#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4b s ALA 298 N 0.00 2.25 -0.23 0.00 0.00 -1.26 -5.00 121.76 117.51 1u4b s ALA 298 Ca 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 1u4b s ALA 298 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1u4b s ALA 298 CO 0.00 -1.65 0.15 1.41 0.00 0.00 0.00 175.76 175.67 1u4b s MET 299 N -3.93 4.07 0.34 0.00 1.75 -1.26 -5.07 119.30 115.20 1u4b s MET 299 Ca 0.72 -0.27 -0.27 0.00 -1.25 0.00 0.00 55.69 54.62 1u4b s MET 299 Cb -0.26 -3.51 -0.09 0.00 2.84 0.00 0.00 34.83 33.80 1u4b s MET 299 CO 0.43 0.09 1.14 0.00 -0.65 0.00 0.00 175.02 176.03 1u4b s ALA 300 N 0.98 3.29 -0.01 4.11 0.00 -1.26 -5.03 121.76 123.84 1u4b s ALA 300 Ca 0.07 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1u4b s ALA 300 Cb -0.13 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1u4b s ALA 300 CO 0.04 -0.34 0.94 -0.59 0.00 0.00 0.00 175.76 175.81 1u4b s PHE 301 N -1.31 -0.29 -0.24 0.00 -0.12 -1.26 -4.72 117.98 110.04 1u4b s PHE 301 Ca 0.51 0.14 -0.11 0.00 -0.05 0.00 0.00 56.93 57.42 1u4b s PHE 301 Cb -0.31 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1u4b s PHE 301 CO 0.40 -0.53 0.19 0.99 -0.05 0.00 0.00 175.22 176.21 1u4b s THR 302 N -3.04 5.34 -0.93 -4.49 2.01 -0.20 -4.99 115.64 109.34 1u4b s THR 302 Ca 0.07 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 1u4b s THR 302 Cb -0.01 -3.53 0.13 0.00 0.01 0.00 0.00 72.50 69.10 1u4b s THR 302 CO -0.07 0.33 1.12 -0.22 -0.69 0.00 0.00 174.62 175.09 1u4b s LEU 303 N 1.14 5.07 0.28 4.42 1.98 -1.26 -0.96 118.68 129.34 1u4b s LEU 303 Ca 0.09 -2.05 -0.29 0.00 -2.89 0.00 0.00 54.13 48.99 1u4b s LEU 303 Cb -0.14 -2.40 -0.10 0.00 0.66 0.00 0.00 46.19 44.22 1u4b s LEU 303 CO 0.05 -1.06 1.15 0.00 -1.89 0.00 0.00 176.35 174.60 1u4b s ALA 304 N 2.67 3.43 -0.69 5.97 0.00 -0.64 -4.94 121.76 127.55 1u4b s ALA 304 Ca 0.33 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.48 1u4b s ALA 304 Cb -0.05 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.56 1u4b s ALA 304 CO -0.09 -0.27 0.86 -0.25 0.00 0.00 0.00 175.76 176.01 1u4b n ASP 305 N 1.23 0.66 -3.56 0.00 8.00 -1.26 -4.48 116.55 117.14 1u4b n ASP 305 Ca -0.00 -0.56 -0.13 0.00 0.71 0.00 0.00 54.79 54.81 1u4b n ASP 305 Cb 0.44 1.14 -0.05 0.00 -0.02 0.00 0.00 41.12 42.63 1u4b n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u4b s ARG 306 N -3.16 1.07 0.14 -1.24 1.70 -1.26 -5.00 118.95 111.20 1u4b s ARG 306 Ca 0.04 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 1u4b s ARG 306 Cb 0.15 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.95 1u4b s ARG 306 CO 0.85 -0.40 1.13 0.08 -1.08 0.00 0.00 175.30 175.88 1u4b s VAL 307 N -2.84 3.91 0.29 4.99 1.01 -1.26 -5.05 120.40 121.44 1u4b s VAL 307 Ca -0.03 1.56 0.12 0.00 0.00 0.00 0.00 61.98 63.63 1u4b s VAL 307 Cb -0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1u4b s VAL 307 CO -0.05 0.23 -0.18 0.42 0.00 0.00 0.00 175.10 175.51 1u4b s THR 308 N 0.13 2.42 0.30 3.92 -4.23 -1.26 -5.05 115.64 111.87 1u4b s THR 308 Ca 0.52 -2.38 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1u4b s THR 308 Cb -0.29 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.48 1u4b s THR 308 CO 0.34 -0.38 1.93 -0.08 -0.54 0.00 0.00 174.62 175.89 1u4b h GLU 309 N 2.25 1.03 0.00 3.99 4.81 -1.98 -1.66 114.58 123.01 1u4b h GLU 309 Ca -0.40 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1u4b h GLU 309 Cb 1.26 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1u4b h GLU 309 CO 0.61 0.68 0.00 -0.85 -0.73 0.00 0.00 179.01 178.72 1u4b n GLU 310 N -4.46 0.04 0.00 1.92 0.28 -1.26 -0.93 120.64 116.24 1u4b n GLU 310 Ca 0.12 0.38 0.13 0.00 -0.16 0.00 0.00 57.16 57.63 1u4b n GLU 310 Cb 0.14 -1.60 0.40 0.00 1.43 0.00 0.00 31.44 31.82 1u4b n GLU 310 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1u4b n MET 311 N -1.68 0.12 -1.82 3.44 2.81 -0.63 -4.05 117.12 115.31 1u4b n MET 311 Ca 0.02 -0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 1u4b n MET 311 Cb 0.12 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1u4b n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u4b n LEU 312 N -1.39 6.04 -4.70 4.03 4.77 -0.10 -5.03 117.00 120.61 1u4b n LEU 312 Ca 0.07 -4.64 -0.30 0.00 -0.03 0.00 0.00 56.01 51.11 1u4b n LEU 312 Cb 0.33 -0.62 0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1u4b n LEU 312 CO 0.31 1.88 0.66 0.00 -1.33 0.00 0.00 177.39 178.91 1u4b s ALA 313 N -3.70 1.39 -2.02 -1.18 0.00 -1.26 -4.92 121.76 110.07 1u4b s ALA 313 Ca 0.56 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.60 1u4b s ALA 313 Cb 0.45 -3.22 0.51 0.00 0.00 0.00 0.00 23.12 20.86 1u4b s ALA 313 CO -0.03 -2.49 1.34 -0.40 0.00 0.00 0.00 175.76 174.17 1u4b n ASP 314 N -3.99 0.28 -3.67 0.00 5.68 -1.26 -4.65 116.55 108.94 1u4b n ASP 314 Ca 0.07 -1.76 -0.10 0.00 -0.50 0.00 0.00 54.79 52.50 1u4b n ASP 314 Cb 0.55 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.39 1u4b n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1u4b s LYS 315 N -1.94 0.28 -0.01 0.11 2.47 -1.25 -1.45 119.74 117.95 1u4b s LYS 315 Ca 0.15 0.88 -0.28 0.00 -1.56 0.00 0.00 55.97 55.15 1u4b s LYS 315 Cb 0.07 0.13 0.09 0.00 -1.46 0.00 0.00 37.83 36.66 1u4b s LYS 315 CO 0.12 -0.23 0.76 0.00 0.16 0.00 0.00 175.35 176.15 1u4b s ALA 316 N 2.22 -1.77 -0.14 3.13 0.00 -0.69 -4.52 121.76 119.99 1u4b s ALA 316 Ca -0.03 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1u4b s ALA 316 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1u4b s ALA 316 CO -0.11 -0.53 0.45 0.00 0.00 0.00 0.00 175.76 175.57 1u4b s ALA 317 N -2.23 3.51 -0.04 0.00 0.00 0.30 -0.84 121.76 122.46 1u4b s ALA 317 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1u4b s ALA 317 Cb -0.01 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1u4b s ALA 317 CO -0.01 -0.08 -0.21 -1.17 0.00 0.00 0.00 175.76 174.29 1u4b s LEU 318 N 0.82 1.99 -0.14 0.00 2.96 0.08 -1.44 118.68 122.94 1u4b s LEU 318 Ca 0.24 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1u4b s LEU 318 Cb -0.15 -1.14 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1u4b s LEU 318 CO 0.09 0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.51 1u4b s VAL 319 N -0.14 1.47 -0.46 1.68 1.01 -0.04 -4.47 120.40 119.45 1u4b s VAL 319 Ca -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1u4b s VAL 319 Cb -0.12 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 35.00 1u4b s VAL 319 CO 0.02 0.44 0.20 -0.69 0.00 0.00 0.00 175.10 175.07 1u4b s VAL 320 N 1.51 2.30 -0.08 2.92 1.01 -1.26 -1.16 120.40 125.64 1u4b s VAL 320 Ca 0.05 -2.93 -0.30 0.00 0.00 0.00 0.00 61.98 58.80 1u4b s VAL 320 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1u4b s VAL 320 CO -0.10 -0.76 1.23 -0.70 0.00 0.00 0.00 175.10 174.77 1u4b s GLU 321 N 0.14 4.31 -0.25 2.72 2.56 -0.47 -4.65 118.70 123.06 1u4b s GLU 321 Ca 0.15 1.69 0.01 0.00 0.00 0.00 0.00 54.97 56.82 1u4b s GLU 321 Cb -0.24 -3.62 0.07 0.00 2.00 0.00 0.00 34.13 32.34 1u4b s GLU 321 CO -0.03 -0.53 -0.02 0.08 -0.56 0.00 0.00 175.26 174.20 1u4b s VAL 322 N 2.59 1.47 0.09 3.70 1.01 -1.26 -0.96 120.40 127.05 1u4b s VAL 322 Ca 0.56 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1u4b s VAL 322 Cb -0.24 -1.82 -0.25 0.00 0.00 0.00 0.00 36.38 34.07 1u4b s VAL 322 CO 0.20 -0.21 1.20 0.58 0.00 0.00 0.00 175.10 176.87 1u4b h VAL 323 N 6.64 1.51 -2.59 2.92 2.07 -1.96 -3.45 116.25 121.39 1u4b h VAL 323 Ca -0.16 -3.00 -0.53 0.00 0.82 0.00 0.00 66.70 63.83 1u4b h VAL 323 Cb 1.06 2.84 0.06 0.00 -1.52 0.00 0.00 31.29 33.73 1u4b h VAL 323 CO 0.42 0.87 0.99 -0.62 0.02 0.00 0.00 177.57 179.26 1u4b n GLU 324 N -3.55 2.70 -0.22 1.57 -0.58 -1.26 -4.87 120.64 114.43 1u4b n GLU 324 Ca -0.07 0.98 -0.00 0.00 -0.42 0.00 0.00 57.16 57.65 1u4b n GLU 324 Cb 0.97 -2.82 0.11 0.00 -0.57 0.00 0.00 31.44 29.14 1u4b n GLU 324 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u4b h GLU 325 N 6.79 0.54 -5.42 3.49 5.08 -2.03 -3.31 114.58 119.72 1u4b h GLU 325 Ca -0.43 -0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.24 1u4b h GLU 325 Cb 1.21 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.19 1u4b h GLU 325 CO 0.95 0.36 0.24 1.21 -1.00 0.00 0.00 179.01 180.77 1u4b s ASN 326 N -5.49 6.30 0.00 1.42 3.84 -1.26 -4.93 114.94 114.83 1u4b s ASN 326 Ca -0.13 -0.52 0.28 0.00 0.21 0.00 0.00 52.86 52.71 1u4b s ASN 326 Cb 0.17 -2.35 1.58 0.00 -0.55 0.00 0.00 41.25 40.10 1u4b s ASN 326 CO 0.75 -0.95 2.03 0.00 -2.79 0.00 0.00 177.10 176.14 1u4b n TYR 327 N 6.60 0.01 -2.05 0.43 0.18 -1.25 -4.72 117.16 116.36 1u4b n TYR 327 Ca -0.02 -0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 1u4b n TYR 327 Cb 0.47 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 1u4b n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1u4b s HIS 328 N -1.99 2.11 -1.41 -3.48 3.76 -1.26 -2.30 115.29 110.71 1u4b s HIS 328 Ca 0.42 0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1u4b s HIS 328 Cb 0.20 -3.87 0.02 0.00 1.11 0.00 0.00 32.58 30.03 1u4b s HIS 328 CO 0.33 -3.60 0.29 -3.47 -0.85 0.00 0.00 174.74 167.43 1u4b n ASP 329 N 6.95 -4.98 -4.93 1.40 4.64 -1.26 -4.96 116.55 113.41 1u4b n ASP 329 Ca 0.17 -0.12 -0.26 0.00 -1.38 0.00 0.00 54.79 53.20 1u4b n ASP 329 Cb 0.43 -4.11 -0.02 0.00 -1.04 0.00 0.00 41.12 36.37 1u4b n ASP 329 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u4b s ALA 330 N -2.95 3.75 0.44 -1.67 0.00 -0.98 -5.08 121.76 115.29 1u4b s ALA 330 Ca 0.18 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 1u4b s ALA 330 Cb -0.09 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 1u4b s ALA 330 CO 0.22 0.23 1.19 -2.14 0.00 0.00 0.00 175.76 175.26 1u4b s PRO 331 N -3.74 3.82 -0.33 0.00 0.02 -1.26 -4.95 135.00 128.56 1u4b s PRO 331 Ca 0.40 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 1u4b s PRO 331 Cb -0.10 -2.50 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 1u4b s PRO 331 CO 0.31 -0.52 0.18 0.42 -0.33 0.00 0.00 177.00 177.06 1u4b s ILE 332 N -1.48 4.75 -0.46 2.83 1.01 -1.26 -4.41 121.20 122.19 1u4b s ILE 332 Ca 0.62 -0.43 0.23 0.00 0.00 0.00 0.00 60.65 61.07 1u4b s ILE 332 Cb -0.30 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 38.81 1u4b s ILE 332 CO 0.38 0.01 1.31 -0.37 0.00 0.00 0.00 174.94 176.26 1u4b h VAL 333 N 5.65 0.00 -1.33 2.92 -1.51 -1.44 -3.44 116.25 117.10 1u4b h VAL 333 Ca -0.31 -0.77 0.29 0.00 -1.23 0.00 0.00 66.70 64.67 1u4b h VAL 333 Cb 1.14 1.43 -0.19 0.00 -2.13 0.00 0.00 31.29 31.55 1u4b h VAL 333 CO 0.63 0.00 0.87 -0.83 -1.23 0.00 0.00 177.57 177.01 1u4b s GLY 334 N -4.02 -0.28 -0.01 5.19 0.00 -1.25 -4.65 107.32 102.30 1u4b s GLY 334 Ca 0.04 1.63 0.02 0.00 0.00 0.00 0.00 44.72 46.42 1u4b s GLY 334 CO 0.73 0.53 -0.08 -0.42 0.00 0.00 0.00 173.10 173.86 1u4b s ILE 335 N -2.29 0.67 0.01 0.90 1.01 -0.75 -1.37 121.20 119.38 1u4b s ILE 335 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1u4b s ILE 335 Cb -0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1u4b s ILE 335 CO -0.04 0.20 -0.11 0.00 0.00 0.00 0.00 174.94 174.99 1u4b s ALA 336 N -0.05 0.88 -0.03 9.38 0.00 -0.31 -0.43 121.76 131.20 1u4b s ALA 336 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1u4b s ALA 336 Cb -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1u4b s ALA 336 CO -0.00 0.19 -0.03 0.08 0.00 0.00 0.00 175.76 175.99 1u4b s VAL 337 N -0.48 0.40 -0.09 0.00 1.01 -0.21 -0.86 120.40 120.17 1u4b s VAL 337 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1u4b s VAL 337 Cb -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1u4b s VAL 337 CO 0.00 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.49 1u4b s VAL 338 N 0.80 1.13 0.01 2.92 1.01 -0.52 -0.20 120.40 125.54 1u4b s VAL 338 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1u4b s VAL 338 Cb -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1u4b s VAL 338 CO -0.00 0.37 0.01 -0.46 0.00 0.00 0.00 175.10 175.01 1u4b n ASN 339 N 4.28 -0.03 0.24 3.32 0.23 -0.58 -0.54 115.26 122.18 1u4b n ASN 339 Ca -0.19 -1.05 0.17 0.00 -0.53 0.00 0.00 54.58 52.98 1u4b n ASN 339 Cb 0.51 0.05 0.86 0.00 -2.08 0.00 0.00 39.78 39.13 1u4b n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1u4b h GLU 340 N 0.00 0.00 0.00 -3.83 4.11 -1.94 -2.11 114.58 110.81 1u4b h GLU 340 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1u4b h GLU 340 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u4b h GLU 340 CO 0.01 0.00 -0.48 0.72 0.07 0.00 0.00 179.01 179.32 1u4b n HIS 341 N -3.76 0.38 -0.60 2.06 8.25 -1.26 -5.06 115.22 115.23 1u4b n HIS 341 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1u4b n HIS 341 Cb 0.26 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1u4b n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u4b n GLY 342 N 1.40 0.71 3.33 -1.41 0.00 -0.80 -5.09 105.19 103.33 1u4b n GLY 342 Ca 0.04 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1u4b n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4b s ARG 343 N -2.00 2.73 0.03 1.61 0.52 -1.26 -1.53 118.95 119.06 1u4b s ARG 343 Ca 0.00 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1u4b s ARG 343 Cb 0.00 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 1u4b s ARG 343 CO 0.00 0.39 -0.07 -0.06 0.02 0.00 0.00 175.30 175.57 1u4b s PHE 344 N -0.15 0.65 -0.09 -0.53 0.40 0.71 -1.03 117.98 117.94 1u4b s PHE 344 Ca -0.03 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1u4b s PHE 344 Cb -0.14 -0.39 0.00 0.00 0.51 0.00 0.00 43.02 43.00 1u4b s PHE 344 CO 0.04 -0.07 -0.21 0.12 0.70 0.00 0.00 175.22 175.80 1u4b s PHE 345 N -1.13 2.28 -0.03 0.36 5.36 -0.13 -1.05 117.98 123.64 1u4b s PHE 345 Ca -0.07 -0.91 0.06 0.00 -0.96 0.00 0.00 56.93 55.04 1u4b s PHE 345 Cb -0.08 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 41.04 1u4b s PHE 345 CO 0.00 -0.38 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.68 1u4b s LEU 346 N 0.40 2.01 0.22 6.12 1.43 0.43 -1.62 118.68 127.68 1u4b s LEU 346 Ca -0.17 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1u4b s LEU 346 Cb -0.17 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 44.90 1u4b s LEU 346 CO 0.08 0.23 1.06 -0.13 0.23 0.00 0.00 176.35 177.82 1u4b s ARG 347 N -0.33 4.66 0.25 1.70 0.52 -1.26 -1.80 118.95 122.69 1u4b s ARG 347 Ca 0.04 1.70 -0.03 0.00 -0.52 0.00 0.00 55.73 56.92 1u4b s ARG 347 Cb -0.09 -3.25 0.43 0.00 0.52 0.00 0.00 34.95 32.55 1u4b s ARG 347 CO 0.00 0.21 1.81 -1.00 0.02 0.00 0.00 175.30 176.35 1u4b h PRO 348 N 4.48 0.80 -0.94 3.54 0.13 -1.84 -1.43 132.00 136.73 1u4b h PRO 348 Ca -0.45 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1u4b h PRO 348 Cb 1.21 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 1u4b h PRO 348 CO 0.70 0.53 0.61 0.93 -0.23 0.00 0.00 178.00 180.53 1u4b h GLU 349 N 0.82 1.02 0.32 0.86 3.07 -1.92 -0.68 114.58 118.07 1u4b h GLU 349 Ca 0.42 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1u4b h GLU 349 Cb 0.39 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1u4b h GLU 349 CO -0.25 0.68 -0.15 1.15 -1.40 0.00 0.00 179.01 179.03 1u4b h THR 350 N 1.05 0.21 0.04 1.13 2.02 -1.73 -3.22 112.91 112.41 1u4b h THR 350 Ca 0.41 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1u4b h THR 350 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1u4b h THR 350 CO -0.16 0.05 -0.02 0.00 0.37 0.00 0.00 175.52 175.76 1u4b h ALA 351 N -0.93 -0.05 0.00 6.16 0.00 -1.23 -2.53 119.26 120.68 1u4b h ALA 351 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u4b h ALA 351 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u4b h ALA 351 CO 0.07 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1u4b n LEU 352 N -5.08 0.00 -0.03 0.00 4.77 -0.27 -1.60 117.00 114.80 1u4b n LEU 352 Ca -0.08 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1u4b n LEU 352 Cb 0.08 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1u4b n LEU 352 CO 0.33 -0.23 -0.02 0.00 -1.33 0.00 0.00 177.39 176.15 1u4b n ALA 353 N -1.41 4.12 -2.63 -1.18 0.00 -1.10 -4.92 120.51 113.39 1u4b n ALA 353 Ca 0.05 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1u4b n ALA 353 Cb 0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1u4b n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u4b s ASP 354 N -2.54 6.77 0.32 0.00 2.15 -0.62 -4.95 116.67 117.79 1u4b s ASP 354 Ca 0.07 0.86 0.05 0.00 0.43 0.00 0.00 52.55 53.96 1u4b s ASP 354 Cb 0.13 -2.44 0.67 0.00 -0.30 0.00 0.00 42.92 40.98 1u4b s ASP 354 CO 0.67 -0.63 1.86 -0.65 -0.17 0.00 0.00 175.17 176.25 1u4b h PRO 355 N 7.95 0.84 -0.38 4.34 0.11 -1.91 -1.46 132.00 141.49 1u4b h PRO 355 Ca -0.23 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1u4b h PRO 355 Cb 1.09 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1u4b h PRO 355 CO 0.91 0.55 -0.19 1.96 -0.21 0.00 0.00 178.00 181.02 1u4b h GLN 356 N 0.86 0.80 -0.42 1.05 7.50 -1.93 -1.65 115.11 121.32 1u4b h GLN 356 Ca 0.46 -0.35 -0.09 0.00 0.50 0.00 0.00 58.65 59.17 1u4b h GLN 356 Cb 0.56 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1u4b h GLN 356 CO -0.23 0.98 -0.09 0.35 -1.50 0.00 0.00 178.83 178.34 1u4b h PHE 357 N 0.60 0.90 -0.74 2.96 3.57 -1.71 -1.20 116.94 121.32 1u4b h PHE 357 Ca 0.08 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1u4b h PHE 357 Cb 0.74 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1u4b h PHE 357 CO 0.06 0.91 0.29 0.28 -2.23 0.00 0.00 178.31 177.62 1u4b h VAL 358 N 0.63 1.25 -0.66 1.41 2.07 -1.26 -0.50 116.25 119.19 1u4b h VAL 358 Ca 0.11 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1u4b h VAL 358 Cb 0.62 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1u4b h VAL 358 CO 0.04 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.09 1u4b h ALA 359 N 1.14 0.97 -0.43 1.67 0.00 -1.15 -2.20 119.26 119.27 1u4b h ALA 359 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u4b h ALA 359 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u4b h ALA 359 CO -0.02 0.65 0.21 2.35 0.00 0.00 0.00 179.25 182.44 1u4b h TRP 360 N 1.01 0.61 -0.95 0.00 7.01 -0.68 -1.36 115.95 121.58 1u4b h TRP 360 Ca 0.21 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.24 1u4b h TRP 360 Cb 0.40 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.21 1u4b h TRP 360 CO 0.03 0.49 0.61 -0.07 -2.79 0.00 0.00 178.44 176.71 1u4b h LEU 361 N 0.55 0.98 -0.52 0.65 3.38 -0.80 -2.30 115.31 117.24 1u4b h LEU 361 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u4b h LEU 361 Cb 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1u4b h LEU 361 CO -0.02 0.63 -0.07 0.61 0.09 0.00 0.00 178.44 179.68 1u4b n GLY 362 N -1.35 -0.53 3.59 0.83 0.00 -0.85 -0.81 105.19 106.06 1u4b n GLY 362 Ca 0.14 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1u4b n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u4b s ASP 363 N -2.21 6.61 0.63 1.61 -1.08 -0.55 -4.52 116.67 117.16 1u4b s ASP 363 Ca 0.35 0.41 0.40 0.00 -0.52 0.00 0.00 52.55 53.18 1u4b s ASP 363 Cb 0.21 -2.48 2.11 0.00 -1.46 0.00 0.00 42.92 41.30 1u4b s ASP 363 CO 0.41 -1.01 2.27 -0.08 0.52 0.00 0.00 175.17 177.29 1u4b h GLU 364 N 8.83 0.00 0.00 4.34 4.22 -1.87 -1.68 114.58 128.42 1u4b h GLU 364 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1u4b h GLU 364 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u4b h GLU 364 CO 1.03 0.01 -0.23 0.25 -2.18 0.00 0.00 179.01 177.89 1u4b n THR 365 N -3.23 0.17 -3.30 0.32 -2.24 -1.26 -4.27 114.28 100.47 1u4b n THR 365 Ca -0.02 -0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 1u4b n THR 365 Cb 0.12 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1u4b n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u4b s LYS 366 N -3.05 3.04 0.11 -0.78 -0.14 -0.63 -4.91 119.74 113.39 1u4b s LYS 366 Ca 0.11 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 1u4b s LYS 366 Cb 0.16 -4.09 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 1u4b s LYS 366 CO 0.62 -1.05 0.90 0.15 -0.76 0.00 0.00 175.35 175.20 1u4b s LYS 367 N 2.05 4.66 0.00 1.68 -0.14 -0.53 -4.51 119.74 122.96 1u4b s LYS 367 Ca 0.09 1.35 0.06 0.00 -1.36 0.00 0.00 55.97 56.11 1u4b s LYS 367 Cb -0.21 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.57 1u4b s LYS 367 CO 0.10 0.29 -0.20 0.15 -0.76 0.00 0.00 175.35 174.93 1u4b s LYS 368 N -0.23 1.49 -0.15 1.68 3.01 0.03 -1.70 119.74 123.87 1u4b s LYS 368 Ca 0.44 -0.77 -0.02 0.00 -1.01 0.00 0.00 55.97 54.60 1u4b s LYS 368 Cb -0.23 -1.49 -0.02 0.00 -1.01 0.00 0.00 37.83 35.07 1u4b s LYS 368 CO 0.28 0.40 -0.07 -1.12 0.51 0.00 0.00 175.35 175.35 1u4b s SER 369 N -0.69 4.49 0.30 2.83 0.01 -0.02 -1.21 113.70 119.42 1u4b s SER 369 Ca 0.07 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.18 1u4b s SER 369 Cb -0.08 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 1u4b s SER 369 CO 0.00 0.16 0.29 0.23 0.41 0.00 0.00 173.24 174.34 1u4b n MET 370 N 3.55 0.42 -3.91 12.44 2.81 0.11 -0.75 117.12 131.79 1u4b n MET 370 Ca -0.18 -2.93 -0.28 0.00 -1.81 0.00 0.00 57.70 52.50 1u4b n MET 370 Cb 0.53 2.47 -0.17 0.00 -0.71 0.00 0.00 33.22 35.34 1u4b n MET 370 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1u4b s PHE 371 N -3.20 1.69 -0.84 2.03 5.36 -1.26 0.16 117.98 121.93 1u4b s PHE 371 Ca 0.34 -0.99 -0.04 0.00 -0.96 0.00 0.00 56.93 55.28 1u4b s PHE 371 Cb 0.01 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.32 1u4b s PHE 371 CO 0.24 -0.59 0.75 -3.47 -1.46 0.00 0.00 175.22 170.69 1u4b n ASP 372 N 4.88 -6.11 0.26 6.13 2.03 -1.26 -4.91 116.55 117.57 1u4b n ASP 372 Ca -0.13 -0.51 0.11 0.00 0.52 0.00 0.00 54.79 54.79 1u4b n ASP 372 Cb 0.49 -4.52 0.69 0.00 -0.72 0.00 0.00 41.12 37.05 1u4b n ASP 372 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1u4b h SER 373 N -0.69 0.00 -0.77 1.67 4.64 -1.95 -2.70 113.55 113.76 1u4b h SER 373 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1u4b h SER 373 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1u4b h SER 373 CO 0.35 0.13 0.38 0.50 -0.87 0.00 0.00 176.83 177.33 1u4b h LYS 374 N 0.00 1.10 -0.32 4.77 3.64 -1.91 0.19 116.57 124.03 1u4b h LYS 374 Ca -0.00 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1u4b h LYS 374 Cb 0.34 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1u4b h LYS 374 CO 0.02 0.84 0.14 -0.09 -2.27 0.00 0.00 179.45 178.10 1u4b h ARG 375 N 1.08 0.30 -0.38 1.90 2.43 -1.85 0.31 114.38 118.16 1u4b h ARG 375 Ca 0.27 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1u4b h ARG 375 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1u4b h ARG 375 CO -0.04 0.20 -0.05 0.00 -1.51 0.00 0.00 179.97 178.57 1u4b h ALA 376 N 1.18 0.51 -0.48 2.80 0.00 -1.49 -1.70 119.26 120.09 1u4b h ALA 376 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1u4b h ALA 376 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1u4b h ALA 376 CO -0.11 0.34 0.31 0.00 0.00 0.00 0.00 179.25 179.78 1u4b h ALA 377 N 0.85 0.60 -0.26 0.00 0.00 -0.31 -0.58 119.26 119.57 1u4b h ALA 377 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1u4b h ALA 377 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u4b h ALA 377 CO 0.03 0.04 -0.22 0.28 0.00 0.00 0.00 179.25 179.38 1u4b h VAL 378 N 0.64 1.31 -0.78 0.00 2.07 -0.91 -0.38 116.25 118.20 1u4b h VAL 378 Ca 0.18 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1u4b h VAL 378 Cb -0.07 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1u4b h VAL 378 CO -0.04 0.43 0.51 0.00 0.02 0.00 0.00 177.57 178.49 1u4b h ALA 379 N 0.69 1.56 -0.06 1.67 0.00 -1.13 -1.45 119.26 120.54 1u4b h ALA 379 Ca 0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1u4b h ALA 379 Cb 0.77 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1u4b h ALA 379 CO 0.06 0.35 -0.74 -0.07 0.00 0.00 0.00 179.25 178.84 1u4b h LEU 380 N 0.92 0.44 -0.97 0.00 3.38 -0.91 -3.11 115.31 115.06 1u4b h LEU 380 Ca 0.31 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1u4b h LEU 380 Cb 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1u4b h LEU 380 CO -0.10 1.03 0.64 0.11 0.09 0.00 0.00 178.44 180.22 1u4b h LYS 381 N 0.25 1.25 0.00 1.13 1.57 -0.05 0.92 116.57 121.64 1u4b h LYS 381 Ca -0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1u4b h LYS 381 Cb 1.32 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1u4b h LYS 381 CO 0.12 0.83 0.00 -1.49 -0.57 0.00 0.00 179.45 178.34 1u4b h TRP 382 N 1.29 0.00 -0.35 -1.35 4.06 -1.30 -0.82 115.95 117.47 1u4b h TRP 382 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 1u4b h TRP 382 Cb -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1u4b h TRP 382 CO -0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51 1u4b n LYS 383 N -2.52 2.33 -1.52 0.49 5.02 0.13 -4.96 118.16 117.13 1u4b n LYS 383 Ca 0.00 -2.14 -0.07 0.00 -2.02 0.00 0.00 58.31 54.08 1u4b n LYS 383 Cb 0.16 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1u4b n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u4b n GLY 384 N 1.26 0.62 3.42 0.72 0.00 -0.31 -5.03 105.19 105.86 1u4b n GLY 384 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1u4b n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u4b s ILE 385 N -2.28 3.04 -0.16 -0.61 1.01 -0.08 -5.00 121.20 117.12 1u4b s ILE 385 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 1u4b s ILE 385 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 1u4b s ILE 385 CO 0.00 0.55 0.23 -0.70 0.00 0.00 0.00 174.94 175.02 1u4b s GLU 386 N -0.13 4.10 -0.23 2.79 2.12 -1.26 -3.29 118.70 122.79 1u4b s GLU 386 Ca -0.01 -0.02 -0.06 0.00 0.36 0.00 0.00 54.97 55.24 1u4b s GLU 386 Cb -0.14 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1u4b s GLU 386 CO 0.03 0.37 0.04 -1.17 -0.54 0.00 0.00 175.26 173.99 1u4b s LEU 387 N 0.11 3.32 0.30 2.70 2.96 -1.26 -2.90 118.68 123.92 1u4b s LEU 387 Ca 0.14 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1u4b s LEU 387 Cb -0.12 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1u4b s LEU 387 CO 0.03 -0.01 0.08 0.00 -1.32 0.00 0.00 176.35 175.13 1u4b n GLY 389 N -0.59 0.69 3.59 0.00 0.00 -1.26 -4.67 105.19 102.95 1u4b n GLY 389 Ca -0.01 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1u4b n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u4b s VAL 390 N -2.10 3.96 -0.61 1.61 1.01 -1.26 -0.79 120.40 122.22 1u4b s VAL 390 Ca 0.00 0.94 0.22 0.00 0.00 0.00 0.00 61.98 63.14 1u4b s VAL 390 Cb 0.00 -4.37 -0.20 0.00 0.00 0.00 0.00 36.38 31.81 1u4b s VAL 390 CO 0.00 -0.93 0.87 -1.54 0.00 0.00 0.00 175.10 173.50 1u4b n SER 391 N 8.73 0.59 -3.70 3.32 3.41 -0.35 -4.91 113.62 120.72 1u4b n SER 391 Ca 0.14 -0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 1u4b n SER 391 Cb 0.49 1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 65.44 1u4b n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1u4b s PHE 392 N -3.20 -0.51 -0.27 7.33 5.36 -1.21 -4.98 117.98 120.49 1u4b s PHE 392 Ca 0.03 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.14 1u4b s PHE 392 Cb 0.15 0.16 0.07 0.00 -0.34 0.00 0.00 43.02 43.06 1u4b s PHE 392 CO 0.85 -0.33 -0.08 0.34 -1.46 0.00 0.00 175.22 174.54 1u4b s ASP 393 N 1.63 4.42 0.44 6.13 -1.08 -1.26 -0.72 116.67 126.24 1u4b s ASP 393 Ca -0.07 -1.49 0.10 0.00 -0.52 0.00 0.00 52.55 50.56 1u4b s ASP 393 Cb -0.10 -1.51 0.98 0.00 -1.46 0.00 0.00 42.92 40.83 1u4b s ASP 393 CO -0.11 -0.23 2.07 0.25 0.52 0.00 0.00 175.17 177.68 1u4b h LEU 394 N 7.77 0.34 -0.06 -1.34 5.85 -0.66 -1.25 115.31 125.97 1u4b h LEU 394 Ca -0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1u4b h LEU 394 Cb 1.04 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1u4b h LEU 394 CO 0.46 0.25 0.02 0.25 -0.34 0.00 0.00 178.44 179.08 1u4b h LEU 395 N 0.40 0.09 -0.83 2.25 5.85 -1.91 -0.50 115.31 120.67 1u4b h LEU 395 Ca 0.13 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1u4b h LEU 395 Cb 0.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1u4b h LEU 395 CO -0.03 0.24 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.06 1u4b h LEU 396 N -0.07 0.68 -0.28 2.25 3.38 -1.85 -1.24 115.31 118.18 1u4b h LEU 396 Ca 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1u4b h LEU 396 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1u4b h LEU 396 CO -0.00 0.87 0.13 0.00 0.09 0.00 0.00 178.44 179.52 1u4b h ALA 397 N 1.19 0.36 -0.59 1.53 0.00 -1.08 -1.36 119.26 119.31 1u4b h ALA 397 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u4b h ALA 397 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1u4b h ALA 397 CO 0.05 -0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.45 1u4b h ALA 398 N 0.99 0.77 -0.62 0.00 0.00 -0.92 -2.03 119.26 117.44 1u4b h ALA 398 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u4b h ALA 398 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1u4b h ALA 398 CO -0.01 0.39 0.36 -0.92 0.00 0.00 0.00 179.25 179.07 1u4b h TYR 399 N 0.82 0.68 -0.42 0.00 3.20 -1.00 -1.65 116.97 118.60 1u4b h TYR 399 Ca 0.20 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 1u4b h TYR 399 Cb 0.22 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1u4b h TYR 399 CO 0.01 0.36 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.60 1u4b h LEU 400 N 0.70 0.86 -0.94 2.82 3.38 -1.02 -2.19 115.31 118.92 1u4b h LEU 400 Ca 0.26 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1u4b h LEU 400 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1u4b h LEU 400 CO -0.14 1.05 -0.06 -0.07 0.09 0.00 0.00 178.44 179.31 1u4b h LEU 401 N 0.73 0.69 -5.83 1.67 3.38 -0.89 -3.41 115.31 111.65 1u4b h LEU 401 Ca 0.10 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1u4b h LEU 401 Cb 0.75 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.13 1u4b h LEU 401 CO 0.06 0.79 -0.23 -0.62 0.09 0.00 0.00 178.44 178.53 1u4b s ASP 402 N -6.69 -0.97 0.61 -0.43 2.15 -0.66 -5.00 116.67 105.68 1u4b s ASP 402 Ca -0.09 -0.15 0.39 0.00 0.43 0.00 0.00 52.55 53.13 1u4b s ASP 402 Cb 0.14 1.44 2.00 0.00 -0.30 0.00 0.00 42.92 46.20 1u4b s ASP 402 CO 0.80 -0.15 2.23 1.55 -0.17 0.00 0.00 175.17 179.44 1u4b h PRO 403 N 6.99 0.00 0.00 4.34 0.13 -1.62 -2.65 132.00 139.20 1u4b h PRO 403 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1u4b h PRO 403 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1u4b h PRO 403 CO 0.02 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 1u4b h ALA 404 N 1.98 1.00 0.00 -0.56 0.00 -1.93 -3.09 119.26 116.66 1u4b h ALA 404 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u4b h ALA 404 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u4b h ALA 404 CO 0.00 0.00 -0.08 0.37 0.00 0.00 0.00 179.25 179.54 1u4b h GLN 405 N 0.00 0.00 -2.48 0.00 5.75 -1.86 -3.46 115.11 113.06 1u4b h GLN 405 Ca 0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.21 1u4b h GLN 405 Cb 0.62 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.18 1u4b h GLN 405 CO 0.00 0.08 -0.39 0.41 -2.65 0.00 0.00 178.83 176.28 1u4b n GLY 406 N -0.27 -0.20 3.68 2.39 0.00 -1.17 -4.91 105.19 104.70 1u4b n GLY 406 Ca -0.01 -0.23 -0.47 0.00 0.00 0.00 0.00 46.02 45.31 1u4b n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u4b n VAL 407 N -4.05 0.54 -0.24 1.61 0.31 -1.26 -4.82 118.33 110.41 1u4b n VAL 407 Ca -0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1u4b n VAL 407 Cb 0.61 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1u4b n VAL 407 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u4b n ASP 408 N 6.39 0.35 -3.87 4.52 5.75 -1.26 -4.96 116.55 123.48 1u4b n ASP 408 Ca 0.22 -0.72 -0.09 0.00 -0.01 0.00 0.00 54.79 54.19 1u4b n ASP 408 Cb 0.31 0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 1u4b n ASP 408 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1u4b s ASP 409 N -0.24 -0.16 0.24 -1.12 3.84 -1.26 -5.04 116.67 112.93 1u4b s ASP 409 Ca 0.00 -0.70 -0.05 0.00 -0.00 0.00 0.00 52.55 51.80 1u4b s ASP 409 Cb 0.00 0.57 0.35 0.00 -1.38 0.00 0.00 42.92 42.46 1u4b s ASP 409 CO 0.00 -1.08 1.84 0.58 -0.00 0.00 0.00 175.17 176.51 1u4b h VAL 410 N 2.25 1.01 -0.95 2.11 2.07 -1.98 -2.25 116.25 118.51 1u4b h VAL 410 Ca -0.27 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1u4b h VAL 410 Cb 1.25 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1u4b h VAL 410 CO 0.37 0.17 0.62 0.00 0.02 0.00 0.00 177.57 178.75 1u4b h ALA 411 N 1.42 1.43 -0.52 1.67 0.00 -1.87 0.36 119.26 121.74 1u4b h ALA 411 Ca 0.38 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1u4b h ALA 411 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u4b h ALA 411 CO -0.19 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 1u4b h ALA 412 N 1.47 0.78 -0.31 0.00 0.00 -1.80 -0.75 119.26 118.65 1u4b h ALA 412 Ca 0.39 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1u4b h ALA 412 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u4b h ALA 412 CO -0.14 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 1u4b h ALA 413 N 0.95 0.43 -0.70 0.00 0.00 -1.12 -3.13 119.26 115.69 1u4b h ALA 413 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1u4b h ALA 413 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1u4b h ALA 413 CO 0.05 0.34 0.33 0.00 0.00 0.00 0.00 179.25 179.97 1u4b h ALA 414 N 0.76 1.27 0.00 0.00 0.00 -0.78 -1.85 119.26 118.65 1u4b h ALA 414 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u4b h ALA 414 Cb 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1u4b h ALA 414 CO 0.05 0.57 -0.01 -0.22 0.00 0.00 0.00 179.25 179.63 1u4b h LYS 415 N 1.00 0.00 0.00 0.00 3.64 -1.04 -0.64 116.57 119.52 1u4b h LYS 415 Ca 0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1u4b h LYS 415 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1u4b h LYS 415 CO -0.03 0.01 -0.10 0.52 -2.27 0.00 0.00 179.45 177.58 1u4b h MET 416 N 0.00 0.00 -0.35 1.90 2.86 -1.35 -2.17 114.93 115.81 1u4b h MET 416 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1u4b h MET 416 Cb 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.62 1u4b h MET 416 CO 0.00 0.10 -0.02 1.63 1.06 0.00 0.00 176.91 179.68 1u4b n LYS 417 N -4.13 2.14 -2.79 1.72 4.76 -0.33 -4.95 118.16 114.57 1u4b n LYS 417 Ca -0.03 -3.07 -0.21 0.00 -2.87 0.00 0.00 58.31 52.13 1u4b n LYS 417 Cb 0.18 -1.84 0.01 0.00 -1.84 0.00 0.00 35.03 31.55 1u4b n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1u4b n GLN 418 N -0.97 -3.38 -3.78 1.97 1.13 -0.82 -4.97 117.38 106.57 1u4b n GLN 418 Ca 0.31 0.85 -0.36 0.00 -1.94 0.00 0.00 57.00 55.85 1u4b n GLN 418 Cb 1.02 -5.60 -0.13 0.00 0.11 0.00 0.00 30.24 25.64 1u4b n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1u4b s TYR 419 N -3.03 3.08 -0.08 1.08 5.04 -0.70 -4.97 117.35 117.77 1u4b s TYR 419 Ca 0.18 -0.63 0.11 0.00 -2.44 0.00 0.00 57.07 54.30 1u4b s TYR 419 Cb -0.08 -2.22 0.17 0.00 0.35 0.00 0.00 41.96 40.17 1u4b s TYR 419 CO 0.22 -0.44 1.07 0.39 -1.34 0.00 0.00 175.55 175.46 1u4b n GLU 420 N 4.89 0.92 -0.92 4.97 1.02 -1.26 -3.02 120.64 127.24 1u4b n GLU 420 Ca -0.16 -1.94 -0.15 0.00 -0.02 0.00 0.00 57.16 54.90 1u4b n GLU 420 Cb 0.51 -1.11 -0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1u4b n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u4b n ALA 421 N -0.87 5.22 -3.51 0.62 0.00 -1.26 -4.76 120.51 115.95 1u4b n ALA 421 Ca 0.09 -1.57 -0.14 0.00 0.00 0.00 0.00 53.44 51.82 1u4b n ALA 421 Cb 0.63 -1.50 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1u4b n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u4b s VAL 422 N -1.56 0.00 0.30 0.00 0.11 -1.26 -4.89 120.40 113.09 1u4b s VAL 422 Ca 0.32 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.27 1u4b s VAL 422 Cb 0.22 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 1u4b s VAL 422 CO -0.04 -0.01 0.61 -0.13 -3.33 0.00 0.00 175.10 172.20 1u4b s ARG 423 N 0.13 3.75 0.50 1.54 0.52 -1.26 -4.80 118.95 119.33 1u4b s ARG 423 Ca -0.01 0.25 -0.21 0.00 -0.52 0.00 0.00 55.73 55.23 1u4b s ARG 423 Cb -0.04 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1u4b s ARG 423 CO 0.02 0.19 1.16 -2.14 0.02 0.00 0.00 175.30 174.55 1u4b s PRO 424 N -3.32 3.54 0.29 3.54 0.02 -1.26 -4.51 135.00 133.30 1u4b s PRO 424 Ca 0.47 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 63.21 1u4b s PRO 424 Cb -0.11 -2.23 0.43 0.00 0.02 0.00 0.00 34.50 32.61 1u4b s PRO 424 CO 0.26 -0.73 1.94 -0.44 -0.33 0.00 0.00 177.00 177.71 1u4b h ASP 425 N 1.65 0.99 -0.67 2.53 3.32 -1.97 -1.98 116.42 120.29 1u4b h ASP 425 Ca -0.50 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.58 1u4b h ASP 425 Cb 1.26 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1u4b h ASP 425 CO 0.59 0.69 0.44 -0.08 -1.72 0.00 0.00 179.24 179.16 1u4b h GLU 426 N 1.15 0.74 -0.20 3.56 4.81 -1.91 0.17 114.58 122.90 1u4b h GLU 426 Ca 0.35 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1u4b h GLU 426 Cb -0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1u4b h GLU 426 CO -0.10 0.49 -0.30 0.00 -0.73 0.00 0.00 179.01 178.37 1u4b h ALA 427 N 1.62 1.11 0.12 2.92 0.00 -1.69 0.21 119.26 123.54 1u4b h ALA 427 Ca 0.27 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1u4b h ALA 427 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u4b h ALA 427 CO -0.08 0.56 -1.36 0.28 0.00 0.00 0.00 179.25 178.65 1u4b h VAL 428 N 0.35 1.07 0.00 0.00 2.07 -1.11 -3.39 116.25 115.24 1u4b h VAL 428 Ca 0.05 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1u4b h VAL 428 Cb 0.71 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1u4b h VAL 428 CO 0.05 0.70 -1.42 -1.22 0.02 0.00 0.00 177.57 175.71 1u4b n TYR 429 N -3.94 0.62 0.00 1.57 0.53 0.48 -4.64 117.16 111.78 1u4b n TYR 429 Ca -0.24 0.19 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 1u4b n TYR 429 Cb 0.89 -0.83 0.00 0.00 -1.03 0.00 0.00 39.34 38.38 1u4b n TYR 429 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u4b n GLY 430 N 1.25 0.39 0.00 2.72 0.00 0.73 -0.80 105.19 109.47 1u4b n GLY 430 Ca -0.03 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1u4b n GLY 430 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u4b n LYS 431 N 0.69 0.00 0.03 1.61 4.76 -1.26 -4.60 118.16 119.39 1u4b n LYS 431 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1u4b n LYS 431 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1u4b n LYS 431 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u4b n GLY 432 N 0.44 -0.05 0.25 0.72 0.00 -1.26 -4.49 105.19 100.79 1u4b n GLY 432 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1u4b n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4b h ALA 433 N 0.00 1.46 -0.56 4.61 0.00 -1.99 -1.34 119.26 121.44 1u4b h ALA 433 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u4b h ALA 433 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u4b h ALA 433 CO 0.00 0.38 0.00 1.63 0.00 0.00 0.00 179.25 181.26 1u4b n LYS 434 N -4.27 3.32 -2.45 0.00 5.02 -1.26 -4.95 118.16 113.56 1u4b n LYS 434 Ca -0.00 -2.44 -0.36 0.00 -2.02 0.00 0.00 58.31 53.49 1u4b n LYS 434 Cb 0.26 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1u4b n LYS 434 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u4b s ARG 435 N -1.79 3.93 0.00 1.97 3.52 -0.51 -4.53 118.95 121.55 1u4b s ARG 435 Ca 0.44 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1u4b s ARG 435 Cb 0.28 -2.38 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1u4b s ARG 435 CO 0.21 -0.35 0.00 0.00 -0.81 0.00 0.00 175.30 174.35 1u4b n ALA 436 N -0.44 0.00 -2.64 6.12 0.00 0.02 -4.99 120.51 118.57 1u4b n ALA 436 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1u4b n ALA 436 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1u4b n ALA 436 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u4b s VAL 437 N -2.00 4.80 1.17 0.00 1.01 -1.26 -4.47 120.40 119.64 1u4b s VAL 437 Ca 0.00 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 1u4b s VAL 437 Cb 0.00 -4.16 0.27 0.00 0.00 0.00 0.00 36.38 32.49 1u4b s VAL 437 CO 0.00 -0.11 1.06 -2.16 0.00 0.00 0.00 175.10 173.89 1u4b s PRO 438 N 2.93 -0.96 0.73 2.72 0.04 -1.26 -4.98 135.00 134.23 1u4b s PRO 438 Ca 0.37 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 1u4b s PRO 438 Cb -0.15 -1.60 0.04 0.00 0.04 0.00 0.00 34.50 32.84 1u4b s PRO 438 CO 0.07 -3.61 1.19 -0.51 0.04 0.00 0.00 177.00 174.18 1u4b s ASP 439 N -3.41 4.23 0.29 6.66 1.01 -1.26 -4.55 116.67 119.64 1u4b s ASP 439 Ca 0.68 2.29 0.01 0.00 0.71 0.00 0.00 52.55 56.24 1u4b s ASP 439 Cb -0.16 -2.58 0.69 0.00 1.01 0.00 0.00 42.92 41.88 1u4b s ASP 439 CO 0.58 -2.24 1.62 -0.08 0.21 0.00 0.00 175.17 175.26 1u4b h GLU 440 N -0.38 0.11 -0.49 8.23 4.81 -1.98 -0.32 114.58 124.56 1u4b h GLU 440 Ca -0.47 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1u4b h GLU 440 Cb 1.29 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1u4b h GLU 440 CO 0.50 0.07 0.21 -1.35 -0.73 0.00 0.00 179.01 177.70 1u4b h PRO 441 N 0.11 0.39 -0.23 0.92 0.11 -1.99 0.29 132.00 131.60 1u4b h PRO 441 Ca 0.55 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.51 1u4b h PRO 441 Cb 1.12 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1u4b h PRO 441 CO -0.75 0.26 -0.34 0.28 -0.21 0.00 0.00 178.00 177.24 1u4b h VAL 442 N 0.41 1.32 0.03 3.15 2.07 -1.56 -2.97 116.25 118.69 1u4b h VAL 442 Ca 0.23 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1u4b h VAL 442 Cb 0.20 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1u4b h VAL 442 CO -0.20 0.48 -0.01 0.25 0.02 0.00 0.00 177.57 178.10 1u4b h LEU 443 N 0.34 -0.03 -0.49 2.57 5.85 -0.78 -2.51 115.31 120.25 1u4b h LEU 443 Ca 0.02 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1u4b h LEU 443 Cb 0.92 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1u4b h LEU 443 CO 0.08 0.08 0.24 0.00 -0.34 0.00 0.00 178.44 178.50 1u4b h ALA 444 N 0.82 0.63 -0.74 1.25 0.00 -0.50 -1.10 119.26 119.62 1u4b h ALA 444 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u4b h ALA 444 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1u4b h ALA 444 CO 0.01 -0.11 0.26 1.49 0.00 0.00 0.00 179.25 180.89 1u4b h GLU 445 N 0.48 1.12 -0.16 0.00 4.81 -1.50 -1.42 114.58 117.90 1u4b h GLU 445 Ca 0.22 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1u4b h GLU 445 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1u4b h GLU 445 CO -0.16 0.93 0.06 1.25 -0.73 0.00 0.00 179.01 180.36 1u4b h HIS 446 N 1.08 0.25 -0.75 0.92 2.76 -0.96 0.14 115.15 118.59 1u4b h HIS 446 Ca 0.24 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1u4b h HIS 446 Cb 0.26 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1u4b h HIS 446 CO 0.02 0.34 0.30 -0.07 -1.30 0.00 0.00 177.93 177.23 1u4b h LEU 447 N 0.09 1.02 -0.51 0.26 3.38 -1.06 -0.93 115.31 117.56 1u4b h LEU 447 Ca 0.05 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1u4b h LEU 447 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1u4b h LEU 447 CO -0.00 0.90 -0.03 0.58 0.09 0.00 0.00 178.44 179.98 1u4b h VAL 448 N 1.09 1.27 -0.27 1.22 2.07 -1.11 -0.90 116.25 119.62 1u4b h VAL 448 Ca 0.25 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1u4b h VAL 448 Cb 0.20 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1u4b h VAL 448 CO -0.02 0.40 -0.09 0.03 0.02 0.00 0.00 177.57 177.91 1u4b h ARG 449 N 0.79 0.43 -0.28 1.57 3.08 -0.59 0.16 114.38 119.54 1u4b h ARG 449 Ca 0.14 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1u4b h ARG 449 Cb 0.57 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1u4b h ARG 449 CO 0.03 0.53 -0.30 0.87 -1.07 0.00 0.00 179.97 180.03 1u4b h LYS 450 N 0.41 0.69 -0.72 0.04 1.57 -0.85 -1.01 116.57 116.71 1u4b h LYS 450 Ca 0.08 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1u4b h LYS 450 Cb 0.41 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1u4b h LYS 450 CO 0.02 0.99 0.24 0.00 -0.57 0.00 0.00 179.45 180.14 1u4b h ALA 451 N 0.69 1.08 -0.69 3.86 0.00 -0.78 -1.33 119.26 122.09 1u4b h ALA 451 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1u4b h ALA 451 Cb 0.88 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1u4b h ALA 451 CO 0.07 0.63 0.17 0.00 0.00 0.00 0.00 179.25 180.12 1u4b h ALA 452 N 1.21 0.99 -0.32 0.00 0.00 -0.56 -0.64 119.26 119.95 1u4b h ALA 452 Ca 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1u4b h ALA 452 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u4b h ALA 452 CO -0.01 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.99 1u4b h ALA 453 N 1.13 0.42 -0.63 0.00 0.00 -0.74 -1.48 119.26 117.95 1u4b h ALA 453 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u4b h ALA 453 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1u4b h ALA 453 CO 0.00 0.06 0.41 0.82 0.00 0.00 0.00 179.25 180.54 1u4b h ILE 454 N 0.36 1.17 -0.83 0.00 2.04 -1.01 0.71 117.51 119.94 1u4b h ILE 454 Ca 0.10 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1u4b h ILE 454 Cb 0.26 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1u4b h ILE 454 CO -0.00 0.17 0.54 -0.25 0.00 0.00 0.00 178.15 178.61 1u4b h TRP 455 N 0.86 1.02 0.07 1.37 2.91 -0.87 -2.42 115.95 118.87 1u4b h TRP 455 Ca 0.23 0.03 -0.25 0.00 1.13 0.00 0.00 58.89 60.03 1u4b h TRP 455 Cb -0.07 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.24 1u4b h TRP 455 CO -0.03 0.60 -1.10 1.49 -1.03 0.00 0.00 178.44 178.38 1u4b h GLU 456 N 1.07 0.30 0.00 2.65 4.57 -0.84 -3.36 114.58 118.96 1u4b h GLU 456 Ca 0.32 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1u4b h GLU 456 Cb -0.03 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1u4b h GLU 456 CO -0.10 1.15 -0.41 1.28 -1.18 0.00 0.00 179.01 179.75 1u4b n LEU 457 N -3.61 0.70 -0.04 1.64 4.77 0.20 -4.30 117.00 116.38 1u4b n LEU 457 Ca -0.07 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1u4b n LEU 457 Cb 0.94 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1u4b n LEU 457 CO 0.52 -0.08 0.73 -0.08 -1.33 0.00 0.00 177.39 177.14 1u4b h GLU 458 N 0.00 -0.20 0.27 3.23 4.81 -1.59 -1.76 114.58 119.34 1u4b h GLU 458 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1u4b h GLU 458 Cb 0.72 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1u4b h GLU 458 CO 0.00 -0.13 -0.26 -0.09 -0.73 0.00 0.00 179.01 177.80 1u4b h ARG 459 N -0.21 -0.54 -0.65 1.92 2.43 -1.85 -0.36 114.38 115.13 1u4b h ARG 459 Ca 0.13 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1u4b h ARG 459 Cb 0.40 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1u4b h ARG 459 CO -0.34 -0.36 0.38 -1.00 -1.51 0.00 0.00 179.97 177.14 1u4b h PRO 460 N -0.56 0.88 -0.24 0.20 0.13 -1.76 0.02 132.00 130.66 1u4b h PRO 460 Ca -0.01 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 1u4b h PRO 460 Cb 0.51 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1u4b h PRO 460 CO -0.05 0.62 -0.12 0.74 -0.23 0.00 0.00 178.00 178.96 1u4b h PHE 461 N 0.89 0.59 -0.61 1.56 -1.00 -1.13 -2.04 116.94 115.20 1u4b h PHE 461 Ca 0.23 -0.15 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1u4b h PHE 461 Cb -0.02 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 1u4b h PHE 461 CO 0.00 0.78 0.22 -0.07 -1.61 0.00 0.00 178.31 177.63 1u4b h LEU 462 N 0.24 0.83 -0.58 1.54 3.38 -0.77 -0.71 115.31 119.24 1u4b h LEU 462 Ca 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1u4b h LEU 462 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1u4b h LEU 462 CO 0.04 0.76 0.21 0.44 0.09 0.00 0.00 178.44 179.98 1u4b h ASP 463 N 0.88 0.82 -0.14 -0.43 3.45 -0.88 -1.02 116.42 119.11 1u4b h ASP 463 Ca 0.20 -0.19 -0.16 0.00 0.43 0.00 0.00 57.03 57.32 1u4b h ASP 463 Cb 0.21 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1u4b h ASP 463 CO -0.01 0.78 -0.48 -0.08 -1.57 0.00 0.00 179.24 177.88 1u4b h GLU 464 N 0.81 0.71 -0.84 3.56 4.81 -1.04 -2.12 114.58 120.46 1u4b h GLU 464 Ca 0.19 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1u4b h GLU 464 Cb 0.24 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1u4b h GLU 464 CO -0.01 1.03 0.53 -0.07 -0.73 0.00 0.00 179.01 179.76 1u4b h LEU 465 N 0.56 0.98 -0.59 1.64 3.38 -0.90 -0.82 115.31 119.55 1u4b h LEU 465 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1u4b h LEU 465 Cb 1.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1u4b h LEU 465 CO 0.10 0.73 0.32 -0.09 0.09 0.00 0.00 178.44 179.59 1u4b h ARG 466 N 1.14 0.83 -0.57 1.13 2.43 -0.96 0.20 114.38 118.58 1u4b h ARG 466 Ca 0.30 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1u4b h ARG 466 Cb -0.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1u4b h ARG 466 CO -0.06 0.63 0.29 0.00 -1.51 0.00 0.00 179.97 179.32 1u4b h ARG 467 N 0.80 0.78 -0.00 0.20 3.08 -0.80 -1.15 114.38 117.30 1u4b h ARG 467 Ca 0.21 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1u4b h ARG 467 Cb 0.05 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1u4b h ARG 467 CO -0.03 0.59 -0.01 0.09 -1.07 0.00 0.00 179.97 179.54 1u4b n ASN 468 N -4.38 0.05 -2.43 7.04 4.13 -0.37 -4.89 115.26 114.41 1u4b n ASN 468 Ca 0.05 -0.58 -0.18 0.00 1.68 0.00 0.00 54.58 55.55 1u4b n ASN 468 Cb 0.11 -0.14 0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1u4b n ASN 468 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1u4b n GLU 469 N -1.11 -4.00 -0.07 3.52 1.02 -0.43 -4.90 120.64 114.66 1u4b n GLU 469 Ca 0.19 0.71 0.02 0.00 -0.02 0.00 0.00 57.16 58.06 1u4b n GLU 469 Cb 0.19 -5.16 0.06 0.00 -0.02 0.00 0.00 31.44 26.51 1u4b n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u4b n GLN 470 N -3.36 2.59 -0.26 3.49 6.02 0.60 -4.72 117.38 121.75 1u4b n GLN 470 Ca -0.08 -1.64 -0.05 0.00 -0.01 0.00 0.00 57.00 55.22 1u4b n GLN 470 Cb 0.59 -1.11 0.05 0.00 1.02 0.00 0.00 30.24 30.79 1u4b n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1u4b h ASP 471 N 0.89 0.87 0.60 1.08 2.03 -1.84 -1.94 116.42 118.11 1u4b h ASP 471 Ca 0.00 -0.07 -0.15 0.00 -0.73 0.00 0.00 57.03 56.07 1u4b h ASP 471 Cb 0.56 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 1u4b h ASP 471 CO 0.00 0.69 -0.70 0.03 -1.03 0.00 0.00 179.24 178.22 1u4b h ARG 472 N 0.98 0.08 -0.98 4.15 3.08 -1.93 -1.81 114.38 117.95 1u4b h ARG 472 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1u4b h ARG 472 Cb -0.01 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1u4b h ARG 472 CO -0.05 0.75 0.63 1.25 -1.07 0.00 0.00 179.97 181.48 1u4b h LEU 473 N 0.05 1.15 0.13 3.04 5.85 -1.71 0.39 115.31 124.22 1u4b h LEU 473 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1u4b h LEU 473 Cb 1.24 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1u4b h LEU 473 CO 0.10 0.85 -0.06 0.25 -0.34 0.00 0.00 178.44 179.24 1u4b h LEU 474 N 1.34 -0.15 -0.43 2.25 5.85 -1.22 -0.66 115.31 122.29 1u4b h LEU 474 Ca 0.36 -0.36 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1u4b h LEU 474 Cb -0.12 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1u4b h LEU 474 CO -0.07 0.45 -0.58 0.58 -0.34 0.00 0.00 178.44 178.47 1u4b h VAL 475 N -0.92 1.31 0.00 1.05 2.07 -1.27 -0.33 116.25 118.16 1u4b h VAL 475 Ca -0.02 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1u4b h VAL 475 Cb 0.51 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1u4b h VAL 475 CO 0.03 0.57 -1.32 -0.62 0.02 0.00 0.00 177.57 176.25 1u4b n GLU 476 N -3.96 0.37 0.01 1.57 1.02 0.14 -4.42 120.64 115.37 1u4b n GLU 476 Ca -0.04 -0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1u4b n GLU 476 Cb 0.63 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1u4b n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1u4b n LEU 477 N -1.75 0.15 -0.19 -4.62 7.94 -1.12 -4.71 117.00 112.69 1u4b n LEU 477 Ca 0.01 0.02 -0.08 0.00 -1.11 0.00 0.00 56.01 54.85 1u4b n LEU 477 Cb 0.40 -0.06 0.02 0.00 0.53 0.00 0.00 43.42 44.31 1u4b n LEU 477 CO 0.43 -0.53 0.95 -0.33 -1.11 0.00 0.00 177.39 176.79 1u4b h GLU 478 N -0.00 0.83 -0.30 1.96 4.39 -1.11 -1.26 114.58 119.08 1u4b h GLU 478 Ca 0.00 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 1u4b h GLU 478 Cb 0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1u4b h GLU 478 CO 0.00 0.74 -0.04 1.96 -1.16 0.00 0.00 179.01 180.51 1u4b h GLN 479 N 0.75 0.56 -0.28 2.33 4.20 -1.30 -1.00 115.11 120.38 1u4b h GLN 479 Ca 0.18 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1u4b h GLN 479 Cb 0.24 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1u4b h GLN 479 CO -0.01 0.73 -0.11 -1.35 -0.67 0.00 0.00 178.83 177.42 1u4b h PRO 480 N 0.34 0.46 -0.42 1.46 0.11 -1.76 -2.31 132.00 129.88 1u4b h PRO 480 Ca 0.08 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 1u4b h PRO 480 Cb 0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1u4b h PRO 480 CO 0.02 0.57 -0.00 1.25 -0.21 0.00 0.00 178.00 179.63 1u4b h LEU 481 N 0.43 0.65 -0.82 2.35 5.85 -0.98 -2.70 115.31 120.09 1u4b h LEU 481 Ca 0.08 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1u4b h LEU 481 Cb 0.45 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1u4b h LEU 481 CO 0.03 0.73 0.49 -1.28 -0.34 0.00 0.00 178.44 178.06 1u4b h SER 482 N 0.65 0.72 -0.33 1.25 0.87 -0.60 0.86 113.55 116.97 1u4b h SER 482 Ca 0.13 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1u4b h SER 482 Cb 0.41 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1u4b h SER 482 CO 0.02 0.43 -0.08 0.28 -0.53 0.00 0.00 176.83 176.95 1u4b h SER 483 N 0.85 0.72 -0.32 6.23 0.02 -1.43 -1.22 113.55 118.39 1u4b h SER 483 Ca 0.38 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 1u4b h SER 483 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1u4b h SER 483 CO -0.22 0.84 -0.21 0.40 -1.14 0.00 0.00 176.83 176.50 1u4b h ILE 484 N 0.68 1.29 -0.57 3.27 2.04 -1.04 -2.31 117.51 120.87 1u4b h ILE 484 Ca 0.12 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1u4b h ILE 484 Cb 0.53 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1u4b h ILE 484 CO 0.03 0.44 0.18 -0.07 0.00 0.00 0.00 178.15 178.72 1u4b h LEU 485 N 0.48 0.79 -0.67 1.44 3.38 -0.72 -1.24 115.31 118.75 1u4b h LEU 485 Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u4b h LEU 485 Cb 0.76 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1u4b h LEU 485 CO 0.06 0.74 0.45 0.00 0.09 0.00 0.00 178.44 179.78 1u4b h ALA 486 N 1.37 0.85 -0.57 1.53 0.00 -1.03 -0.11 119.26 121.31 1u4b h ALA 486 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1u4b h ALA 486 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1u4b h ALA 486 CO -0.01 0.28 0.18 0.93 0.00 0.00 0.00 179.25 180.64 1u4b h GLU 487 N 0.91 0.88 -0.15 0.00 5.08 -0.83 -1.55 114.58 118.91 1u4b h GLU 487 Ca 0.25 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1u4b h GLU 487 Cb -0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1u4b h GLU 487 CO -0.05 0.79 0.07 0.52 -1.00 0.00 0.00 179.01 179.33 1u4b h MET 488 N 0.79 0.23 -0.45 2.33 2.86 -0.76 -0.90 114.93 119.04 1u4b h MET 488 Ca 0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1u4b h MET 488 Cb 0.27 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1u4b h MET 488 CO -0.01 0.29 0.24 0.93 1.06 0.00 0.00 176.91 179.43 1u4b h GLU 489 N 0.11 0.62 -0.68 1.72 5.08 -0.98 -1.96 114.58 118.50 1u4b h GLU 489 Ca 0.05 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1u4b h GLU 489 Cb 0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1u4b h GLU 489 CO -0.01 0.50 0.17 0.35 -1.00 0.00 0.00 179.01 179.03 1u4b h PHE 490 N 0.59 1.11 -0.34 4.33 3.57 -1.19 -2.87 116.94 122.14 1u4b h PHE 490 Ca 0.16 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1u4b h PHE 490 Cb 0.06 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1u4b h PHE 490 CO -0.02 0.90 0.16 0.00 -2.23 0.00 0.00 178.31 177.12 1u4b h ALA 491 N 1.17 0.43 -1.32 2.41 0.00 -0.95 -3.49 119.26 117.51 1u4b h ALA 491 Ca 0.22 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.18 1u4b h ALA 491 Cb 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1u4b h ALA 491 CO -0.00 -0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.40 1u4b n GLY 492 N -0.86 -1.72 3.12 0.00 0.00 -0.75 -4.90 105.19 100.07 1u4b n GLY 492 Ca -0.01 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 1u4b n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u4b s VAL 493 N -1.78 1.60 0.26 1.61 1.01 -0.52 -4.93 120.40 117.65 1u4b s VAL 493 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1u4b s VAL 493 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1u4b s VAL 493 CO 0.00 0.46 1.17 -0.75 0.00 0.00 0.00 175.10 175.98 1u4b s LYS 494 N 0.50 4.54 -0.04 2.72 2.47 -1.25 -0.99 119.74 127.69 1u4b s LYS 494 Ca -0.17 1.92 0.07 0.00 -1.56 0.00 0.00 55.97 56.22 1u4b s LYS 494 Cb -0.17 -3.18 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1u4b s LYS 494 CO 0.06 0.04 -0.25 0.08 0.16 0.00 0.00 175.35 175.44 1u4b s VAL 495 N -0.83 2.03 -1.09 4.02 1.01 0.36 -1.73 120.40 124.17 1u4b s VAL 495 Ca 0.48 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1u4b s VAL 495 Cb -0.34 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.46 1u4b s VAL 495 CO 0.42 0.57 1.36 -0.62 0.00 0.00 0.00 175.10 176.83 1u4b s ASP 496 N -0.32 6.79 0.37 3.32 -1.08 0.14 -4.83 116.67 121.05 1u4b s ASP 496 Ca 0.01 -2.33 0.04 0.00 -0.52 0.00 0.00 52.55 49.75 1u4b s ASP 496 Cb -0.12 -2.45 0.70 0.00 -1.46 0.00 0.00 42.92 39.58 1u4b s ASP 496 CO 0.02 -1.04 2.01 0.71 0.52 0.00 0.00 175.17 177.40 1u4b h THR 497 N 5.55 1.15 -0.79 1.71 1.35 -1.90 -2.13 112.91 117.84 1u4b h THR 497 Ca 0.26 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1u4b h THR 497 Cb 0.95 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 1u4b h THR 497 CO 1.25 0.15 0.44 0.11 -0.25 0.00 0.00 175.52 177.21 1u4b h LYS 498 N 0.74 1.09 -0.50 4.72 1.57 -1.99 -0.13 116.57 122.07 1u4b h LYS 498 Ca 0.20 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1u4b h LYS 498 Cb -0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1u4b h LYS 498 CO -0.04 0.80 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.38 1u4b h ARG 499 N 1.10 0.98 -0.48 3.15 2.43 -1.81 -1.39 114.38 118.36 1u4b h ARG 499 Ca 0.28 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1u4b h ARG 499 Cb 0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1u4b h ARG 499 CO -0.05 1.06 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.40 1u4b h LEU 500 N 0.86 0.84 -0.97 3.80 3.38 -1.11 -1.32 115.31 120.79 1u4b h LEU 500 Ca 0.12 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1u4b h LEU 500 Cb 0.73 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1u4b h LEU 500 CO 0.06 0.95 0.41 -0.33 0.09 0.00 0.00 178.44 179.61 1u4b h GLU 501 N 0.71 1.14 -0.49 1.13 5.08 -0.88 0.81 114.58 122.09 1u4b h GLU 501 Ca 0.14 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1u4b h GLU 501 Cb 0.52 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1u4b h GLU 501 CO 0.03 0.86 0.01 0.37 -1.00 0.00 0.00 179.01 179.28 1u4b h GLN 502 N 1.14 0.85 -0.81 2.33 5.75 -1.04 -1.80 115.11 121.53 1u4b h GLN 502 Ca 0.28 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1u4b h GLN 502 Cb 0.07 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1u4b h GLN 502 CO -0.04 0.88 0.41 0.52 -2.65 0.00 0.00 178.83 177.96 1u4b h MET 503 N 0.71 1.14 -0.98 1.69 2.86 -0.66 -1.31 114.93 118.38 1u4b h MET 503 Ca 0.14 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1u4b h MET 503 Cb 0.49 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1u4b h MET 503 CO 0.02 0.86 0.64 0.78 1.06 0.00 0.00 176.91 180.28 1u4b h GLY 504 N 1.13 1.42 1.10 8.32 0.00 -0.50 0.76 103.07 115.30 1u4b h GLY 504 Ca 0.28 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1u4b h GLY 504 CO -0.04 0.44 -0.13 0.50 0.00 0.00 0.00 176.54 177.30 1u4b h LYS 505 N 1.26 1.03 -0.47 4.80 6.56 -0.69 -1.11 116.57 127.95 1u4b h LYS 505 Ca 0.38 -0.40 -0.11 0.00 -1.06 0.00 0.00 60.65 59.46 1u4b h LYS 505 Cb -0.03 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 1u4b h LYS 505 CO -0.11 1.09 -0.15 0.93 -2.06 0.00 0.00 179.45 179.15 1u4b h GLU 506 N 0.91 0.90 -0.36 3.15 5.08 -0.61 -2.75 114.58 120.90 1u4b h GLU 506 Ca 0.13 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 1u4b h GLU 506 Cb 0.71 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1u4b h GLU 506 CO 0.05 0.98 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.59 1u4b h LEU 507 N 0.80 0.93 -1.09 1.33 3.38 -0.76 -2.45 115.31 117.45 1u4b h LEU 507 Ca 0.12 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1u4b h LEU 507 Cb 0.68 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1u4b h LEU 507 CO 0.05 1.20 0.62 0.00 0.09 0.00 0.00 178.44 180.40 1u4b h ALA 508 N 0.84 1.41 -0.02 1.53 0.00 -1.08 0.44 119.26 122.38 1u4b h ALA 508 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u4b h ALA 508 Cb 0.96 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1u4b h ALA 508 CO 0.09 0.49 -0.00 1.49 0.00 0.00 0.00 179.25 181.32 1u4b h GLU 509 N 1.17 0.04 -0.68 0.00 4.22 -1.37 -2.00 114.58 115.95 1u4b h GLU 509 Ca 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1u4b h GLU 509 Cb 0.04 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1u4b h GLU 509 CO -0.12 0.36 0.35 1.96 -2.18 0.00 0.00 179.01 179.38 1u4b h GLN 510 N -0.30 0.97 -0.95 1.92 4.20 -0.97 -1.60 115.11 118.38 1u4b h GLN 510 Ca 0.01 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.62 1u4b h GLN 510 Cb 0.35 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1u4b h GLN 510 CO 0.00 0.75 0.63 1.25 -0.67 0.00 0.00 178.83 180.79 1u4b h LEU 511 N 0.94 1.05 -0.42 1.46 5.85 -0.09 -0.41 115.31 123.69 1u4b h LEU 511 Ca 0.24 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1u4b h LEU 511 Cb 0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1u4b h LEU 511 CO -0.03 0.73 -0.20 1.23 -0.34 0.00 0.00 178.44 179.83 1u4b h GLY 512 N 1.23 0.95 0.81 3.75 0.00 -0.81 -0.53 103.07 108.47 1u4b h GLY 512 Ca 0.37 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1u4b h GLY 512 CO -0.11 0.78 -0.03 -0.84 0.00 0.00 0.00 176.54 176.34 1u4b h THR 513 N 0.70 1.05 -0.44 4.70 2.02 -0.69 -1.82 112.91 118.43 1u4b h THR 513 Ca 0.09 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 1u4b h THR 513 Cb 0.76 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1u4b h THR 513 CO 0.06 0.10 0.00 0.58 0.37 0.00 0.00 175.52 176.64 1u4b h VAL 514 N -0.28 1.23 -0.42 3.16 2.07 -1.13 -2.09 116.25 118.80 1u4b h VAL 514 Ca -0.01 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1u4b h VAL 514 Cb 0.24 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1u4b h VAL 514 CO 0.02 0.33 0.24 -0.08 0.02 0.00 0.00 177.57 178.09 1u4b h GLU 515 N 0.67 0.47 -0.45 1.57 4.81 -0.92 -1.04 114.58 119.69 1u4b h GLU 515 Ca 0.14 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1u4b h GLU 515 Cb 0.41 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1u4b h GLU 515 CO 0.02 0.31 -0.19 1.96 -0.73 0.00 0.00 179.01 180.37 1u4b h GLN 516 N 0.48 0.89 -0.54 1.92 1.08 -1.07 -2.46 115.11 115.41 1u4b h GLN 516 Ca 0.17 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 1u4b h GLN 516 Cb 0.03 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1u4b h GLN 516 CO -0.09 1.00 0.21 -0.09 -0.95 0.00 0.00 178.83 178.91 1u4b h ARG 517 N 0.77 0.78 -0.35 1.46 9.65 -1.03 -0.98 114.38 124.69 1u4b h ARG 517 Ca 0.11 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1u4b h ARG 517 Cb 0.73 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1u4b h ARG 517 CO 0.06 0.65 0.01 0.82 2.80 0.00 0.00 179.97 184.31 1u4b h ILE 518 N 0.77 1.25 -0.46 1.20 2.04 -0.90 -1.00 117.51 120.41 1u4b h ILE 518 Ca 0.18 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 1u4b h ILE 518 Cb 0.17 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1u4b h ILE 518 CO -0.02 0.32 0.01 1.88 0.00 0.00 0.00 178.15 180.34 1u4b h TYR 519 N 0.43 0.78 -0.14 1.37 0.05 -1.08 -0.43 116.97 117.95 1u4b h TYR 519 Ca 0.10 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1u4b h TYR 519 Cb 0.44 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1u4b h TYR 519 CO 0.03 0.72 0.07 1.49 -1.05 0.00 0.00 178.16 179.43 1u4b h GLU 520 N 0.70 0.20 0.00 4.88 4.81 -0.91 0.23 114.58 124.49 1u4b h GLU 520 Ca 0.14 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1u4b h GLU 520 Cb 0.41 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1u4b h GLU 520 CO 0.02 0.25 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.22 1u4b h LEU 521 N 0.10 0.00 0.00 1.64 3.38 -0.95 -2.93 115.31 116.55 1u4b h LEU 521 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1u4b h LEU 521 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1u4b h LEU 521 CO -0.01 0.26 -0.93 0.00 0.09 0.00 0.00 178.44 177.85 1u4b h ALA 522 N 1.74 0.56 -0.01 1.53 0.00 -0.75 -3.48 119.26 118.85 1u4b h ALA 522 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u4b h ALA 522 Cb 0.69 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1u4b h ALA 522 CO 0.03 0.08 -0.00 0.41 0.00 0.00 0.00 179.25 179.77 1u4b n GLY 523 N 1.19 0.44 3.61 0.00 0.00 0.76 -4.99 105.19 106.20 1u4b n GLY 523 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 1u4b n GLY 523 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u4b s GLN 524 N -1.24 0.31 -0.10 1.61 -2.07 -0.84 -5.03 119.66 112.29 1u4b s GLN 524 Ca 0.00 -0.15 -0.07 0.00 -1.82 0.00 0.00 55.36 53.32 1u4b s GLN 524 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 1u4b s GLN 524 CO 0.00 -0.14 0.16 -1.21 -1.32 0.00 0.00 175.29 172.78 1u4b s GLU 525 N -2.37 3.47 0.29 9.60 2.02 -1.26 -4.42 118.70 126.03 1u4b s GLU 525 Ca 0.12 -0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.84 1u4b s GLU 525 Cb 0.02 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.08 1u4b s GLU 525 CO -0.04 0.77 0.63 -0.59 0.02 0.00 0.00 175.26 176.05 1u4b s PHE 526 N -1.05 0.13 -0.78 1.61 -0.71 -1.26 -5.10 117.98 110.82 1u4b s PHE 526 Ca 0.16 -0.58 -0.24 0.00 -1.04 0.00 0.00 56.93 55.24 1u4b s PHE 526 Cb -0.12 0.50 0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1u4b s PHE 526 CO 0.06 -1.20 1.18 1.21 -1.34 0.00 0.00 175.22 175.12 1u4b s ASN 527 N -3.00 6.27 0.51 1.98 3.04 -1.26 -4.86 114.94 117.62 1u4b s ASN 527 Ca 0.17 -0.98 0.17 0.00 0.04 0.00 0.00 52.86 52.26 1u4b s ASN 527 Cb -0.04 -2.49 1.25 0.00 -1.54 0.00 0.00 41.25 38.43 1u4b s ASN 527 CO 0.09 -1.56 2.11 0.40 -3.04 0.00 0.00 177.10 175.10 1u4b h ILE 528 N 6.11 0.96 0.00 -5.21 2.04 -1.99 -1.24 117.51 118.18 1u4b h ILE 528 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1u4b h ILE 528 Cb 1.05 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1u4b h ILE 528 CO 1.25 0.01 0.00 0.59 0.00 0.00 0.00 178.15 180.00 1u4b n ASN 529 N -4.50 0.00 -4.37 1.72 4.13 -1.26 -4.55 115.26 106.43 1u4b n ASN 529 Ca 0.00 -0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.64 1u4b n ASN 529 Cb 0.19 -0.19 -0.10 0.00 -1.54 0.00 0.00 39.78 38.15 1u4b n ASN 529 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1u4b s SER 530 N -2.38 5.91 0.65 6.41 0.15 -0.47 -4.93 113.70 119.04 1u4b s SER 530 Ca 0.22 -1.21 0.35 0.00 0.70 0.00 0.00 55.95 56.01 1u4b s SER 530 Cb 0.13 -2.09 1.94 0.00 -1.71 0.00 0.00 66.02 64.29 1u4b s SER 530 CO 0.27 -0.52 2.14 -0.65 1.20 0.00 0.00 173.24 175.68 1u4b h PRO 531 N 8.56 0.00 0.07 5.44 0.11 -1.86 0.22 132.00 144.54 1u4b h PRO 531 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u4b h PRO 531 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u4b h PRO 531 CO 0.77 0.00 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.31 1u4b h LYS 532 N 0.00 -0.09 -0.27 1.05 3.64 -1.91 -2.04 116.57 116.95 1u4b h LYS 532 Ca 0.02 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1u4b h LYS 532 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1u4b h LYS 532 CO -0.00 0.48 -0.20 1.96 -2.27 0.00 0.00 179.45 179.43 1u4b h GLN 533 N -0.89 0.49 -0.19 1.90 4.20 -1.59 -2.85 115.11 116.18 1u4b h GLN 533 Ca -0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1u4b h GLN 533 Cb 0.61 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1u4b h GLN 533 CO 0.01 0.67 0.04 1.25 -0.67 0.00 0.00 178.83 180.13 1u4b h LEU 534 N 0.45 0.29 -1.37 1.46 5.85 -0.70 -2.83 115.31 118.46 1u4b h LEU 534 Ca 0.07 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1u4b h LEU 534 Cb 0.60 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1u4b h LEU 534 CO 0.04 0.45 0.51 1.23 -0.34 0.00 0.00 178.44 180.34 1u4b h GLY 535 N 0.11 1.02 0.92 3.75 0.00 -1.20 -0.29 103.07 107.37 1u4b h GLY 535 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1u4b h GLY 535 CO 0.00 0.17 0.10 -2.08 0.00 0.00 0.00 176.54 174.73 1u4b h VAL 536 N 0.71 1.22 -0.17 4.60 2.07 -1.32 -0.14 116.25 123.22 1u4b h VAL 536 Ca 0.36 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1u4b h VAL 536 Cb 0.47 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1u4b h VAL 536 CO -0.14 0.25 0.06 0.40 0.02 0.00 0.00 177.57 178.16 1u4b h ILE 537 N 0.42 1.17 0.31 4.57 1.08 -1.08 -1.09 117.51 122.89 1u4b h ILE 537 Ca 0.11 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1u4b h ILE 537 Cb 0.28 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1u4b h ILE 537 CO -0.00 0.16 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.40 1u4b h LEU 538 N 0.11 -0.35 0.00 1.44 3.38 -1.02 0.45 115.31 119.32 1u4b h LEU 538 Ca 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1u4b h LEU 538 Cb 0.20 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u4b h LEU 538 CO -0.00 0.08 -0.47 0.49 0.09 0.00 0.00 178.44 178.63 1u4b n PHE 539 N -5.09 0.13 0.01 1.13 3.72 -0.07 -0.88 117.46 116.42 1u4b n PHE 539 Ca -0.09 0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.33 1u4b n PHE 539 Cb 0.27 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 1u4b n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u4b n GLU 540 N -1.65 0.14 -0.14 -1.08 1.02 -0.56 -4.18 120.64 114.19 1u4b n GLU 540 Ca 0.05 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1u4b n GLU 540 Cb 0.36 -0.71 -0.01 0.00 -0.02 0.00 0.00 31.44 31.07 1u4b n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1u4b h LYS 541 N -0.26 0.66 -0.02 3.49 3.11 -1.15 -3.18 116.57 119.22 1u4b h LYS 541 Ca 0.00 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1u4b h LYS 541 Cb 0.26 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1u4b h LYS 541 CO 0.00 0.68 -0.14 1.28 -2.81 0.00 0.00 179.45 178.45 1u4b n LEU 542 N -4.55 2.36 -2.62 5.20 4.77 0.14 -4.99 117.00 117.31 1u4b n LEU 542 Ca -0.00 -0.80 -0.19 0.00 -0.03 0.00 0.00 56.01 54.98 1u4b n LEU 542 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1u4b n LEU 542 CO 0.39 0.40 -0.17 0.00 -1.33 0.00 0.00 177.39 176.68 1u4b n GLN 543 N 0.65 -2.66 -2.34 3.23 1.13 -1.10 -4.94 117.38 111.35 1u4b n GLN 543 Ca 0.13 0.85 -0.35 0.00 -1.94 0.00 0.00 57.00 55.70 1u4b n GLN 543 Cb 0.51 -5.55 -0.01 0.00 0.11 0.00 0.00 30.24 25.30 1u4b n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u4b s LEU 544 N -6.12 3.81 0.37 1.08 1.43 -0.05 -4.97 118.68 114.23 1u4b s LEU 544 Ca 0.10 2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 55.05 1u4b s LEU 544 Cb -0.05 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1u4b s LEU 544 CO 0.12 -1.06 1.31 -2.16 0.23 0.00 0.00 176.35 174.79 1u4b s PRO 545 N -3.20 4.13 -0.57 1.29 0.04 -1.26 -4.51 135.00 130.92 1u4b s PRO 545 Ca 0.70 2.19 -0.20 0.00 0.04 0.00 0.00 61.00 63.74 1u4b s PRO 545 Cb -0.22 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.51 1u4b s PRO 545 CO 0.26 -0.37 0.72 0.08 0.04 0.00 0.00 177.00 177.73 1u4b s VAL 546 N -1.21 4.76 -1.14 -0.36 1.01 -1.26 -4.86 120.40 117.33 1u4b s VAL 546 Ca 0.53 -0.70 0.23 0.00 0.00 0.00 0.00 61.98 62.04 1u4b s VAL 546 Cb -0.39 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.45 1u4b s VAL 546 CO 0.51 -1.06 1.15 0.18 0.00 0.00 0.00 175.10 175.88 1u4b n LEU 547 N 6.49 0.91 -3.58 3.92 4.77 -1.26 -4.97 117.00 123.29 1u4b n LEU 547 Ca -0.07 -0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 55.45 1u4b n LEU 547 Cb 0.44 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1u4b n LEU 547 CO 0.58 0.21 0.59 -0.75 -1.33 0.00 0.00 177.39 176.69 1u4b s LYS 548 N -2.92 0.79 0.22 3.23 2.20 -1.26 -5.15 119.74 116.85 1u4b s LYS 548 Ca 0.11 0.41 0.10 0.00 -0.36 0.00 0.00 55.97 56.23 1u4b s LYS 548 Cb 0.17 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.82 1u4b s LYS 548 CO 0.76 -0.20 -0.14 0.21 -0.36 0.00 0.00 175.35 175.62 1u4b s LYS 549 N -0.66 1.88 0.00 4.03 2.20 -1.26 -3.01 119.74 122.92 1u4b s LYS 549 Ca -0.04 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.09 1u4b s LYS 549 Cb -0.02 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1u4b s LYS 549 CO 0.03 0.39 0.00 0.25 -0.36 0.00 0.00 175.35 175.66 1u4b n THR 550 N -0.25 0.00 0.00 3.43 -2.24 -1.11 -4.75 114.28 109.37 1u4b n THR 550 Ca -0.09 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1u4b n THR 550 Cb 0.57 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1u4b n THR 550 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1u4b n LYS 551 N -2.14 0.00 0.00 -0.78 4.81 -1.26 -4.94 118.16 113.85 1u4b n LYS 551 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1u4b n LYS 551 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1u4b n LYS 551 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1u4b n THR 552 N 0.00 0.45 0.00 3.15 5.66 -1.26 -5.11 114.28 117.18 1u4b n THR 552 Ca 0.00 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1u4b n THR 552 Cb 0.00 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 1u4b n THR 552 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u4b n GLY 553 N -0.23 -0.73 3.76 1.09 0.00 -1.26 -5.13 105.19 102.70 1u4b n GLY 553 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1u4b n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u4b s TYR 554 N -4.00 3.80 0.02 1.61 4.12 -1.26 -2.73 117.35 118.91 1u4b s TYR 554 Ca 0.00 1.48 -0.24 0.00 0.02 0.00 0.00 57.07 58.33 1u4b s TYR 554 Cb 0.00 -2.75 -0.05 0.00 -1.52 0.00 0.00 41.96 37.64 1u4b s TYR 554 CO 0.00 0.40 0.73 0.45 0.02 0.00 0.00 175.55 177.15 1u4b s SER 555 N -0.55 7.14 -0.08 2.29 0.15 -1.16 -4.66 113.70 116.82 1u4b s SER 555 Ca 0.36 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.54 1u4b s SER 555 Cb -0.21 -2.44 0.35 0.00 -1.71 0.00 0.00 66.02 62.00 1u4b s SER 555 CO 0.23 0.00 1.16 0.35 1.20 0.00 0.00 173.24 176.18 1u4b n THR 556 N 2.97 0.91 -1.39 6.45 -2.24 -1.26 -4.90 114.28 114.81 1u4b n THR 556 Ca -0.03 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.73 1u4b n THR 556 Cb 0.51 0.39 0.09 0.00 -2.10 0.00 0.00 70.33 69.22 1u4b n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u4b s SER 557 N -2.34 4.33 0.30 3.42 1.04 -1.26 -4.70 113.70 114.50 1u4b s SER 557 Ca 0.30 2.13 0.05 0.00 0.48 0.00 0.00 55.95 58.91 1u4b s SER 557 Cb 0.31 -2.56 0.71 0.00 0.10 0.00 0.00 66.02 64.58 1u4b s SER 557 CO -0.09 -2.16 1.77 0.00 0.98 0.00 0.00 173.24 173.75 1u4b h ALA 558 N -0.57 1.62 -0.55 5.32 0.00 -1.98 0.02 119.26 123.11 1u4b h ALA 558 Ca -0.46 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1u4b h ALA 558 Cb 1.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1u4b h ALA 558 CO 0.50 -0.05 0.29 0.38 0.00 0.00 0.00 179.25 180.37 1u4b h ASP 559 N 0.75 0.67 -0.04 0.00 3.04 -2.00 0.40 116.42 119.26 1u4b h ASP 559 Ca 0.56 -0.05 -0.04 0.00 -3.24 0.00 0.00 57.03 54.26 1u4b h ASP 559 Cb 0.86 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1u4b h ASP 559 CO -0.38 0.55 -0.14 0.58 -2.04 0.00 0.00 179.24 177.81 1u4b h VAL 560 N 0.76 1.47 -0.97 4.15 2.07 -1.39 -3.25 116.25 119.10 1u4b h VAL 560 Ca 0.20 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1u4b h VAL 560 Cb 0.03 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 1u4b h VAL 560 CO -0.03 0.44 0.63 -0.07 0.02 0.00 0.00 177.57 178.56 1u4b h LEU 561 N -0.42 1.03 -1.85 2.57 3.38 -0.88 -1.60 115.31 117.55 1u4b h LEU 561 Ca -0.01 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1u4b h LEU 561 Cb 0.79 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1u4b h LEU 561 CO 0.03 0.69 0.21 -0.33 0.09 0.00 0.00 178.44 179.14 1u4b h GLU 562 N 1.19 0.19 0.00 1.13 5.08 -0.98 0.05 114.58 121.24 1u4b h GLU 562 Ca 0.39 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1u4b h GLU 562 Cb 0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1u4b h GLU 562 CO -0.14 0.12 -0.52 0.87 -1.00 0.00 0.00 179.01 178.34 1u4b h LYS 563 N 0.19 0.00 0.00 2.33 1.57 -1.34 -3.26 116.57 116.07 1u4b h LYS 563 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1u4b h LYS 563 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1u4b h LYS 563 CO -0.02 0.52 -0.66 1.28 -0.57 0.00 0.00 179.45 180.00 1u4b n LEU 564 N -3.24 0.67 -0.27 2.94 4.77 -0.25 -4.40 117.00 117.22 1u4b n LEU 564 Ca 0.02 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1u4b n LEU 564 Cb 0.74 -0.18 0.22 0.00 -2.33 0.00 0.00 43.42 41.87 1u4b n LEU 564 CO 0.41 -0.03 0.90 0.00 -1.33 0.00 0.00 177.39 177.34 1u4b h ALA 565 N 2.55 1.04 0.00 -1.18 0.00 -1.10 -0.57 119.26 120.00 1u4b h ALA 565 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u4b h ALA 565 Cb 0.73 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1u4b h ALA 565 CO 0.00 -0.42 0.00 -1.00 0.00 0.00 0.00 179.25 177.83 1u4b h PRO 566 N 0.19 0.00 0.00 0.00 0.13 -1.82 -2.96 132.00 127.54 1u4b h PRO 566 Ca 0.47 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.40 1u4b h PRO 566 Cb 0.88 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 1u4b h PRO 566 CO -0.62 0.00 -1.09 1.88 -0.23 0.00 0.00 178.00 177.94 1u4b h TYR 567 N 0.00 0.00 -2.36 1.56 -1.99 -1.40 -3.47 116.97 109.31 1u4b h TYR 567 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1u4b h TYR 567 Cb 0.10 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 38.60 1u4b h TYR 567 CO 0.00 0.89 -0.06 -1.58 -0.00 0.00 0.00 178.16 177.41 1u4b s HIS 568 N -2.75 -0.64 0.48 4.88 2.46 -1.12 -5.03 115.29 113.57 1u4b s HIS 568 Ca 0.00 1.54 0.41 0.00 0.47 0.00 0.00 55.06 57.48 1u4b s HIS 568 Cb 0.09 0.24 2.10 0.00 -0.13 0.00 0.00 32.58 34.87 1u4b s HIS 568 CO 0.81 -0.31 2.24 1.49 -2.47 0.00 0.00 174.74 176.50 1u4b h GLU 569 N 5.42 0.00 -0.07 2.88 4.81 -1.92 -2.68 114.58 123.02 1u4b h GLU 569 Ca -0.28 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1u4b h GLU 569 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1u4b h GLU 569 CO 0.16 0.00 -0.33 0.97 -0.73 0.00 0.00 179.01 179.07 1u4b h ILE 570 N 0.00 1.26 -0.10 2.32 2.10 -1.92 -3.24 117.51 117.94 1u4b h ILE 570 Ca 0.00 -1.26 0.01 0.00 1.08 0.00 0.00 64.86 64.70 1u4b h ILE 570 Cb 0.15 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1u4b h ILE 570 CO 0.00 0.37 0.02 0.58 -1.08 0.00 0.00 178.15 178.04 1u4b h VAL 571 N 0.12 0.96 -0.33 2.19 2.07 -1.80 -0.76 116.25 118.70 1u4b h VAL 571 Ca 0.02 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1u4b h VAL 571 Cb 0.65 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u4b h VAL 571 CO 0.05 0.01 0.22 1.05 0.02 0.00 0.00 177.57 178.92 1u4b h GLU 572 N 0.06 0.38 -0.18 1.57 4.11 -1.75 -1.51 114.58 117.27 1u4b h GLU 572 Ca 0.04 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.27 1u4b h GLU 572 Cb 0.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1u4b h GLU 572 CO -0.06 0.25 -0.63 -0.91 0.07 0.00 0.00 179.01 177.74 1u4b h ASN 573 N 0.40 0.72 -0.64 3.06 2.35 -1.47 -2.04 115.58 117.95 1u4b h ASN 573 Ca 0.13 -0.42 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1u4b h ASN 573 Cb 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1u4b h ASN 573 CO -0.03 1.17 0.22 0.40 -1.65 0.00 0.00 177.43 177.53 1u4b h ILE 574 N 0.46 1.25 -0.58 2.81 1.08 -0.21 0.46 117.51 122.78 1u4b h ILE 574 Ca -0.01 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.61 1u4b h ILE 574 Cb 1.20 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 1u4b h ILE 574 CO 0.12 0.32 0.22 -0.07 -0.69 0.00 0.00 178.15 178.05 1u4b h LEU 575 N 0.92 0.81 -0.29 1.44 3.38 -1.25 0.25 115.31 120.56 1u4b h LEU 575 Ca 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u4b h LEU 575 Cb 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1u4b h LEU 575 CO -0.01 0.77 0.12 -0.74 0.09 0.00 0.00 178.44 178.67 1u4b h HIS 576 N 0.80 0.44 -0.76 1.13 2.76 -1.04 -1.14 115.15 117.36 1u4b h HIS 576 Ca 0.19 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1u4b h HIS 576 Cb 0.22 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 1u4b h HIS 576 CO 0.01 0.43 0.46 -0.92 -1.30 0.00 0.00 177.93 176.62 1u4b h TYR 577 N 0.33 0.86 -0.19 5.26 3.20 -0.66 -1.25 116.97 124.52 1u4b h TYR 577 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1u4b h TYR 577 Cb 0.17 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1u4b h TYR 577 CO -0.01 0.46 0.05 0.00 -1.64 0.00 0.00 178.16 177.02 1u4b h ARG 578 N 0.88 0.13 0.02 1.82 2.47 -0.52 0.26 114.38 119.43 1u4b h ARG 578 Ca 0.32 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.04 1u4b h ARG 578 Cb 0.10 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1u4b h ARG 578 CO -0.14 0.08 -0.09 0.37 0.56 0.00 0.00 179.97 180.75 1u4b h GLN 579 N 0.13 -0.15 -0.44 0.04 4.15 -0.59 -1.49 115.11 116.76 1u4b h GLN 579 Ca 0.08 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1u4b h GLN 579 Cb 0.07 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1u4b h GLN 579 CO -0.10 -0.10 0.14 -0.07 -1.93 0.00 0.00 178.83 176.77 1u4b h LEU 580 N -0.16 0.64 -1.19 -2.39 3.38 -1.10 -2.56 115.31 111.92 1u4b h LEU 580 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1u4b h LEU 580 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1u4b h LEU 580 CO -0.08 0.67 0.20 1.23 0.09 0.00 0.00 178.44 180.56 1u4b h GLY 581 N 0.57 0.82 0.89 0.83 0.00 -0.85 -0.50 103.07 104.83 1u4b h GLY 581 Ca 0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1u4b h GLY 581 CO -0.00 0.39 0.08 1.70 0.00 0.00 0.00 176.54 178.70 1u4b h LYS 582 N 0.75 0.43 -0.55 4.80 1.63 -1.11 -0.47 116.57 122.04 1u4b h LYS 582 Ca 0.18 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1u4b h LYS 582 Cb 0.17 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1u4b h LYS 582 CO -0.02 0.50 0.21 -0.07 -3.45 0.00 0.00 179.45 176.63 1u4b h LEU 583 N 0.27 0.77 0.45 5.20 3.38 -1.04 -1.86 115.31 122.49 1u4b h LEU 583 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1u4b h LEU 583 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1u4b h LEU 583 CO -0.00 0.74 -0.22 -0.61 0.09 0.00 0.00 178.44 178.44 1u4b h GLN 584 N 0.76 -0.59 0.01 1.13 5.75 -0.99 -0.09 115.11 121.10 1u4b h GLN 584 Ca 0.18 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1u4b h GLN 584 Cb 0.21 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1u4b h GLN 584 CO -0.01 -0.28 -0.01 0.77 -2.65 0.00 0.00 178.83 176.65 1u4b h SER 585 N -0.96 -0.01 0.08 -0.69 0.02 -1.15 -0.52 113.55 110.32 1u4b h SER 585 Ca -0.06 -0.49 -0.18 0.00 -0.84 0.00 0.00 61.79 60.22 1u4b h SER 585 Cb 0.58 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.14 1u4b h SER 585 CO 0.10 0.48 -0.75 0.74 -1.14 0.00 0.00 176.83 176.27 1u4b h THR 586 N -0.51 1.47 0.00 -2.27 2.02 -1.51 -3.14 112.91 108.96 1u4b h THR 586 Ca -0.00 -2.34 -0.12 0.00 0.77 0.00 0.00 66.41 64.72 1u4b h THR 586 Cb 0.50 2.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1u4b h THR 586 CO 0.00 0.67 -1.15 -1.22 0.37 0.00 0.00 175.52 174.19 1u4b n TYR 587 N -4.15 0.49 0.38 3.16 4.02 -1.06 -3.30 117.16 116.70 1u4b n TYR 587 Ca -0.12 0.21 -0.17 0.00 -0.01 0.00 0.00 57.90 57.80 1u4b n TYR 587 Cb 0.77 -0.78 -0.09 0.00 -0.02 0.00 0.00 39.34 39.22 1u4b n TYR 587 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1u4b h ILE 588 N -1.00 0.22 -0.56 -0.72 1.08 -1.01 -0.29 117.51 115.24 1u4b h ILE 588 Ca -0.18 -0.15 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 1u4b h ILE 588 Cb 1.00 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1u4b h ILE 588 CO -0.11 0.01 0.06 -0.33 -0.69 0.00 0.00 178.15 177.10 1u4b h GLU 589 N -1.08 0.94 -0.12 2.37 5.08 -1.25 -2.16 114.58 118.36 1u4b h GLU 589 Ca -0.10 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1u4b h GLU 589 Cb 0.76 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1u4b h GLU 589 CO 0.16 0.91 0.02 0.78 -1.00 0.00 0.00 179.01 179.89 1u4b h GLY 590 N 0.82 0.13 0.90 -3.84 0.00 -1.53 -1.82 103.07 97.73 1u4b h GLY 590 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1u4b h GLY 590 CO 0.02 0.00 0.03 1.41 0.00 0.00 0.00 176.54 178.00 1u4b h LEU 591 N 0.07 0.53 -2.11 3.11 3.38 -1.02 -2.85 115.31 116.42 1u4b h LEU 591 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1u4b h LEU 591 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1u4b h LEU 591 CO -0.07 0.68 -0.00 -0.07 0.09 0.00 0.00 178.44 179.06 1u4b h LEU 592 N 0.37 0.00 -0.77 1.67 3.38 -1.27 -1.34 115.31 117.35 1u4b h LEU 592 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1u4b h LEU 592 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1u4b h LEU 592 CO 0.01 0.00 -0.61 0.11 0.09 0.00 0.00 178.44 178.04 1u4b h LYS 593 N 0.00 0.00 -0.01 1.13 1.57 -1.09 -3.30 116.57 114.86 1u4b h LYS 593 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u4b h LYS 593 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1u4b h LYS 593 CO 0.00 0.61 -0.21 1.33 -0.57 0.00 0.00 179.45 180.61 1u4b n VAL 594 N -3.80 0.00 -2.23 0.50 0.24 -0.71 -4.97 118.33 107.36 1u4b n VAL 594 Ca -0.01 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 1u4b n VAL 594 Cb 0.61 1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 34.19 1u4b n VAL 594 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1u4b s VAL 595 N -1.70 3.01 -0.04 3.34 0.11 -0.59 -4.72 120.40 119.83 1u4b s VAL 595 Ca 0.15 0.98 -0.30 0.00 -2.93 0.00 0.00 61.98 59.88 1u4b s VAL 595 Cb 0.13 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1u4b s VAL 595 CO 0.33 0.22 1.34 -0.13 -3.33 0.00 0.00 175.10 173.53 1u4b s ARG 596 N -1.36 4.29 0.49 1.54 1.81 0.04 -4.92 118.95 120.83 1u4b s ARG 596 Ca 0.49 1.86 0.21 0.00 -1.72 0.00 0.00 55.73 56.58 1u4b s ARG 596 Cb -0.37 -3.61 1.24 0.00 -0.45 0.00 0.00 34.95 31.76 1u4b s ARG 596 CO 0.47 -0.57 1.97 -1.35 -0.68 0.00 0.00 175.30 175.14 1u4b h PRO 597 N 7.86 0.18 0.00 3.54 0.11 -1.92 0.21 132.00 141.98 1u4b h PRO 597 Ca -0.36 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1u4b h PRO 597 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1u4b h PRO 597 CO 0.91 0.12 -0.35 0.38 -0.21 0.00 0.00 178.00 178.84 1u4b h ASP 598 N 0.18 0.00 1.04 -2.05 2.03 -1.97 -3.39 116.42 112.25 1u4b h ASP 598 Ca 0.29 -0.44 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1u4b h ASP 598 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1u4b h ASP 598 CO -0.05 0.92 -0.64 0.71 -1.03 0.00 0.00 179.24 179.15 1u4b h THR 599 N -1.00 0.00 -1.82 1.15 1.35 -1.98 -3.47 112.91 107.14 1u4b h THR 599 Ca -0.07 -0.68 -0.31 0.00 -0.55 0.00 0.00 66.41 64.80 1u4b h THR 599 Cb 0.69 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 1u4b h THR 599 CO -0.04 0.00 -0.37 0.29 -0.25 0.00 0.00 175.52 175.15 1u4b n LYS 600 N -2.37 -1.20 -4.13 4.72 4.76 0.74 -4.84 118.16 115.85 1u4b n LYS 600 Ca 0.03 0.83 -0.26 0.00 -2.87 0.00 0.00 58.31 56.04 1u4b n LYS 600 Cb 0.48 -5.14 -0.06 0.00 -1.84 0.00 0.00 35.03 28.46 1u4b n LYS 600 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1u4b s LYS 601 N -4.39 2.73 -0.08 1.97 1.02 -1.25 -0.48 119.74 119.26 1u4b s LYS 601 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1u4b s LYS 601 Cb 0.00 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1u4b s LYS 601 CO 0.00 0.47 -0.10 0.14 -0.92 0.00 0.00 175.35 174.93 1u4b s VAL 602 N -1.79 3.39 -0.45 3.17 -7.23 -0.16 -0.78 120.40 116.56 1u4b s VAL 602 Ca 0.30 -0.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 1u4b s VAL 602 Cb -0.10 -2.39 0.12 0.00 0.56 0.00 0.00 36.38 34.57 1u4b s VAL 602 CO 0.22 0.57 0.17 -1.00 -0.31 0.00 0.00 175.10 174.75 1u4b s HIS 603 N -0.42 3.42 1.00 2.82 0.09 -1.26 -1.43 115.29 119.50 1u4b s HIS 603 Ca 0.06 -3.11 -0.12 0.00 -0.00 0.00 0.00 55.06 51.88 1u4b s HIS 603 Cb -0.12 -2.87 0.19 0.00 -0.00 0.00 0.00 32.58 29.78 1u4b s HIS 603 CO 0.02 -0.83 1.09 -0.08 -0.00 0.00 0.00 174.74 174.95 1u4b s THR 604 N 0.20 2.10 -0.13 1.30 -1.32 -1.26 -4.60 115.64 111.92 1u4b s THR 604 Ca 0.15 0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1u4b s THR 604 Cb -0.23 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1u4b s THR 604 CO -0.03 -0.04 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.59 1u4b s ILE 605 N -2.96 1.32 -0.33 5.08 1.01 -0.82 -4.69 121.20 119.82 1u4b s ILE 605 Ca 0.65 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1u4b s ILE 605 Cb -0.19 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 1u4b s ILE 605 CO 0.58 0.41 0.71 -0.36 0.00 0.00 0.00 174.94 176.27 1u4b s PHE 606 N 1.59 3.18 -0.39 3.97 0.40 -1.26 -1.77 117.98 123.69 1u4b s PHE 606 Ca 0.05 0.61 -0.27 0.00 -0.60 0.00 0.00 56.93 56.71 1u4b s PHE 606 Cb -0.13 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.25 1u4b s PHE 606 CO -0.10 -0.58 1.01 1.21 0.70 0.00 0.00 175.22 177.46 1u4b s ASN 607 N 1.70 6.70 0.00 1.36 3.84 0.00 -4.87 114.94 123.68 1u4b s ASN 607 Ca 0.29 0.61 0.25 0.00 0.21 0.00 0.00 52.86 54.22 1u4b s ASN 607 Cb -0.14 -2.50 0.57 0.00 -0.55 0.00 0.00 41.25 38.63 1u4b s ASN 607 CO 0.14 -0.97 1.45 1.67 -2.79 0.00 0.00 177.10 176.59 1u4b n GLN 608 N 7.08 0.70 -2.62 0.43 7.27 -1.26 -2.29 117.38 126.70 1u4b n GLN 608 Ca 0.09 -0.45 -0.18 0.00 0.07 0.00 0.00 57.00 56.53 1u4b n GLN 608 Cb 0.48 -1.49 0.01 0.00 2.41 0.00 0.00 30.24 31.65 1u4b n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u4b n ALA 609 N -0.76 4.10 0.03 1.69 0.00 -1.26 -4.88 120.51 119.43 1u4b n ALA 609 Ca 0.10 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1u4b n ALA 609 Cb 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1u4b n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u4b n LEU 610 N -0.23 0.21 -4.76 0.00 0.00 -1.26 -4.87 117.00 106.09 1u4b n LEU 610 Ca 0.23 0.10 -0.37 0.00 0.00 0.00 0.00 56.01 55.97 1u4b n LEU 610 Cb 0.73 -0.01 0.02 0.00 0.00 0.00 0.00 43.42 44.16 1u4b n LEU 610 CO 0.30 -0.39 0.87 0.42 0.00 0.00 0.00 177.39 178.58 1u4b s THR 611 N -2.00 2.62 -0.91 1.96 -4.23 -1.26 -4.92 115.64 106.91 1u4b s THR 611 Ca 0.00 0.43 0.23 0.00 -1.18 0.00 0.00 61.69 61.17 1u4b s THR 611 Cb 0.00 -3.19 0.21 0.00 1.34 0.00 0.00 72.50 70.85 1u4b s THR 611 CO 0.00 -0.05 1.73 0.00 -0.54 0.00 0.00 174.62 175.76 1u4b n GLN 612 N -1.17 0.06 -0.00 3.99 1.13 -1.26 -3.53 117.38 116.59 1u4b n GLN 612 Ca 0.11 0.16 0.06 0.00 -1.94 0.00 0.00 57.00 55.39 1u4b n GLN 612 Cb 0.48 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.17 1u4b n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1u4b n THR 613 N -1.69 0.00 0.00 5.09 -2.24 -1.26 -4.82 114.28 109.36 1u4b n THR 613 Ca 0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1u4b n THR 613 Cb 0.28 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1u4b n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u4b n GLY 614 N 1.40 0.73 3.80 3.38 0.00 -1.23 -3.95 105.19 109.32 1u4b n GLY 614 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1u4b n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4b s ARG 615 N -0.53 1.99 0.47 1.61 0.52 -1.26 -4.82 118.95 116.94 1u4b s ARG 615 Ca 0.00 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 1u4b s ARG 615 Cb 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1u4b s ARG 615 CO 0.00 -1.69 0.70 -0.51 0.02 0.00 0.00 175.30 173.82 1u4b s LEU 616 N -5.82 3.57 0.18 2.53 1.43 -1.26 -4.24 118.68 115.07 1u4b s LEU 616 Ca 0.61 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1u4b s LEU 616 Cb -0.15 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1u4b s LEU 616 CO 0.54 -0.79 -0.06 -0.94 0.23 0.00 0.00 176.35 175.33 1u4b s SER 617 N -4.25 1.86 -0.02 2.29 1.04 -0.97 -4.94 113.70 108.70 1u4b s SER 617 Ca 0.50 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1u4b s SER 617 Cb -0.10 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1u4b s SER 617 CO 0.38 -0.40 -0.10 -0.55 0.98 0.00 0.00 173.24 173.56 1u4b s SER 618 N -3.23 1.27 0.05 7.02 0.15 -1.26 -0.82 113.70 116.88 1u4b s SER 618 Ca 0.22 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1u4b s SER 618 Cb 0.04 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1u4b s SER 618 CO 0.04 0.09 0.00 0.42 1.20 0.00 0.00 173.24 175.00 1u4b s THR 619 N 0.02 0.20 -1.12 6.45 -4.23 -0.73 -4.09 115.64 112.13 1u4b s THR 619 Ca -0.00 -1.62 -0.27 0.00 -1.18 0.00 0.00 61.69 58.62 1u4b s THR 619 Cb -0.07 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1u4b s THR 619 CO 0.00 -0.90 0.67 -0.62 -0.54 0.00 0.00 174.62 173.24 1u4b n GLU 620 N 0.24 -0.56 -3.54 3.99 1.02 -1.26 -1.94 120.64 118.58 1u4b n GLU 620 Ca -0.15 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 1u4b n GLU 620 Cb 0.61 -2.54 -0.01 0.00 -0.02 0.00 0.00 31.44 29.47 1u4b n GLU 620 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1u4b s PRO 621 N -6.82 3.39 -0.33 3.49 0.04 -1.26 -4.32 135.00 129.19 1u4b s PRO 621 Ca 0.38 -0.56 -0.29 0.00 0.04 0.00 0.00 61.00 60.57 1u4b s PRO 621 Cb -0.21 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1u4b s PRO 621 CO 0.95 0.19 1.15 1.21 0.04 0.00 0.00 177.00 180.54 1u4b s ASN 622 N -4.05 6.83 -0.12 6.66 3.84 -1.26 -4.62 114.94 122.22 1u4b s ASN 622 Ca 0.39 1.04 0.17 0.00 0.21 0.00 0.00 52.86 54.67 1u4b s ASN 622 Cb -0.09 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.69 1u4b s ASN 622 CO 0.33 -0.98 1.54 0.18 -2.79 0.00 0.00 177.10 175.39 1u4b n LEU 623 N 7.18 4.40 -0.79 3.21 4.77 -1.26 -4.27 117.00 130.23 1u4b n LEU 623 Ca 0.13 -2.53 0.09 0.00 -0.03 0.00 0.00 56.01 53.67 1u4b n LEU 623 Cb 0.47 -0.53 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 1u4b n LEU 623 CO 0.62 0.76 0.58 0.00 -1.33 0.00 0.00 177.39 178.02 1u4b n GLN 624 N 0.68 1.86 -1.98 3.23 6.02 -1.26 -4.47 117.38 121.46 1u4b n GLN 624 Ca 0.23 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 1u4b n GLN 624 Cb 0.84 -1.36 0.05 0.00 1.02 0.00 0.00 30.24 30.79 1u4b n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u4b n ASN 625 N 1.02 1.61 -4.74 1.08 6.94 -1.26 -5.04 115.26 114.88 1u4b n ASN 625 Ca 0.13 -2.33 -0.41 0.00 -0.02 0.00 0.00 54.58 51.94 1u4b n ASN 625 Cb 0.46 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1u4b n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u4b s ILE 626 N -2.16 3.68 0.39 1.53 -1.09 -1.26 -4.96 121.20 117.33 1u4b s ILE 626 Ca 0.33 1.40 -0.24 0.00 -2.23 0.00 0.00 60.65 59.91 1u4b s ILE 626 Cb 0.36 -3.89 -0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1u4b s ILE 626 CO -0.09 0.22 0.80 -2.65 -1.23 0.00 0.00 174.94 171.98 1u4b n PRO 627 N 2.61 0.95 0.00 2.79 -0.02 -1.26 -4.91 135.00 135.17 1u4b n PRO 627 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1u4b n PRO 627 Cb 0.45 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1u4b n PRO 627 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1u4b n ILE 628 N -0.51 0.00 0.02 4.25 3.06 -1.26 -4.03 119.36 120.88 1u4b n ILE 628 Ca 0.11 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.24 1u4b n ILE 628 Cb 0.37 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.49 1u4b n ILE 628 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1u4b h ARG 629 N 0.00 0.07 -5.30 9.51 2.43 -1.97 -3.42 114.38 115.70 1u4b h ARG 629 Ca 0.00 -0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.56 1u4b h ARG 629 Cb 0.00 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.42 1u4b h ARG 629 CO 0.00 0.07 -0.47 -0.51 -1.51 0.00 0.00 179.97 177.55 1u4b s LEU 630 N -10.15 4.22 0.29 3.80 1.43 -1.26 -5.00 118.68 112.01 1u4b s LEU 630 Ca -0.13 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1u4b s LEU 630 Cb 0.06 -2.12 0.73 0.00 0.03 0.00 0.00 46.19 44.89 1u4b s LEU 630 CO 0.67 0.18 1.66 -0.08 0.23 0.00 0.00 176.35 179.01 1u4b h GLU 631 N 6.64 0.27 -0.32 1.70 4.57 -1.98 -0.23 114.58 125.22 1u4b h GLU 631 Ca -0.41 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 57.81 1u4b h GLU 631 Cb 1.15 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 1u4b h GLU 631 CO 0.76 0.18 -0.02 0.93 -1.18 0.00 0.00 179.01 179.67 1u4b h GLU 632 N 0.27 0.06 0.02 1.92 3.07 -1.96 -2.07 114.58 115.89 1u4b h GLU 632 Ca 0.56 -0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.21 1u4b h GLU 632 Cb 1.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1u4b h GLU 632 CO -0.61 0.04 -0.93 0.78 -1.40 0.00 0.00 179.01 176.89 1u4b h GLY 633 N 0.06 0.23 0.89 -3.84 0.00 -1.73 -3.24 103.07 95.45 1u4b h GLY 633 Ca 0.15 -0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.15 1u4b h GLY 633 CO -0.28 0.39 0.47 -0.09 0.00 0.00 0.00 176.54 177.02 1u4b h ARG 634 N 0.11 0.52 0.00 4.80 2.43 -0.54 -0.40 114.38 121.29 1u4b h ARG 634 Ca -0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1u4b h ARG 634 Cb 1.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1u4b h ARG 634 CO 0.14 0.34 0.05 0.87 -1.51 0.00 0.00 179.97 179.87 1u4b h LYS 635 N 0.53 0.00 -0.51 0.20 1.57 -1.41 -0.57 116.57 116.38 1u4b h LYS 635 Ca 0.33 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1u4b h LYS 635 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1u4b h LYS 635 CO -0.11 0.00 0.34 0.82 -0.57 0.00 0.00 179.45 179.93 1u4b h ILE 636 N 0.00 0.96 0.00 1.86 1.08 -1.26 -0.82 117.51 119.33 1u4b h ILE 636 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1u4b h ILE 636 Cb 0.11 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1u4b h ILE 636 CO 0.00 0.08 0.00 0.54 -0.69 0.00 0.00 178.15 178.08 1u4b n ARG 637 N -4.47 0.07 0.17 2.37 1.74 -0.22 -1.46 116.66 114.86 1u4b n ARG 637 Ca 0.07 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.71 1u4b n ARG 637 Cb 0.27 -1.67 0.50 0.00 -1.02 0.00 0.00 32.46 30.54 1u4b n ARG 637 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1u4b h GLN 638 N 0.00 0.00 -0.00 5.56 4.20 -1.33 -2.47 115.11 121.07 1u4b h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u4b h GLN 638 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1u4b h GLN 638 CO 0.00 0.00 -0.17 0.00 -0.67 0.00 0.00 178.83 177.99 1u4b n ALA 639 N -1.88 2.85 -2.50 3.87 0.00 -0.53 -4.67 120.51 117.65 1u4b n ALA 639 Ca 0.02 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1u4b n ALA 639 Cb 0.31 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1u4b n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u4b s PHE 640 N -2.65 3.22 0.32 0.00 0.08 -1.01 0.24 117.98 118.18 1u4b s PHE 640 Ca 0.23 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1u4b s PHE 640 Cb 0.19 -2.61 -0.06 0.00 -0.57 0.00 0.00 43.02 39.97 1u4b s PHE 640 CO 0.53 -0.51 0.00 0.14 -0.10 0.00 0.00 175.22 175.28 1u4b s VAL 641 N 1.80 1.51 0.61 -0.44 -7.23 -0.71 -1.39 120.40 114.56 1u4b s VAL 641 Ca 0.07 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1u4b s VAL 641 Cb -0.18 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1u4b s VAL 641 CO 0.11 -0.12 1.25 -2.84 -0.31 0.00 0.00 175.10 173.19 1u4b s PRO 642 N -3.79 2.80 0.00 4.82 0.02 -1.26 -3.74 135.00 133.85 1u4b s PRO 642 Ca 0.33 1.95 0.28 0.00 0.02 0.00 0.00 61.00 63.58 1u4b s PRO 642 Cb 0.07 -1.91 1.05 0.00 0.02 0.00 0.00 34.50 33.73 1u4b s PRO 642 CO 0.15 -1.37 1.80 -1.13 -0.33 0.00 0.00 177.00 176.11 1u4b n SER 643 N -1.69 0.13 -4.20 2.53 3.41 -1.26 -4.81 113.62 107.73 1u4b n SER 643 Ca 0.14 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1u4b n SER 643 Cb 0.49 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 1u4b n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u4b s GLU 644 N -3.00 0.91 0.32 4.33 2.02 -1.26 -5.04 118.70 116.98 1u4b s GLU 644 Ca 0.13 -1.38 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 1u4b s GLU 644 Cb 0.19 -0.32 -0.10 0.00 0.10 0.00 0.00 34.13 33.99 1u4b s GLU 644 CO 0.57 -0.00 1.34 -1.12 0.02 0.00 0.00 175.26 176.07 1u4b s SER 645 N -3.09 6.72 -1.44 -0.19 0.01 -1.26 -3.05 113.70 111.40 1u4b s SER 645 Ca 0.14 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.11 1u4b s SER 645 Cb 0.05 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1u4b s SER 645 CO -0.03 -0.59 0.00 0.47 0.41 0.00 0.00 173.24 173.50 1u4b n ASP 646 N 1.02 -4.93 -4.75 2.44 8.00 -1.26 -4.97 116.55 112.10 1u4b n ASP 646 Ca 0.01 -0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.28 1u4b n ASP 646 Cb 0.41 -4.03 -0.06 0.00 -0.02 0.00 0.00 41.12 37.43 1u4b n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u4b s TRP 647 N -2.82 2.77 0.14 1.24 0.52 -1.17 -1.39 118.94 118.22 1u4b s TRP 647 Ca 0.00 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.80 1u4b s TRP 647 Cb 0.00 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1u4b s TRP 647 CO 0.00 0.36 0.01 -0.51 0.02 0.00 0.00 176.95 176.83 1u4b s LEU 648 N -3.85 2.10 -0.12 2.99 1.43 0.49 -4.77 118.68 116.94 1u4b s LEU 648 Ca 0.37 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 1u4b s LEU 648 Cb -0.04 0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 1u4b s LEU 648 CO 0.23 -0.61 0.30 -0.63 0.23 0.00 0.00 176.35 175.87 1u4b s ILE 649 N -3.80 5.28 -0.11 -0.59 -1.09 -0.03 -1.64 121.20 119.22 1u4b s ILE 649 Ca 0.20 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.21 1u4b s ILE 649 Cb 0.07 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1u4b s ILE 649 CO 0.01 0.46 -0.18 0.12 -1.23 0.00 0.00 174.94 174.11 1u4b s PHE 650 N -0.05 2.19 -0.08 3.97 5.36 0.22 -1.25 117.98 128.34 1u4b s PHE 650 Ca 0.18 -1.00 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 1u4b s PHE 650 Cb -0.14 -1.53 0.01 0.00 -0.34 0.00 0.00 43.02 41.03 1u4b s PHE 650 CO 0.06 -0.47 -0.15 0.00 -1.46 0.00 0.00 175.22 173.20 1u4b s ALA 651 N 0.78 1.50 -0.06 11.12 0.00 0.23 -0.25 121.76 135.08 1u4b s ALA 651 Ca -0.10 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1u4b s ALA 651 Cb -0.16 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 1u4b s ALA 651 CO 0.01 0.09 -0.20 0.00 0.00 0.00 0.00 175.76 175.66 1u4b s ALA 652 N 0.71 1.78 0.01 0.00 0.00 -0.40 -1.12 121.76 122.75 1u4b s ALA 652 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1u4b s ALA 652 Cb -0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1u4b s ALA 652 CO 0.03 0.31 -0.07 0.16 0.00 0.00 0.00 175.76 176.19 1u4b s ASP 653 N 0.06 0.83 0.30 0.00 1.47 0.05 -0.80 116.67 118.59 1u4b s ASP 653 Ca -0.06 -0.28 -0.29 0.00 1.18 0.00 0.00 52.55 53.10 1u4b s ASP 653 Cb -0.13 -0.04 -0.10 0.00 -0.34 0.00 0.00 42.92 42.31 1u4b s ASP 653 CO 0.04 -0.02 1.15 -0.31 0.68 0.00 0.00 175.17 176.71 1u4b s TYR 654 N -0.59 3.42 -0.35 2.11 1.51 -0.19 -0.89 117.35 122.37 1u4b s TYR 654 Ca -0.02 1.63 -0.19 0.00 -1.01 0.00 0.00 57.07 57.47 1u4b s TYR 654 Cb -0.05 -3.38 -0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1u4b s TYR 654 CO 0.00 -0.89 0.59 0.45 -1.11 0.00 0.00 175.55 174.59 1u4b s SER 655 N -0.83 6.39 -1.41 2.29 0.15 0.63 -4.42 113.70 116.51 1u4b s SER 655 Ca 0.47 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 1u4b s SER 655 Cb -0.33 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1u4b s SER 655 CO 0.43 -0.54 0.51 0.00 1.20 0.00 0.00 173.24 174.85 1u4b n GLN 656 N 5.91 -3.68 -0.21 5.44 1.13 -1.26 -4.62 117.38 120.09 1u4b n GLN 656 Ca -0.03 0.45 -0.02 0.00 -1.94 0.00 0.00 57.00 55.46 1u4b n GLN 656 Cb 0.49 -4.73 0.18 0.00 0.11 0.00 0.00 30.24 26.29 1u4b n GLN 656 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1u4b h ILE 657 N -1.83 1.22 -0.53 5.09 2.10 -1.93 -1.94 117.51 119.69 1u4b h ILE 657 Ca -0.62 -0.63 -0.04 0.00 1.08 0.00 0.00 64.86 64.65 1u4b h ILE 657 Cb 1.37 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.40 1u4b h ILE 657 CO 0.62 0.27 0.17 -0.33 -1.08 0.00 0.00 178.15 177.80 1u4b h GLU 658 N 1.00 0.82 -0.04 2.19 5.08 -1.90 0.97 114.58 122.70 1u4b h GLU 658 Ca 0.25 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1u4b h GLU 658 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1u4b h GLU 658 CO -0.03 0.75 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.16 1u4b h LEU 659 N 0.73 0.11 -0.46 1.33 3.38 -1.92 -0.86 115.31 117.62 1u4b h LEU 659 Ca 0.17 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1u4b h LEU 659 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u4b h LEU 659 CO -0.01 0.60 -0.42 0.03 0.09 0.00 0.00 178.44 178.73 1u4b h ARG 660 N 0.08 0.81 -0.66 1.13 3.08 -0.96 -0.59 114.38 117.27 1u4b h ARG 660 Ca 0.00 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 1u4b h ARG 660 Cb 0.92 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1u4b h ARG 660 CO 0.07 1.07 0.18 0.28 -1.07 0.00 0.00 179.97 180.50 1u4b h VAL 661 N 0.65 1.26 -0.60 2.04 2.07 -0.55 -1.69 116.25 119.43 1u4b h VAL 661 Ca 0.05 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1u4b h VAL 661 Cb 0.99 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1u4b h VAL 661 CO 0.09 0.35 0.31 0.25 0.02 0.00 0.00 177.57 178.60 1u4b h LEU 662 N 0.97 0.76 -0.66 2.57 5.85 -0.89 -0.14 115.31 123.77 1u4b h LEU 662 Ca 0.21 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1u4b h LEU 662 Cb 0.34 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1u4b h LEU 662 CO -0.00 0.65 0.38 0.00 -0.34 0.00 0.00 178.44 179.12 1u4b h ALA 663 N 1.14 0.87 0.30 1.25 0.00 -0.75 0.22 119.26 122.29 1u4b h ALA 663 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1u4b h ALA 663 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u4b h ALA 663 CO -0.03 0.07 -0.15 1.25 0.00 0.00 0.00 179.25 180.40 1u4b h HIS 664 N 0.71 -0.38 -0.28 0.00 -0.00 -0.79 -0.40 115.15 114.00 1u4b h HIS 664 Ca 0.29 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.54 1u4b h HIS 664 Cb 0.14 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1u4b h HIS 664 CO -0.07 -0.13 -0.26 0.82 -0.00 0.00 0.00 177.93 178.30 1u4b h ILE 665 N -0.57 1.27 0.00 6.26 2.04 -0.84 -3.00 117.51 122.67 1u4b h ILE 665 Ca -0.04 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1u4b h ILE 665 Cb 0.42 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1u4b h ILE 665 CO 0.07 0.42 -0.47 0.00 0.00 0.00 0.00 178.15 178.17 1u4b h ALA 666 N 1.24 0.74 -6.24 1.87 0.00 -1.01 -3.48 119.26 112.38 1u4b h ALA 666 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.52 1u4b h ALA 666 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1u4b h ALA 666 CO 0.05 0.00 -0.79 0.39 0.00 0.00 0.00 179.25 178.90 1u4b n GLU 667 N -2.62 -5.22 -2.76 0.00 1.02 -0.16 -4.65 120.64 106.23 1u4b n GLU 667 Ca 0.03 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.34 1u4b n GLU 667 Cb 0.50 -5.34 -0.03 0.00 -0.02 0.00 0.00 31.44 26.55 1u4b n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u4b s ASP 668 N -3.73 6.83 0.23 1.62 -1.08 -1.21 -4.88 116.67 114.45 1u4b s ASP 668 Ca 0.40 0.90 -0.06 0.00 -0.52 0.00 0.00 52.55 53.27 1u4b s ASP 668 Cb -0.20 -2.49 0.34 0.00 -1.46 0.00 0.00 42.92 39.11 1u4b s ASP 668 CO 0.83 -0.76 1.80 0.44 0.52 0.00 0.00 175.17 178.00 1u4b h ASP 669 N 8.07 0.60 -0.30 -0.34 3.32 -1.92 0.17 116.42 126.02 1u4b h ASP 669 Ca -0.22 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1u4b h ASP 669 Cb 1.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1u4b h ASP 669 CO 0.97 0.36 -0.12 -1.13 -1.72 0.00 0.00 179.24 177.60 1u4b h ASN 670 N 0.73 0.62 -0.36 6.45 -1.24 -1.92 -1.47 115.58 118.39 1u4b h ASN 670 Ca 0.36 -0.39 -0.14 0.00 0.71 0.00 0.00 56.30 56.84 1u4b h ASN 670 Cb 0.31 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1u4b h ASN 670 CO -0.23 0.87 -0.31 0.25 -1.29 0.00 0.00 177.43 176.72 1u4b h LEU 671 N 0.37 0.93 -0.62 0.34 5.85 -1.83 -1.75 115.31 118.60 1u4b h LEU 671 Ca 0.07 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1u4b h LEU 671 Cb 0.62 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1u4b h LEU 671 CO 0.04 1.16 0.10 0.24 -0.34 0.00 0.00 178.44 179.64 1u4b h MET 672 N 0.75 1.03 -0.67 1.25 2.86 -0.94 -2.59 114.93 116.63 1u4b h MET 672 Ca 0.08 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1u4b h MET 672 Cb 0.88 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1u4b h MET 672 CO 0.08 0.97 0.17 1.49 1.06 0.00 0.00 176.91 180.68 1u4b h GLU 673 N 0.94 1.04 -0.45 1.72 4.57 -1.15 -0.64 114.58 120.62 1u4b h GLU 673 Ca 0.19 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1u4b h GLU 673 Cb 0.44 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1u4b h GLU 673 CO 0.01 0.91 0.21 0.00 -1.18 0.00 0.00 179.01 178.96 1u4b h ALA 674 N 1.19 0.56 0.00 2.92 0.00 -0.97 -1.27 119.26 121.68 1u4b h ALA 674 Ca 0.21 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1u4b h ALA 674 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1u4b h ALA 674 CO -0.00 -0.16 -0.62 0.74 0.00 0.00 0.00 179.25 179.21 1u4b h PHE 675 N 0.41 0.00 0.00 0.00 -1.00 -1.19 -1.61 116.94 113.55 1u4b h PHE 675 Ca 0.20 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 1u4b h PHE 675 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1u4b h PHE 675 CO -0.12 0.62 -0.20 0.00 -1.61 0.00 0.00 178.31 177.00 1u4b h ARG 676 N 0.00 0.00 -0.02 1.51 3.08 -0.50 -0.34 114.38 118.12 1u4b h ARG 676 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1u4b h ARG 676 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1u4b h ARG 676 CO 0.08 0.20 -0.00 0.54 -1.07 0.00 0.00 179.97 179.72 1u4b n ARG 677 N -3.77 1.90 -3.95 0.04 1.74 -0.54 -4.95 116.66 107.14 1u4b n ARG 677 Ca -0.02 -1.32 -0.28 0.00 -0.77 0.00 0.00 57.85 55.47 1u4b n ARG 677 Cb 0.31 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1u4b n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u4b n ASP 678 N 0.60 -2.07 -4.83 0.55 2.03 -0.14 -4.95 116.55 107.75 1u4b n ASP 678 Ca 0.17 -0.92 -0.30 0.00 0.52 0.00 0.00 54.79 54.26 1u4b n ASP 678 Cb 0.44 -3.37 0.07 0.00 -0.72 0.00 0.00 41.12 37.54 1u4b n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1u4b s LEU 679 N -7.04 2.82 -0.45 -2.67 1.43 -0.66 -4.95 118.68 107.16 1u4b s LEU 679 Ca 0.30 1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 1u4b s LEU 679 Cb -0.16 -4.10 0.01 0.00 0.03 0.00 0.00 46.19 41.98 1u4b s LEU 679 CO 0.87 -1.65 1.43 -0.62 0.23 0.00 0.00 176.35 176.60 1u4b s ASP 680 N -3.98 6.25 0.47 2.29 3.68 -1.26 -4.87 116.67 119.26 1u4b s ASP 680 Ca 0.59 0.70 0.15 0.00 2.13 0.00 0.00 52.55 56.11 1u4b s ASP 680 Cb -0.13 -2.54 1.10 0.00 -1.45 0.00 0.00 42.92 39.89 1u4b s ASP 680 CO 0.54 -1.52 2.05 -0.29 0.13 0.00 0.00 175.17 176.08 1u4b h ILE 681 N 6.47 1.08 -0.00 4.11 6.09 -1.94 -0.85 117.51 132.46 1u4b h ILE 681 Ca -0.27 -0.37 -0.23 0.00 -1.37 0.00 0.00 64.86 62.62 1u4b h ILE 681 Cb 1.10 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.57 1u4b h ILE 681 CO 1.11 0.11 -0.95 0.45 -3.07 0.00 0.00 178.15 175.80 1u4b h HIS 682 N 0.02 0.67 -0.39 2.19 3.86 -1.93 -1.07 115.15 118.50 1u4b h HIS 682 Ca 0.00 -0.36 -0.15 0.00 -1.16 0.00 0.00 60.37 58.70 1u4b h HIS 682 Cb 0.18 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1u4b h HIS 682 CO 0.00 1.18 -0.34 1.15 0.86 0.00 0.00 177.93 180.78 1u4b h THR 683 N 0.26 1.27 -0.46 2.45 2.02 -1.81 -1.44 112.91 115.20 1u4b h THR 683 Ca -0.08 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1u4b h THR 683 Cb 1.58 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1u4b h THR 683 CO 0.17 0.51 0.26 0.50 0.37 0.00 0.00 175.52 177.33 1u4b h LYS 684 N 0.75 0.63 -0.67 6.66 1.63 -1.12 -0.50 116.57 123.95 1u4b h LYS 684 Ca 0.07 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1u4b h LYS 684 Cb 0.92 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 1u4b h LYS 684 CO 0.09 0.48 0.18 1.15 -3.45 0.00 0.00 179.45 177.89 1u4b h THR 685 N 0.60 1.25 -0.48 1.00 2.02 -1.05 -2.15 112.91 114.11 1u4b h THR 685 Ca 0.16 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1u4b h THR 685 Cb 0.02 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1u4b h THR 685 CO -0.03 0.35 0.18 0.00 0.37 0.00 0.00 175.52 176.40 1u4b h ALA 686 N 1.17 0.63 -0.48 6.16 0.00 -0.84 -0.83 119.26 125.08 1u4b h ALA 686 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1u4b h ALA 686 Cb 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1u4b h ALA 686 CO -0.00 0.26 0.22 0.52 0.00 0.00 0.00 179.25 180.24 1u4b h MET 687 N 0.64 0.42 0.07 0.00 2.07 -0.77 -1.00 114.93 116.36 1u4b h MET 687 Ca 0.16 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1u4b h MET 687 Cb 0.22 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 1u4b h MET 687 CO -0.01 0.28 -0.03 -0.44 1.07 0.00 0.00 176.91 177.77 1u4b h ASP 688 N 0.43 -0.08 0.78 1.22 3.32 -1.15 -1.11 116.42 119.83 1u4b h ASP 688 Ca 0.22 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 1u4b h ASP 688 Cb 0.16 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1u4b h ASP 688 CO -0.18 0.41 -0.46 0.16 -1.72 0.00 0.00 179.24 177.46 1u4b h ILE 689 N -0.59 1.07 -0.10 0.35 3.07 -1.14 -3.08 117.51 117.08 1u4b h ILE 689 Ca -0.01 -1.72 0.00 0.00 1.55 0.00 0.00 64.86 64.68 1u4b h ILE 689 Cb 0.50 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 1u4b h ILE 689 CO 0.02 0.45 0.00 0.49 -1.05 0.00 0.00 178.15 178.05 1u4b n PHE 690 N -3.62 0.10 -3.64 0.16 3.72 -0.38 -4.91 117.46 108.88 1u4b n PHE 690 Ca -0.01 -0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1u4b n PHE 690 Cb 0.55 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.13 1u4b n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1u4b n GLN 691 N 1.25 -1.41 -4.17 -1.08 6.02 -0.48 -5.02 117.38 112.48 1u4b n GLN 691 Ca 0.14 0.50 -0.10 0.00 -0.01 0.00 0.00 57.00 57.52 1u4b n GLN 691 Cb 0.55 -4.31 -0.10 0.00 1.02 0.00 0.00 30.24 27.39 1u4b n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1u4b s VAL 692 N -3.47 0.48 0.77 5.09 -7.23 -0.82 -5.05 120.40 110.17 1u4b s VAL 692 Ca 0.46 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1u4b s VAL 692 Cb -0.15 -1.84 0.05 0.00 0.56 0.00 0.00 36.38 35.00 1u4b s VAL 692 CO 0.85 -0.71 1.12 -0.94 -0.31 0.00 0.00 175.10 175.11 1u4b s SER 693 N -3.06 4.82 0.24 4.85 1.04 -1.26 -4.56 113.70 115.78 1u4b s SER 693 Ca 0.17 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 1u4b s SER 693 Cb 0.06 -1.79 0.41 0.00 0.10 0.00 0.00 66.02 64.81 1u4b s SER 693 CO -0.02 -1.74 1.79 -0.08 0.98 0.00 0.00 173.24 174.17 1u4b h GLU 694 N -0.93 0.68 0.00 4.02 4.81 -1.96 0.02 114.58 121.22 1u4b h GLU 694 Ca -0.46 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1u4b h GLU 694 Cb 1.28 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1u4b h GLU 694 CO 0.63 0.45 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.82 1u4b h ASP 695 N 0.70 0.00 0.88 1.04 3.45 -2.01 -2.45 116.42 118.02 1u4b h ASP 695 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1u4b h ASP 695 Cb 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1u4b h ASP 695 CO -0.28 0.09 -0.35 -0.62 -1.57 0.00 0.00 179.24 176.51 1u4b n GLU 696 N -3.48 0.14 -2.11 3.56 1.02 -0.03 -4.84 120.64 114.89 1u4b n GLU 696 Ca -0.02 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 1u4b n GLU 696 Cb 0.23 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1u4b n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u4b s VAL 697 N -3.07 3.71 0.48 2.62 1.01 -0.93 -4.92 120.40 119.31 1u4b s VAL 697 Ca 0.10 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 1u4b s VAL 697 Cb 0.16 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1u4b s VAL 697 CO 0.65 -0.23 0.74 0.42 0.00 0.00 0.00 175.10 176.68 1u4b s THR 698 N 4.86 4.16 0.26 3.92 -4.23 -1.26 -4.93 115.64 118.42 1u4b s THR 698 Ca 0.71 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1u4b s THR 698 Cb -0.26 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.26 1u4b s THR 698 CO 0.28 -0.48 1.87 -0.65 -0.54 0.00 0.00 174.62 175.10 1u4b h PRO 699 N 0.24 1.09 -0.49 3.99 0.11 -2.00 -1.57 132.00 133.37 1u4b h PRO 699 Ca -0.46 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1u4b h PRO 699 Cb 1.24 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1u4b h PRO 699 CO 0.59 0.72 0.08 -0.97 -0.21 0.00 0.00 178.00 178.22 1u4b h ASN 700 N 1.12 0.72 -0.45 -2.05 -1.24 -1.99 -1.27 115.58 110.41 1u4b h ASN 700 Ca 0.42 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.24 1u4b h ASN 700 Cb 0.19 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1u4b h ASN 700 CO -0.18 0.73 0.04 0.24 -1.29 0.00 0.00 177.43 176.97 1u4b h MET 701 N 0.73 0.78 -0.67 6.67 2.86 -1.72 -1.96 114.93 121.62 1u4b h MET 701 Ca 0.16 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1u4b h MET 701 Cb 0.33 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1u4b h MET 701 CO 0.00 0.82 0.16 -0.09 1.06 0.00 0.00 176.91 178.86 1u4b h ARG 702 N 0.63 1.06 -0.51 1.72 2.43 -0.92 -0.85 114.38 117.96 1u4b h ARG 702 Ca 0.13 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1u4b h ARG 702 Cb 0.44 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1u4b h ARG 702 CO 0.02 0.95 0.32 -0.09 -1.51 0.00 0.00 179.97 179.65 1u4b h ARG 703 N 1.01 0.68 -0.14 0.20 2.43 -1.05 -0.26 114.38 117.25 1u4b h ARG 703 Ca 0.21 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1u4b h ARG 703 Cb 0.36 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1u4b h ARG 703 CO 0.00 0.48 -0.54 1.96 -1.51 0.00 0.00 179.97 180.36 1u4b h GLN 704 N 0.68 0.41 -0.15 0.20 4.20 -1.12 -2.47 115.11 116.85 1u4b h GLN 704 Ca 0.18 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1u4b h GLN 704 Cb -0.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1u4b h GLN 704 CO -0.04 0.85 -0.37 0.00 -0.67 0.00 0.00 178.83 178.60 1u4b h ALA 705 N 1.10 1.09 -0.60 3.87 0.00 -0.83 -1.67 119.26 122.23 1u4b h ALA 705 Ca 0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1u4b h ALA 705 Cb 1.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1u4b h ALA 705 CO 0.09 0.58 0.08 -0.22 0.00 0.00 0.00 179.25 179.78 1u4b h LYS 706 N 0.28 1.00 -0.50 0.00 3.64 -0.86 -0.42 116.57 119.71 1u4b h LYS 706 Ca 0.03 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1u4b h LYS 706 Cb 0.78 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1u4b h LYS 706 CO 0.06 0.96 0.06 0.00 -2.27 0.00 0.00 179.45 178.25 1u4b h ALA 707 N 1.01 1.16 -0.47 5.00 0.00 -1.08 -1.41 119.26 123.47 1u4b h ALA 707 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1u4b h ALA 707 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u4b h ALA 707 CO 0.02 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.20 1u4b h VAL 708 N 0.76 1.24 -0.54 0.00 2.07 -0.84 -1.60 116.25 117.34 1u4b h VAL 708 Ca 0.16 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1u4b h VAL 708 Cb 0.38 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1u4b h VAL 708 CO 0.01 0.30 0.19 0.78 0.02 0.00 0.00 177.57 178.88 1u4b h ASN 709 N 0.63 0.72 -0.45 0.57 2.35 -0.55 -0.41 115.58 118.44 1u4b h ASN 709 Ca 0.15 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1u4b h ASN 709 Cb 0.35 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1u4b h ASN 709 CO 0.00 0.67 -0.00 -0.26 -1.65 0.00 0.00 177.43 176.19 1u4b h PHE 710 N 0.77 0.87 -0.71 1.19 0.04 -1.03 -2.58 116.94 115.50 1u4b h PHE 710 Ca 0.18 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1u4b h PHE 710 Cb 0.19 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1u4b h PHE 710 CO 0.01 0.85 0.33 0.78 -0.60 0.00 0.00 178.31 179.68 1u4b h GLY 711 N 0.65 1.09 1.00 -1.45 0.00 -0.70 -0.95 103.07 102.72 1u4b h GLY 711 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1u4b h GLY 711 CO 0.02 0.51 0.34 -2.22 0.00 0.00 0.00 176.54 175.20 1u4b h ILE 712 N 1.01 1.22 -0.12 2.60 1.08 -0.85 0.83 117.51 123.29 1u4b h ILE 712 Ca 0.25 -0.60 -0.17 0.00 -0.39 0.00 0.00 64.86 63.94 1u4b h ILE 712 Cb 0.12 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1u4b h ILE 712 CO -0.03 0.25 -0.64 0.58 -0.69 0.00 0.00 178.15 177.63 1u4b h VAL 713 N 0.94 1.35 0.00 1.67 2.07 -1.12 -3.20 116.25 117.97 1u4b h VAL 713 Ca 0.24 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1u4b h VAL 713 Cb 0.09 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1u4b h VAL 713 CO -0.03 0.60 -0.22 1.88 0.02 0.00 0.00 177.57 179.82 1u4b h TYR 714 N 0.32 0.00 0.00 1.57 0.99 -0.88 -3.35 116.97 115.62 1u4b h TYR 714 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1u4b h TYR 714 Cb 1.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.92 1u4b h TYR 714 CO 0.04 0.22 0.00 0.41 -0.00 0.00 0.00 178.16 178.83 1u4b n GLY 715 N 0.76 1.17 3.70 3.88 0.00 0.04 -4.44 105.19 110.30 1u4b n GLY 715 Ca 0.02 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1u4b n GLY 715 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u4b n ILE 716 N 0.20 1.82 -3.73 -0.61 0.13 0.07 -4.86 119.36 112.38 1u4b n ILE 716 Ca 0.00 -0.45 -0.13 0.00 -1.10 0.00 0.00 62.75 61.06 1u4b n ILE 716 Cb 0.00 -1.60 -0.14 0.00 -0.84 0.00 0.00 39.64 37.06 1u4b n ILE 716 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1u4b s SER 717 N -0.18 -0.08 0.31 9.51 0.15 -1.26 -5.02 113.70 117.13 1u4b s SER 717 Ca 0.57 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1u4b s SER 717 Cb -0.57 0.29 0.49 0.00 -1.71 0.00 0.00 66.02 64.52 1u4b s SER 717 CO 0.60 -0.17 1.87 -2.24 1.20 0.00 0.00 173.24 174.51 1u4b h ASP 718 N 7.36 0.71 -0.27 5.45 3.04 -1.91 0.48 116.42 131.28 1u4b h ASP 718 Ca -0.39 -0.10 -0.10 0.00 -3.24 0.00 0.00 57.03 53.20 1u4b h ASP 718 Cb 1.14 -0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 39.24 1u4b h ASP 718 CO 0.37 0.67 -0.23 0.22 -2.04 0.00 0.00 179.24 178.23 1u4b h TYR 719 N 0.76 0.75 -0.52 4.15 3.20 -1.96 -0.84 116.97 122.51 1u4b h TYR 719 Ca 0.18 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1u4b h TYR 719 Cb 0.22 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1u4b h TYR 719 CO 0.01 0.93 -0.04 0.78 -1.64 0.00 0.00 178.16 178.20 1u4b h GLY 720 N 0.35 1.02 1.04 1.82 0.00 -1.89 -1.37 103.07 104.03 1u4b h GLY 720 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1u4b h GLY 720 CO 0.06 0.72 -0.17 -2.00 0.00 0.00 0.00 176.54 175.14 1u4b h LEU 721 N 0.81 0.89 -0.61 3.11 5.85 -0.93 -1.69 115.31 122.73 1u4b h LEU 721 Ca 0.14 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1u4b h LEU 721 Cb 0.58 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1u4b h LEU 721 CO 0.03 1.08 0.39 0.00 -0.34 0.00 0.00 178.44 179.61 1u4b h ALA 722 N 0.84 0.78 -0.40 1.25 0.00 -1.01 -0.19 119.26 120.53 1u4b h ALA 722 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1u4b h ALA 722 Cb 0.73 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1u4b h ALA 722 CO 0.06 0.16 0.15 0.37 0.00 0.00 0.00 179.25 179.99 1u4b h GLN 723 N 0.78 0.60 -0.74 0.00 5.75 -1.12 0.27 115.11 120.66 1u4b h GLN 723 Ca 0.23 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1u4b h GLN 723 Cb -0.04 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1u4b h GLN 723 CO -0.07 0.58 0.23 -0.97 -2.65 0.00 0.00 178.83 175.94 1u4b h ASN 724 N 0.50 1.09 -0.01 -0.69 -0.73 -0.87 -3.00 115.58 111.87 1u4b h ASN 724 Ca 0.13 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1u4b h ASN 724 Cb 0.21 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1u4b h ASN 724 CO -0.01 1.01 -0.03 0.18 -0.37 0.00 0.00 177.43 178.21 1u4b n LEU 725 N -4.26 2.16 -3.58 0.34 4.77 -0.12 -4.97 117.00 111.34 1u4b n LEU 725 Ca 0.06 -0.72 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 1u4b n LEU 725 Cb 0.23 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1u4b n LEU 725 CO 0.42 0.36 0.00 0.59 -1.33 0.00 0.00 177.39 177.43 1u4b n ASN 726 N 0.64 -1.67 -4.10 -1.43 3.02 0.84 -5.01 115.26 107.54 1u4b n ASN 726 Ca 0.16 -0.74 -0.23 0.00 -0.03 0.00 0.00 54.58 53.73 1u4b n ASN 726 Cb 0.47 -4.49 -0.09 0.00 -0.61 0.00 0.00 39.78 35.06 1u4b n ASN 726 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1u4b s ILE 727 N -3.54 0.59 0.65 2.41 -4.36 -0.43 -5.04 121.20 111.48 1u4b s ILE 727 Ca 0.02 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 1u4b s ILE 727 Cb -0.00 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1u4b s ILE 727 CO 0.78 0.00 1.04 -0.94 0.24 0.00 0.00 174.94 176.06 1u4b s SER 728 N -3.54 5.88 0.27 4.36 1.04 -1.26 -4.51 113.70 115.94 1u4b s SER 728 Ca 0.28 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.17 1u4b s SER 728 Cb 0.04 -2.46 0.37 0.00 0.10 0.00 0.00 66.02 64.07 1u4b s SER 728 CO 0.16 -1.11 1.87 -0.09 0.98 0.00 0.00 173.24 175.05 1u4b h ARG 729 N -0.48 1.01 -0.51 4.02 2.43 -1.94 -1.53 114.38 117.37 1u4b h ARG 729 Ca -0.44 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.58 1u4b h ARG 729 Cb 1.20 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1u4b h ARG 729 CO 0.60 0.78 0.27 1.57 -1.51 0.00 0.00 179.97 181.68 1u4b h LYS 730 N 1.00 0.72 -0.60 0.20 2.10 -1.92 0.07 116.57 118.14 1u4b h LYS 730 Ca 0.24 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.74 1u4b h LYS 730 Cb 0.11 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 1u4b h LYS 730 CO -0.03 0.57 0.14 0.93 -2.00 0.00 0.00 179.45 179.06 1u4b h GLU 731 N 0.68 0.96 -0.60 0.07 5.08 -1.83 -2.12 114.58 116.83 1u4b h GLU 731 Ca 0.18 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1u4b h GLU 731 Cb 0.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1u4b h GLU 731 CO -0.03 0.88 0.02 0.00 -1.00 0.00 0.00 179.01 178.89 1u4b h ALA 732 N 1.04 0.90 -0.50 3.43 0.00 -1.04 -2.41 119.26 120.68 1u4b h ALA 732 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u4b h ALA 732 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1u4b h ALA 732 CO 0.00 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.22 1u4b h ALA 733 N 1.06 1.60 -0.46 0.00 0.00 -0.69 -1.32 119.26 119.45 1u4b h ALA 733 Ca 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1u4b h ALA 733 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u4b h ALA 733 CO 0.03 0.36 -0.07 0.93 0.00 0.00 0.00 179.25 180.49 1u4b h GLU 734 N 0.69 0.86 -0.61 0.00 5.08 -0.91 -0.94 114.58 118.74 1u4b h GLU 734 Ca 0.18 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1u4b h GLU 734 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1u4b h GLU 734 CO -0.04 0.94 0.33 0.74 -1.00 0.00 0.00 179.01 179.98 1u4b h PHE 735 N 0.70 0.86 -0.63 4.33 0.05 -0.97 -1.29 116.94 119.99 1u4b h PHE 735 Ca 0.12 -0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.85 1u4b h PHE 735 Cb 0.60 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 38.25 1u4b h PHE 735 CO 0.05 0.63 0.25 0.82 -0.18 0.00 0.00 178.31 179.87 1u4b h ILE 736 N 0.84 1.23 -0.73 -0.55 2.04 -1.08 -0.02 117.51 119.24 1u4b h ILE 736 Ca 0.22 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1u4b h ILE 736 Cb 0.06 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1u4b h ILE 736 CO -0.03 0.29 0.30 -0.08 0.00 0.00 0.00 178.15 178.63 1u4b h GLU 737 N 0.89 1.09 -0.56 2.37 4.81 -0.87 -1.36 114.58 120.95 1u4b h GLU 737 Ca 0.21 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1u4b h GLU 737 Cb 0.21 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1u4b h GLU 737 CO -0.02 0.89 -0.00 0.00 -0.73 0.00 0.00 179.01 179.15 1u4b h ARG 738 N 1.05 0.97 -0.01 1.92 2.47 -0.86 -2.05 114.38 117.87 1u4b h ARG 738 Ca 0.25 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1u4b h ARG 738 Cb 0.20 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1u4b h ARG 738 CO -0.02 0.96 0.01 -0.92 0.56 0.00 0.00 179.97 180.55 1u4b h TYR 739 N 0.89 0.02 0.00 3.04 3.20 -0.48 -2.05 116.97 121.58 1u4b h TYR 739 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1u4b h TYR 739 Cb 0.53 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1u4b h TYR 739 CO 0.03 0.07 -0.08 0.74 -1.64 0.00 0.00 178.16 177.28 1u4b h PHE 740 N -0.05 0.00 -0.12 -3.82 0.04 -1.14 0.13 116.94 111.98 1u4b h PHE 740 Ca 0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.60 1u4b h PHE 740 Cb 0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1u4b h PHE 740 CO -0.06 0.08 -0.66 0.93 -0.60 0.00 0.00 178.31 178.01 1u4b h GLU 741 N 0.00 0.47 0.00 1.51 5.08 -0.91 -2.73 114.58 118.00 1u4b h GLU 741 Ca -0.00 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 1u4b h GLU 741 Cb 0.35 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1u4b h GLU 741 CO 0.01 0.97 -0.91 0.77 -1.00 0.00 0.00 179.01 178.85 1u4b h SER 742 N 0.33 0.00 -2.13 1.42 0.02 -0.60 -3.38 113.55 109.21 1u4b h SER 742 Ca -0.02 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.36 1u4b h SER 742 Cb 1.22 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.35 1u4b h SER 742 CO 0.12 0.63 -0.80 0.49 -1.14 0.00 0.00 176.83 176.13 1u4b n PHE 743 N -3.14 2.27 0.27 3.45 3.01 0.35 -4.81 117.46 118.86 1u4b n PHE 743 Ca -0.03 -3.94 0.15 0.00 1.01 0.00 0.00 57.45 54.64 1u4b n PHE 743 Cb 0.82 -0.48 0.86 0.00 -0.01 0.00 0.00 39.48 40.66 1u4b n PHE 743 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u4b h PRO 744 N 3.87 0.00 -0.42 -1.08 0.13 -1.68 -1.66 132.00 131.17 1u4b h PRO 744 Ca 0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 1u4b h PRO 744 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1u4b h PRO 744 CO 0.70 0.00 -0.25 0.78 -0.23 0.00 0.00 178.00 179.00 1u4b h GLY 745 N 0.00 0.98 1.03 1.56 0.00 -1.88 -0.87 103.07 103.89 1u4b h GLY 745 Ca 0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 1u4b h GLY 745 CO -0.00 0.83 0.08 -2.08 0.00 0.00 0.00 176.54 175.37 1u4b h VAL 746 N 0.73 1.26 -0.22 4.60 2.07 -1.59 -0.68 116.25 122.41 1u4b h VAL 746 Ca 0.09 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1u4b h VAL 746 Cb 0.83 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1u4b h VAL 746 CO 0.07 0.37 0.11 0.50 0.02 0.00 0.00 177.57 178.63 1u4b h LYS 747 N 0.85 0.22 -0.92 1.57 3.64 -1.22 -0.40 116.57 120.31 1u4b h LYS 747 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1u4b h LYS 747 Cb 0.44 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1u4b h LYS 747 CO 0.01 0.15 0.59 -0.09 -2.27 0.00 0.00 179.45 177.84 1u4b h ARG 748 N 0.23 1.24 -0.07 1.90 2.43 -0.96 -1.95 114.38 117.20 1u4b h ARG 748 Ca 0.09 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1u4b h ARG 748 Cb 0.03 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1u4b h ARG 748 CO -0.07 0.84 0.04 -0.92 -1.51 0.00 0.00 179.97 178.36 1u4b h TYR 749 N 1.26 0.10 -0.87 2.20 3.20 -0.47 0.44 116.97 122.83 1u4b h TYR 749 Ca 0.34 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1u4b h TYR 749 Cb -0.10 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1u4b h TYR 749 CO -0.00 0.10 0.57 0.52 -1.64 0.00 0.00 178.16 177.71 1u4b h MET 750 N 0.06 1.15 -0.07 1.82 2.86 -0.81 0.16 114.93 120.11 1u4b h MET 750 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1u4b h MET 750 Cb 0.03 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1u4b h MET 750 CO -0.01 0.77 -0.01 0.93 1.06 0.00 0.00 176.91 179.65 1u4b h GLU 751 N 1.18 0.13 -0.62 1.72 5.08 -1.09 -3.09 114.58 117.88 1u4b h GLU 751 Ca 0.32 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1u4b h GLU 751 Cb -0.13 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1u4b h GLU 751 CO -0.07 0.44 0.07 -0.91 -1.00 0.00 0.00 179.01 177.55 1u4b h ASN 752 N -0.20 1.02 0.01 1.42 -0.26 -0.49 -2.56 115.58 114.51 1u4b h ASN 752 Ca 0.02 -0.27 -0.07 0.00 -0.56 0.00 0.00 56.30 55.41 1u4b h ASN 752 Cb 0.40 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1u4b h ASN 752 CO 0.01 1.03 -0.20 -0.29 -1.06 0.00 0.00 177.43 176.92 1u4b h ILE 753 N 0.96 1.23 -0.35 2.81 6.09 -0.77 0.78 117.51 128.26 1u4b h ILE 753 Ca 0.19 -1.07 -0.14 0.00 -1.37 0.00 0.00 64.86 62.46 1u4b h ILE 753 Cb 0.47 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 1u4b h ILE 753 CO 0.02 0.34 -0.34 0.58 -3.07 0.00 0.00 178.15 175.68 1u4b h VAL 754 N 0.32 1.28 -0.73 2.19 2.07 -1.45 -1.01 116.25 118.93 1u4b h VAL 754 Ca 0.06 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1u4b h VAL 754 Cb 0.54 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1u4b h VAL 754 CO 0.04 0.50 0.24 -0.61 0.02 0.00 0.00 177.57 177.75 1u4b h GLN 755 N 0.63 1.13 -0.47 1.57 4.15 -1.04 -2.27 115.11 118.82 1u4b h GLN 755 Ca 0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 1u4b h GLN 755 Cb 0.92 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1u4b h GLN 755 CO 0.08 0.95 0.12 1.49 -1.93 0.00 0.00 178.83 179.55 1u4b h GLU 756 N 1.09 0.74 -0.71 1.69 4.81 -0.67 -0.57 114.58 120.95 1u4b h GLU 756 Ca 0.24 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u4b h GLU 756 Cb 0.29 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1u4b h GLU 756 CO -0.01 0.72 0.44 0.00 -0.73 0.00 0.00 179.01 179.43 1u4b h ALA 757 N 0.98 1.43 -0.21 2.92 0.00 -0.96 0.95 119.26 124.38 1u4b h ALA 757 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1u4b h ALA 757 Cb 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u4b h ALA 757 CO -0.00 0.50 -0.31 -0.22 0.00 0.00 0.00 179.25 179.22 1u4b h LYS 758 N 0.98 0.58 0.04 0.00 3.64 -1.07 0.17 116.57 120.89 1u4b h LYS 758 Ca 0.26 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1u4b h LYS 758 Cb -0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1u4b h LYS 758 CO -0.05 0.95 -0.02 0.37 -2.27 0.00 0.00 179.45 178.43 1u4b h GLN 759 N 0.25 -0.05 0.01 1.90 -0.00 -0.62 -3.33 115.11 113.28 1u4b h GLN 759 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.41 1u4b h GLN 759 Cb 0.89 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.34 1u4b h GLN 759 CO 0.07 0.29 -1.46 0.87 0.00 0.00 0.00 178.83 178.60 1u4b h LYS 760 N -0.39 0.03 0.00 1.69 1.57 -0.94 -3.48 116.57 115.05 1u4b h LYS 760 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1u4b h LYS 760 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1u4b h LYS 760 CO 0.01 0.74 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1u4b n GLY 761 N 1.50 0.46 3.80 3.86 0.00 0.59 -5.04 105.19 110.35 1u4b n GLY 761 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1u4b n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u4b s TYR 762 N -2.07 -0.23 0.24 1.61 -0.85 -1.19 -1.68 117.35 113.18 1u4b s TYR 762 Ca 0.00 -0.20 0.10 0.00 -0.52 0.00 0.00 57.07 56.45 1u4b s TYR 762 Cb 0.00 0.68 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 1u4b s TYR 762 CO 0.00 -1.18 -0.17 0.14 -1.52 0.00 0.00 175.55 172.82 1u4b s VAL 763 N -3.90 2.10 0.24 -3.49 -7.23 -0.73 -4.21 120.40 103.18 1u4b s VAL 763 Ca 0.10 -2.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1u4b s VAL 763 Cb -0.05 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1u4b s VAL 763 CO 0.04 -0.49 -0.01 0.42 -0.31 0.00 0.00 175.10 174.75 1u4b s THR 764 N -2.75 1.09 0.49 5.32 -4.23 -1.26 -1.77 115.64 112.54 1u4b s THR 764 Ca 0.26 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1u4b s THR 764 Cb -0.03 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1u4b s THR 764 CO 0.11 -0.31 0.40 0.42 -0.54 0.00 0.00 174.62 174.69 1u4b s THR 765 N -3.38 2.05 0.32 3.99 -4.23 -0.46 -4.50 115.64 109.43 1u4b s THR 765 Ca 0.29 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 1u4b s THR 765 Cb 0.06 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.71 1u4b s THR 765 CO 0.09 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.89 1u4b h LEU 766 N 0.87 0.75 -3.20 4.79 3.38 -1.89 -0.71 115.31 119.30 1u4b h LEU 766 Ca -0.38 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1u4b h LEU 766 Cb 1.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1u4b h LEU 766 CO 0.58 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.57 1u4b n LEU 767 N -4.72 5.07 -0.24 1.67 4.77 -1.26 -4.93 117.00 117.36 1u4b n LEU 767 Ca 0.23 -2.57 -0.03 0.00 -0.03 0.00 0.00 56.01 53.61 1u4b n LEU 767 Cb 0.57 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1u4b n LEU 767 CO 0.23 0.64 -0.03 1.41 -1.33 0.00 0.00 177.39 178.32 1u4b n HIS 768 N 0.72 -0.04 -2.33 -1.77 8.25 -0.27 -4.69 115.22 115.08 1u4b n HIS 768 Ca 0.25 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 1u4b n HIS 768 Cb 1.03 -1.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1u4b n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u4b s ARG 769 N -2.83 3.55 0.10 -0.41 3.52 -1.26 -4.76 118.95 116.86 1u4b s ARG 769 Ca 0.00 1.38 0.03 0.00 -0.13 0.00 0.00 55.73 57.00 1u4b s ARG 769 Cb 0.00 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1u4b s ARG 769 CO 0.00 -0.64 -0.08 -0.98 -0.81 0.00 0.00 175.30 172.79 1u4b s ARG 770 N -3.48 0.84 -0.06 5.12 1.70 -1.26 -1.36 118.95 120.44 1u4b s ARG 770 Ca 0.68 -1.26 -0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1u4b s ARG 770 Cb -0.18 -0.33 0.04 0.00 -0.57 0.00 0.00 34.95 33.91 1u4b s ARG 770 CO 0.26 0.02 0.12 0.50 -1.08 0.00 0.00 175.30 175.12 1u4b s ARG 771 N -3.39 -0.02 0.31 3.89 3.52 -0.73 -4.65 118.95 117.88 1u4b s ARG 771 Ca 0.09 0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 55.90 1u4b s ARG 771 Cb 0.02 -0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 32.94 1u4b s ARG 771 CO -0.03 -0.32 0.99 0.71 -0.81 0.00 0.00 175.30 175.84 1u4b s TYR 772 N 2.24 3.66 -0.50 5.12 1.51 -1.26 -1.77 117.35 126.35 1u4b s TYR 772 Ca 0.04 1.78 0.07 0.00 -1.01 0.00 0.00 57.07 57.95 1u4b s TYR 772 Cb -0.12 -3.03 0.27 0.00 -0.11 0.00 0.00 41.96 38.97 1u4b s TYR 772 CO -0.05 -0.01 0.67 1.28 -1.11 0.00 0.00 175.55 176.33 1u4b n LEU 773 N 0.76 1.95 0.12 -1.29 4.77 -0.68 -4.94 117.00 117.68 1u4b n LEU 773 Ca 0.01 -5.09 0.16 0.00 -0.03 0.00 0.00 56.01 51.06 1u4b n LEU 773 Cb 0.48 0.06 0.71 0.00 -2.33 0.00 0.00 43.42 42.35 1u4b n LEU 773 CO 0.47 2.12 1.15 1.55 -1.33 0.00 0.00 177.39 181.34 1u4b h PRO 774 N 3.86 0.00 0.00 3.23 0.13 -1.95 -1.43 132.00 135.84 1u4b h PRO 774 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1u4b h PRO 774 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1u4b h PRO 774 CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1u4b n ASP 775 N -4.27 0.00 0.29 1.44 10.43 -1.26 -3.16 116.55 120.02 1u4b n ASP 775 Ca 0.04 0.02 0.19 0.00 2.57 0.00 0.00 54.79 57.61 1u4b n ASP 775 Cb 0.40 -0.29 0.93 0.00 1.84 0.00 0.00 41.12 44.00 1u4b n ASP 775 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1u4b h ILE 776 N 0.00 0.00 -0.43 0.53 6.09 -1.54 -2.03 117.51 120.12 1u4b h ILE 776 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1u4b h ILE 776 Cb 0.19 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1u4b h ILE 776 CO 0.00 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.43 1u4b n THR 777 N -2.94 0.91 -1.97 2.19 -2.24 -1.19 -4.96 114.28 104.08 1u4b n THR 777 Ca -0.01 -0.96 -0.37 0.00 -2.27 0.00 0.00 64.05 60.44 1u4b n THR 777 Cb 0.16 0.57 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1u4b n THR 777 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u4b s SER 778 N -1.02 5.46 -0.01 3.42 0.15 -0.76 -4.92 113.70 116.02 1u4b s SER 778 Ca 0.30 2.53 0.17 0.00 0.70 0.00 0.00 55.95 59.65 1u4b s SER 778 Cb 0.16 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.35 1u4b s SER 778 CO 0.21 -1.42 1.41 0.54 1.20 0.00 0.00 173.24 175.19 1u4b n ARG 779 N -1.07 2.40 -3.63 5.44 3.00 -1.26 -4.66 116.66 116.89 1u4b n ARG 779 Ca 0.11 -2.03 -0.38 0.00 -0.01 0.00 0.00 57.85 55.54 1u4b n ARG 779 Cb 0.47 -1.48 -0.11 0.00 0.00 0.00 0.00 32.46 31.34 1u4b n ARG 779 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u4b s ASN 780 N -0.97 5.73 0.21 0.55 3.84 -1.26 -5.00 114.94 118.03 1u4b s ASN 780 Ca 0.37 -0.27 -0.10 0.00 0.21 0.00 0.00 52.86 53.07 1u4b s ASN 780 Cb 0.20 -2.05 0.29 0.00 -0.55 0.00 0.00 41.25 39.13 1u4b s ASN 780 CO 0.24 -0.12 1.71 0.15 -2.79 0.00 0.00 177.10 176.29 1u4b h PHE 781 N 8.36 0.22 -0.47 0.43 3.04 -1.99 -0.27 116.94 126.27 1u4b h PHE 781 Ca -0.34 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.58 1u4b h PHE 781 Cb 1.17 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.65 1u4b h PHE 781 CO 0.69 -0.02 0.03 -0.91 -2.02 0.00 0.00 178.31 176.08 1u4b h ASN 782 N 0.27 0.79 -0.24 0.41 2.35 -1.98 0.03 115.58 117.20 1u4b h ASN 782 Ca 0.31 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1u4b h ASN 782 Cb 0.45 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1u4b h ASN 782 CO -0.39 0.88 0.04 0.58 -1.65 0.00 0.00 177.43 176.90 1u4b h VAL 783 N 0.66 1.23 -0.62 2.81 2.07 -1.86 -2.41 116.25 118.12 1u4b h VAL 783 Ca 0.14 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1u4b h VAL 783 Cb 0.47 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1u4b h VAL 783 CO 0.02 0.24 0.19 -0.09 0.02 0.00 0.00 177.57 177.95 1u4b h ARG 784 N 0.21 0.97 -0.74 1.57 2.43 -0.98 -2.77 114.38 115.06 1u4b h ARG 784 Ca 0.07 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1u4b h ARG 784 Cb 0.32 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1u4b h ARG 784 CO 0.00 0.86 0.37 0.77 -1.51 0.00 0.00 179.97 180.46 1u4b h SER 785 N 0.89 0.95 -0.46 -3.80 0.02 -0.91 -0.48 113.55 109.76 1u4b h SER 785 Ca 0.20 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1u4b h SER 785 Cb 0.30 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1u4b h SER 785 CO -0.01 0.79 0.20 0.15 -1.14 0.00 0.00 176.83 176.82 1u4b h PHE 786 N 1.05 0.69 -0.72 3.45 -0.00 -1.27 -1.36 116.94 118.78 1u4b h PHE 786 Ca 0.26 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.97 58.15 1u4b h PHE 786 Cb 0.09 -0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 35.79 1u4b h PHE 786 CO 0.01 0.58 0.33 0.00 -0.00 0.00 0.00 178.31 179.24 1u4b h ALA 787 N 1.04 1.24 -0.72 2.41 0.00 -1.12 -1.48 119.26 120.63 1u4b h ALA 787 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1u4b h ALA 787 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1u4b h ALA 787 CO -0.01 0.58 0.20 0.93 0.00 0.00 0.00 179.25 180.94 1u4b h GLU 788 N 1.02 1.13 -0.39 0.00 5.08 -0.68 -0.50 114.58 120.24 1u4b h GLU 788 Ca 0.25 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1u4b h GLU 788 Cb 0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1u4b h GLU 788 CO -0.03 0.98 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 1u4b h ARG 789 N 1.08 0.66 -0.32 2.33 3.08 -0.72 -1.93 114.38 118.56 1u4b h ARG 789 Ca 0.23 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1u4b h ARG 789 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1u4b h ARG 789 CO -0.00 0.73 -0.20 0.52 -1.07 0.00 0.00 179.97 179.95 1u4b h MET 790 N 0.61 0.61 -0.52 0.04 2.86 -0.70 0.17 114.93 118.00 1u4b h MET 790 Ca 0.11 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1u4b h MET 790 Cb 0.50 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1u4b h MET 790 CO 0.03 0.77 0.08 0.00 1.06 0.00 0.00 176.91 178.84 1u4b h ALA 791 N 1.25 1.17 -0.01 6.32 0.00 -0.54 0.48 119.26 127.93 1u4b h ALA 791 Ca 0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1u4b h ALA 791 Cb 0.64 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u4b h ALA 791 CO 0.05 0.55 -0.59 0.52 0.00 0.00 0.00 179.25 179.78 1u4b h MET 792 N 0.78 0.42 0.17 0.00 2.07 -0.90 -3.39 114.93 114.08 1u4b h MET 792 Ca 0.16 -0.44 -0.31 0.00 -2.07 0.00 0.00 59.70 57.04 1u4b h MET 792 Cb 0.36 0.12 0.03 0.00 -1.87 0.00 0.00 31.60 30.24 1u4b h MET 792 CO 0.01 1.10 -1.33 -0.97 1.07 0.00 0.00 176.91 176.78 1u4b h ASN 793 N -0.09 0.87 -0.72 1.22 -0.73 -0.58 -3.38 115.58 112.17 1u4b h ASN 793 Ca -0.07 -0.86 0.08 0.00 1.87 0.00 0.00 56.30 57.32 1u4b h ASN 793 Cb 1.30 -0.28 -0.07 0.00 0.27 0.00 0.00 38.32 39.55 1u4b h ASN 793 CO 0.12 1.65 0.38 0.74 -0.37 0.00 0.00 177.43 179.96 1u4b h THR 794 N 0.23 0.90 0.00 -3.57 2.02 -1.08 -0.04 112.91 111.37 1u4b h THR 794 Ca -0.21 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1u4b h THR 794 Cb 2.01 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1u4b h THR 794 CO 0.25 0.12 -0.16 -0.65 0.37 0.00 0.00 175.52 175.46 1u4b h PRO 795 N 0.67 0.00 0.13 6.66 0.11 -1.75 0.33 132.00 138.15 1u4b h PRO 795 Ca 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1u4b h PRO 795 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1u4b h PRO 795 CO -0.23 0.16 -0.06 0.82 -0.21 0.00 0.00 178.00 178.47 1u4b h ILE 796 N 0.00 0.03 -0.88 4.15 2.04 -1.42 -2.05 117.51 119.38 1u4b h ILE 796 Ca -0.00 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1u4b h ILE 796 Cb 0.29 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1u4b h ILE 796 CO 0.02 0.01 0.51 -0.61 0.00 0.00 0.00 178.15 178.08 1u4b h GLN 797 N -1.05 1.21 -0.51 2.37 4.15 -1.05 -1.86 115.11 118.37 1u4b h GLN 797 Ca -0.02 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.17 1u4b h GLN 797 Cb 0.15 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1u4b h GLN 797 CO 0.03 0.86 -0.09 0.78 -1.93 0.00 0.00 178.83 178.48 1u4b h GLY 798 N 1.22 1.05 1.53 2.39 0.00 -0.46 -1.71 103.07 107.08 1u4b h GLY 798 Ca 0.31 -0.84 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1u4b h GLY 798 CO -0.06 0.77 -0.33 1.76 0.00 0.00 0.00 176.54 178.68 1u4b h SER 799 N 0.83 0.55 -0.25 0.19 0.02 -1.20 -0.59 113.55 113.10 1u4b h SER 799 Ca 0.13 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1u4b h SER 799 Cb 0.65 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1u4b h SER 799 CO 0.04 0.85 -0.03 0.00 -1.14 0.00 0.00 176.83 176.55 1u4b h ALA 800 N 1.19 1.27 -0.37 3.77 0.00 -1.16 -0.95 119.26 123.01 1u4b h ALA 800 Ca 0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1u4b h ALA 800 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1u4b h ALA 800 CO 0.07 0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.65 1u4b h ALA 801 N 1.42 0.52 -0.32 0.00 0.00 -0.75 -2.41 119.26 117.72 1u4b h ALA 801 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1u4b h ALA 801 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1u4b h ALA 801 CO 0.02 0.43 0.12 -0.44 0.00 0.00 0.00 179.25 179.37 1u4b h ASP 802 N 0.55 0.14 -0.10 0.00 3.32 -0.64 -1.65 116.42 118.04 1u4b h ASP 802 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1u4b h ASP 802 Cb 0.69 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1u4b h ASP 802 CO 0.05 0.11 0.03 0.40 -1.72 0.00 0.00 179.24 178.12 1u4b h ILE 803 N 0.26 0.98 0.00 0.35 2.04 -1.07 -1.31 117.51 118.76 1u4b h ILE 803 Ca 0.14 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 1u4b h ILE 803 Cb 0.10 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1u4b h ILE 803 CO -0.14 0.02 -0.47 -0.29 0.00 0.00 0.00 178.15 177.27 1u4b h ILE 804 N 0.08 1.29 -0.46 -0.67 2.10 -1.31 -0.63 117.51 117.92 1u4b h ILE 804 Ca 0.04 -1.63 -0.06 0.00 1.08 0.00 0.00 64.86 64.29 1u4b h ILE 804 Cb 0.02 1.89 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 1u4b h ILE 804 CO -0.05 0.46 0.04 0.11 -1.08 0.00 0.00 178.15 177.63 1u4b h LYS 805 N 0.00 0.79 -0.51 2.19 1.57 -1.02 -0.89 116.57 118.69 1u4b h LYS 805 Ca -0.00 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1u4b h LYS 805 Cb 0.85 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1u4b h LYS 805 CO 0.06 0.82 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.52 1u4b h LYS 806 N 0.64 0.88 -0.91 3.15 3.64 -0.90 -2.49 116.57 120.58 1u4b h LYS 806 Ca 0.13 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1u4b h LYS 806 Cb 0.45 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1u4b h LYS 806 CO 0.02 0.89 0.60 0.00 -2.27 0.00 0.00 179.45 178.69 1u4b h ALA 807 N 1.16 1.36 -0.64 5.00 0.00 -0.69 -0.44 119.26 125.00 1u4b h ALA 807 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1u4b h ALA 807 Cb 0.51 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u4b h ALA 807 CO 0.03 0.60 0.20 0.52 0.00 0.00 0.00 179.25 180.60 1u4b h MET 808 N 1.23 1.00 -0.17 0.00 2.86 -0.74 0.23 114.93 119.34 1u4b h MET 808 Ca 0.33 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1u4b h MET 808 Cb -0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1u4b h MET 808 CO -0.07 0.87 0.00 0.82 1.06 0.00 0.00 176.91 179.60 1u4b h ILE 809 N 0.93 1.25 -0.81 -1.22 2.04 -1.13 -1.65 117.51 116.91 1u4b h ILE 809 Ca 0.21 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1u4b h ILE 809 Cb 0.29 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1u4b h ILE 809 CO -0.01 0.25 0.42 0.44 0.00 0.00 0.00 178.15 179.25 1u4b h ASP 810 N 0.04 1.03 -0.30 1.72 3.32 -0.91 -2.45 116.42 118.87 1u4b h ASP 810 Ca 0.05 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1u4b h ASP 810 Cb 0.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1u4b h ASP 810 CO 0.01 0.85 0.16 0.25 -1.72 0.00 0.00 179.24 178.79 1u4b h LEU 811 N 1.14 0.38 -1.31 1.55 5.85 -0.42 -1.77 115.31 120.72 1u4b h LEU 811 Ca 0.28 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1u4b h LEU 811 Cb 0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1u4b h LEU 811 CO -0.04 0.37 0.01 0.78 -0.34 0.00 0.00 178.44 179.22 1u4b h ASN 812 N 0.37 0.44 -0.59 1.25 4.21 -1.13 0.23 115.58 120.35 1u4b h ASN 812 Ca 0.11 -0.07 -0.09 0.00 1.21 0.00 0.00 56.30 57.46 1u4b h ASN 812 Cb 0.07 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1u4b h ASN 812 CO -0.02 0.50 0.03 0.00 -1.29 0.00 0.00 177.43 176.65 1u4b h ALA 813 N 1.56 0.80 -0.43 -0.83 0.00 -1.12 -2.11 119.26 117.13 1u4b h ALA 813 Ca 0.10 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1u4b h ALA 813 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u4b h ALA 813 CO 0.01 0.61 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 1u4b h ARG 814 N 0.93 0.96 -0.56 0.00 2.47 -0.62 -1.91 114.38 115.65 1u4b h ARG 814 Ca 0.17 -0.45 -0.03 0.00 -1.26 0.00 0.00 59.98 58.41 1u4b h ARG 814 Cb 0.52 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 1u4b h ARG 814 CO 0.02 1.12 0.24 -0.07 0.56 0.00 0.00 179.97 181.85 1u4b h LEU 815 N 0.81 0.72 -0.20 3.04 3.38 -0.83 -1.72 115.31 120.51 1u4b h LEU 815 Ca 0.09 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1u4b h LEU 815 Cb 0.88 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1u4b h LEU 815 CO 0.08 0.64 -0.33 0.50 0.09 0.00 0.00 178.44 179.42 1u4b h LYS 816 N 0.79 0.57 -0.73 1.13 3.64 -1.22 -0.93 116.57 119.83 1u4b h LYS 816 Ca 0.19 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1u4b h LYS 816 Cb 0.12 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1u4b h LYS 816 CO -0.02 0.95 0.48 0.93 -2.27 0.00 0.00 179.45 179.52 1u4b h GLU 817 N 0.24 0.94 -0.01 1.90 5.08 -1.03 -0.98 114.58 120.72 1u4b h GLU 817 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1u4b h GLU 817 Cb 0.91 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1u4b h GLU 817 CO 0.07 0.62 -0.14 0.39 -1.00 0.00 0.00 179.01 178.95 1u4b n GLU 818 N -4.43 0.95 -3.99 2.33 -0.58 -0.67 -4.94 120.64 109.30 1u4b n GLU 818 Ca 0.08 -0.46 -0.29 0.00 -0.42 0.00 0.00 57.16 56.06 1u4b n GLU 818 Cb 0.05 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1u4b n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u4b n ARG 819 N -0.62 -4.05 -3.01 3.49 3.00 -0.37 -4.95 116.66 110.14 1u4b n ARG 819 Ca 0.15 0.47 -0.34 0.00 -0.01 0.00 0.00 57.85 58.12 1u4b n ARG 819 Cb 0.31 -5.02 -0.06 0.00 0.00 0.00 0.00 32.46 27.68 1u4b n ARG 819 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u4b s LEU 820 N -7.10 4.11 0.15 0.55 1.43 -0.55 -4.96 118.68 112.31 1u4b s LEU 820 Ca 0.38 1.47 0.26 0.00 -1.03 0.00 0.00 54.13 55.21 1u4b s LEU 820 Cb -0.20 -4.11 0.77 0.00 0.03 0.00 0.00 46.19 42.68 1u4b s LEU 820 CO 0.87 -0.19 1.69 0.00 0.23 0.00 0.00 176.35 178.96 1u4b n GLN 821 N -0.15 0.22 -1.70 1.70 6.02 -1.26 -4.83 117.38 117.38 1u4b n GLN 821 Ca 0.03 0.15 -0.41 0.00 -0.01 0.00 0.00 57.00 56.76 1u4b n GLN 821 Cb 0.53 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 30.08 1u4b n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u4b n ALA 822 N -1.74 1.22 -3.04 -1.58 0.00 -1.26 -4.89 120.51 109.23 1u4b n ALA 822 Ca 0.05 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1u4b n ALA 822 Cb 0.41 -2.26 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 1u4b n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u4b s HIS 823 N -1.22 -0.11 0.39 0.00 -3.43 -0.87 -5.00 115.29 105.04 1u4b s HIS 823 Ca 0.62 0.01 -0.26 0.00 -0.80 0.00 0.00 55.06 54.64 1u4b s HIS 823 Cb -0.50 0.09 -0.09 0.00 -1.43 0.00 0.00 32.58 30.66 1u4b s HIS 823 CO 0.57 -0.48 1.22 -0.51 -2.00 0.00 0.00 174.74 173.54 1u4b s LEU 824 N -1.94 4.24 -0.03 5.38 1.43 -1.26 -2.04 118.68 124.46 1u4b s LEU 824 Ca -0.06 2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1u4b s LEU 824 Cb -0.02 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 1u4b s LEU 824 CO -0.02 -0.69 -0.03 0.18 0.23 0.00 0.00 176.35 176.02 1u4b n LEU 825 N 0.23 1.33 -3.91 1.79 4.77 0.53 -4.62 117.00 117.12 1u4b n LEU 825 Ca 0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1u4b n LEU 825 Cb 0.45 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1u4b n LEU 825 CO 0.53 0.25 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.97 1u4b s LEU 826 N -5.74 1.47 -0.04 2.23 1.43 -0.89 -4.76 118.68 112.38 1u4b s LEU 826 Ca -0.04 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1u4b s LEU 826 Cb 0.01 0.94 0.01 0.00 0.03 0.00 0.00 46.19 47.19 1u4b s LEU 826 CO 0.05 -0.75 -0.08 -1.58 0.23 0.00 0.00 176.35 174.23 1u4b s GLN 827 N -3.90 1.04 -0.51 1.70 -0.44 -1.26 -0.96 119.66 115.33 1u4b s GLN 827 Ca 0.08 -0.24 0.07 0.00 -2.50 0.00 0.00 55.36 52.78 1u4b s GLN 827 Cb 0.05 -0.96 0.30 0.00 -1.64 0.00 0.00 33.01 30.77 1u4b s GLN 827 CO -0.08 0.02 0.76 0.28 0.50 0.00 0.00 175.29 176.77 1u4b n VAL 828 N 3.69 1.45 0.00 1.34 0.31 -0.19 -4.88 118.33 120.05 1u4b n VAL 828 Ca -0.22 -4.97 0.00 0.00 -0.01 0.00 0.00 64.34 59.14 1u4b n VAL 828 Cb 0.52 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1u4b n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1u4b n HIS 829 N 0.48 0.00 -1.25 3.52 -0.00 -1.26 -3.39 115.22 113.32 1u4b n HIS 829 Ca 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.03 1u4b n HIS 829 Cb 0.48 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.52 1u4b n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1u4b n ASP 830 N 1.23 1.02 -3.94 0.41 5.75 -1.26 -4.78 116.55 114.99 1u4b n ASP 830 Ca 0.00 -2.17 -0.10 0.00 -0.01 0.00 0.00 54.79 52.52 1u4b n ASP 830 Cb 0.00 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 1u4b n ASP 830 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1u4b s GLU 831 N -1.04 0.49 -0.06 0.11 -1.05 -1.22 -1.02 118.70 114.90 1u4b s GLU 831 Ca 0.10 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.32 1u4b s GLU 831 Cb 0.09 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1u4b s GLU 831 CO 0.01 -0.11 -0.21 -0.51 0.95 0.00 0.00 175.26 175.39 1u4b s LEU 832 N -1.79 1.98 -0.13 1.83 1.43 0.02 -1.03 118.68 120.99 1u4b s LEU 832 Ca -0.10 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1u4b s LEU 832 Cb -0.05 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1u4b s LEU 832 CO -0.02 0.17 -0.19 -0.63 0.23 0.00 0.00 176.35 175.91 1u4b s ILE 833 N 0.12 2.47 0.32 -0.59 1.09 -0.13 -1.27 121.20 123.21 1u4b s ILE 833 Ca -0.09 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.64 1u4b s ILE 833 Cb -0.14 -2.00 -0.06 0.00 -1.06 0.00 0.00 42.46 39.19 1u4b s ILE 833 CO 0.05 0.54 0.06 -0.76 -0.10 0.00 0.00 174.94 174.72 1u4b s LEU 834 N 0.54 2.17 0.04 2.97 1.02 0.65 -0.34 118.68 125.73 1u4b s LEU 834 Ca -0.11 -1.37 0.04 0.00 0.02 0.00 0.00 54.13 52.70 1u4b s LEU 834 Cb -0.16 -0.37 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 1u4b s LEU 834 CO 0.04 -0.60 -0.11 -1.83 0.02 0.00 0.00 176.35 173.87 1u4b s GLU 835 N -3.89 0.69 0.09 1.70 -1.05 -0.87 -0.61 118.70 114.76 1u4b s GLU 835 Ca 0.36 -0.73 -0.26 0.00 -0.15 0.00 0.00 54.97 54.19 1u4b s GLU 835 Cb 0.09 -0.61 0.08 0.00 -0.44 0.00 0.00 34.13 33.25 1u4b s GLU 835 CO 0.15 0.14 0.84 0.00 0.95 0.00 0.00 175.26 177.34 1u4b s ALA 836 N -1.06 -1.69 0.55 -0.84 0.00 -0.65 -2.05 121.76 116.02 1u4b s ALA 836 Ca -0.03 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 1u4b s ALA 836 Cb -0.08 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1u4b s ALA 836 CO 0.01 -0.83 1.23 -2.30 0.00 0.00 0.00 175.76 173.87 1u4b n PRO 837 N -0.35 1.45 0.12 0.00 -0.02 -1.26 -0.38 135.00 134.55 1u4b n PRO 837 Ca -0.09 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.07 1u4b n PRO 837 Cb 0.62 -2.43 0.66 0.00 -0.02 0.00 0.00 33.50 32.33 1u4b n PRO 837 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1u4b h LYS 838 N 1.18 0.01 0.00 -0.52 2.10 -1.53 -0.07 116.57 117.74 1u4b h LYS 838 Ca -0.50 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1u4b h LYS 838 Cb 1.32 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1u4b h LYS 838 CO 0.55 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.40 1u4b n GLU 839 N -4.46 0.07 0.00 0.07 4.71 -1.26 -2.49 120.64 117.28 1u4b n GLU 839 Ca 0.04 0.23 0.09 0.00 -0.01 0.00 0.00 57.16 57.52 1u4b n GLU 839 Cb 0.36 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.30 1u4b n GLU 839 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u4b n GLU 840 N -1.42 1.50 -0.10 3.49 1.02 -0.04 -4.63 120.64 120.47 1u4b n GLU 840 Ca 0.04 -0.99 -0.06 0.00 -0.02 0.00 0.00 57.16 56.13 1u4b n GLU 840 Cb 0.14 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1u4b n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1u4b h MET 841 N 2.31 0.15 -0.85 3.49 2.86 -1.56 -1.27 114.93 120.06 1u4b h MET 841 Ca 0.00 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1u4b h MET 841 Cb 0.67 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1u4b h MET 841 CO 0.00 0.10 0.54 0.93 1.06 0.00 0.00 176.91 179.55 1u4b h GLU 842 N 0.16 1.00 -0.57 1.72 5.08 -1.82 0.08 114.58 120.23 1u4b h GLU 842 Ca 0.16 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1u4b h GLU 842 Cb 0.19 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1u4b h GLU 842 CO -0.23 0.66 -0.08 0.00 -1.00 0.00 0.00 179.01 178.36 1u4b h ARG 843 N 1.03 1.06 -0.45 2.33 2.47 -1.78 -2.99 114.38 116.05 1u4b h ARG 843 Ca 0.35 -0.38 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1u4b h ARG 843 Cb 0.07 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1u4b h ARG 843 CO -0.14 1.08 -0.05 -0.07 0.56 0.00 0.00 179.97 181.35 1u4b h LEU 844 N 0.94 0.75 -2.02 3.04 3.38 -0.47 -0.11 115.31 120.83 1u4b h LEU 844 Ca 0.15 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1u4b h LEU 844 Cb 0.65 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1u4b h LEU 844 CO 0.05 0.85 0.27 0.00 0.09 0.00 0.00 178.44 179.70 1u4b n ARG 846 N -4.37 0.67 0.14 0.00 1.74 -1.00 -4.46 116.66 109.38 1u4b n ARG 846 Ca 0.06 0.25 -0.13 0.00 -0.77 0.00 0.00 57.85 57.26 1u4b n ARG 846 Cb 0.46 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 1u4b n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u4b h LEU 847 N -0.23 -0.31 0.04 0.55 5.85 -0.75 -3.12 115.31 117.32 1u4b h LEU 847 Ca -0.52 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1u4b h LEU 847 Cb 1.84 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 1u4b h LEU 847 CO -0.09 0.03 -0.05 0.58 -0.34 0.00 0.00 178.44 178.56 1u4b h VAL 848 N -0.69 0.88 -0.92 1.05 2.07 -1.46 -1.53 116.25 115.65 1u4b h VAL 848 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1u4b h VAL 848 Cb 0.48 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1u4b h VAL 848 CO 0.06 0.00 0.59 -0.65 0.02 0.00 0.00 177.57 177.59 1u4b h PRO 849 N -0.11 1.24 -0.34 1.57 0.11 -1.75 -1.58 132.00 131.15 1u4b h PRO 849 Ca 0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1u4b h PRO 849 Cb 0.11 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1u4b h PRO 849 CO -0.03 0.84 0.17 1.49 -0.21 0.00 0.00 178.00 180.26 1u4b h GLU 850 N 1.26 0.48 -0.73 1.05 4.57 -1.45 0.14 114.58 119.91 1u4b h GLU 850 Ca 0.34 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1u4b h GLU 850 Cb -0.10 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1u4b h GLU 850 CO -0.07 0.43 0.33 0.28 -1.18 0.00 0.00 179.01 178.80 1u4b h VAL 851 N 0.41 1.24 -0.46 0.32 2.07 -1.04 -0.73 116.25 118.06 1u4b h VAL 851 Ca 0.12 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 1u4b h VAL 851 Cb 0.10 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1u4b h VAL 851 CO -0.02 0.30 -0.25 0.24 0.02 0.00 0.00 177.57 177.86 1u4b h MET 852 N 1.04 0.99 0.00 1.57 2.86 -1.05 -2.31 114.93 118.03 1u4b h MET 852 Ca 0.25 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1u4b h MET 852 Cb 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1u4b h MET 852 CO -0.03 1.12 -0.33 0.93 1.06 0.00 0.00 176.91 179.66 1u4b h GLU 853 N 0.84 0.00 -0.33 1.72 5.08 -0.46 -3.17 114.58 118.26 1u4b h GLU 853 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1u4b h GLU 853 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1u4b h GLU 853 CO 0.07 0.33 0.00 1.04 -1.00 0.00 0.00 179.01 179.45 1u4b n GLN 854 N -3.55 2.41 -0.28 2.33 1.13 -0.30 -4.53 117.38 114.58 1u4b n GLN 854 Ca -0.00 -2.19 0.06 0.00 -1.94 0.00 0.00 57.00 52.93 1u4b n GLN 854 Cb 0.47 -1.48 0.21 0.00 0.11 0.00 0.00 30.24 29.54 1u4b n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u4b h ALA 855 N 4.31 1.19 -2.26 -1.58 0.00 -1.39 -3.42 119.26 116.11 1u4b h ALA 855 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1u4b h ALA 855 Cb 0.96 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1u4b h ALA 855 CO 0.00 -0.14 -0.68 0.14 0.00 0.00 0.00 179.25 178.57 1u4b s VAL 856 N -5.99 0.28 -0.24 0.00 -7.23 -1.26 -4.91 120.40 101.06 1u4b s VAL 856 Ca -0.12 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1u4b s VAL 856 Cb 0.21 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.56 1u4b s VAL 856 CO 0.77 -0.93 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.70 1u4b s THR 857 N -3.88 3.22 0.51 5.32 2.01 -1.26 -4.97 115.64 116.58 1u4b s THR 857 Ca 0.09 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1u4b s THR 857 Cb 0.08 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 70.06 1u4b s THR 857 CO -0.08 0.31 0.36 -0.76 -0.69 0.00 0.00 174.62 173.76 1u4b s LEU 858 N 1.42 2.83 0.08 4.42 1.43 -1.26 -5.01 118.68 122.60 1u4b s LEU 858 Ca 0.04 -1.18 0.21 0.00 -1.03 0.00 0.00 54.13 52.17 1u4b s LEU 858 Cb -0.15 -1.32 0.84 0.00 0.03 0.00 0.00 46.19 45.59 1u4b s LEU 858 CO -0.03 -0.97 1.64 0.54 0.23 0.00 0.00 176.35 177.76 1u4b n ARG 859 N -1.65 0.07 -4.29 1.70 1.74 -1.26 -4.69 116.66 108.27 1u4b n ARG 859 Ca -0.02 0.24 -0.18 0.00 -0.77 0.00 0.00 57.85 57.12 1u4b n ARG 859 Cb 0.64 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1u4b n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u4b s VAL 860 N -3.09 1.54 0.75 1.55 -7.23 -1.26 -5.03 120.40 107.63 1u4b s VAL 860 Ca 0.08 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1u4b s VAL 860 Cb 0.12 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.29 1u4b s VAL 860 CO 0.38 -0.51 1.09 -2.84 -0.31 0.00 0.00 175.10 172.91 1u4b s PRO 861 N -3.18 2.44 -0.03 4.82 0.02 -1.26 -5.04 135.00 132.76 1u4b s PRO 861 Ca 0.16 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1u4b s PRO 861 Cb -0.03 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1u4b s PRO 861 CO 0.05 -1.50 0.01 -0.51 -0.33 0.00 0.00 177.00 174.72 1u4b s LEU 862 N -5.74 3.58 -0.05 -5.54 1.43 -1.26 -5.02 118.68 106.08 1u4b s LEU 862 Ca 0.61 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1u4b s LEU 862 Cb -0.17 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1u4b s LEU 862 CO 0.54 0.32 -0.15 -0.75 0.23 0.00 0.00 176.35 176.54 1u4b s LYS 863 N -1.32 1.71 -0.08 1.70 2.20 -1.26 -4.84 119.74 117.84 1u4b s LYS 863 Ca 0.18 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1u4b s LYS 863 Cb -0.11 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.76 1u4b s LYS 863 CO 0.08 0.15 -0.16 0.08 -0.36 0.00 0.00 175.35 175.13 1u4b s VAL 864 N 0.29 1.49 0.26 4.02 1.01 -1.26 -0.27 120.40 125.94 1u4b s VAL 864 Ca -0.08 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1u4b s VAL 864 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1u4b s VAL 864 CO 0.03 0.43 0.32 -1.81 0.00 0.00 0.00 175.10 174.08 1u4b s ASP 865 N 0.64 6.01 0.06 3.32 1.01 -0.06 -4.91 116.67 122.74 1u4b s ASP 865 Ca -0.14 -0.07 -0.17 0.00 0.71 0.00 0.00 52.55 52.88 1u4b s ASP 865 Cb -0.16 -1.63 0.03 0.00 1.01 0.00 0.00 42.92 42.17 1u4b s ASP 865 CO 0.04 -0.11 0.38 -0.72 0.21 0.00 0.00 175.17 174.97 1u4b s TYR 866 N -2.06 -0.21 0.13 4.23 -0.85 -1.26 -0.77 117.35 116.56 1u4b s TYR 866 Ca 0.35 0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.84 1u4b s TYR 866 Cb -0.09 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1u4b s TYR 866 CO 0.28 -0.59 0.38 -1.01 -1.52 0.00 0.00 175.55 173.09 1u4b s HIS 867 N -2.81 -0.15 0.05 -3.49 0.09 -0.28 -5.01 115.29 103.71 1u4b s HIS 867 Ca -0.03 -0.19 -0.17 0.00 -0.00 0.00 0.00 55.06 54.67 1u4b s HIS 867 Cb -0.00 0.22 0.03 0.00 -0.00 0.00 0.00 32.58 32.84 1u4b s HIS 867 CO -0.05 -0.69 0.40 1.52 -0.00 0.00 0.00 174.74 175.91 1u4b s TYR 868 N -3.82 -0.24 0.04 1.40 -0.85 -1.26 -0.61 117.35 112.02 1u4b s TYR 868 Ca 0.04 0.15 -0.16 0.00 -0.52 0.00 0.00 57.07 56.58 1u4b s TYR 868 Cb 0.02 0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.62 1u4b s TYR 868 CO -0.11 -0.58 0.74 0.41 -1.52 0.00 0.00 175.55 174.49 1u4b n GLY 869 N 0.42 0.58 0.25 5.49 0.00 -0.38 -4.46 105.19 107.08 1u4b n GLY 869 Ca -0.18 -1.01 0.16 0.00 0.00 0.00 0.00 46.02 44.99 1u4b n GLY 869 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u4b h SER 870 N 1.25 0.00 -5.44 1.61 4.64 -1.87 -0.03 113.55 113.71 1u4b h SER 870 Ca -0.15 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.00 1u4b h SER 870 Cb 0.75 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.70 1u4b h SER 870 CO 0.21 0.00 -0.50 0.42 -0.87 0.00 0.00 176.83 176.09 1u4b s THR 871 N -3.57 0.04 0.37 2.95 -4.23 -1.26 -4.29 115.64 105.64 1u4b s THR 871 Ca 0.02 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1u4b s THR 871 Cb 0.09 -2.22 0.28 0.00 1.34 0.00 0.00 72.50 71.99 1u4b s THR 871 CO 0.52 -0.17 1.99 -0.25 -0.54 0.00 0.00 174.62 176.17 1u4b h TRP 872 N 2.61 0.73 -0.64 3.99 7.01 -1.18 -1.54 115.95 126.93 1u4b h TRP 872 Ca -0.33 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.70 1u4b h TRP 872 Cb 1.23 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.02 1u4b h TRP 872 CO 0.39 0.42 0.41 -0.92 -2.79 0.00 0.00 178.44 175.95 1u4b h TYR 873 N 0.75 0.78 0.00 2.65 3.20 -1.72 -2.58 116.97 120.04 1u4b h TYR 873 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1u4b h TYR 873 Cb 0.10 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1u4b h TYR 873 CO -0.00 0.47 0.00 -0.25 -1.64 0.00 0.00 178.16 176.74 1u4b n ASP 874 N -4.67 0.43 -3.00 -2.11 9.92 -0.62 -4.03 116.55 112.48 1u4b n ASP 874 Ca 0.05 0.56 -0.30 0.00 -0.53 0.00 0.00 54.79 54.57 1u4b n ASP 874 Cb 0.04 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.79 1u4b n ASP 874 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u4b n ALA 875 N -1.66 6.85 -0.81 2.24 0.00 -0.95 -4.21 120.51 121.96 1u4b n ALA 875 Ca 0.05 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1u4b n ALA 875 Cb 0.32 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1u4b n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86