1u48 h MET 792 Ca 0.13 -0.71 -0.19 0.00 -2.07 0.00 0.00 59.70 56.85 1u48 h MET 792 Cb 0.12 0.27 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1u48 h MET 792 CO -0.01 1.33 -0.94 -0.97 1.07 0.00 0.00 176.91 177.39 1u48 h ASN 793 N 0.11 0.31 -0.72 1.22 -0.73 -0.45 -3.39 115.58 111.94 1u48 h ASN 793 Ca -0.25 -0.88 0.16 0.00 1.87 0.00 0.00 56.30 57.20 1u48 h ASN 793 Cb 2.10 -0.10 -0.11 0.00 0.27 0.00 0.00 38.32 40.48 1u48 h ASN 793 CO 0.23 1.42 0.12 0.74 -0.37 0.00 0.00 177.43 179.56 1u48 h THR 794 N -0.52 0.48 0.00 -3.57 2.02 -1.22 0.67 112.91 110.76 1u48 h THR 794 Ca -0.20 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1u48 h THR 794 Cb 1.54 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1u48 h THR 794 CO 0.05 0.04 -0.15 -0.65 0.37 0.00 0.00 175.52 175.18 1u48 h PRO 795 N 0.21 0.00 0.01 6.66 0.11 -1.77 0.69 132.00 137.90 1u48 h PRO 795 Ca 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 1u48 h PRO 795 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1u48 h PRO 795 CO -0.54 0.15 -0.00 0.82 -0.21 0.00 0.00 178.00 178.22 1u48 h ILE 796 N 0.00 0.37 -0.76 4.15 2.04 -1.15 -2.16 117.51 120.00 1u48 h ILE 796 Ca -0.00 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1u48 h ILE 796 Cb 0.32 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1u48 h ILE 796 CO 0.02 0.12 0.40 -0.61 0.00 0.00 0.00 178.15 178.08 1u48 h GLN 797 N -1.00 1.06 -0.48 2.37 4.15 -1.02 -1.93 115.11 118.26 1u48 h GLN 797 Ca -0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 1u48 h GLN 797 Cb 0.21 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1u48 h GLN 797 CO 0.00 0.80 -0.02 0.78 -1.93 0.00 0.00 178.83 178.46 1u48 h GLY 798 N 1.05 0.94 1.65 2.39 0.00 0.31 -1.89 103.07 107.53 1u48 h GLY 798 Ca 0.26 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1u48 h GLY 798 CO -0.04 0.65 -0.22 1.76 0.00 0.00 0.00 176.54 178.69 1u48 h SER 799 N 0.73 0.41 -0.28 0.19 0.02 -1.21 -0.64 113.55 112.76 1u48 h SER 799 Ca 0.13 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1u48 h SER 799 Cb 0.54 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1u48 h SER 799 CO 0.03 0.64 -0.09 0.00 -1.14 0.00 0.00 176.83 176.26 1u48 h ALA 800 N 1.40 1.10 -0.37 3.77 0.00 -1.14 -1.44 119.26 122.58 1u48 h ALA 800 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1u48 h ALA 800 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u48 h ALA 800 CO 0.04 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.88 1u48 h ALA 801 N 1.27 0.50 -0.07 0.00 0.00 -0.65 -2.47 119.26 117.85 1u48 h ALA 801 Ca 0.11 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1u48 h ALA 801 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u48 h ALA 801 CO 0.03 0.25 -0.08 -0.44 0.00 0.00 0.00 179.25 179.01 1u48 h ASP 802 N 0.47 -0.25 -0.09 0.00 3.32 -0.70 -1.82 116.42 117.36 1u48 h ASP 802 Ca 0.11 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1u48 h ASP 802 Cb 0.43 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1u48 h ASP 802 CO 0.01 -0.11 -0.13 0.40 -1.72 0.00 0.00 179.24 177.69 1u48 h ILE 803 N -0.11 0.65 0.00 0.35 2.04 -1.20 -1.50 117.51 117.74 1u48 h ILE 803 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1u48 h ILE 803 Cb 0.19 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1u48 h ILE 803 CO -0.13 0.00 -0.40 -0.29 0.00 0.00 0.00 178.15 177.33 1u48 h ILE 804 N -0.18 1.22 -0.59 -0.67 2.10 -1.37 -0.30 117.51 117.71 1u48 h ILE 804 Ca 0.08 -1.39 -0.08 0.00 1.08 0.00 0.00 64.86 64.55 1u48 h ILE 804 Cb 0.29 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 37.76 1u48 h ILE 804 CO -0.19 0.39 0.06 0.11 -1.08 0.00 0.00 178.15 177.44 1u48 h LYS 805 N 0.00 1.01 -0.11 2.19 1.57 -0.92 -0.75 116.57 119.56 1u48 h LYS 805 Ca -0.00 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.35 1u48 h LYS 805 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1u48 h LYS 805 CO 0.05 0.97 -0.55 -0.22 -0.57 0.00 0.00 179.45 179.13 1u48 h LYS 806 N 0.91 0.31 -0.76 3.15 3.64 -0.86 -2.61 116.57 120.35 1u48 h LYS 806 Ca 0.18 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1u48 h LYS 806 Cb 0.47 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1u48 h LYS 806 CO 0.02 0.78 0.29 0.00 -2.27 0.00 0.00 179.45 178.26 1u48 h ALA 807 N 1.18 1.08 -0.51 5.00 0.00 -0.66 -0.14 119.26 125.22 1u48 h ALA 807 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u48 h ALA 807 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u48 h ALA 807 CO 0.09 0.65 0.26 0.52 0.00 0.00 0.00 179.25 180.77 1u48 h MET 808 N 1.10 0.72 -0.19 0.00 2.86 -0.82 0.32 114.93 118.92 1u48 h MET 808 Ca 0.25 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1u48 h MET 808 Cb 0.23 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1u48 h MET 808 CO -0.02 0.58 0.05 0.82 1.06 0.00 0.00 176.91 179.40 1u48 h ILE 809 N 0.68 1.20 -0.58 -1.22 2.04 -1.14 -1.90 117.51 116.58 1u48 h ILE 809 Ca 0.18 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1u48 h ILE 809 Cb 0.08 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1u48 h ILE 809 CO -0.03 0.20 0.30 0.44 0.00 0.00 0.00 178.15 179.06 1u48 h ASP 810 N 0.12 0.75 -0.17 1.72 3.32 -0.81 -2.42 116.42 118.93 1u48 h ASP 810 Ca 0.06 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1u48 h ASP 810 Cb 0.26 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1u48 h ASP 810 CO 0.00 0.65 -0.01 0.25 -1.72 0.00 0.00 179.24 178.41 1u48 h LEU 811 N 0.79 -0.09 -1.38 1.55 5.85 -0.23 -1.32 115.31 120.47 1u48 h LEU 811 Ca 0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1u48 h LEU 811 Cb 0.09 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1u48 h LEU 811 CO -0.03 -0.02 0.19 0.78 -0.34 0.00 0.00 178.44 179.02 1u48 h ASN 812 N 0.04 0.55 -0.40 1.25 4.21 -1.17 0.32 115.58 120.38 1u48 h ASN 812 Ca 0.08 -0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.43 1u48 h ASN 812 Cb 0.11 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 1u48 h ASN 812 CO -0.15 0.49 -0.17 0.00 -1.29 0.00 0.00 177.43 176.31 1u48 h ALA 813 N 1.60 0.56 -0.60 -0.83 0.00 -1.08 -2.46 119.26 116.45 1u48 h ALA 813 Ca 0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1u48 h ALA 813 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1u48 h ALA 813 CO -0.02 0.50 0.24 0.00 0.00 0.00 0.00 179.25 179.97 1u48 h ARG 814 N 0.64 0.90 -0.59 0.00 2.47 -0.42 -1.47 114.38 115.91 1u48 h ARG 814 Ca 0.09 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1u48 h ARG 814 Cb 0.71 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1u48 h ARG 814 CO 0.05 0.77 0.25 -0.07 0.56 0.00 0.00 179.97 181.53 1u48 h LEU 815 N 0.84 0.77 -0.09 3.04 3.38 -0.91 -1.57 115.31 120.77 1u48 h LEU 815 Ca 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1u48 h LEU 815 Cb 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u48 h LEU 815 CO -0.02 0.68 -0.09 0.50 0.09 0.00 0.00 178.44 179.61 1u48 h LYS 816 N 0.84 0.22 -0.98 1.13 3.64 -1.15 -1.23 116.57 119.04 1u48 h LYS 816 Ca 0.20 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1u48 h LYS 816 Cb 0.14 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1u48 h LYS 816 CO -0.02 0.64 0.63 0.93 -2.27 0.00 0.00 179.45 179.36 1u48 h GLU 817 N -0.19 1.07 -0.00 1.90 5.08 -1.06 0.01 114.58 121.39 1u48 h GLU 817 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1u48 h GLU 817 Cb 0.60 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1u48 h GLU 817 CO 0.02 0.71 -0.05 0.39 -1.00 0.00 0.00 179.01 179.09 1u48 n GLU 818 N -4.55 0.92 -4.04 2.33 -0.58 -0.61 -4.93 120.64 109.18 1u48 n GLU 818 Ca 0.16 -0.25 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 1u48 n GLU 818 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1u48 n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u48 n ARG 819 N -0.82 -4.44 -2.82 3.49 3.00 -0.01 -4.95 116.66 110.10 1u48 n ARG 819 Ca 0.18 0.50 -0.32 0.00 -0.01 0.00 0.00 57.85 58.20 1u48 n ARG 819 Cb 0.23 -5.29 -0.05 0.00 0.00 0.00 0.00 32.46 27.36 1u48 n ARG 819 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u48 s LEU 820 N -7.26 3.86 0.03 0.55 1.43 -0.60 -4.96 118.68 111.73 1u48 s LEU 820 Ca 0.66 1.36 0.26 0.00 -1.03 0.00 0.00 54.13 55.38 1u48 s LEU 820 Cb -0.35 -4.23 0.68 0.00 0.03 0.00 0.00 46.19 42.32 1u48 s LEU 820 CO 0.87 -0.38 1.55 0.00 0.23 0.00 0.00 176.35 178.62 1u48 n GLN 821 N -1.00 0.05 -1.73 1.70 6.02 -1.26 -4.80 117.38 116.36 1u48 n GLN 821 Ca 0.04 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.65 1u48 n GLN 821 Cb 0.54 -1.54 0.02 0.00 1.02 0.00 0.00 30.24 30.28 1u48 n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u48 n ALA 822 N -1.56 1.60 -3.22 -1.58 0.00 -1.26 -4.89 120.51 109.59 1u48 n ALA 822 Ca 0.06 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1u48 n ALA 822 Cb 0.36 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 1u48 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u48 s HIS 823 N -1.21 -0.20 0.48 0.00 -3.43 -1.00 -5.00 115.29 104.92 1u48 s HIS 823 Ca 0.62 0.28 -0.23 0.00 -0.80 0.00 0.00 55.06 54.93 1u48 s HIS 823 Cb -0.47 0.12 -0.07 0.00 -1.43 0.00 0.00 32.58 30.73 1u48 s HIS 823 CO 0.57 -0.43 1.26 -0.51 -2.00 0.00 0.00 174.74 173.63 1u48 s LEU 824 N -1.45 4.00 -0.03 5.38 1.43 -1.26 -2.45 118.68 124.30 1u48 s LEU 824 Ca -0.12 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1u48 s LEU 824 Cb -0.04 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1u48 s LEU 824 CO 0.03 -1.14 -0.04 0.18 0.23 0.00 0.00 176.35 175.62 1u48 n LEU 825 N -0.55 1.11 -3.99 1.79 4.77 0.53 -4.66 117.00 116.00 1u48 n LEU 825 Ca 0.08 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1u48 n LEU 825 Cb 0.46 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1u48 n LEU 825 CO 0.51 0.22 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.94 1u48 s LEU 826 N -5.86 1.22 -0.04 2.23 1.43 -0.89 -4.79 118.68 111.97 1u48 s LEU 826 Ca -0.04 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.14 1u48 s LEU 826 Cb 0.02 0.96 0.02 0.00 0.03 0.00 0.00 46.19 47.22 1u48 s LEU 826 CO 0.06 -0.83 -0.03 -1.58 0.23 0.00 0.00 176.35 174.20 1u48 s GLN 827 N -3.97 0.70 -0.56 1.70 -0.44 -1.26 -1.03 119.66 114.80 1u48 s GLN 827 Ca 0.17 -0.05 0.06 0.00 -2.50 0.00 0.00 55.36 53.04 1u48 s GLN 827 Cb 0.04 -0.78 0.31 0.00 -1.64 0.00 0.00 33.01 30.95 1u48 s GLN 827 CO -0.01 -0.11 0.83 0.28 0.50 0.00 0.00 175.29 176.78 1u48 n VAL 828 N 4.16 2.16 0.00 1.34 0.31 -0.10 -4.86 118.33 121.33 1u48 n VAL 828 Ca -0.24 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 58.87 1u48 n VAL 828 Cb 0.51 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1u48 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1u48 n HIS 829 N 0.28 0.00 -0.86 3.52 -0.00 -1.26 -3.44 115.22 113.46 1u48 n HIS 829 Ca 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.03 1u48 n HIS 829 Cb 0.44 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.46 1u48 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1u48 n ASP 830 N 1.80 1.14 -3.96 0.41 5.75 -1.26 -4.79 116.55 115.63 1u48 n ASP 830 Ca 0.00 -1.93 -0.09 0.00 -0.01 0.00 0.00 54.79 52.76 1u48 n ASP 830 Cb 0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 1u48 n ASP 830 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1u48 s GLU 831 N -0.91 0.36 -0.09 0.11 -1.05 -1.22 -0.30 118.70 115.59 1u48 s GLU 831 Ca 0.06 -0.58 0.03 0.00 -0.15 0.00 0.00 54.97 54.34 1u48 s GLU 831 Cb 0.06 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1u48 s GLU 831 CO 0.01 -0.07 -0.20 -0.51 0.95 0.00 0.00 175.26 175.44 1u48 s LEU 832 N -1.48 2.37 -0.17 1.83 1.43 0.68 -0.92 118.68 122.42 1u48 s LEU 832 Ca -0.15 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1u48 s LEU 832 Cb -0.09 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1u48 s LEU 832 CO -0.01 0.22 -0.09 -0.63 0.23 0.00 0.00 176.35 176.07 1u48 s ILE 833 N -0.01 3.18 0.33 -0.59 -1.09 -0.20 -0.98 121.20 121.85 1u48 s ILE 833 Ca -0.06 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1u48 s ILE 833 Cb -0.15 -2.39 -0.07 0.00 -1.58 0.00 0.00 42.46 38.28 1u48 s ILE 833 CO 0.05 0.49 0.05 -0.76 -1.23 0.00 0.00 174.94 173.54 1u48 s LEU 834 N 0.82 2.25 0.02 2.97 1.02 0.17 -0.34 118.68 125.59 1u48 s LEU 834 Ca -0.03 -1.38 0.02 0.00 0.02 0.00 0.00 54.13 52.76 1u48 s LEU 834 Cb -0.15 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.61 1u48 s LEU 834 CO 0.01 -0.59 -0.06 -1.83 0.02 0.00 0.00 176.35 173.90 1u48 s GLU 835 N -3.87 0.43 0.18 1.70 -1.05 -1.03 -0.24 118.70 114.83 1u48 s GLU 835 Ca 0.36 -0.42 -0.24 0.00 -0.15 0.00 0.00 54.97 54.53 1u48 s GLU 835 Cb 0.09 -0.31 0.05 0.00 -0.44 0.00 0.00 34.13 33.52 1u48 s GLU 835 CO 0.16 0.07 0.82 0.00 0.95 0.00 0.00 175.26 177.26 1u48 s ALA 836 N -0.67 -1.51 0.58 -0.84 0.00 -0.62 -2.38 121.76 116.33 1u48 s ALA 836 Ca -0.04 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 1u48 s ALA 836 Cb -0.05 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1u48 s ALA 836 CO 0.00 -0.96 1.35 -2.14 0.00 0.00 0.00 175.76 174.00 1u48 s PRO 837 N -3.56 2.92 0.55 0.00 0.02 -1.26 -0.17 135.00 133.51 1u48 s PRO 837 Ca 0.09 2.20 0.23 0.00 0.02 0.00 0.00 61.00 63.54 1u48 s PRO 837 Cb -0.03 -2.12 1.48 0.00 0.02 0.00 0.00 34.50 33.85 1u48 s PRO 837 CO 0.01 -1.35 2.15 1.57 -0.33 0.00 0.00 177.00 179.04 1u48 h LYS 838 N 1.14 0.00 0.00 5.54 2.10 -1.56 -0.17 116.57 123.62 1u48 h LYS 838 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1u48 h LYS 838 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1u48 h LYS 838 CO 0.56 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.40 1u48 n GLU 839 N -4.23 0.08 0.00 0.07 4.71 -1.26 -2.69 120.64 117.32 1u48 n GLU 839 Ca -0.00 0.37 0.10 0.00 -0.01 0.00 0.00 57.16 57.62 1u48 n GLU 839 Cb 0.20 -1.66 -0.01 0.00 -1.01 0.00 0.00 31.44 28.96 1u48 n GLU 839 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u48 n GLU 840 N -1.81 1.31 -0.09 3.49 1.02 -0.08 -4.61 120.64 119.88 1u48 n GLU 840 Ca 0.02 -0.91 -0.06 0.00 -0.02 0.00 0.00 57.16 56.19 1u48 n GLU 840 Cb 0.16 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1u48 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1u48 h MET 841 N 2.18 0.07 -0.78 3.49 2.86 -1.58 -1.27 114.93 119.90 1u48 h MET 841 Ca 0.00 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1u48 h MET 841 Cb 0.69 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1u48 h MET 841 CO 0.00 0.04 0.52 0.93 1.06 0.00 0.00 176.91 179.46 1u48 h GLU 842 N 0.07 0.96 -0.25 1.72 5.08 -1.82 0.10 114.58 120.44 1u48 h GLU 842 Ca 0.16 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1u48 h GLU 842 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1u48 h GLU 842 CO -0.28 0.63 -0.13 0.00 -1.00 0.00 0.00 179.01 178.23 1u48 h ARG 843 N 0.99 0.52 -0.60 2.33 2.47 -1.76 -3.13 114.38 115.20 1u48 h ARG 843 Ca 0.30 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1u48 h ARG 843 Cb 0.00 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1u48 h ARG 843 CO -0.08 0.79 0.25 -0.07 0.56 0.00 0.00 179.97 181.41 1u48 h LEU 844 N 0.24 0.78 -1.72 3.04 4.07 -0.51 -0.22 115.31 120.99 1u48 h LEU 844 Ca 0.05 -0.10 0.14 0.00 0.08 0.00 0.00 57.88 58.06 1u48 h LEU 844 Cb 0.63 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 1u48 h LEU 844 CO 0.04 0.70 0.45 0.00 -1.08 0.00 0.00 178.44 178.54 1u48 n ARG 846 N -4.45 0.69 -0.01 0.00 1.74 -0.92 -4.50 116.66 109.21 1u48 n ARG 846 Ca 0.12 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.34 1u48 n ARG 846 Cb 0.53 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1u48 n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u48 h LEU 847 N -0.19 0.04 0.47 0.55 5.85 -0.80 -3.15 115.31 118.08 1u48 h LEU 847 Ca -0.49 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 57.78 1u48 h LEU 847 Cb 1.86 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1u48 h LEU 847 CO -0.05 0.47 -0.27 0.58 -0.34 0.00 0.00 178.44 178.83 1u48 h VAL 848 N -0.38 0.44 -0.87 1.05 2.07 -1.42 -2.07 116.25 115.06 1u48 h VAL 848 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1u48 h VAL 848 Cb 0.45 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1u48 h VAL 848 CO 0.00 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.49 1u48 h PRO 849 N -0.70 0.95 0.49 1.57 0.11 -1.76 -1.54 132.00 131.12 1u48 h PRO 849 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1u48 h PRO 849 Cb 0.56 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1u48 h PRO 849 CO 0.07 0.63 -0.29 1.49 -0.21 0.00 0.00 178.00 179.69 1u48 h GLU 850 N 0.98 -0.71 -0.70 1.05 4.57 -1.49 0.44 114.58 118.73 1u48 h GLU 850 Ca 0.38 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.68 1u48 h GLU 850 Cb 0.18 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1u48 h GLU 850 CO -0.18 -0.47 0.39 0.28 -1.18 0.00 0.00 179.01 177.85 1u48 h VAL 851 N -0.74 0.95 -0.47 0.32 2.07 -1.17 0.16 116.25 117.37 1u48 h VAL 851 Ca -0.06 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 1u48 h VAL 851 Cb 0.60 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1u48 h VAL 851 CO 0.06 0.13 -0.16 0.24 0.02 0.00 0.00 177.57 177.87 1u48 h MET 852 N 0.70 0.90 0.00 1.57 2.86 -1.05 -1.81 114.93 118.11 1u48 h MET 852 Ca 0.32 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1u48 h MET 852 Cb 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1u48 h MET 852 CO -0.20 0.99 -0.50 0.93 1.06 0.00 0.00 176.91 179.20 1u48 h GLU 853 N 0.80 0.00 -0.30 1.72 5.08 0.61 -3.18 114.58 119.31 1u48 h GLU 853 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1u48 h GLU 853 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1u48 h GLU 853 CO 0.05 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 179.60 1u48 n GLN 854 N -3.68 2.43 -0.28 2.33 1.13 0.49 -4.52 117.38 115.28 1u48 n GLN 854 Ca -0.01 -2.14 0.09 0.00 -1.94 0.00 0.00 57.00 53.00 1u48 n GLN 854 Cb 0.56 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.65 1u48 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u48 h ALA 855 N 4.54 1.14 -2.47 -1.58 0.00 -1.31 -3.42 119.26 116.15 1u48 h ALA 855 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1u48 h ALA 855 Cb 0.96 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1u48 h ALA 855 CO 0.00 -0.37 -0.56 0.14 0.00 0.00 0.00 179.25 178.46 1u48 s VAL 856 N -5.98 0.10 -0.18 0.00 -7.23 -1.26 -4.91 120.40 100.93 1u48 s VAL 856 Ca -0.12 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1u48 s VAL 856 Cb 0.23 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.22 1u48 s VAL 856 CO 0.77 -0.46 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.10 1u48 s THR 857 N -4.02 2.93 0.48 5.32 2.01 -1.26 -4.98 115.64 116.13 1u48 s THR 857 Ca 0.21 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1u48 s THR 857 Cb 0.06 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1u48 s THR 857 CO 0.00 0.48 0.13 -0.76 -0.69 0.00 0.00 174.62 173.79 1u48 s LEU 858 N 1.10 2.65 0.02 4.42 1.43 -1.26 -5.01 118.68 122.03 1u48 s LEU 858 Ca 0.00 -1.40 0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1u48 s LEU 858 Cb -0.14 -1.01 0.71 0.00 0.03 0.00 0.00 46.19 45.77 1u48 s LEU 858 CO -0.03 -0.78 1.53 0.54 0.23 0.00 0.00 176.35 177.84 1u48 n ARG 859 N -1.33 0.02 -4.24 1.70 1.74 -1.26 -4.67 116.66 108.62 1u48 n ARG 859 Ca -0.09 0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 57.05 1u48 n ARG 859 Cb 0.66 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 1u48 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u48 s VAL 860 N -3.02 1.30 0.72 1.55 -7.23 -1.26 -5.02 120.40 107.43 1u48 s VAL 860 Ca 0.08 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1u48 s VAL 860 Cb 0.10 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.52 1u48 s VAL 860 CO 0.31 -0.45 1.09 -2.84 -0.31 0.00 0.00 175.10 172.89 1u48 s PRO 861 N -2.78 2.55 -0.09 4.82 0.02 -1.26 -5.04 135.00 133.22 1u48 s PRO 861 Ca 0.09 1.20 -0.02 0.00 0.02 0.00 0.00 61.00 62.29 1u48 s PRO 861 Cb -0.04 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1u48 s PRO 861 CO 0.03 -1.42 0.01 -0.51 -0.33 0.00 0.00 177.00 174.77 1u48 s LEU 862 N -5.52 3.62 -0.06 -5.54 1.43 -1.26 -5.03 118.68 106.32 1u48 s LEU 862 Ca 0.62 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 1u48 s LEU 862 Cb -0.17 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1u48 s LEU 862 CO 0.51 0.37 -0.20 -0.75 0.23 0.00 0.00 176.35 176.51 1u48 s LYS 863 N -0.84 2.24 -0.09 1.70 2.20 -1.26 -4.83 119.74 118.86 1u48 s LYS 863 Ca 0.13 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1u48 s LYS 863 Cb -0.11 -1.85 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1u48 s LYS 863 CO 0.02 0.24 -0.17 0.08 -0.36 0.00 0.00 175.35 175.16 1u48 s VAL 864 N 0.12 1.57 0.25 4.02 1.01 -1.26 0.04 120.40 126.15 1u48 s VAL 864 Ca -0.08 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1u48 s VAL 864 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1u48 s VAL 864 CO 0.04 0.45 0.38 -1.81 0.00 0.00 0.00 175.10 174.16 1u48 s ASP 865 N 0.66 6.31 0.03 3.32 1.01 -0.29 -4.92 116.67 122.79 1u48 s ASP 865 Ca -0.13 0.09 -0.20 0.00 0.71 0.00 0.00 52.55 53.01 1u48 s ASP 865 Cb -0.16 -1.86 0.04 0.00 1.01 0.00 0.00 42.92 41.95 1u48 s ASP 865 CO 0.04 -0.09 0.46 -0.72 0.21 0.00 0.00 175.17 175.06 1u48 s TYR 866 N -2.01 -0.34 0.13 4.23 -0.85 -1.26 -1.02 117.35 116.23 1u48 s TYR 866 Ca 0.35 0.41 -0.15 0.00 -0.52 0.00 0.00 57.07 57.15 1u48 s TYR 866 Cb -0.09 0.26 0.03 0.00 0.38 0.00 0.00 41.96 42.54 1u48 s TYR 866 CO 0.30 -0.57 0.39 -1.01 -1.52 0.00 0.00 175.55 173.14 1u48 s HIS 867 N -2.16 -0.13 0.02 -3.49 0.09 -0.46 -5.01 115.29 104.14 1u48 s HIS 867 Ca -0.07 -0.20 -0.17 0.00 -0.00 0.00 0.00 55.06 54.62 1u48 s HIS 867 Cb -0.01 0.24 0.03 0.00 -0.00 0.00 0.00 32.58 32.83 1u48 s HIS 867 CO 0.00 -0.72 0.37 1.52 -0.00 0.00 0.00 174.74 175.92 1u48 s TYR 868 N -3.83 -0.23 0.04 1.40 -0.85 -1.26 -0.76 117.35 111.86 1u48 s TYR 868 Ca 0.05 0.24 -0.07 0.00 -0.52 0.00 0.00 57.07 56.77 1u48 s TYR 868 Cb 0.02 0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.55 1u48 s TYR 868 CO -0.10 -0.50 0.33 0.41 -1.52 0.00 0.00 175.55 174.17 1u48 n GLY 869 N 0.79 0.96 0.20 5.49 0.00 -0.18 -4.49 105.19 107.97 1u48 n GLY 869 Ca -0.20 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 44.90 1u48 n GLY 869 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u48 h SER 870 N 0.60 0.00 -5.51 1.61 0.02 -1.87 0.39 113.55 108.79 1u48 h SER 870 Ca -0.08 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.59 1u48 h SER 870 Cb 0.36 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.76 1u48 h SER 870 CO 0.11 0.32 -0.60 0.42 -1.14 0.00 0.00 176.83 175.94 1u48 s THR 871 N -4.15 0.06 0.29 -2.27 -4.23 -1.26 -4.28 115.64 99.79 1u48 s THR 871 Ca -0.03 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1u48 s THR 871 Cb 0.14 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.73 1u48 s THR 871 CO 0.70 0.00 1.96 -0.25 -0.54 0.00 0.00 174.62 176.48 1u48 h TRP 872 N 2.53 1.10 -0.81 3.99 7.01 -1.18 -1.71 115.95 126.88 1u48 h TRP 872 Ca -0.35 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.70 1u48 h TRP 872 Cb 1.25 -0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 27.89 1u48 h TRP 872 CO 0.53 0.68 0.52 -0.92 -2.79 0.00 0.00 178.44 176.47 1u48 h TYR 873 N 1.18 0.99 0.00 2.65 3.20 -1.77 -2.29 116.97 120.93 1u48 h TYR 873 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1u48 h TYR 873 Cb -0.12 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.82 1u48 h TYR 873 CO -0.00 0.60 0.00 -0.44 -1.64 0.00 0.00 178.16 176.68 1u48 h ASP 874 N 1.05 0.00 0.00 -2.11 5.19 -1.65 -3.33 116.42 115.56 1u48 h ASP 874 Ca 0.31 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.37 1u48 h ASP 874 Cb -0.06 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1u48 h ASP 874 CO -0.09 0.00 1.92 0.00 -3.12 0.00 0.00 179.24 177.95 1u48 n ALA 875 N -1.99 5.23 -0.59 3.45 0.00 -0.84 -4.30 120.51 121.46 1u48 n ALA 875 Ca 0.03 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1u48 n ALA 875 Cb 0.37 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1u48 n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86