#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua1 n ALA 298 N 0.00 -2.11 -2.75 0.00 0.00 -1.26 -4.94 120.51 109.45 1ua1 n ALA 298 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 1ua1 n ALA 298 Cb 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 1ua1 n ALA 298 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ua1 s MET 299 N -1.31 4.08 0.37 0.00 1.75 -1.26 -5.08 119.30 117.85 1ua1 s MET 299 Ca 0.62 -0.18 -0.26 0.00 -1.25 0.00 0.00 55.69 54.63 1ua1 s MET 299 Cb -0.67 -3.38 -0.09 0.00 2.84 0.00 0.00 34.83 33.53 1ua1 s MET 299 CO 0.59 0.37 1.07 0.00 -0.65 0.00 0.00 175.02 176.40 1ua1 s ALA 300 N 0.15 3.17 -0.15 4.11 0.00 -1.26 -5.04 121.76 122.74 1ua1 s ALA 300 Ca 0.10 0.76 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 1ua1 s ALA 300 Cb -0.11 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.85 1ua1 s ALA 300 CO -0.01 -0.21 1.12 -0.59 0.00 0.00 0.00 175.76 176.07 1ua1 s PHE 301 N -1.51 -0.20 -0.26 0.00 -0.12 -1.26 -4.70 117.98 109.93 1ua1 s PHE 301 Ca 0.54 0.16 -0.11 0.00 -0.05 0.00 0.00 56.93 57.46 1ua1 s PHE 301 Cb -0.25 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1ua1 s PHE 301 CO 0.32 -0.29 0.21 0.99 -0.05 0.00 0.00 175.22 176.40 1ua1 s THR 302 N -2.40 5.31 -1.00 -4.49 2.01 -0.24 -4.98 115.64 109.84 1ua1 s THR 302 Ca 0.07 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 1ua1 s THR 302 Cb -0.01 -3.55 0.10 0.00 0.01 0.00 0.00 72.50 69.06 1ua1 s THR 302 CO -0.05 0.28 1.29 -0.22 -0.69 0.00 0.00 174.62 175.22 1ua1 s LEU 303 N 1.51 4.49 0.27 4.42 2.96 -1.26 -1.15 118.68 129.92 1ua1 s LEU 303 Ca 0.09 -1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 51.75 1ua1 s LEU 303 Cb -0.15 -2.46 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 1ua1 s LEU 303 CO 0.08 -1.19 1.11 0.00 -1.32 0.00 0.00 176.35 175.03 1ua1 s ALA 304 N 3.42 3.41 -0.17 5.97 0.00 -0.73 -4.95 121.76 128.71 1ua1 s ALA 304 Ca 0.39 0.90 0.22 0.00 0.00 0.00 0.00 51.96 53.47 1ua1 s ALA 304 Cb -0.03 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 1ua1 s ALA 304 CO -0.08 -0.18 0.79 -0.25 0.00 0.00 0.00 175.76 176.04 1ua1 n ASP 305 N 1.30 0.46 -3.98 0.00 8.00 -1.26 -4.48 116.55 116.59 1ua1 n ASP 305 Ca -0.01 0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.55 1ua1 n ASP 305 Cb 0.45 1.16 -0.08 0.00 -0.02 0.00 0.00 41.12 42.62 1ua1 n ASP 305 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ua1 s ARG 306 N -3.42 0.79 0.08 -1.24 0.52 -1.26 -5.01 118.95 109.41 1ua1 s ARG 306 Ca -0.04 -1.12 -0.25 0.00 -0.52 0.00 0.00 55.73 53.81 1ua1 s ARG 306 Cb 0.12 0.29 -0.06 0.00 0.52 0.00 0.00 34.95 35.81 1ua1 s ARG 306 CO 0.84 -0.22 0.76 0.08 0.02 0.00 0.00 175.30 176.78 1ua1 s VAL 307 N -3.91 4.64 0.26 3.52 1.01 -1.26 -5.08 120.40 119.58 1ua1 s VAL 307 Ca 0.09 1.64 0.12 0.00 0.00 0.00 0.00 61.98 63.82 1ua1 s VAL 307 Cb 0.06 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ua1 s VAL 307 CO -0.08 0.41 -0.21 0.42 0.00 0.00 0.00 175.10 175.64 1ua1 s THR 308 N -0.37 2.42 0.48 3.92 -4.23 -1.26 -5.03 115.64 111.58 1ua1 s THR 308 Ca 0.37 -2.32 0.16 0.00 -1.18 0.00 0.00 61.69 58.72 1ua1 s THR 308 Cb -0.21 -2.25 0.31 0.00 1.34 0.00 0.00 72.50 71.69 1ua1 s THR 308 CO 0.24 -0.35 2.07 -0.08 -0.54 0.00 0.00 174.62 175.95 1ua1 h GLU 309 N 2.48 0.19 -0.04 3.99 4.57 -1.98 -0.26 114.58 123.53 1ua1 h GLU 309 Ca -0.41 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 1ua1 h GLU 309 Cb 1.25 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1ua1 h GLU 309 CO 0.58 0.12 0.04 1.49 -1.18 0.00 0.00 179.01 180.05 1ua1 h GLU 310 N 0.19 0.00 -0.00 1.92 4.81 -2.02 -0.09 114.58 119.40 1ua1 h GLU 310 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ua1 h GLU 310 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ua1 h GLU 310 CO -0.02 0.00 -0.10 -1.33 -0.73 0.00 0.00 179.01 176.82 1ua1 n MET 311 N -4.25 0.18 -1.32 1.92 2.81 -0.11 -3.96 117.12 112.39 1ua1 n MET 311 Ca -0.02 -0.04 -0.23 0.00 -1.81 0.00 0.00 57.70 55.61 1ua1 n MET 311 Cb 0.13 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.26 1ua1 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ua1 n LEU 312 N -1.38 6.02 -4.70 4.03 4.77 -0.05 -5.03 117.00 120.67 1ua1 n LEU 312 Ca 0.09 -4.13 -0.31 0.00 -0.03 0.00 0.00 56.01 51.63 1ua1 n LEU 312 Cb 0.31 -0.73 0.15 0.00 -2.33 0.00 0.00 43.42 40.82 1ua1 n LEU 312 CO 0.27 1.48 0.68 0.00 -1.33 0.00 0.00 177.39 178.49 1ua1 s ALA 313 N -3.53 1.66 -2.00 -1.18 0.00 -1.25 -4.91 121.76 110.54 1ua1 s ALA 313 Ca 0.55 0.48 0.11 0.00 0.00 0.00 0.00 51.96 53.11 1ua1 s ALA 313 Cb 0.46 -3.40 0.68 0.00 0.00 0.00 0.00 23.12 20.87 1ua1 s ALA 313 CO 0.02 -2.50 1.44 -0.40 0.00 0.00 0.00 175.76 174.32 1ua1 n ASP 314 N -4.05 0.00 -3.69 0.00 3.85 -1.26 -4.66 116.55 106.74 1ua1 n ASP 314 Ca 0.11 -1.63 -0.11 0.00 -0.71 0.00 0.00 54.79 52.45 1ua1 n ASP 314 Cb 0.52 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.18 1ua1 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1ua1 s LYS 315 N -2.00 0.32 -0.06 0.11 2.47 -1.25 -0.73 119.74 118.60 1ua1 s LYS 315 Ca 0.17 0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 55.07 1ua1 s LYS 315 Cb 0.08 0.02 0.11 0.00 -1.46 0.00 0.00 37.83 36.58 1ua1 s LYS 315 CO 0.13 -0.19 0.94 0.00 0.16 0.00 0.00 175.35 176.40 1ua1 s ALA 316 N 1.70 -1.88 -0.16 3.13 0.00 -0.44 -4.58 121.76 119.54 1ua1 s ALA 316 Ca -0.07 1.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 1ua1 s ALA 316 Cb -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ua1 s ALA 316 CO -0.12 -0.57 0.49 0.00 0.00 0.00 0.00 175.76 175.56 1ua1 s ALA 317 N -2.49 3.51 -0.05 0.00 0.00 0.04 -0.03 121.76 122.73 1ua1 s ALA 317 Ca 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ua1 s ALA 317 Cb -0.01 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1ua1 s ALA 317 CO -0.05 -0.19 -0.23 -1.17 0.00 0.00 0.00 175.76 174.12 1ua1 s LEU 318 N 1.05 2.03 -0.16 0.00 2.96 0.26 -1.49 118.68 123.33 1ua1 s LEU 318 Ca 0.25 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1ua1 s LEU 318 Cb -0.15 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.30 1ua1 s LEU 318 CO 0.10 0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.56 1ua1 s VAL 319 N -0.12 1.41 -0.45 1.68 1.01 0.01 -4.49 120.40 119.44 1ua1 s VAL 319 Ca -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1ua1 s VAL 319 Cb -0.13 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 34.93 1ua1 s VAL 319 CO 0.03 0.29 0.19 -0.69 0.00 0.00 0.00 175.10 174.92 1ua1 s VAL 320 N 1.53 2.37 -0.16 2.92 1.01 -1.26 -1.03 120.40 125.77 1ua1 s VAL 320 Ca 0.02 -2.92 -0.29 0.00 0.00 0.00 0.00 61.98 58.79 1ua1 s VAL 320 Cb -0.14 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1ua1 s VAL 320 CO -0.09 -0.74 1.25 -0.70 0.00 0.00 0.00 175.10 174.82 1ua1 s GLU 321 N 0.16 4.24 -0.28 2.72 2.56 -0.82 -4.64 118.70 122.64 1ua1 s GLU 321 Ca 0.15 1.65 0.02 0.00 0.00 0.00 0.00 54.97 56.79 1ua1 s GLU 321 Cb -0.24 -3.75 0.08 0.00 2.00 0.00 0.00 34.13 32.22 1ua1 s GLU 321 CO -0.03 -0.69 -0.02 0.08 -0.56 0.00 0.00 175.26 174.04 1ua1 s VAL 322 N 3.42 1.87 0.13 3.70 1.01 -1.26 -0.73 120.40 128.54 1ua1 s VAL 322 Ca 0.54 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 1ua1 s VAL 322 Cb -0.21 -2.19 -0.18 0.00 0.00 0.00 0.00 36.38 33.79 1ua1 s VAL 322 CO 0.14 -0.30 1.30 0.58 0.00 0.00 0.00 175.10 176.83 1ua1 h VAL 323 N 6.66 1.40 -2.72 2.92 2.07 -1.96 -3.45 116.25 121.18 1ua1 h VAL 323 Ca -0.13 -2.45 -0.57 0.00 0.82 0.00 0.00 66.70 64.36 1ua1 h VAL 323 Cb 1.04 2.42 0.08 0.00 -1.52 0.00 0.00 31.29 33.31 1ua1 h VAL 323 CO 0.46 0.73 0.70 -0.62 0.02 0.00 0.00 177.57 178.86 1ua1 n GLU 324 N -3.74 2.18 -0.22 1.57 -0.58 -1.26 -4.88 120.64 113.70 1ua1 n GLU 324 Ca -0.07 0.78 -0.06 0.00 -0.42 0.00 0.00 57.16 57.39 1ua1 n GLU 324 Cb 0.84 -2.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.27 1ua1 n GLU 324 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ua1 h GLU 325 N 4.63 0.85 -5.40 3.49 5.08 -2.03 -3.33 114.58 117.87 1ua1 h GLU 325 Ca -0.45 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.19 1ua1 h GLU 325 Cb 1.26 -0.19 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1ua1 h GLU 325 CO 0.79 0.58 0.21 1.21 -1.00 0.00 0.00 179.01 180.80 1ua1 s ASN 326 N -5.81 6.30 0.00 1.42 3.84 -1.26 -4.93 114.94 114.51 1ua1 s ASN 326 Ca -0.13 -0.50 0.20 0.00 0.21 0.00 0.00 52.86 52.64 1ua1 s ASN 326 Cb 0.13 -2.34 1.10 0.00 -0.55 0.00 0.00 41.25 39.59 1ua1 s ASN 326 CO 0.76 -0.92 1.72 0.00 -2.79 0.00 0.00 177.10 175.87 1ua1 n TYR 327 N 6.52 0.03 -2.11 0.43 0.18 -1.25 -4.71 117.16 116.25 1ua1 n TYR 327 Ca -0.02 -0.01 -0.42 0.00 1.88 0.00 0.00 57.90 59.32 1ua1 n TYR 327 Cb 0.47 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 1ua1 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1ua1 s HIS 328 N -1.97 2.25 -1.37 -3.48 3.76 -1.26 -2.56 115.29 110.66 1ua1 s HIS 328 Ca 0.29 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1ua1 s HIS 328 Cb 0.14 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 30.02 1ua1 s HIS 328 CO 0.23 -3.28 0.00 -3.47 -0.85 0.00 0.00 174.74 167.37 1ua1 n ASP 329 N 6.81 -4.75 -4.95 1.40 2.03 -1.26 -4.95 116.55 110.88 1ua1 n ASP 329 Ca 0.16 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.35 1ua1 n ASP 329 Cb 0.43 -4.00 -0.00 0.00 -0.72 0.00 0.00 41.12 36.83 1ua1 n ASP 329 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ua1 s ALA 330 N -2.79 3.73 0.52 -1.67 0.00 -1.06 -5.08 121.76 115.41 1ua1 s ALA 330 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 1ua1 s ALA 330 Cb 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 1ua1 s ALA 330 CO 0.00 -0.14 1.06 -2.14 0.00 0.00 0.00 175.76 174.54 1ua1 s PRO 331 N -4.40 3.59 -0.31 0.00 0.02 -1.26 -4.96 135.00 127.67 1ua1 s PRO 331 Ca 0.43 1.37 -0.08 0.00 0.02 0.00 0.00 61.00 62.74 1ua1 s PRO 331 Cb -0.10 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.37 1ua1 s PRO 331 CO 0.37 -0.61 0.11 0.42 -0.33 0.00 0.00 177.00 176.95 1ua1 s ILE 332 N -2.06 4.10 -0.62 2.83 1.01 -1.26 -4.37 121.20 120.82 1ua1 s ILE 332 Ca 0.67 -0.72 0.25 0.00 0.00 0.00 0.00 60.65 60.85 1ua1 s ILE 332 Cb -0.18 -3.15 0.21 0.00 0.01 0.00 0.00 42.46 39.36 1ua1 s ILE 332 CO 0.26 0.02 1.57 -0.37 0.00 0.00 0.00 174.94 176.41 1ua1 h VAL 333 N 5.87 0.00 -1.03 2.92 -1.51 -1.32 -3.44 116.25 117.74 1ua1 h VAL 333 Ca -0.30 -0.62 0.37 0.00 -1.23 0.00 0.00 66.70 64.92 1ua1 h VAL 333 Cb 1.12 1.47 -0.17 0.00 -2.13 0.00 0.00 31.29 31.58 1ua1 h VAL 333 CO 0.61 0.00 0.99 -0.83 -1.23 0.00 0.00 177.57 177.11 1ua1 s GLY 334 N -3.78 -0.36 -0.01 5.19 0.00 -1.26 -4.68 107.32 102.43 1ua1 s GLY 334 Ca 0.08 1.41 0.02 0.00 0.00 0.00 0.00 44.72 46.23 1ua1 s GLY 334 CO 0.66 0.39 -0.08 -0.42 0.00 0.00 0.00 173.10 173.65 1ua1 s ILE 335 N -2.03 0.62 -0.02 0.90 1.01 -0.45 -1.95 121.20 119.28 1ua1 s ILE 335 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1ua1 s ILE 335 Cb 0.04 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1ua1 s ILE 335 CO -0.05 0.17 -0.09 0.00 0.00 0.00 0.00 174.94 174.97 1ua1 s ALA 336 N -0.20 0.84 -0.06 9.38 0.00 -0.20 -0.11 121.76 131.41 1ua1 s ALA 336 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1ua1 s ALA 336 Cb -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1ua1 s ALA 336 CO -0.00 0.14 -0.10 0.08 0.00 0.00 0.00 175.76 175.88 1ua1 s VAL 337 N 0.14 0.94 -0.09 0.00 1.01 0.29 -0.81 120.40 121.87 1ua1 s VAL 337 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ua1 s VAL 337 Cb -0.08 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1ua1 s VAL 337 CO 0.00 0.31 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 1ua1 s VAL 338 N 0.73 1.15 0.07 2.92 1.01 -0.56 0.02 120.40 125.74 1ua1 s VAL 338 Ca -0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1ua1 s VAL 338 Cb -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1ua1 s VAL 338 CO 0.03 0.37 0.09 -0.46 0.00 0.00 0.00 175.10 175.13 1ua1 n ASN 339 N 4.36 -0.24 0.31 3.32 0.23 -0.33 -0.78 115.26 122.12 1ua1 n ASN 339 Ca -0.18 -1.37 0.19 0.00 -0.53 0.00 0.00 54.58 52.69 1ua1 n ASN 339 Cb 0.51 0.46 1.03 0.00 -2.08 0.00 0.00 39.78 39.69 1ua1 n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1ua1 h GLU 340 N 0.00 0.00 -0.00 -3.83 4.11 -1.94 -1.15 114.58 111.77 1ua1 h GLU 340 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ua1 h GLU 340 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ua1 h GLU 340 CO 0.07 0.00 -0.43 0.72 0.07 0.00 0.00 179.01 179.44 1ua1 n HIS 341 N -3.30 0.00 0.00 2.06 8.25 -1.26 -5.06 115.22 115.91 1ua1 n HIS 341 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ua1 n HIS 341 Cb 0.18 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1ua1 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ua1 n GLY 342 N 1.44 0.87 3.36 -1.41 0.00 -0.44 -5.08 105.19 103.94 1ua1 n GLY 342 Ca 0.08 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1ua1 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ua1 s ARG 343 N -1.62 3.12 0.03 1.61 0.52 -1.26 -1.19 118.95 120.17 1ua1 s ARG 343 Ca 0.00 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1ua1 s ARG 343 Cb 0.00 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1ua1 s ARG 343 CO 0.00 0.29 -0.09 -0.06 0.02 0.00 0.00 175.30 175.46 1ua1 s PHE 344 N 0.12 0.76 -0.09 -0.53 0.40 0.10 -1.08 117.98 117.67 1ua1 s PHE 344 Ca -0.08 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1ua1 s PHE 344 Cb -0.15 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 1ua1 s PHE 344 CO 0.05 -0.03 -0.21 0.12 0.70 0.00 0.00 175.22 175.85 1ua1 s PHE 345 N -0.94 2.58 -0.04 0.36 5.36 -0.30 -0.55 117.98 124.45 1ua1 s PHE 345 Ca -0.04 -0.79 0.04 0.00 -0.96 0.00 0.00 56.93 55.18 1ua1 s PHE 345 Cb -0.07 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1ua1 s PHE 345 CO 0.01 -0.26 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.83 1ua1 s LEU 346 N 0.09 1.91 0.19 6.12 1.43 0.84 -1.77 118.68 127.48 1ua1 s LEU 346 Ca -0.10 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1ua1 s LEU 346 Cb -0.16 -0.91 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 1ua1 s LEU 346 CO 0.06 0.15 1.15 -0.13 0.23 0.00 0.00 176.35 177.81 1ua1 s ARG 347 N 0.01 4.54 0.20 1.70 0.52 -1.26 -1.34 118.95 123.32 1ua1 s ARG 347 Ca -0.03 1.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.89 1ua1 s ARG 347 Cb -0.11 -3.25 0.20 0.00 0.52 0.00 0.00 34.95 32.31 1ua1 s ARG 347 CO 0.02 -0.01 1.81 -1.00 0.02 0.00 0.00 175.30 176.14 1ua1 h PRO 348 N 5.13 0.66 -0.66 3.54 0.13 -1.85 -1.13 132.00 137.83 1ua1 h PRO 348 Ca -0.44 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 1ua1 h PRO 348 Cb 1.21 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1ua1 h PRO 348 CO 0.73 0.44 0.45 1.05 -0.23 0.00 0.00 178.00 180.44 1ua1 h GLU 349 N 0.68 0.30 0.00 0.86 9.09 -1.92 -0.11 114.58 123.48 1ua1 h GLU 349 Ca 0.28 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.66 1ua1 h GLU 349 Cb 0.13 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1ua1 h GLU 349 CO -0.16 0.20 -0.11 1.15 0.05 0.00 0.00 179.01 180.14 1ua1 h THR 350 N 0.31 0.46 -0.08 -1.06 2.02 -1.79 -3.29 112.91 109.48 1ua1 h THR 350 Ca 0.32 -1.37 0.03 0.00 0.77 0.00 0.00 66.41 66.16 1ua1 h THR 350 Cb 0.82 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1ua1 h THR 350 CO -0.08 0.16 -0.08 0.00 0.37 0.00 0.00 175.52 175.88 1ua1 h ALA 351 N -0.74 -0.02 0.00 6.16 0.00 -1.06 -2.25 119.26 121.35 1ua1 h ALA 351 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ua1 h ALA 351 Cb 0.35 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ua1 h ALA 351 CO -0.01 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 179.97 1ua1 n LEU 352 N -5.22 0.14 -0.08 0.00 4.77 -0.07 -1.62 117.00 114.91 1ua1 n LEU 352 Ca -0.04 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.58 1ua1 n LEU 352 Cb 0.14 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1ua1 n LEU 352 CO 0.26 -0.37 0.02 0.00 -1.33 0.00 0.00 177.39 175.98 1ua1 n ALA 353 N -1.56 4.54 -2.64 -1.18 0.00 -0.89 -4.88 120.51 113.90 1ua1 n ALA 353 Ca 0.03 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1ua1 n ALA 353 Cb 0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 1ua1 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ua1 s ASP 354 N -2.91 6.78 0.24 0.00 -1.08 -0.64 -4.96 116.67 114.10 1ua1 s ASP 354 Ca 0.10 0.97 -0.04 0.00 -0.52 0.00 0.00 52.55 53.05 1ua1 s ASP 354 Cb 0.16 -2.41 0.42 0.00 -1.46 0.00 0.00 42.92 39.63 1ua1 s ASP 354 CO 0.82 -0.48 1.77 -0.65 0.52 0.00 0.00 175.17 177.14 1ua1 h PRO 355 N 7.72 0.59 -0.38 4.34 0.11 -1.90 -1.27 132.00 141.20 1ua1 h PRO 355 Ca -0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1ua1 h PRO 355 Cb 1.10 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1ua1 h PRO 355 CO 0.85 0.39 0.07 1.96 -0.21 0.00 0.00 178.00 181.06 1ua1 h GLN 356 N 0.61 0.63 -0.12 1.05 7.50 -1.93 -0.62 115.11 122.23 1ua1 h GLN 356 Ca 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.38 1ua1 h GLN 356 Cb 0.49 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 1ua1 h GLN 356 CO -0.32 0.68 0.05 0.35 -1.50 0.00 0.00 178.83 178.09 1ua1 h PHE 357 N 0.48 0.18 -0.80 2.96 3.57 -1.72 -0.17 116.94 121.44 1ua1 h PHE 357 Ca 0.12 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1ua1 h PHE 357 Cb 0.35 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1ua1 h PHE 357 CO 0.02 0.28 0.49 0.28 -2.23 0.00 0.00 178.31 177.15 1ua1 h VAL 358 N 0.03 1.04 -0.66 1.41 2.07 -1.19 0.06 116.25 119.01 1ua1 h VAL 358 Ca 0.04 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1ua1 h VAL 358 Cb 0.18 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1ua1 h VAL 358 CO -0.00 0.17 0.28 0.00 0.02 0.00 0.00 177.57 178.03 1ua1 h ALA 359 N 1.38 0.86 -0.91 1.67 0.00 -0.80 -1.88 119.26 119.58 1ua1 h ALA 359 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ua1 h ALA 359 Cb 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1ua1 h ALA 359 CO -0.16 0.46 0.51 2.35 0.00 0.00 0.00 179.25 182.41 1ua1 h TRP 360 N 0.93 1.23 -0.87 0.00 7.01 0.08 -1.52 115.95 122.81 1ua1 h TRP 360 Ca 0.22 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1ua1 h TRP 360 Cb 0.19 -0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 1ua1 h TRP 360 CO 0.01 0.84 0.55 -0.07 -2.79 0.00 0.00 178.44 176.98 1ua1 h LEU 361 N 1.26 1.02 -0.92 0.65 3.38 -0.50 -2.81 115.31 117.38 1ua1 h LEU 361 Ca 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ua1 h LEU 361 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1ua1 h LEU 361 CO -0.05 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1ua1 n GLY 362 N -1.28 0.01 3.56 0.83 0.00 -0.76 -0.71 105.19 106.84 1ua1 n GLY 362 Ca 0.09 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1ua1 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ua1 s ASP 363 N -1.83 6.48 0.61 1.61 -1.08 -0.63 -4.58 116.67 117.25 1ua1 s ASP 363 Ca 0.36 0.09 0.37 0.00 -0.52 0.00 0.00 52.55 52.85 1ua1 s ASP 363 Cb 0.19 -2.40 2.02 0.00 -1.46 0.00 0.00 42.92 41.27 1ua1 s ASP 363 CO 0.31 -0.88 2.26 -0.08 0.52 0.00 0.00 175.17 177.30 1ua1 h GLU 364 N 8.82 0.00 0.00 4.34 4.81 -1.87 -1.71 114.58 128.97 1ua1 h GLU 364 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1ua1 h GLU 364 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ua1 h GLU 364 CO 0.96 0.02 -0.05 0.25 -0.73 0.00 0.00 179.01 179.46 1ua1 n THR 365 N -3.39 0.16 -3.28 0.32 -2.24 -1.26 -4.19 114.28 100.40 1ua1 n THR 365 Ca -0.02 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 1ua1 n THR 365 Cb 0.12 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.82 1ua1 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ua1 s LYS 366 N -3.03 3.04 0.04 -0.78 -0.14 -0.64 -4.90 119.74 113.33 1ua1 s LYS 366 Ca 0.13 -1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 53.30 1ua1 s LYS 366 Cb 0.17 -4.12 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 1ua1 s LYS 366 CO 0.56 -1.13 0.93 0.15 -0.76 0.00 0.00 175.35 175.11 1ua1 s LYS 367 N 2.10 4.60 0.04 1.68 -0.14 0.09 -4.49 119.74 123.62 1ua1 s LYS 367 Ca 0.09 1.36 0.09 0.00 -1.36 0.00 0.00 55.97 56.15 1ua1 s LYS 367 Cb -0.22 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.48 1ua1 s LYS 367 CO 0.09 0.09 -0.26 0.15 -0.76 0.00 0.00 175.35 174.66 1ua1 s LYS 368 N 0.49 1.84 -0.13 1.68 3.01 0.02 -1.33 119.74 125.33 1ua1 s LYS 368 Ca 0.48 -1.09 -0.01 0.00 -1.01 0.00 0.00 55.97 54.34 1ua1 s LYS 368 Cb -0.22 -1.99 -0.02 0.00 -1.01 0.00 0.00 37.83 34.60 1ua1 s LYS 368 CO 0.28 0.52 -0.11 -1.12 0.51 0.00 0.00 175.35 175.43 1ua1 s SER 369 N -1.16 4.22 0.26 2.83 0.01 0.96 -1.25 113.70 119.57 1ua1 s SER 369 Ca 0.12 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1ua1 s SER 369 Cb -0.10 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.53 1ua1 s SER 369 CO 0.02 0.19 0.26 0.23 0.41 0.00 0.00 173.24 174.35 1ua1 n MET 370 N 3.39 0.38 -3.87 12.44 2.81 0.48 -0.58 117.12 132.18 1ua1 n MET 370 Ca -0.18 -2.47 -0.28 0.00 -1.81 0.00 0.00 57.70 52.96 1ua1 n MET 370 Cb 0.53 2.12 -0.16 0.00 -0.71 0.00 0.00 33.22 34.99 1ua1 n MET 370 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1ua1 s PHE 371 N -3.14 1.65 -0.79 2.03 2.19 -1.26 0.18 117.98 118.84 1ua1 s PHE 371 Ca 0.29 -1.11 -0.04 0.00 0.33 0.00 0.00 56.93 56.40 1ua1 s PHE 371 Cb 0.01 -1.29 -0.05 0.00 -1.31 0.00 0.00 43.02 40.38 1ua1 s PHE 371 CO 0.20 -0.63 0.69 -3.47 1.83 0.00 0.00 175.22 173.85 1ua1 n ASP 372 N 4.88 -5.48 0.26 6.13 -0.08 -1.26 -4.90 116.55 116.10 1ua1 n ASP 372 Ca -0.11 -0.53 0.11 0.00 -1.51 0.00 0.00 54.79 52.75 1ua1 n ASP 372 Cb 0.47 -4.04 0.71 0.00 2.34 0.00 0.00 41.12 40.60 1ua1 n ASP 372 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1ua1 h SER 373 N -0.81 0.00 -0.84 1.67 4.64 -1.95 -2.52 113.55 113.73 1ua1 h SER 373 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1ua1 h SER 373 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1ua1 h SER 373 CO 0.33 0.10 0.42 0.50 -0.87 0.00 0.00 176.83 177.31 1ua1 h LYS 374 N 0.00 1.21 -0.10 4.77 3.64 -1.91 0.23 116.57 124.42 1ua1 h LYS 374 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1ua1 h LYS 374 Cb 0.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ua1 h LYS 374 CO 0.01 0.92 0.06 -0.09 -2.27 0.00 0.00 179.45 178.08 1ua1 h ARG 375 N 1.20 0.12 -0.18 1.90 2.43 -1.82 -0.40 114.38 117.62 1ua1 h ARG 375 Ca 0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1ua1 h ARG 375 Cb 0.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ua1 h ARG 375 CO -0.04 0.08 0.06 0.00 -1.51 0.00 0.00 179.97 178.56 1ua1 h ALA 376 N 1.04 0.24 -0.46 2.80 0.00 -1.47 -2.01 119.26 119.40 1ua1 h ALA 376 Ca 0.04 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ua1 h ALA 376 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1ua1 h ALA 376 CO -0.02 -0.15 0.16 0.00 0.00 0.00 0.00 179.25 179.24 1ua1 h ALA 377 N 0.89 0.55 -0.25 0.00 0.00 -0.36 -0.56 119.26 119.53 1ua1 h ALA 377 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ua1 h ALA 377 Cb 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ua1 h ALA 377 CO -0.00 -0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.21 1ua1 h VAL 378 N 0.33 1.29 -0.64 0.00 2.07 -1.03 0.43 116.25 118.70 1ua1 h VAL 378 Ca 0.22 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1ua1 h VAL 378 Cb 0.22 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1ua1 h VAL 378 CO -0.22 0.35 0.43 0.00 0.02 0.00 0.00 177.57 178.14 1ua1 h ALA 379 N 0.75 1.70 -0.01 1.67 0.00 -1.11 -1.05 119.26 121.21 1ua1 h ALA 379 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1ua1 h ALA 379 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ua1 h ALA 379 CO 0.03 0.21 -0.88 -0.07 0.00 0.00 0.00 179.25 178.55 1ua1 h LEU 380 N 0.71 0.38 -1.07 0.00 3.38 -0.89 -3.12 115.31 114.70 1ua1 h LEU 380 Ca 0.27 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ua1 h LEU 380 Cb 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1ua1 h LEU 380 CO -0.08 1.09 0.63 0.11 0.09 0.00 0.00 178.44 180.28 1ua1 h LYS 381 N 0.17 1.23 0.00 1.13 1.57 0.35 0.10 116.57 121.12 1ua1 h LYS 381 Ca -0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1ua1 h LYS 381 Cb 1.50 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ua1 h LYS 381 CO 0.14 0.81 -0.04 -1.49 -0.57 0.00 0.00 179.45 178.31 1ua1 h TRP 382 N 1.27 0.00 -0.37 -1.35 4.06 -1.30 -1.36 115.95 116.90 1ua1 h TRP 382 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 1ua1 h TRP 382 Cb -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1ua1 h TRP 382 CO -0.00 0.04 0.00 1.63 -3.56 0.00 0.00 178.44 176.55 1ua1 n LYS 383 N -3.21 2.40 -1.33 0.49 5.02 -0.19 -4.94 118.16 116.40 1ua1 n LYS 383 Ca -0.01 -2.11 -0.05 0.00 -2.02 0.00 0.00 58.31 54.12 1ua1 n LYS 383 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1ua1 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ua1 n GLY 384 N 1.45 0.64 3.38 0.72 0.00 -0.51 -5.03 105.19 105.84 1ua1 n GLY 384 Ca 0.19 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1ua1 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua1 s ILE 385 N -2.19 3.12 -0.11 -0.61 1.01 0.18 -4.99 121.20 117.61 1ua1 s ILE 385 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 1ua1 s ILE 385 Cb 0.00 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1ua1 s ILE 385 CO 0.00 0.52 0.43 -0.70 0.00 0.00 0.00 174.94 175.19 1ua1 s GLU 386 N 0.37 4.26 -0.23 2.79 2.12 -1.26 -3.37 118.70 123.38 1ua1 s GLU 386 Ca -0.10 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 55.53 1ua1 s GLU 386 Cb -0.16 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1ua1 s GLU 386 CO 0.05 0.25 0.04 -1.17 -0.54 0.00 0.00 175.26 173.90 1ua1 s LEU 387 N 0.34 3.38 0.28 2.70 2.96 -1.26 -2.88 118.68 124.19 1ua1 s LEU 387 Ca 0.24 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1ua1 s LEU 387 Cb -0.15 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 1ua1 s LEU 387 CO 0.09 0.00 0.07 0.00 -1.32 0.00 0.00 176.35 175.20 1ua1 n GLY 389 N -0.54 0.47 3.59 0.00 0.00 -1.26 -4.65 105.19 102.80 1ua1 n GLY 389 Ca -0.01 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1ua1 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua1 s VAL 390 N -1.95 3.73 -1.40 1.61 1.01 -1.26 -0.80 120.40 121.33 1ua1 s VAL 390 Ca 0.00 0.71 0.22 0.00 0.00 0.00 0.00 61.98 62.91 1ua1 s VAL 390 Cb 0.00 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1ua1 s VAL 390 CO 0.00 -0.77 1.00 -1.54 0.00 0.00 0.00 175.10 173.79 1ua1 n SER 391 N 9.64 1.37 -3.67 3.32 3.41 -0.38 -4.90 113.62 122.40 1ua1 n SER 391 Ca 0.18 -1.17 -0.08 0.00 -0.26 0.00 0.00 58.87 57.54 1ua1 n SER 391 Cb 0.48 0.76 -0.09 0.00 -0.26 0.00 0.00 64.21 65.10 1ua1 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ua1 s PHE 392 N -2.79 -0.84 -0.27 7.33 5.36 -1.21 -5.00 117.98 120.55 1ua1 s PHE 392 Ca 0.12 1.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.80 1ua1 s PHE 392 Cb 0.17 0.44 0.07 0.00 -0.34 0.00 0.00 43.02 43.36 1ua1 s PHE 392 CO 0.75 -0.45 -0.06 0.34 -1.46 0.00 0.00 175.22 174.33 1ua1 s ASP 393 N 1.78 4.40 0.39 6.13 -1.08 -1.26 -0.39 116.67 126.65 1ua1 s ASP 393 Ca -0.08 -1.53 0.07 0.00 -0.52 0.00 0.00 52.55 50.49 1ua1 s ASP 393 Cb -0.08 -1.48 0.82 0.00 -1.46 0.00 0.00 42.92 40.72 1ua1 s ASP 393 CO -0.16 -0.24 2.00 0.25 0.52 0.00 0.00 175.17 177.54 1ua1 h LEU 394 N 7.78 0.55 -0.05 -1.34 5.85 -0.65 -1.67 115.31 125.79 1ua1 h LEU 394 Ca -0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ua1 h LEU 394 Cb 1.04 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1ua1 h LEU 394 CO 0.46 0.37 0.03 0.25 -0.34 0.00 0.00 178.44 179.21 1ua1 h LEU 395 N 0.64 0.06 -1.05 2.25 5.85 -1.91 -0.64 115.31 120.51 1ua1 h LEU 395 Ca 0.24 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1ua1 h LEU 395 Cb 0.17 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ua1 h LEU 395 CO -0.07 0.12 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.81 1ua1 h LEU 396 N -0.01 0.35 -0.19 2.25 3.38 -1.85 -1.13 115.31 118.11 1ua1 h LEU 396 Ca 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ua1 h LEU 396 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ua1 h LEU 396 CO -0.00 0.62 0.03 0.00 0.09 0.00 0.00 178.44 179.17 1ua1 h ALA 397 N 1.41 0.26 -0.58 1.53 0.00 -1.08 -1.58 119.26 119.22 1ua1 h ALA 397 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ua1 h ALA 397 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ua1 h ALA 397 CO 0.05 -0.07 0.26 0.00 0.00 0.00 0.00 179.25 179.49 1ua1 h ALA 398 N 0.82 0.75 -0.46 0.00 0.00 -0.96 -1.66 119.26 117.75 1ua1 h ALA 398 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ua1 h ALA 398 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ua1 h ALA 398 CO 0.00 0.33 0.20 -0.92 0.00 0.00 0.00 179.25 178.87 1ua1 h TYR 399 N 0.79 0.37 -0.43 0.00 3.20 -1.06 -1.52 116.97 118.33 1ua1 h TYR 399 Ca 0.20 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1ua1 h TYR 399 Cb 0.15 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1ua1 h TYR 399 CO 0.00 0.17 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.46 1ua1 h LEU 400 N 0.41 0.81 -0.76 2.82 3.38 -1.06 -2.01 115.31 118.90 1ua1 h LEU 400 Ca 0.21 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ua1 h LEU 400 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ua1 h LEU 400 CO -0.17 0.97 -0.02 -0.07 0.09 0.00 0.00 178.44 179.25 1ua1 h LEU 401 N 0.72 0.91 -5.85 1.67 3.38 -0.89 -3.40 115.31 111.84 1ua1 h LEU 401 Ca 0.11 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ua1 h LEU 401 Cb 0.67 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 40.99 1ua1 h LEU 401 CO 0.05 0.97 -0.28 -0.62 0.09 0.00 0.00 178.44 178.66 1ua1 s ASP 402 N -6.62 -1.11 0.53 -0.43 2.15 -0.61 -4.98 116.67 105.60 1ua1 s ASP 402 Ca -0.10 -0.21 0.19 0.00 0.43 0.00 0.00 52.55 52.86 1ua1 s ASP 402 Cb 0.14 1.55 1.34 0.00 -0.30 0.00 0.00 42.92 45.65 1ua1 s ASP 402 CO 0.84 -0.16 2.12 -0.65 -0.17 0.00 0.00 175.17 177.14 1ua1 h PRO 403 N 7.05 0.00 0.00 4.34 0.11 -1.58 -2.49 132.00 139.43 1ua1 h PRO 403 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1ua1 h PRO 403 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ua1 h PRO 403 CO 0.04 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 177.73 1ua1 h ALA 404 N 1.93 1.05 0.00 -0.75 0.00 -1.92 -3.05 119.26 116.53 1ua1 h ALA 404 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ua1 h ALA 404 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ua1 h ALA 404 CO -0.00 0.13 -0.14 0.37 0.00 0.00 0.00 179.25 179.62 1ua1 h GLN 405 N 0.00 0.00 -2.14 0.00 5.75 -1.82 -3.46 115.11 113.43 1ua1 h GLN 405 Ca -0.00 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 1ua1 h GLN 405 Cb 0.56 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.13 1ua1 h GLN 405 CO 0.01 0.14 -0.26 0.41 -2.65 0.00 0.00 178.83 176.48 1ua1 n GLY 406 N -0.95 0.14 3.66 2.39 0.00 -1.15 -4.95 105.19 104.34 1ua1 n GLY 406 Ca -0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1ua1 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua1 s VAL 407 N -2.77 3.22 0.00 1.61 1.01 -1.26 -4.82 120.40 117.38 1ua1 s VAL 407 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1ua1 s VAL 407 Cb -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1ua1 s VAL 407 CO 0.15 -0.02 0.43 -0.90 0.00 0.00 0.00 175.10 174.76 1ua1 n ASP 408 N 7.29 0.67 -3.76 3.32 5.75 -1.26 -4.94 116.55 123.62 1ua1 n ASP 408 Ca 0.19 -1.18 -0.10 0.00 -0.01 0.00 0.00 54.79 53.69 1ua1 n ASP 408 Cb 0.42 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 1ua1 n ASP 408 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1ua1 s ASP 409 N -0.18 -0.21 0.30 -1.12 -4.77 -1.26 -5.04 116.67 104.38 1ua1 s ASP 409 Ca 0.00 -0.52 0.00 0.00 -3.30 0.00 0.00 52.55 48.73 1ua1 s ASP 409 Cb 0.00 0.55 0.51 0.00 -1.09 0.00 0.00 42.92 42.89 1ua1 s ASP 409 CO 0.00 -1.01 1.92 0.58 0.70 0.00 0.00 175.17 177.36 1ua1 h VAL 410 N 2.27 1.08 -0.77 2.11 2.07 -1.98 -2.55 116.25 118.48 1ua1 h VAL 410 Ca -0.30 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1ua1 h VAL 410 Cb 1.26 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1ua1 h VAL 410 CO 0.40 0.19 0.44 0.00 0.02 0.00 0.00 177.57 178.62 1ua1 h ALA 411 N 1.50 0.99 -0.76 1.67 0.00 -1.88 -0.11 119.26 120.67 1ua1 h ALA 411 Ca 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ua1 h ALA 411 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ua1 h ALA 411 CO -0.14 0.48 0.37 0.00 0.00 0.00 0.00 179.25 179.96 1ua1 h ALA 412 N 1.23 0.98 -0.10 0.00 0.00 -1.85 -1.07 119.26 118.46 1ua1 h ALA 412 Ca 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ua1 h ALA 412 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ua1 h ALA 412 CO -0.05 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 1ua1 h ALA 413 N 1.19 0.14 -0.55 0.00 0.00 -1.26 -3.10 119.26 115.68 1ua1 h ALA 413 Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ua1 h ALA 413 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ua1 h ALA 413 CO -0.03 -0.13 0.36 0.00 0.00 0.00 0.00 179.25 179.46 1ua1 h ALA 414 N 0.67 1.84 0.00 0.00 0.00 -0.82 -1.48 119.26 119.47 1ua1 h ALA 414 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ua1 h ALA 414 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ua1 h ALA 414 CO 0.01 0.07 -0.09 -0.22 0.00 0.00 0.00 179.25 179.02 1ua1 h LYS 415 N 0.52 0.00 0.00 0.00 3.64 -1.12 -0.96 116.57 118.65 1ua1 h LYS 415 Ca 0.23 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1ua1 h LYS 415 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ua1 h LYS 415 CO -0.06 0.09 -0.11 0.52 -2.27 0.00 0.00 179.45 177.62 1ua1 h MET 416 N 0.00 0.00 -0.28 1.90 2.86 -1.31 -2.21 114.93 115.90 1ua1 h MET 416 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1ua1 h MET 416 Cb 0.25 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.82 1ua1 h MET 416 CO 0.01 0.11 -0.18 1.63 1.06 0.00 0.00 176.91 179.54 1ua1 n LYS 417 N -3.79 1.78 -3.36 1.72 4.01 -0.65 -4.96 118.16 112.91 1ua1 n LYS 417 Ca -0.02 -3.22 -0.24 0.00 -0.51 0.00 0.00 58.31 54.31 1ua1 n LYS 417 Cb 0.21 -1.77 0.01 0.00 -0.51 0.00 0.00 35.03 32.97 1ua1 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1ua1 n GLN 418 N -1.13 -4.30 -3.84 1.97 1.13 -0.83 -4.96 117.38 105.42 1ua1 n GLN 418 Ca 0.30 0.63 -0.36 0.00 -1.94 0.00 0.00 57.00 55.64 1ua1 n GLN 418 Cb 0.96 -5.43 -0.13 0.00 0.11 0.00 0.00 30.24 25.75 1ua1 n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1ua1 s TYR 419 N -3.07 3.03 -0.07 1.08 6.14 -0.46 -4.98 117.35 119.02 1ua1 s TYR 419 Ca 0.42 -0.86 0.11 0.00 0.64 0.00 0.00 57.07 57.38 1ua1 s TYR 419 Cb -0.21 -2.16 0.16 0.00 0.42 0.00 0.00 41.96 40.17 1ua1 s TYR 419 CO 0.52 -0.52 1.07 0.39 0.64 0.00 0.00 175.55 177.65 1ua1 n GLU 420 N 4.83 0.80 -1.01 4.97 1.02 -1.26 -3.09 120.64 126.90 1ua1 n GLU 420 Ca -0.17 -1.88 -0.15 0.00 -0.02 0.00 0.00 57.16 54.94 1ua1 n GLU 420 Cb 0.50 -1.07 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 1ua1 n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ua1 n ALA 421 N -0.81 5.60 -3.63 0.62 0.00 -1.26 -4.75 120.51 116.28 1ua1 n ALA 421 Ca 0.09 -1.78 -0.13 0.00 0.00 0.00 0.00 53.44 51.62 1ua1 n ALA 421 Cb 0.65 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 1ua1 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ua1 s VAL 422 N -1.02 0.00 0.25 0.00 0.11 -1.26 -4.89 120.40 113.59 1ua1 s VAL 422 Ca 0.42 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 1ua1 s VAL 422 Cb 0.26 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.04 1ua1 s VAL 422 CO -0.06 0.00 0.55 -0.13 -3.33 0.00 0.00 175.10 172.12 1ua1 s ARG 423 N 0.27 3.74 0.52 1.54 0.52 -1.26 -4.82 118.95 119.47 1ua1 s ARG 423 Ca 0.00 0.18 -0.21 0.00 -0.52 0.00 0.00 55.73 55.18 1ua1 s ARG 423 Cb -0.05 -2.65 -0.06 0.00 0.52 0.00 0.00 34.95 32.72 1ua1 s ARG 423 CO -0.00 0.28 1.21 -2.14 0.02 0.00 0.00 175.30 174.67 1ua1 s PRO 424 N -3.05 3.38 0.23 3.54 0.02 -1.26 -4.54 135.00 133.32 1ua1 s PRO 424 Ca 0.46 1.87 -0.07 0.00 0.02 0.00 0.00 61.00 63.28 1ua1 s PRO 424 Cb -0.11 -2.21 0.28 0.00 0.02 0.00 0.00 34.50 32.49 1ua1 s PRO 424 CO 0.24 -0.89 1.85 -0.44 -0.33 0.00 0.00 177.00 177.44 1ua1 h ASP 425 N 1.53 0.81 -0.51 2.53 3.32 -1.96 -1.99 116.42 120.15 1ua1 h ASP 425 Ca -0.50 0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.61 1ua1 h ASP 425 Cb 1.27 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1ua1 h ASP 425 CO 0.58 0.54 0.34 -0.08 -1.72 0.00 0.00 179.24 178.89 1ua1 h GLU 426 N 0.95 0.47 0.00 3.56 4.81 -1.91 0.11 114.58 122.58 1ua1 h GLU 426 Ca 0.35 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1ua1 h GLU 426 Cb 0.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ua1 h GLU 426 CO -0.15 0.31 -0.45 0.00 -0.73 0.00 0.00 179.01 177.99 1ua1 h ALA 427 N 1.72 1.24 0.08 2.92 0.00 -1.67 0.20 119.26 123.75 1ua1 h ALA 427 Ca 0.21 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1ua1 h ALA 427 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ua1 h ALA 427 CO -0.06 0.57 -1.42 0.28 0.00 0.00 0.00 179.25 178.62 1ua1 h VAL 428 N 0.00 0.95 -0.00 0.00 2.07 -1.04 -3.38 116.25 114.84 1ua1 h VAL 428 Ca -0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1ua1 h VAL 428 Cb 0.81 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1ua1 h VAL 428 CO 0.06 0.63 -0.53 -1.22 0.02 0.00 0.00 177.57 176.53 1ua1 n TYR 429 N -4.01 0.00 -2.22 1.57 4.01 0.23 -4.66 117.16 112.09 1ua1 n TYR 429 Ca -0.28 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.48 1ua1 n TYR 429 Cb 0.85 -0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.66 1ua1 n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ua1 n GLY 430 N 1.49 -2.03 2.94 2.72 0.00 0.70 -1.15 105.19 109.85 1ua1 n GLY 430 Ca 0.06 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1ua1 n GLY 430 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ua1 s LYS 431 N -0.64 0.25 5.78 1.61 2.20 -1.26 -4.67 119.74 123.01 1ua1 s LYS 431 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1ua1 s LYS 431 Cb 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1ua1 s LYS 431 CO 0.00 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1ua1 n GLY 432 N 2.54 2.13 0.35 5.54 0.00 -1.26 -3.13 105.19 111.36 1ua1 n GLY 432 Ca -0.16 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.45 1ua1 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua1 h ALA 433 N -0.63 1.92 0.00 4.61 0.00 -2.00 0.01 119.26 123.16 1ua1 h ALA 433 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ua1 h ALA 433 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ua1 h ALA 433 CO 0.00 -0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.83 1ua1 n LYS 434 N -4.48 0.67 -1.75 0.00 5.02 -1.18 -4.87 118.16 111.56 1ua1 n LYS 434 Ca 0.10 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1ua1 n LYS 434 Cb 0.32 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1ua1 n LYS 434 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ua1 n ARG 435 N -1.15 2.32 -3.61 1.97 0.63 -0.01 -4.60 116.66 112.21 1ua1 n ARG 435 Ca 0.18 0.82 -0.05 0.00 -0.92 0.00 0.00 57.85 57.88 1ua1 n ARG 435 Cb 0.17 -2.57 -0.04 0.00 0.45 0.00 0.00 32.46 30.46 1ua1 n ARG 435 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ua1 s ALA 436 N -1.16 -2.05 -0.19 5.13 0.00 -0.30 -4.99 121.76 118.20 1ua1 s ALA 436 Ca 0.58 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 54.01 1ua1 s ALA 436 Cb -0.48 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 1ua1 s ALA 436 CO 0.60 -0.32 0.91 0.08 0.00 0.00 0.00 175.76 177.03 1ua1 s VAL 437 N -1.29 4.81 1.08 0.00 1.01 -1.26 -4.49 120.40 120.25 1ua1 s VAL 437 Ca 0.05 1.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 1ua1 s VAL 437 Cb -0.01 -4.20 0.23 0.00 0.00 0.00 0.00 36.38 32.40 1ua1 s VAL 437 CO -0.04 -0.05 1.11 -2.16 0.00 0.00 0.00 175.10 173.96 1ua1 s PRO 438 N 2.54 -0.20 0.91 2.72 0.04 -1.26 -5.00 135.00 134.75 1ua1 s PRO 438 Ca 0.40 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.55 1ua1 s PRO 438 Cb -0.16 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.83 1ua1 s PRO 438 CO 0.10 -3.09 1.15 -0.51 0.04 0.00 0.00 177.00 174.69 1ua1 s ASP 439 N -3.74 2.93 0.24 6.66 1.01 -1.26 -4.54 116.67 117.97 1ua1 s ASP 439 Ca 0.68 2.20 -0.06 0.00 0.71 0.00 0.00 52.55 56.07 1ua1 s ASP 439 Cb -0.14 -2.57 0.42 0.00 1.01 0.00 0.00 42.92 41.64 1ua1 s ASP 439 CO 0.56 -3.10 1.68 -0.08 0.21 0.00 0.00 175.17 174.45 1ua1 h GLU 440 N -1.85 0.23 -0.91 8.23 4.81 -1.98 0.42 114.58 123.53 1ua1 h GLU 440 Ca -0.43 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1ua1 h GLU 440 Cb 1.27 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1ua1 h GLU 440 CO 0.42 0.15 0.59 -1.35 -0.73 0.00 0.00 179.01 178.09 1ua1 h PRO 441 N 0.24 1.14 -0.10 0.92 0.11 -1.99 0.22 132.00 132.53 1ua1 h PRO 441 Ca 0.39 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 66.23 1ua1 h PRO 441 Cb 0.65 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1ua1 h PRO 441 CO -0.51 0.75 -0.71 0.28 -0.21 0.00 0.00 178.00 177.60 1ua1 h VAL 442 N 1.17 1.32 0.43 3.15 2.07 -1.74 -2.93 116.25 119.72 1ua1 h VAL 442 Ca 0.35 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1ua1 h VAL 442 Cb -0.05 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1ua1 h VAL 442 CO -0.10 0.61 -0.20 0.25 0.02 0.00 0.00 177.57 178.14 1ua1 h LEU 443 N 0.32 -0.48 -0.80 2.57 6.46 -0.62 -2.51 115.31 120.25 1ua1 h LEU 443 Ca -0.06 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.77 1ua1 h LEU 443 Cb 1.36 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.35 1ua1 h LEU 443 CO 0.15 -0.31 0.46 0.00 -0.62 0.00 0.00 178.44 178.11 1ua1 h ALA 444 N -0.06 1.12 -0.46 1.25 0.00 -0.66 -1.45 119.26 119.00 1ua1 h ALA 444 Ca -0.06 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ua1 h ALA 444 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ua1 h ALA 444 CO 0.10 0.11 -0.15 1.49 0.00 0.00 0.00 179.25 180.79 1ua1 h GLU 445 N 0.79 0.88 0.11 0.00 4.81 -1.48 -1.38 114.58 118.30 1ua1 h GLU 445 Ca 0.37 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ua1 h GLU 445 Cb 0.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ua1 h GLU 445 CO -0.23 0.97 -0.05 1.25 -0.73 0.00 0.00 179.01 180.22 1ua1 h HIS 446 N 0.78 -0.13 -0.91 0.92 2.76 -0.92 -0.65 115.15 117.00 1ua1 h HIS 446 Ca 0.12 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1ua1 h HIS 446 Cb 0.68 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 1ua1 h HIS 446 CO 0.04 -0.01 0.59 -0.07 -1.30 0.00 0.00 177.93 177.18 1ua1 h LEU 447 N -0.23 1.05 -0.60 0.26 3.38 -1.21 -1.16 115.31 116.81 1ua1 h LEU 447 Ca -0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1ua1 h LEU 447 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ua1 h LEU 447 CO 0.02 0.78 -0.15 0.58 0.09 0.00 0.00 178.44 179.76 1ua1 h VAL 448 N 1.24 1.27 -0.26 1.22 2.07 -1.07 -1.40 116.25 119.32 1ua1 h VAL 448 Ca 0.33 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 1ua1 h VAL 448 Cb -0.12 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ua1 h VAL 448 CO -0.07 0.45 -0.23 0.03 0.02 0.00 0.00 177.57 177.77 1ua1 h ARG 449 N 0.85 0.49 -0.34 1.57 3.08 -0.58 0.14 114.38 119.58 1ua1 h ARG 449 Ca 0.13 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1ua1 h ARG 449 Cb 0.70 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1ua1 h ARG 449 CO 0.05 0.69 -0.14 0.87 -1.07 0.00 0.00 179.97 180.37 1ua1 h LYS 450 N 0.43 0.69 -0.64 0.04 1.57 -1.03 0.14 116.57 117.78 1ua1 h LYS 450 Ca 0.07 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1ua1 h LYS 450 Cb 0.64 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1ua1 h LYS 450 CO 0.05 0.89 0.26 0.00 -0.57 0.00 0.00 179.45 180.08 1ua1 h ALA 451 N 0.79 0.84 -0.65 3.86 0.00 -0.97 -1.55 119.26 121.58 1ua1 h ALA 451 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ua1 h ALA 451 Cb 0.66 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ua1 h ALA 451 CO 0.04 0.45 0.34 0.00 0.00 0.00 0.00 179.25 180.08 1ua1 h ALA 452 N 1.11 0.83 -0.25 0.00 0.00 -0.52 0.43 119.26 120.87 1ua1 h ALA 452 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ua1 h ALA 452 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ua1 h ALA 452 CO -0.02 0.37 0.12 0.00 0.00 0.00 0.00 179.25 179.71 1ua1 h ALA 453 N 1.16 0.32 -0.51 0.00 0.00 -0.67 -1.09 119.26 118.47 1ua1 h ALA 453 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ua1 h ALA 453 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ua1 h ALA 453 CO -0.03 -0.11 0.34 0.82 0.00 0.00 0.00 179.25 180.26 1ua1 h ILE 454 N 0.26 1.12 -0.53 0.00 2.04 -1.03 0.30 117.51 119.68 1ua1 h ILE 454 Ca 0.08 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1ua1 h ILE 454 Cb 0.13 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1ua1 h ILE 454 CO -0.01 0.13 0.25 -0.25 0.00 0.00 0.00 178.15 178.26 1ua1 h TRP 455 N 0.69 0.45 -0.16 1.37 2.91 -0.60 -2.19 115.95 118.41 1ua1 h TRP 455 Ca 0.19 0.02 -0.21 0.00 1.13 0.00 0.00 58.89 60.02 1ua1 h TRP 455 Cb -0.07 -0.12 0.01 0.00 -0.51 0.00 0.00 29.16 28.46 1ua1 h TRP 455 CO -0.04 0.20 -0.73 1.49 -1.03 0.00 0.00 178.44 178.32 1ua1 h GLU 456 N 0.47 0.74 0.00 2.65 4.57 -0.73 -3.35 114.58 118.94 1ua1 h GLU 456 Ca 0.24 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1ua1 h GLU 456 Cb 0.19 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1ua1 h GLU 456 CO -0.19 1.20 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.74 1ua1 h LEU 457 N 0.52 0.00 -0.23 1.64 3.38 -0.22 -3.38 115.31 117.02 1ua1 h LEU 457 Ca -0.04 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1ua1 h LEU 457 Cb 1.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 1ua1 h LEU 457 CO 0.15 0.00 -0.32 -0.08 0.09 0.00 0.00 178.44 178.28 1ua1 h GLU 458 N 0.00 -0.32 0.46 1.13 4.81 -1.53 -1.67 114.58 117.45 1ua1 h GLU 458 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ua1 h GLU 458 Cb 0.85 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1ua1 h GLU 458 CO 0.00 -0.22 -0.42 -0.09 -0.73 0.00 0.00 179.01 177.56 1ua1 h ARG 459 N -0.34 -0.85 -0.67 1.92 9.65 -1.84 -0.28 114.38 121.97 1ua1 h ARG 459 Ca 0.12 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 1ua1 h ARG 459 Cb 0.54 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.27 1ua1 h ARG 459 CO -0.42 -0.56 0.44 -1.00 2.80 0.00 0.00 179.97 181.24 1ua1 h PRO 460 N -0.88 0.71 -0.22 0.20 0.13 -1.76 -0.04 132.00 130.14 1ua1 h PRO 460 Ca -0.05 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1ua1 h PRO 460 Cb 0.77 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1ua1 h PRO 460 CO -0.04 0.47 -0.11 0.74 -0.23 0.00 0.00 178.00 178.83 1ua1 h PHE 461 N 0.73 0.53 -0.56 1.56 -1.00 -1.07 -2.15 116.94 114.98 1ua1 h PHE 461 Ca 0.28 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 1ua1 h PHE 461 Cb 0.20 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1ua1 h PHE 461 CO -0.00 0.74 0.18 -0.07 -1.61 0.00 0.00 178.31 177.55 1ua1 h LEU 462 N 0.17 0.76 -0.57 1.54 3.38 -0.58 -1.43 115.31 118.58 1ua1 h LEU 462 Ca 0.05 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ua1 h LEU 462 Cb 0.60 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ua1 h LEU 462 CO 0.03 0.72 0.02 0.44 0.09 0.00 0.00 178.44 179.73 1ua1 h ASP 463 N 0.81 0.97 -0.37 -0.43 3.32 -0.94 -1.26 116.42 118.51 1ua1 h ASP 463 Ca 0.19 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 1ua1 h ASP 463 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ua1 h ASP 463 CO -0.01 1.03 -0.30 -0.08 -1.72 0.00 0.00 179.24 178.16 1ua1 h GLU 464 N 0.89 0.90 -0.88 3.56 4.81 -1.10 -1.59 114.58 121.16 1ua1 h GLU 464 Ca 0.16 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1ua1 h GLU 464 Cb 0.53 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1ua1 h GLU 464 CO 0.03 1.08 0.58 -0.07 -0.73 0.00 0.00 179.01 179.90 1ua1 h LEU 465 N 0.76 1.01 -0.48 1.64 3.38 -1.09 -0.37 115.31 120.16 1ua1 h LEU 465 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ua1 h LEU 465 Cb 0.87 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ua1 h LEU 465 CO 0.08 0.73 0.21 0.03 0.09 0.00 0.00 178.44 179.58 1ua1 h ARG 466 N 1.19 0.70 -0.60 1.13 3.08 -0.97 0.48 114.38 119.40 1ua1 h ARG 466 Ca 0.33 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ua1 h ARG 466 Cb -0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 1ua1 h ARG 466 CO -0.07 0.61 0.37 0.00 -1.07 0.00 0.00 179.97 179.81 1ua1 h ARG 467 N 0.63 0.81 -0.00 0.04 3.08 -0.71 0.08 114.38 118.30 1ua1 h ARG 467 Ca 0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ua1 h ARG 467 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ua1 h ARG 467 CO -0.02 0.56 -0.02 0.09 -1.07 0.00 0.00 179.97 179.51 1ua1 n ASN 468 N -4.42 0.20 -3.57 7.04 4.13 -0.20 -4.91 115.26 113.53 1ua1 n ASN 468 Ca 0.06 -0.69 -0.22 0.00 1.68 0.00 0.00 54.58 55.40 1ua1 n ASN 468 Cb 0.07 -0.10 0.08 0.00 -1.54 0.00 0.00 39.78 38.28 1ua1 n ASN 468 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ua1 n GLU 469 N -0.99 -7.52 0.00 3.52 1.02 0.01 -4.91 120.64 111.77 1ua1 n GLU 469 Ca 0.19 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1ua1 n GLU 469 Cb 0.20 -5.86 0.00 0.00 -0.02 0.00 0.00 31.44 25.76 1ua1 n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ua1 n GLN 470 N -4.77 1.13 -0.13 3.49 6.02 0.15 -4.77 117.38 118.49 1ua1 n GLN 470 Ca -0.07 -0.99 -0.03 0.00 -0.01 0.00 0.00 57.00 55.91 1ua1 n GLN 470 Cb 0.59 -0.95 0.20 0.00 1.02 0.00 0.00 30.24 31.09 1ua1 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1ua1 h ASP 471 N 0.00 0.77 0.20 1.08 2.03 -1.85 -2.25 116.42 116.40 1ua1 h ASP 471 Ca 0.00 -0.13 -0.15 0.00 -0.73 0.00 0.00 57.03 56.02 1ua1 h ASP 471 Cb 0.33 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1ua1 h ASP 471 CO 0.00 0.75 -0.56 0.03 -1.03 0.00 0.00 179.24 178.43 1ua1 h ARG 472 N 0.80 0.37 -0.86 4.15 3.08 -1.92 -1.05 114.38 118.95 1ua1 h ARG 472 Ca 0.18 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ua1 h ARG 472 Cb 0.28 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1ua1 h ARG 472 CO -0.00 0.83 0.56 1.25 -1.07 0.00 0.00 179.97 181.54 1ua1 h LEU 473 N 0.29 1.00 0.31 3.04 5.85 -1.72 0.53 115.31 124.61 1ua1 h LEU 473 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1ua1 h LEU 473 Cb 1.06 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1ua1 h LEU 473 CO 0.09 0.73 -0.15 0.25 -0.34 0.00 0.00 178.44 179.03 1ua1 h LEU 474 N 1.18 -0.36 -0.72 2.25 5.85 -1.19 -0.96 115.31 121.36 1ua1 h LEU 474 Ca 0.32 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 1ua1 h LEU 474 Cb -0.12 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ua1 h LEU 474 CO -0.07 0.10 -0.03 0.58 -0.34 0.00 0.00 178.44 178.68 1ua1 h VAL 475 N -1.10 1.26 0.00 1.05 2.07 -1.14 -0.61 116.25 117.77 1ua1 h VAL 475 Ca -0.04 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1ua1 h VAL 475 Cb 0.34 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ua1 h VAL 475 CO 0.07 0.41 -1.54 -0.62 0.02 0.00 0.00 177.57 175.90 1ua1 n GLU 476 N -4.18 0.41 0.00 1.57 1.02 0.19 -4.41 120.64 115.24 1ua1 n GLU 476 Ca 0.02 -0.10 -0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1ua1 n GLU 476 Cb 0.35 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1ua1 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ua1 n LEU 477 N -2.01 0.01 -0.11 -4.62 7.94 -1.05 -4.69 117.00 112.46 1ua1 n LEU 477 Ca -0.01 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1ua1 n LEU 477 Cb 0.48 -0.09 -0.01 0.00 0.53 0.00 0.00 43.42 44.34 1ua1 n LEU 477 CO 0.44 -0.50 1.00 -0.33 -1.11 0.00 0.00 177.39 176.89 1ua1 h GLU 478 N -0.00 0.49 -0.39 1.96 4.39 -1.14 -0.88 114.58 119.01 1ua1 h GLU 478 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1ua1 h GLU 478 Cb 0.00 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1ua1 h GLU 478 CO 0.00 0.37 0.06 1.96 -1.16 0.00 0.00 179.01 180.23 1ua1 h GLN 479 N 0.48 0.66 -0.28 2.33 4.20 -1.36 0.21 115.11 121.35 1ua1 h GLN 479 Ca 0.13 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1ua1 h GLN 479 Cb -0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1ua1 h GLN 479 CO -0.02 0.72 -0.17 -1.35 -0.67 0.00 0.00 178.83 177.33 1ua1 h PRO 480 N 0.50 0.50 -0.63 1.46 0.11 -1.75 -2.40 132.00 129.79 1ua1 h PRO 480 Ca 0.12 -0.16 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1ua1 h PRO 480 Cb 0.38 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1ua1 h PRO 480 CO 0.01 0.65 0.19 1.25 -0.21 0.00 0.00 178.00 179.89 1ua1 h LEU 481 N 0.45 0.89 -0.88 2.35 5.85 -0.81 -2.61 115.31 120.56 1ua1 h LEU 481 Ca 0.08 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.78 1ua1 h LEU 481 Cb 0.56 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 1ua1 h LEU 481 CO 0.04 0.84 0.49 -1.28 -0.34 0.00 0.00 178.44 178.18 1ua1 h SER 482 N 0.93 0.63 0.04 1.25 0.87 -0.43 0.11 113.55 116.95 1ua1 h SER 482 Ca 0.21 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.74 1ua1 h SER 482 Cb 0.27 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ua1 h SER 482 CO -0.01 0.29 -0.33 0.28 -0.53 0.00 0.00 176.83 176.53 1ua1 h SER 483 N 0.71 0.43 -0.25 6.23 0.02 -1.42 -1.65 113.55 117.62 1ua1 h SER 483 Ca 0.47 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1ua1 h SER 483 Cb 0.61 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ua1 h SER 483 CO -0.33 0.74 -0.33 0.40 -1.14 0.00 0.00 176.83 176.16 1ua1 h ILE 484 N 0.36 1.31 -0.45 3.27 2.04 -0.86 -2.50 117.51 120.68 1ua1 h ILE 484 Ca 0.04 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 1ua1 h ILE 484 Cb 0.75 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1ua1 h ILE 484 CO 0.06 0.48 0.12 -0.07 0.00 0.00 0.00 178.15 178.74 1ua1 h LEU 485 N 0.37 0.61 -0.63 1.44 3.38 -0.73 -1.46 115.31 118.30 1ua1 h LEU 485 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ua1 h LEU 485 Cb 0.91 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1ua1 h LEU 485 CO 0.08 0.60 0.33 0.00 0.09 0.00 0.00 178.44 179.54 1ua1 h ALA 486 N 1.48 0.80 -0.64 1.53 0.00 -1.16 -0.93 119.26 120.35 1ua1 h ALA 486 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ua1 h ALA 486 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ua1 h ALA 486 CO -0.01 0.34 0.08 0.93 0.00 0.00 0.00 179.25 180.59 1ua1 h GLU 487 N 0.85 1.08 -0.20 0.00 5.08 -0.94 -1.78 114.58 118.69 1ua1 h GLU 487 Ca 0.22 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ua1 h GLU 487 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ua1 h GLU 487 CO -0.03 1.01 0.09 0.52 -1.00 0.00 0.00 179.01 179.60 1ua1 h MET 488 N 1.00 0.29 -0.47 2.33 2.86 -0.87 -0.84 114.93 119.23 1ua1 h MET 488 Ca 0.19 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1ua1 h MET 488 Cb 0.48 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1ua1 h MET 488 CO 0.02 0.33 0.07 0.93 1.06 0.00 0.00 176.91 179.32 1ua1 h GLU 489 N 0.18 0.79 -0.77 1.72 5.08 -1.14 -1.66 114.58 118.78 1ua1 h GLU 489 Ca 0.07 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1ua1 h GLU 489 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1ua1 h GLU 489 CO -0.01 0.80 0.26 0.35 -1.00 0.00 0.00 179.01 179.41 1ua1 h PHE 490 N 0.66 1.21 -0.29 4.33 3.57 -1.24 -2.94 116.94 122.24 1ua1 h PHE 490 Ca 0.14 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ua1 h PHE 490 Cb 0.40 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ua1 h PHE 490 CO 0.03 0.94 0.06 0.00 -2.23 0.00 0.00 178.31 177.11 1ua1 h ALA 491 N 1.14 0.38 -1.49 2.41 0.00 -0.99 -3.49 119.26 117.22 1ua1 h ALA 491 Ca 0.25 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.16 1ua1 h ALA 491 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1ua1 h ALA 491 CO -0.01 0.06 -0.28 0.41 0.00 0.00 0.00 179.25 179.42 1ua1 n GLY 492 N -0.51 -1.72 3.18 0.00 0.00 -0.64 -4.90 105.19 100.60 1ua1 n GLY 492 Ca -0.03 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1ua1 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua1 s VAL 493 N -1.80 1.82 0.23 1.61 1.01 -0.64 -4.93 120.40 117.70 1ua1 s VAL 493 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1ua1 s VAL 493 Cb 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1ua1 s VAL 493 CO 0.00 0.51 1.21 -0.75 0.00 0.00 0.00 175.10 176.06 1ua1 s LYS 494 N 0.33 4.49 -0.04 2.72 2.47 -1.24 -0.98 119.74 127.48 1ua1 s LYS 494 Ca -0.15 1.94 0.07 0.00 -1.56 0.00 0.00 55.97 56.26 1ua1 s LYS 494 Cb -0.17 -3.19 -0.01 0.00 -1.46 0.00 0.00 37.83 33.00 1ua1 s LYS 494 CO 0.07 -0.05 -0.25 0.08 0.16 0.00 0.00 175.35 175.36 1ua1 s VAL 495 N -0.49 2.03 -1.04 4.02 1.01 0.13 -1.59 120.40 124.47 1ua1 s VAL 495 Ca 0.51 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1ua1 s VAL 495 Cb -0.34 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.46 1ua1 s VAL 495 CO 0.41 0.57 1.28 -0.62 0.00 0.00 0.00 175.10 176.73 1ua1 s ASP 496 N -0.31 6.77 0.28 3.32 -1.08 0.11 -4.82 116.67 120.93 1ua1 s ASP 496 Ca 0.01 -2.31 -0.04 0.00 -0.52 0.00 0.00 52.55 49.69 1ua1 s ASP 496 Cb -0.12 -2.42 0.37 0.00 -1.46 0.00 0.00 42.92 39.28 1ua1 s ASP 496 CO 0.02 -1.01 1.94 0.71 0.52 0.00 0.00 175.17 177.35 1ua1 h THR 497 N 5.54 1.23 -0.48 1.71 1.35 -1.91 -2.04 112.91 118.31 1ua1 h THR 497 Ca 0.22 -0.46 0.06 0.00 -0.55 0.00 0.00 66.41 65.69 1ua1 h THR 497 Cb 0.97 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 1ua1 h THR 497 CO 1.19 0.23 0.20 0.11 -0.25 0.00 0.00 175.52 177.00 1ua1 h LYS 498 N 1.19 0.39 -0.47 4.72 1.79 -1.99 0.35 116.57 122.55 1ua1 h LYS 498 Ca 0.32 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1ua1 h LYS 498 Cb -0.10 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 1ua1 h LYS 498 CO -0.06 0.26 0.30 -0.09 -1.08 0.00 0.00 179.45 178.77 1ua1 h ARG 499 N 0.40 0.62 -0.46 3.15 2.43 -1.82 -0.88 114.38 117.81 1ua1 h ARG 499 Ca 0.22 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1ua1 h ARG 499 Cb 0.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1ua1 h ARG 499 CO -0.20 0.43 0.24 -0.07 -1.51 0.00 0.00 179.97 178.86 1ua1 h LEU 500 N 0.63 0.59 -1.37 3.80 3.38 -0.66 -1.49 115.31 120.18 1ua1 h LEU 500 Ca 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ua1 h LEU 500 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1ua1 h LEU 500 CO -0.03 0.53 0.01 -0.33 0.09 0.00 0.00 178.44 178.71 1ua1 h GLU 501 N 0.61 0.42 -0.10 1.13 5.08 0.01 0.53 114.58 122.26 1ua1 h GLU 501 Ca 0.16 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 1ua1 h GLU 501 Cb 0.09 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ua1 h GLU 501 CO -0.02 0.44 -0.81 0.37 -1.00 0.00 0.00 179.01 177.99 1ua1 h GLN 502 N 0.41 0.64 -0.60 2.33 5.75 -0.88 -2.01 115.11 120.74 1ua1 h GLN 502 Ca 0.09 -0.55 -0.05 0.00 -0.15 0.00 0.00 58.65 57.99 1ua1 h GLN 502 Cb 0.26 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1ua1 h GLN 502 CO 0.01 1.17 0.19 0.52 -2.65 0.00 0.00 178.83 178.06 1ua1 h MET 503 N 0.42 0.94 -0.93 1.69 2.86 -0.83 -2.10 114.93 116.97 1ua1 h MET 503 Ca -0.06 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1ua1 h MET 503 Cb 1.43 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 1ua1 h MET 503 CO 0.16 0.84 0.62 0.78 1.06 0.00 0.00 176.91 180.36 1ua1 h GLY 504 N 0.86 1.33 0.86 8.32 0.00 -0.79 -0.60 103.07 113.05 1ua1 h GLY 504 Ca 0.19 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ua1 h GLY 504 CO -0.01 0.45 0.01 1.70 0.00 0.00 0.00 176.54 178.70 1ua1 h LYS 505 N 1.23 0.04 -0.81 4.80 1.63 -0.90 -1.49 116.57 121.07 1ua1 h LYS 505 Ca 0.35 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1ua1 h LYS 505 Cb -0.09 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1ua1 h LYS 505 CO -0.09 0.17 0.48 0.93 -3.45 0.00 0.00 179.45 177.49 1ua1 h GLU 506 N -0.10 1.10 -0.37 1.90 5.08 -1.02 -2.47 114.58 118.70 1ua1 h GLU 506 Ca 0.01 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1ua1 h GLU 506 Cb 0.15 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1ua1 h GLU 506 CO -0.00 0.78 0.12 -0.07 -1.00 0.00 0.00 179.01 178.84 1ua1 h LEU 507 N 1.12 0.53 -1.05 1.33 3.38 -0.92 -2.06 115.31 117.64 1ua1 h LEU 507 Ca 0.29 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1ua1 h LEU 507 Cb -0.03 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 1ua1 h LEU 507 CO -0.05 0.59 0.63 0.00 0.09 0.00 0.00 178.44 179.69 1ua1 h ALA 508 N 0.96 1.53 -0.03 1.53 0.00 -0.87 0.44 119.26 122.82 1ua1 h ALA 508 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ua1 h ALA 508 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ua1 h ALA 508 CO -0.00 0.26 0.00 1.49 0.00 0.00 0.00 179.25 180.99 1ua1 h GLU 509 N 1.01 0.05 -0.43 0.00 4.81 -1.12 -0.54 114.58 118.36 1ua1 h GLU 509 Ca 0.47 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1ua1 h GLU 509 Cb 0.42 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1ua1 h GLU 509 CO -0.23 0.33 -0.07 1.96 -0.73 0.00 0.00 179.01 180.27 1ua1 h GLN 510 N -0.23 0.75 -0.64 1.92 4.20 -0.78 -1.62 115.11 118.71 1ua1 h GLN 510 Ca 0.01 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1ua1 h GLN 510 Cb 0.31 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1ua1 h GLN 510 CO 0.00 0.81 0.19 1.25 -0.67 0.00 0.00 178.83 180.41 1ua1 h LEU 511 N 0.69 0.93 -0.56 1.46 5.85 -0.05 0.09 115.31 123.71 1ua1 h LEU 511 Ca 0.12 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1ua1 h LEU 511 Cb 0.53 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1ua1 h LEU 511 CO 0.03 0.89 -0.01 1.23 -0.34 0.00 0.00 178.44 180.25 1ua1 h GLY 512 N 0.92 1.07 0.91 3.75 0.00 -0.79 -0.43 103.07 108.51 1ua1 h GLY 512 Ca 0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1ua1 h GLY 512 CO -0.01 0.73 -0.26 -0.84 0.00 0.00 0.00 176.54 176.17 1ua1 h THR 513 N 0.88 0.44 -0.83 4.70 2.02 -0.98 -2.00 112.91 117.14 1ua1 h THR 513 Ca 0.16 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1ua1 h THR 513 Cb 0.55 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1ua1 h THR 513 CO 0.03 0.02 0.53 0.58 0.37 0.00 0.00 175.52 177.06 1ua1 h VAL 514 N -0.82 1.12 -0.20 3.16 2.07 -0.98 -2.02 116.25 118.57 1ua1 h VAL 514 Ca -0.07 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1ua1 h VAL 514 Cb 0.60 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1ua1 h VAL 514 CO 0.12 0.19 -0.05 -0.08 0.02 0.00 0.00 177.57 177.77 1ua1 h GLU 515 N 1.03 -0.00 -0.77 1.57 4.81 -0.96 0.00 114.58 120.26 1ua1 h GLU 515 Ca 0.34 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1ua1 h GLU 515 Cb 0.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1ua1 h GLU 515 CO -0.12 -0.00 0.47 1.96 -0.73 0.00 0.00 179.01 180.58 1ua1 h GLN 516 N -0.00 1.04 -0.97 1.92 1.08 -1.00 -2.09 115.11 115.09 1ua1 h GLN 516 Ca 0.10 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1ua1 h GLN 516 Cb 0.15 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 1ua1 h GLN 516 CO -0.21 0.73 0.63 -0.09 -0.95 0.00 0.00 178.83 178.95 1ua1 h ARG 517 N 1.05 1.23 -0.61 1.46 9.65 -0.76 -0.80 114.38 125.60 1ua1 h ARG 517 Ca 0.28 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1ua1 h ARG 517 Cb -0.04 -0.28 -0.03 0.00 -1.39 0.00 0.00 29.97 28.23 1ua1 h ARG 517 CO -0.05 0.81 0.34 0.82 2.80 0.00 0.00 179.97 184.69 1ua1 h ILE 518 N 1.26 1.19 -0.47 1.20 2.04 -0.36 -0.44 117.51 121.94 1ua1 h ILE 518 Ca 0.37 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1ua1 h ILE 518 Cb -0.08 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1ua1 h ILE 518 CO -0.10 0.21 -0.14 1.88 0.00 0.00 0.00 178.15 180.00 1ua1 h TYR 519 N 0.83 1.00 -0.03 1.37 0.05 -0.92 -1.12 116.97 118.15 1ua1 h TYR 519 Ca 0.21 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1ua1 h TYR 519 Cb 0.04 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1ua1 h TYR 519 CO -0.01 0.97 -0.07 1.49 -1.05 0.00 0.00 178.16 179.49 1ua1 h GLU 520 N 0.79 -0.10 0.00 4.88 4.57 -0.69 0.31 114.58 124.35 1ua1 h GLU 520 Ca 0.12 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1ua1 h GLU 520 Cb 0.67 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1ua1 h GLU 520 CO 0.05 -0.07 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.56 1ua1 h LEU 521 N -0.10 0.00 0.00 1.64 3.38 -0.93 -2.82 115.31 116.49 1ua1 h LEU 521 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ua1 h LEU 521 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ua1 h LEU 521 CO -0.09 0.18 -1.03 0.00 0.09 0.00 0.00 178.44 177.59 1ua1 n ALA 522 N -2.27 2.83 -0.95 1.53 0.00 -0.44 -4.93 120.51 116.29 1ua1 n ALA 522 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ua1 n ALA 522 Cb 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ua1 n ALA 522 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ua1 n GLY 523 N 1.26 0.51 3.65 0.00 0.00 0.10 -4.98 105.19 105.74 1ua1 n GLY 523 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ua1 n GLY 523 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ua1 s GLN 524 N -0.28 0.61 0.06 1.61 -2.07 -0.85 -5.02 119.66 113.71 1ua1 s GLN 524 Ca 0.00 -0.33 0.01 0.00 -1.82 0.00 0.00 55.36 53.22 1ua1 s GLN 524 Cb 0.00 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1ua1 s GLN 524 CO 0.00 -0.28 0.16 -1.21 -1.32 0.00 0.00 175.29 172.65 1ua1 s GLU 525 N -2.66 3.27 0.20 9.60 2.02 -1.26 -4.36 118.70 125.51 1ua1 s GLU 525 Ca 0.13 -0.50 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 1ua1 s GLU 525 Cb 0.03 -2.95 0.05 0.00 0.10 0.00 0.00 34.13 31.36 1ua1 s GLU 525 CO -0.02 0.61 0.89 -0.59 0.02 0.00 0.00 175.26 176.16 1ua1 s PHE 526 N -1.44 -0.12 -0.86 1.61 -0.71 -1.26 -5.09 117.98 110.10 1ua1 s PHE 526 Ca 0.32 -0.26 -0.23 0.00 -1.04 0.00 0.00 56.93 55.72 1ua1 s PHE 526 Cb -0.13 0.67 0.06 0.00 -1.21 0.00 0.00 43.02 42.42 1ua1 s PHE 526 CO 0.25 -0.99 1.26 1.21 -1.34 0.00 0.00 175.22 175.61 1ua1 s ASN 527 N -2.97 6.37 0.63 1.98 3.04 -1.26 -4.84 114.94 117.88 1ua1 s ASN 527 Ca 0.13 -1.21 0.29 0.00 0.04 0.00 0.00 52.86 52.11 1ua1 s ASN 527 Cb -0.03 -2.51 1.57 0.00 -1.54 0.00 0.00 41.25 38.74 1ua1 s ASN 527 CO 0.04 -1.50 1.92 0.40 -3.04 0.00 0.00 177.10 174.92 1ua1 h ILE 528 N 6.26 0.19 -0.01 -5.21 2.04 -1.98 -0.53 117.51 118.27 1ua1 h ILE 528 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ua1 h ILE 528 Cb 1.03 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1ua1 h ILE 528 CO 1.28 0.00 -0.00 0.59 0.00 0.00 0.00 178.15 180.02 1ua1 n ASN 529 N -3.30 0.74 -4.28 1.72 3.02 -1.26 -4.71 115.26 107.19 1ua1 n ASN 529 Ca 0.02 -1.23 -0.40 0.00 -0.03 0.00 0.00 54.58 52.95 1ua1 n ASN 529 Cb 0.49 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.56 1ua1 n ASN 529 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ua1 s SER 530 N -2.02 5.61 0.58 6.41 1.04 -0.21 -4.94 113.70 120.17 1ua1 s SER 530 Ca 0.42 -1.43 0.31 0.00 0.48 0.00 0.00 55.95 55.74 1ua1 s SER 530 Cb 0.21 -1.98 1.37 0.00 0.10 0.00 0.00 66.02 65.73 1ua1 s SER 530 CO 0.36 -0.50 1.70 -0.65 0.98 0.00 0.00 173.24 175.13 1ua1 h PRO 531 N 8.38 0.00 0.52 4.02 0.11 -1.86 0.35 132.00 143.53 1ua1 h PRO 531 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 1ua1 h PRO 531 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1ua1 h PRO 531 CO 0.73 0.00 -0.25 -0.22 -0.21 0.00 0.00 178.00 178.05 1ua1 h LYS 532 N 0.00 -0.68 -0.74 1.05 1.63 -1.92 -1.40 116.57 114.50 1ua1 h LYS 532 Ca 0.41 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.22 1ua1 h LYS 532 Cb 2.06 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 33.81 1ua1 h LYS 532 CO -0.00 -0.45 0.29 1.96 -3.45 0.00 0.00 179.45 177.80 1ua1 h GLN 533 N -0.98 1.11 -0.63 1.90 4.20 -1.55 -2.67 115.11 116.50 1ua1 h GLN 533 Ca -0.07 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.47 1ua1 h GLN 533 Cb 0.54 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1ua1 h GLN 533 CO 0.12 0.91 0.38 1.25 -0.67 0.00 0.00 178.83 180.82 1ua1 h LEU 534 N 1.07 0.61 -1.14 1.46 6.46 -1.06 -2.17 115.31 120.54 1ua1 h LEU 534 Ca 0.25 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1ua1 h LEU 534 Cb 0.22 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 1ua1 h LEU 534 CO -0.02 0.42 0.50 1.23 -0.62 0.00 0.00 178.44 179.96 1ua1 h GLY 535 N 0.74 1.16 0.98 3.75 0.00 -0.92 -1.12 103.07 107.66 1ua1 h GLY 535 Ca 0.26 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1ua1 h GLY 535 CO -0.11 0.45 0.21 -2.08 0.00 0.00 0.00 176.54 175.01 1ua1 h VAL 536 N 1.11 1.22 0.19 4.60 2.07 -1.11 0.17 116.25 124.50 1ua1 h VAL 536 Ca 0.29 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ua1 h VAL 536 Cb -0.07 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1ua1 h VAL 536 CO -0.06 0.26 -0.09 0.40 0.02 0.00 0.00 177.57 178.10 1ua1 h ILE 537 N 0.71 0.90 0.21 4.57 1.08 -1.03 0.89 117.51 124.84 1ua1 h ILE 537 Ca 0.18 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1ua1 h ILE 537 Cb 0.20 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1ua1 h ILE 537 CO -0.01 0.10 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.38 1ua1 h LEU 538 N -0.47 -0.23 0.00 1.44 3.38 -1.17 0.18 115.31 118.43 1ua1 h LEU 538 Ca -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ua1 h LEU 538 Cb 0.36 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ua1 h LEU 538 CO 0.04 0.17 -0.82 0.49 0.09 0.00 0.00 178.44 178.41 1ua1 n PHE 539 N -5.04 0.46 -0.02 1.13 3.72 0.04 -0.60 117.46 117.15 1ua1 n PHE 539 Ca -0.09 0.13 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1ua1 n PHE 539 Cb 0.25 -0.58 -0.01 0.00 -0.94 0.00 0.00 39.48 38.19 1ua1 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ua1 n GLU 540 N -2.08 0.23 -0.10 -1.08 1.02 -0.59 -4.16 120.64 113.87 1ua1 n GLU 540 Ca 0.02 0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1ua1 n GLU 540 Cb 0.45 -0.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.97 1ua1 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ua1 h LYS 541 N -0.43 0.55 -0.01 3.49 3.64 -0.77 -3.20 116.57 119.85 1ua1 h LYS 541 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ua1 h LYS 541 Cb 0.43 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ua1 h LYS 541 CO 0.00 0.72 -0.34 1.28 -2.27 0.00 0.00 179.45 178.84 1ua1 n LEU 542 N -4.53 1.26 -1.87 5.20 4.77 0.62 -4.97 117.00 117.48 1ua1 n LEU 542 Ca -0.03 -0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 55.37 1ua1 n LEU 542 Cb 0.29 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1ua1 n LEU 542 CO 0.39 0.24 -0.22 0.00 -1.33 0.00 0.00 177.39 176.47 1ua1 n GLN 543 N -0.54 -1.48 -1.96 3.23 1.13 -1.12 -4.95 117.38 111.69 1ua1 n GLN 543 Ca 0.11 1.09 -0.37 0.00 -1.94 0.00 0.00 57.00 55.89 1ua1 n GLN 543 Cb 0.38 -5.56 0.03 0.00 0.11 0.00 0.00 30.24 25.20 1ua1 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ua1 s LEU 544 N -5.08 3.83 0.45 1.08 1.43 0.23 -4.95 118.68 115.66 1ua1 s LEU 544 Ca 0.00 2.54 -0.24 0.00 -1.03 0.00 0.00 54.13 55.41 1ua1 s LEU 544 Cb 0.00 -4.37 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 1ua1 s LEU 544 CO 0.00 -1.44 1.20 -2.16 0.23 0.00 0.00 176.35 174.18 1ua1 s PRO 545 N -2.99 3.77 -0.59 1.29 0.04 -1.26 -4.50 135.00 130.75 1ua1 s PRO 545 Ca 0.72 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 63.44 1ua1 s PRO 545 Cb -0.35 -2.48 0.09 0.00 0.04 0.00 0.00 34.50 31.81 1ua1 s PRO 545 CO 0.40 -0.57 0.73 0.08 0.04 0.00 0.00 177.00 177.68 1ua1 s VAL 546 N -1.46 4.75 -0.21 -0.36 1.01 -1.26 -4.85 120.40 118.02 1ua1 s VAL 546 Ca 0.62 -0.85 0.22 0.00 0.00 0.00 0.00 61.98 61.98 1ua1 s VAL 546 Cb -0.31 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 1ua1 s VAL 546 CO 0.38 -1.14 0.96 0.18 0.00 0.00 0.00 175.10 175.49 1ua1 n LEU 547 N 6.51 0.75 -3.78 3.92 4.77 -1.26 -4.91 117.00 123.00 1ua1 n LEU 547 Ca -0.08 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1ua1 n LEU 547 Cb 0.43 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1ua1 n LEU 547 CO 0.59 -0.15 -0.17 -0.75 -1.33 0.00 0.00 177.39 175.58 1ua1 s LYS 548 N -3.36 0.19 0.23 3.23 2.20 -1.26 -5.14 119.74 115.82 1ua1 s LYS 548 Ca -0.02 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.99 1ua1 s LYS 548 Cb 0.10 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1ua1 s LYS 548 CO 0.81 -0.08 0.10 0.15 -0.36 0.00 0.00 175.35 175.97 1ua1 s LYS 549 N 0.50 2.67 0.13 4.03 1.02 -1.26 -2.51 119.74 124.31 1ua1 s LYS 549 Ca -0.03 -1.13 0.06 0.00 0.02 0.00 0.00 55.97 54.89 1ua1 s LYS 549 Cb -0.05 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1ua1 s LYS 549 CO -0.02 0.42 -0.13 -0.08 -0.92 0.00 0.00 175.35 174.61 1ua1 s THR 550 N -2.04 1.31 -0.93 2.17 -1.32 -0.89 -4.69 115.64 109.26 1ua1 s THR 550 Ca 0.31 -1.76 -0.06 0.00 -1.21 0.00 0.00 61.69 58.97 1ua1 s THR 550 Cb -0.08 -1.57 -0.05 0.00 -1.51 0.00 0.00 72.50 69.29 1ua1 s THR 550 CO 0.22 -0.46 2.12 2.29 -2.21 0.00 0.00 174.62 176.58 1ua1 n LYS 551 N 0.43 2.10 0.00 7.08 2.85 -1.26 -2.85 118.16 126.51 1ua1 n LYS 551 Ca -0.15 -1.47 0.00 0.00 -1.05 0.00 0.00 58.31 55.64 1ua1 n LYS 551 Cb 0.57 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 1ua1 n LYS 551 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1ua1 n THR 552 N 4.21 0.00 0.00 0.58 -1.04 -1.26 -5.13 114.28 111.63 1ua1 n THR 552 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1ua1 n THR 552 Cb 0.13 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1ua1 n THR 552 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ua1 n GLY 553 N -1.43 2.31 3.86 3.41 0.00 -1.13 -5.16 105.19 107.04 1ua1 n GLY 553 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1ua1 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ua1 s TYR 554 N 2.08 3.40 0.00 1.61 2.02 -1.26 -2.09 117.35 123.10 1ua1 s TYR 554 Ca 0.00 0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.72 1ua1 s TYR 554 Cb 0.00 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1ua1 s TYR 554 CO 0.00 0.57 0.56 0.45 -1.57 0.00 0.00 175.55 175.56 1ua1 s SER 555 N -2.30 6.95 -0.08 2.29 0.15 -1.05 -4.67 113.70 115.00 1ua1 s SER 555 Ca 0.31 1.13 0.14 0.00 0.70 0.00 0.00 55.95 58.23 1ua1 s SER 555 Cb -0.13 -2.34 0.29 0.00 -1.71 0.00 0.00 66.02 62.13 1ua1 s SER 555 CO 0.23 0.15 1.13 0.35 1.20 0.00 0.00 173.24 176.30 1ua1 n THR 556 N 2.53 0.93 -1.37 6.45 -2.24 -1.26 -4.86 114.28 114.46 1ua1 n THR 556 Ca -0.08 -1.56 -0.34 0.00 -2.27 0.00 0.00 64.05 59.80 1ua1 n THR 556 Cb 0.51 0.31 0.10 0.00 -2.10 0.00 0.00 70.33 69.15 1ua1 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ua1 s SER 557 N -2.23 4.13 0.23 3.42 1.04 -1.26 -4.67 113.70 114.35 1ua1 s SER 557 Ca 0.26 2.31 -0.09 0.00 0.48 0.00 0.00 55.95 58.90 1ua1 s SER 557 Cb 0.26 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 64.17 1ua1 s SER 557 CO -0.06 -2.31 1.64 0.00 0.98 0.00 0.00 173.24 173.49 1ua1 h ALA 558 N -0.46 0.68 -0.56 5.32 0.00 -1.99 0.63 119.26 122.89 1ua1 h ALA 558 Ca -0.47 0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ua1 h ALA 558 Cb 1.29 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1ua1 h ALA 558 CO 0.49 -0.41 0.37 0.38 0.00 0.00 0.00 179.25 180.08 1ua1 h ASP 559 N 0.09 0.44 -0.06 0.00 2.03 -2.00 0.08 116.42 117.00 1ua1 h ASP 559 Ca 0.37 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.59 1ua1 h ASP 559 Cb 0.63 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1ua1 h ASP 559 CO -0.63 0.29 -0.28 0.58 -1.03 0.00 0.00 179.24 178.17 1ua1 h VAL 560 N 0.50 1.43 -0.88 4.15 2.07 -1.26 -3.26 116.25 119.00 1ua1 h VAL 560 Ca 0.24 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1ua1 h VAL 560 Cb 0.32 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1ua1 h VAL 560 CO -0.07 0.48 0.57 -0.07 0.02 0.00 0.00 177.57 178.50 1ua1 h LEU 561 N -0.20 1.03 -1.60 2.57 3.38 -0.54 -2.09 115.31 117.85 1ua1 h LEU 561 Ca -0.02 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1ua1 h LEU 561 Cb 0.93 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1ua1 h LEU 561 CO 0.06 0.77 0.43 -0.33 0.09 0.00 0.00 178.44 179.45 1ua1 h GLU 562 N 1.20 0.43 0.00 1.13 5.08 -1.08 0.67 114.58 122.01 1ua1 h GLU 562 Ca 0.32 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1ua1 h GLU 562 Cb -0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1ua1 h GLU 562 CO -0.07 0.29 -0.18 0.87 -1.00 0.00 0.00 179.01 178.92 1ua1 h LYS 563 N 0.45 0.00 0.00 2.33 1.57 -1.43 -3.21 116.57 116.28 1ua1 h LYS 563 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ua1 h LYS 563 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ua1 h LYS 563 CO -0.09 0.18 -0.84 1.28 -0.57 0.00 0.00 179.45 179.42 1ua1 n LEU 564 N -3.19 0.64 -0.32 2.94 4.77 0.10 -4.46 117.00 117.49 1ua1 n LEU 564 Ca 0.02 0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.25 1ua1 n LEU 564 Cb 0.54 -0.14 0.35 0.00 -2.33 0.00 0.00 43.42 41.84 1ua1 n LEU 564 CO 0.35 0.01 1.06 0.00 -1.33 0.00 0.00 177.39 177.47 1ua1 h ALA 565 N 2.55 1.56 0.00 -1.18 0.00 -1.22 -1.00 119.26 119.97 1ua1 h ALA 565 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ua1 h ALA 565 Cb 0.73 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ua1 h ALA 565 CO 0.00 -0.40 -0.02 -1.35 0.00 0.00 0.00 179.25 177.48 1ua1 h PRO 566 N 0.38 0.00 -0.02 0.00 0.11 -1.82 -3.00 132.00 127.64 1ua1 h PRO 566 Ca 0.61 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.54 1ua1 h PRO 566 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ua1 h PRO 566 CO -0.56 0.02 -0.79 1.88 -0.21 0.00 0.00 178.00 178.34 1ua1 h TYR 567 N 0.00 0.28 -2.28 0.65 0.05 -1.50 -3.46 116.97 110.71 1ua1 h TYR 567 Ca -0.00 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 1ua1 h TYR 567 Cb 0.03 -0.04 -0.22 0.00 1.01 0.00 0.00 36.73 37.51 1ua1 h TYR 567 CO 0.00 0.91 -0.02 -1.58 -1.05 0.00 0.00 178.16 176.42 1ua1 s HIS 568 N -3.37 -0.68 0.49 4.88 2.46 -1.14 -5.03 115.29 112.91 1ua1 s HIS 568 Ca -0.03 1.63 0.41 0.00 0.47 0.00 0.00 55.06 57.54 1ua1 s HIS 568 Cb 0.11 0.25 2.13 0.00 -0.13 0.00 0.00 32.58 34.93 1ua1 s HIS 568 CO 0.82 -0.33 2.26 1.49 -2.47 0.00 0.00 174.74 176.50 1ua1 h GLU 569 N 5.33 0.00 -0.22 2.88 4.81 -1.91 -2.69 114.58 122.78 1ua1 h GLU 569 Ca -0.29 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1ua1 h GLU 569 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ua1 h GLU 569 CO 0.13 0.00 -0.12 0.97 -0.73 0.00 0.00 179.01 179.26 1ua1 h ILE 570 N 0.00 1.20 0.29 2.32 2.10 -1.92 -3.24 117.51 118.27 1ua1 h ILE 570 Ca 0.00 -0.89 0.00 0.00 1.08 0.00 0.00 64.86 65.05 1ua1 h ILE 570 Cb 0.14 1.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 1ua1 h ILE 570 CO 0.00 0.28 -0.28 0.58 -1.08 0.00 0.00 178.15 177.65 1ua1 h VAL 571 N 0.33 0.40 -0.83 2.19 2.07 -1.81 -1.00 116.25 117.61 1ua1 h VAL 571 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1ua1 h VAL 571 Cb 0.43 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1ua1 h VAL 571 CO 0.02 0.00 0.54 1.05 0.02 0.00 0.00 177.57 179.20 1ua1 h GLU 572 N -0.60 0.77 -0.34 1.57 4.11 -1.76 -0.06 114.58 118.27 1ua1 h GLU 572 Ca -0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 1ua1 h GLU 572 Cb 0.55 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ua1 h GLU 572 CO -0.06 0.51 -0.21 -0.91 0.07 0.00 0.00 179.01 178.41 1ua1 h ASN 573 N 0.79 0.66 -0.47 3.06 2.35 -1.51 -0.30 115.58 120.15 1ua1 h ASN 573 Ca 0.38 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1ua1 h ASN 573 Cb 0.42 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1ua1 h ASN 573 CO -0.15 0.87 -0.21 0.40 -1.65 0.00 0.00 177.43 176.68 1ua1 h ILE 574 N 0.58 1.27 -0.18 2.81 2.04 0.25 0.12 117.51 124.40 1ua1 h ILE 574 Ca 0.09 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1ua1 h ILE 574 Cb 0.68 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ua1 h ILE 574 CO 0.05 0.47 0.09 -0.07 0.00 0.00 0.00 178.15 178.69 1ua1 h LEU 575 N 0.83 0.23 -0.71 1.44 3.38 -0.83 -1.31 115.31 118.35 1ua1 h LEU 575 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ua1 h LEU 575 Cb 0.79 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1ua1 h LEU 575 CO 0.07 0.28 0.34 -0.74 0.09 0.00 0.00 178.44 178.48 1ua1 h HIS 576 N 0.17 1.02 -0.60 1.13 2.76 -0.93 -1.70 115.15 117.00 1ua1 h HIS 576 Ca 0.06 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1ua1 h HIS 576 Cb 0.11 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1ua1 h HIS 576 CO -0.03 0.75 0.39 -0.92 -1.30 0.00 0.00 177.93 176.82 1ua1 h TYR 577 N 0.99 0.73 -0.68 5.26 3.20 -0.52 -2.11 116.97 123.84 1ua1 h TYR 577 Ca 0.24 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1ua1 h TYR 577 Cb 0.11 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1ua1 h TYR 577 CO 0.01 0.45 0.14 0.00 -1.64 0.00 0.00 178.16 177.12 1ua1 h ARG 578 N 0.78 1.11 0.22 1.82 3.08 -0.90 0.23 114.38 120.72 1ua1 h ARG 578 Ca 0.22 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ua1 h ARG 578 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1ua1 h ARG 578 CO -0.06 1.00 -0.23 0.37 -1.07 0.00 0.00 179.97 179.97 1ua1 h GLN 579 N 1.04 -0.47 -0.52 0.04 4.15 -0.96 1.00 115.11 119.37 1ua1 h GLN 579 Ca 0.21 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1ua1 h GLN 579 Cb 0.40 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1ua1 h GLN 579 CO 0.01 -0.32 0.21 -0.07 -1.93 0.00 0.00 178.83 176.73 1ua1 h LEU 580 N -0.49 0.71 -1.35 -2.39 3.38 -1.31 -2.62 115.31 111.25 1ua1 h LEU 580 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ua1 h LEU 580 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1ua1 h LEU 580 CO -0.06 0.68 0.37 1.23 0.09 0.00 0.00 178.44 180.76 1ua1 h GLY 581 N 0.70 0.87 0.89 0.83 0.00 -0.68 0.51 103.07 106.19 1ua1 h GLY 581 Ca 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1ua1 h GLY 581 CO -0.02 0.34 0.06 1.70 0.00 0.00 0.00 176.54 178.62 1ua1 h LYS 582 N 0.83 0.47 -0.30 4.80 1.63 -0.57 -0.64 116.57 122.79 1ua1 h LYS 582 Ca 0.22 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1ua1 h LYS 582 Cb -0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1ua1 h LYS 582 CO -0.04 0.57 0.10 -0.07 -3.45 0.00 0.00 179.45 176.55 1ua1 h LEU 583 N 0.30 0.44 0.75 5.20 3.38 -1.04 -1.92 115.31 122.41 1ua1 h LEU 583 Ca 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ua1 h LEU 583 Cb 0.31 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ua1 h LEU 583 CO 0.00 0.52 -0.36 -0.61 0.09 0.00 0.00 178.44 178.08 1ua1 h GLN 584 N 0.33 -0.97 0.60 1.13 5.75 -0.83 0.10 115.11 121.23 1ua1 h GLN 584 Ca 0.10 0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1ua1 h GLN 584 Cb 0.24 0.22 0.01 0.00 1.07 0.00 0.00 27.48 29.01 1ua1 h GLN 584 CO -0.00 -0.65 -0.29 0.77 -2.65 0.00 0.00 178.83 176.01 1ua1 h SER 585 N -1.08 -0.69 -0.11 -0.69 0.02 -1.19 0.10 113.55 109.91 1ua1 h SER 585 Ca -0.10 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1ua1 h SER 585 Cb 0.77 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1ua1 h SER 585 CO 0.17 -0.36 -0.31 0.74 -1.14 0.00 0.00 176.83 175.93 1ua1 h THR 586 N -1.01 1.38 0.00 -2.27 2.02 -1.51 -2.33 112.91 109.19 1ua1 h THR 586 Ca -0.08 -1.62 -0.17 0.00 0.77 0.00 0.00 66.41 65.31 1ua1 h THR 586 Cb 0.67 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1ua1 h THR 586 CO 0.14 0.48 -1.30 -1.22 0.37 0.00 0.00 175.52 173.98 1ua1 n TYR 587 N -4.40 0.50 0.26 3.16 4.01 -0.95 -3.45 117.16 116.28 1ua1 n TYR 587 Ca -0.07 0.22 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1ua1 n TYR 587 Cb 0.48 -0.84 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 1ua1 n TYR 587 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1ua1 h ILE 588 N -1.00 0.00 -0.56 -0.72 1.08 -0.67 -0.87 117.51 114.77 1ua1 h ILE 588 Ca -0.25 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.04 1ua1 h ILE 588 Cb 1.09 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1ua1 h ILE 588 CO -0.15 0.00 0.05 -0.33 -0.69 0.00 0.00 178.15 177.02 1ua1 h GLU 589 N -0.77 0.95 -0.96 2.37 5.08 -0.93 -1.87 114.58 118.46 1ua1 h GLU 589 Ca -0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1ua1 h GLU 589 Cb 0.52 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1ua1 h GLU 589 CO 0.11 0.94 0.60 0.78 -1.00 0.00 0.00 179.01 180.44 1ua1 h GLY 590 N 0.84 1.38 0.82 -3.84 0.00 -1.44 -2.13 103.07 98.69 1ua1 h GLY 590 Ca 0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1ua1 h GLY 590 CO 0.02 0.54 -0.40 -2.00 0.00 0.00 0.00 176.54 174.69 1ua1 h LEU 591 N 1.32 0.55 -2.08 3.11 5.85 -1.06 -3.19 115.31 119.81 1ua1 h LEU 591 Ca 0.35 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ua1 h LEU 591 Cb -0.10 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 1ua1 h LEU 591 CO -0.07 1.07 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.01 1ua1 h LEU 592 N 0.05 0.00 -0.92 2.25 3.38 -1.17 -1.98 115.31 116.93 1ua1 h LEU 592 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ua1 h LEU 592 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1ua1 h LEU 592 CO 0.08 0.02 -0.34 0.11 0.09 0.00 0.00 178.44 178.40 1ua1 h LYS 593 N 0.00 0.37 -0.02 1.13 1.57 -1.37 -3.26 116.57 114.99 1ua1 h LYS 593 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ua1 h LYS 593 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ua1 h LYS 593 CO 0.00 0.67 -0.23 1.33 -0.57 0.00 0.00 179.45 180.65 1ua1 n VAL 594 N -4.07 0.00 -2.38 0.50 0.24 -0.78 -4.95 118.33 106.89 1ua1 n VAL 594 Ca -0.01 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.50 1ua1 n VAL 594 Cb 0.45 1.38 -0.04 0.00 -1.47 0.00 0.00 33.84 34.16 1ua1 n VAL 594 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ua1 s VAL 595 N -2.21 3.39 -0.35 3.34 1.01 -0.96 -4.63 120.40 119.98 1ua1 s VAL 595 Ca 0.23 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1ua1 s VAL 595 Cb 0.19 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1ua1 s VAL 595 CO 0.43 0.27 0.95 -0.13 0.00 0.00 0.00 175.10 176.62 1ua1 s ARG 596 N -1.04 3.90 0.49 2.72 1.81 -0.05 -4.91 118.95 121.88 1ua1 s ARG 596 Ca 0.48 0.69 0.21 0.00 -1.72 0.00 0.00 55.73 55.40 1ua1 s ARG 596 Cb -0.33 -3.78 1.26 0.00 -0.45 0.00 0.00 34.95 31.65 1ua1 s ARG 596 CO 0.41 -0.92 1.97 -1.00 -0.68 0.00 0.00 175.30 175.09 1ua1 h PRO 597 N 8.37 0.15 0.00 3.54 0.13 -1.93 1.55 132.00 143.81 1ua1 h PRO 597 Ca -0.23 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1ua1 h PRO 597 Cb 1.08 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1ua1 h PRO 597 CO 0.98 0.10 -0.44 0.38 -0.23 0.00 0.00 178.00 178.80 1ua1 h ASP 598 N 0.16 0.00 0.00 1.44 2.03 -1.98 -3.35 116.42 114.72 1ua1 h ASP 598 Ca 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1ua1 h ASP 598 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1ua1 h ASP 598 CO -0.04 0.44 -0.19 0.35 -1.03 0.00 0.00 179.24 178.76 1ua1 n THR 599 N -3.57 0.00 -2.61 1.15 -2.24 -0.81 -5.02 114.28 101.19 1ua1 n THR 599 Ca -0.00 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1ua1 n THR 599 Cb 0.55 0.83 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1ua1 n THR 599 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ua1 n LYS 600 N -0.83 -2.74 -4.31 -0.78 5.02 0.52 -4.85 118.16 110.19 1ua1 n LYS 600 Ca 0.00 0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 56.86 1ua1 n LYS 600 Cb 0.00 -5.40 -0.10 0.00 -0.02 0.00 0.00 35.03 29.51 1ua1 n LYS 600 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ua1 s LYS 601 N -5.20 1.90 -0.09 1.97 1.02 -1.23 0.20 119.74 118.31 1ua1 s LYS 601 Ca 0.12 -1.28 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1ua1 s LYS 601 Cb -0.05 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1ua1 s LYS 601 CO 0.15 0.44 -0.05 0.14 -0.92 0.00 0.00 175.35 175.11 1ua1 s VAL 602 N -1.55 3.82 -0.41 3.17 -7.23 -0.15 -0.87 120.40 117.17 1ua1 s VAL 602 Ca 0.22 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 60.01 1ua1 s VAL 602 Cb -0.09 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.37 1ua1 s VAL 602 CO 0.13 0.57 0.14 -1.00 -0.31 0.00 0.00 175.10 174.63 1ua1 s HIS 603 N -0.50 3.53 0.91 2.82 0.09 -1.26 -1.62 115.29 119.26 1ua1 s HIS 603 Ca 0.08 -3.08 -0.12 0.00 -0.00 0.00 0.00 55.06 51.94 1ua1 s HIS 603 Cb -0.12 -2.88 0.14 0.00 -0.00 0.00 0.00 32.58 29.71 1ua1 s HIS 603 CO 0.02 -0.86 1.11 -0.08 -0.00 0.00 0.00 174.74 174.93 1ua1 s THR 604 N 0.40 2.34 -0.13 1.30 -1.32 -1.26 -4.60 115.64 112.37 1ua1 s THR 604 Ca 0.13 0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1ua1 s THR 604 Cb -0.22 -2.75 0.02 0.00 -1.51 0.00 0.00 72.50 68.04 1ua1 s THR 604 CO -0.05 -0.15 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.44 1ua1 s ILE 605 N -3.11 1.53 -0.41 5.08 1.01 -1.01 -4.67 121.20 119.62 1ua1 s ILE 605 Ca 0.64 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 60.45 1ua1 s ILE 605 Cb -0.16 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1ua1 s ILE 605 CO 0.55 0.45 0.64 -0.36 0.00 0.00 0.00 174.94 176.22 1ua1 s PHE 606 N 1.29 3.09 -0.38 3.97 0.08 -1.26 -1.91 117.98 122.87 1ua1 s PHE 606 Ca 0.00 0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.84 1ua1 s PHE 606 Cb -0.14 -3.27 0.01 0.00 -0.57 0.00 0.00 43.02 39.05 1ua1 s PHE 606 CO -0.07 -0.79 1.27 1.21 -0.10 0.00 0.00 175.22 176.74 1ua1 s ASN 607 N 1.93 6.59 0.00 1.36 3.84 -0.02 -4.86 114.94 123.79 1ua1 s ASN 607 Ca 0.23 0.90 0.25 0.00 0.21 0.00 0.00 52.86 54.44 1ua1 s ASN 607 Cb -0.14 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.50 1ua1 s ASN 607 CO 0.18 -1.21 1.39 1.67 -2.79 0.00 0.00 177.10 176.34 1ua1 n GLN 608 N 7.62 0.10 -2.62 0.43 7.27 -1.26 -2.39 117.38 126.55 1ua1 n GLN 608 Ca 0.14 -0.06 -0.21 0.00 0.07 0.00 0.00 57.00 56.94 1ua1 n GLN 608 Cb 0.48 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.63 1ua1 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ua1 n ALA 609 N -1.39 4.37 0.07 1.69 0.00 -1.26 -4.89 120.51 119.10 1ua1 n ALA 609 Ca 0.06 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.55 1ua1 n ALA 609 Cb 0.34 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ua1 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ua1 n LEU 610 N -0.29 0.54 -4.76 0.00 7.94 -1.26 -4.87 117.00 114.30 1ua1 n LEU 610 Ca 0.28 0.21 -0.39 0.00 -1.11 0.00 0.00 56.01 55.01 1ua1 n LEU 610 Cb 0.68 -0.07 0.02 0.00 0.53 0.00 0.00 43.42 44.59 1ua1 n LEU 610 CO 0.31 -0.65 0.98 0.42 -1.11 0.00 0.00 177.39 177.33 1ua1 s THR 611 N -2.00 2.30 -1.09 1.96 -4.23 -1.26 -4.91 115.64 106.41 1ua1 s THR 611 Ca 0.00 0.24 0.20 0.00 -1.18 0.00 0.00 61.69 60.95 1ua1 s THR 611 Cb 0.00 -3.13 0.20 0.00 1.34 0.00 0.00 72.50 70.92 1ua1 s THR 611 CO 0.00 0.01 1.64 0.00 -0.54 0.00 0.00 174.62 175.73 1ua1 n GLN 612 N -0.62 0.06 0.00 3.99 1.13 -1.26 -3.17 117.38 117.52 1ua1 n GLN 612 Ca 0.08 0.15 0.07 0.00 -1.94 0.00 0.00 57.00 55.35 1ua1 n GLN 612 Cb 0.45 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1ua1 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ua1 n THR 613 N -1.45 0.00 -0.03 5.09 -2.24 -1.26 -4.85 114.28 109.53 1ua1 n THR 613 Ca 0.06 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1ua1 n THR 613 Cb 0.22 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1ua1 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ua1 n GLY 614 N 1.03 0.43 3.82 3.38 0.00 -1.19 -3.62 105.19 109.04 1ua1 n GLY 614 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1ua1 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ua1 s ARG 615 N -0.96 1.70 0.47 1.61 0.52 -1.26 -4.82 118.95 116.21 1ua1 s ARG 615 Ca 0.00 0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 1ua1 s ARG 615 Cb 0.00 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.59 1ua1 s ARG 615 CO 0.00 -1.83 0.66 -0.51 0.02 0.00 0.00 175.30 173.64 1ua1 s LEU 616 N -5.82 3.52 0.13 2.53 1.43 -1.26 -4.22 118.68 115.00 1ua1 s LEU 616 Ca 0.62 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1ua1 s LEU 616 Cb -0.14 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1ua1 s LEU 616 CO 0.53 -0.89 -0.09 -0.94 0.23 0.00 0.00 176.35 175.19 1ua1 s SER 617 N -4.35 1.61 -0.02 2.29 1.04 -1.00 -4.93 113.70 108.33 1ua1 s SER 617 Ca 0.54 -1.01 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1ua1 s SER 617 Cb -0.10 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1ua1 s SER 617 CO 0.36 -0.37 -0.14 -0.55 0.98 0.00 0.00 173.24 173.52 1ua1 s SER 618 N -3.13 1.65 0.04 7.02 0.15 -1.26 -0.84 113.70 117.33 1ua1 s SER 618 Ca 0.15 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 1ua1 s SER 618 Cb 0.03 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1ua1 s SER 618 CO -0.01 0.15 0.03 0.42 1.20 0.00 0.00 173.24 175.03 1ua1 s THR 619 N -0.15 0.16 -0.91 6.45 -4.23 -0.80 -4.13 115.64 112.03 1ua1 s THR 619 Ca 0.02 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.05 1ua1 s THR 619 Cb -0.07 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1ua1 s THR 619 CO 0.00 -0.73 0.58 1.21 -0.54 0.00 0.00 174.62 175.13 1ua1 n GLU 620 N 0.64 -0.89 -3.54 3.99 2.13 -1.26 -2.41 120.64 119.31 1ua1 n GLU 620 Ca -0.18 0.37 -0.20 0.00 0.66 0.00 0.00 57.16 57.81 1ua1 n GLU 620 Cb 0.59 -2.05 -0.01 0.00 0.27 0.00 0.00 31.44 30.24 1ua1 n GLU 620 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1ua1 s PRO 621 N -5.86 3.22 -0.42 5.31 0.04 -1.26 -4.38 135.00 131.65 1ua1 s PRO 621 Ca 0.20 -0.84 -0.29 0.00 0.04 0.00 0.00 61.00 60.11 1ua1 s PRO 621 Cb -0.11 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.65 1ua1 s PRO 621 CO 0.85 0.12 1.10 1.21 0.04 0.00 0.00 177.00 180.32 1ua1 s ASN 622 N -4.12 6.74 -0.04 6.66 3.84 -1.26 -4.63 114.94 122.12 1ua1 s ASN 622 Ca 0.42 0.67 0.20 0.00 0.21 0.00 0.00 52.86 54.37 1ua1 s ASN 622 Cb -0.09 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.71 1ua1 s ASN 622 CO 0.32 -1.10 1.55 0.18 -2.79 0.00 0.00 177.10 175.26 1ua1 n LEU 623 N 7.43 4.18 -0.99 3.21 4.77 -1.26 -4.14 117.00 130.19 1ua1 n LEU 623 Ca 0.12 -2.18 0.11 0.00 -0.03 0.00 0.00 56.01 54.02 1ua1 n LEU 623 Cb 0.48 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 1ua1 n LEU 623 CO 0.66 0.90 0.65 0.00 -1.33 0.00 0.00 177.39 178.27 1ua1 n GLN 624 N 1.33 2.26 -1.45 3.23 6.02 -1.26 -4.42 117.38 123.09 1ua1 n GLN 624 Ca 0.24 -2.06 0.03 0.00 -0.01 0.00 0.00 57.00 55.20 1ua1 n GLN 624 Cb 0.71 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 30.59 1ua1 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1ua1 n ASN 625 N 1.29 1.35 -4.72 1.08 6.94 -1.26 -5.04 115.26 114.91 1ua1 n ASN 625 Ca 0.16 -2.49 -0.42 0.00 -0.02 0.00 0.00 54.58 51.81 1ua1 n ASN 625 Cb 0.55 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 1ua1 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ua1 s ILE 626 N -1.27 3.53 0.63 1.53 -1.09 -1.26 -4.96 121.20 118.31 1ua1 s ILE 626 Ca 0.35 1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 59.74 1ua1 s ILE 626 Cb 0.38 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1ua1 s ILE 626 CO -0.13 0.12 0.85 -0.81 -1.23 0.00 0.00 174.94 173.74 1ua1 n PRO 627 N 3.52 0.70 0.00 2.79 -0.04 -1.26 -4.92 135.00 135.79 1ua1 n PRO 627 Ca 0.09 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1ua1 n PRO 627 Cb 0.44 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1ua1 n PRO 627 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ua1 n ILE 628 N -1.93 0.00 0.13 0.52 3.06 -1.26 -4.13 119.36 115.75 1ua1 n ILE 628 Ca 0.13 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.25 1ua1 n ILE 628 Cb 0.48 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.58 1ua1 n ILE 628 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1ua1 h ARG 629 N 0.00 -0.28 -5.72 9.51 2.43 -1.97 -3.42 114.38 114.93 1ua1 h ARG 629 Ca 0.00 0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.60 1ua1 h ARG 629 Cb 0.00 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 1ua1 h ARG 629 CO 0.00 -0.06 -0.23 -0.51 -1.51 0.00 0.00 179.97 177.67 1ua1 s LEU 630 N -9.81 4.32 0.24 3.80 1.43 -1.26 -4.99 118.68 112.41 1ua1 s LEU 630 Ca -0.15 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1ua1 s LEU 630 Cb 0.04 -2.54 0.46 0.00 0.03 0.00 0.00 46.19 44.17 1ua1 s LEU 630 CO 0.62 0.13 1.70 -0.08 0.23 0.00 0.00 176.35 178.95 1ua1 h GLU 631 N 6.15 0.32 -0.37 1.70 4.57 -1.98 0.13 114.58 125.10 1ua1 h GLU 631 Ca -0.44 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 57.75 1ua1 h GLU 631 Cb 1.19 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1ua1 h GLU 631 CO 0.72 0.21 0.17 0.93 -1.18 0.00 0.00 179.01 179.86 1ua1 h GLU 632 N 0.33 0.34 -0.11 1.92 5.08 -1.97 -1.85 114.58 118.33 1ua1 h GLU 632 Ca 0.41 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.58 1ua1 h GLU 632 Cb 0.68 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ua1 h GLU 632 CO -0.46 0.23 -0.65 0.78 -1.00 0.00 0.00 179.01 177.90 1ua1 h GLY 633 N 0.36 0.48 0.61 -3.84 0.00 -1.79 -3.14 103.07 95.75 1ua1 h GLY 633 Ca 0.16 -0.63 0.12 0.00 0.00 0.00 0.00 47.33 46.99 1ua1 h GLY 633 CO -0.12 0.56 0.57 -0.09 0.00 0.00 0.00 176.54 177.46 1ua1 h ARG 634 N 0.32 0.75 -0.25 4.80 2.43 -0.15 -0.89 114.38 121.38 1ua1 h ARG 634 Ca -0.02 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1ua1 h ARG 634 Cb 1.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1ua1 h ARG 634 CO 0.11 0.50 0.45 0.87 -1.51 0.00 0.00 179.97 180.39 1ua1 h LYS 635 N 0.78 0.00 -0.73 0.20 1.79 -1.30 -0.07 116.57 117.23 1ua1 h LYS 635 Ca 0.43 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 59.03 1ua1 h LYS 635 Cb 0.58 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 1ua1 h LYS 635 CO -0.20 0.00 0.49 0.82 -1.08 0.00 0.00 179.45 179.48 1ua1 h ILE 636 N 0.00 0.86 0.00 1.86 1.08 -1.34 -1.13 117.51 118.84 1ua1 h ILE 636 Ca 0.12 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1ua1 h ILE 636 Cb 1.01 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1ua1 h ILE 636 CO -0.00 0.09 0.00 0.54 -0.69 0.00 0.00 178.15 178.09 1ua1 n ARG 637 N -4.49 0.13 0.25 2.37 1.74 -0.04 -1.54 116.66 115.09 1ua1 n ARG 637 Ca 0.13 0.49 0.16 0.00 -0.77 0.00 0.00 57.85 57.87 1ua1 n ARG 637 Cb 0.44 -1.83 0.63 0.00 -1.02 0.00 0.00 32.46 30.68 1ua1 n ARG 637 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1ua1 h GLN 638 N 0.00 0.00 0.00 5.56 4.20 -1.39 -2.32 115.11 121.16 1ua1 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ua1 h GLN 638 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ua1 h GLN 638 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1ua1 n ALA 639 N -2.04 2.25 -2.52 3.87 0.00 -0.59 -4.63 120.51 116.85 1ua1 n ALA 639 Ca 0.01 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1ua1 n ALA 639 Cb 0.31 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 1ua1 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ua1 s PHE 640 N -3.06 3.22 0.32 0.00 0.40 -1.02 0.08 117.98 117.91 1ua1 s PHE 640 Ca 0.12 -0.19 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1ua1 s PHE 640 Cb 0.15 -2.61 -0.06 0.00 0.51 0.00 0.00 43.02 41.01 1ua1 s PHE 640 CO 0.54 -0.45 -0.02 0.14 0.70 0.00 0.00 175.22 176.14 1ua1 s VAL 641 N 1.88 1.62 0.68 -0.44 -7.23 -0.62 -1.41 120.40 114.88 1ua1 s VAL 641 Ca 0.09 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 1ua1 s VAL 641 Cb -0.17 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1ua1 s VAL 641 CO 0.11 -0.16 1.25 -2.84 -0.31 0.00 0.00 175.10 173.15 1ua1 s PRO 642 N -3.76 2.39 0.00 4.82 0.02 -1.26 -3.71 135.00 133.49 1ua1 s PRO 642 Ca 0.33 1.93 0.28 0.00 0.02 0.00 0.00 61.00 63.55 1ua1 s PRO 642 Cb 0.06 -1.84 0.98 0.00 0.02 0.00 0.00 34.50 33.71 1ua1 s PRO 642 CO 0.14 -1.69 1.74 -1.13 -0.33 0.00 0.00 177.00 175.73 1ua1 n SER 643 N -2.23 0.24 -4.23 2.53 3.41 -1.26 -4.80 113.62 107.28 1ua1 n SER 643 Ca 0.15 0.09 -0.15 0.00 -0.26 0.00 0.00 58.87 58.70 1ua1 n SER 643 Cb 0.49 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1ua1 n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ua1 s GLU 644 N -2.93 0.99 0.33 4.33 0.41 -1.26 -5.05 118.70 115.52 1ua1 s GLU 644 Ca 0.15 -1.31 -0.28 0.00 -0.41 0.00 0.00 54.97 53.12 1ua1 s GLU 644 Cb 0.19 -0.69 -0.10 0.00 -1.78 0.00 0.00 34.13 31.75 1ua1 s GLU 644 CO 0.58 0.11 1.24 -1.12 -0.49 0.00 0.00 175.26 175.58 1ua1 s SER 645 N -2.75 6.84 -1.28 -0.19 0.01 -1.26 -2.95 113.70 112.12 1ua1 s SER 645 Ca 0.11 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1ua1 s SER 645 Cb -0.01 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1ua1 s SER 645 CO 0.01 -0.47 0.00 0.47 0.41 0.00 0.00 173.24 173.66 1ua1 n ASP 646 N 0.78 -4.37 -4.68 2.44 8.00 -1.26 -4.97 116.55 112.49 1ua1 n ASP 646 Ca 0.00 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 1ua1 n ASP 646 Cb 0.43 -3.30 -0.07 0.00 -0.02 0.00 0.00 41.12 38.17 1ua1 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ua1 s TRP 647 N -2.58 2.75 0.10 1.24 0.52 -1.15 -0.96 118.94 118.85 1ua1 s TRP 647 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1ua1 s TRP 647 Cb 0.00 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 31.00 1ua1 s TRP 647 CO 0.00 0.57 -0.07 -0.51 0.02 0.00 0.00 176.95 176.96 1ua1 s LEU 648 N -3.72 2.50 -0.07 2.99 1.43 0.11 -4.76 118.68 117.17 1ua1 s LEU 648 Ca 0.32 -0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 52.25 1ua1 s LEU 648 Cb -0.06 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 1ua1 s LEU 648 CO 0.21 -0.44 0.51 -0.63 0.23 0.00 0.00 176.35 176.23 1ua1 s ILE 649 N -3.49 5.08 -0.10 -0.59 -1.09 -0.13 -1.51 121.20 119.36 1ua1 s ILE 649 Ca 0.11 1.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.61 1ua1 s ILE 649 Cb 0.04 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1ua1 s ILE 649 CO -0.04 0.38 -0.18 0.12 -1.23 0.00 0.00 174.94 173.99 1ua1 s PHE 650 N 0.17 2.15 -0.07 3.97 2.19 0.54 -1.28 117.98 125.66 1ua1 s PHE 650 Ca 0.28 -0.95 0.03 0.00 0.33 0.00 0.00 56.93 56.62 1ua1 s PHE 650 Cb -0.16 -1.50 0.01 0.00 -1.31 0.00 0.00 43.02 40.05 1ua1 s PHE 650 CO 0.13 -0.44 -0.16 0.00 1.83 0.00 0.00 175.22 176.57 1ua1 s ALA 651 N 0.70 1.55 -0.05 11.12 0.00 0.24 0.00 121.76 135.32 1ua1 s ALA 651 Ca -0.12 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1ua1 s ALA 651 Cb -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1ua1 s ALA 651 CO 0.03 0.20 -0.15 0.00 0.00 0.00 0.00 175.76 175.84 1ua1 s ALA 652 N 0.41 1.40 0.02 0.00 0.00 -0.41 -1.28 121.76 121.91 1ua1 s ALA 652 Ca -0.13 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ua1 s ALA 652 Cb -0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1ua1 s ALA 652 CO 0.05 0.20 -0.11 0.16 0.00 0.00 0.00 175.76 176.06 1ua1 s ASP 653 N 0.31 1.29 0.21 0.00 -4.77 -0.10 -0.40 116.67 113.21 1ua1 s ASP 653 Ca -0.09 -0.35 -0.30 0.00 -3.30 0.00 0.00 52.55 48.51 1ua1 s ASP 653 Cb -0.13 -0.09 -0.08 0.00 -1.09 0.00 0.00 42.92 41.53 1ua1 s ASP 653 CO 0.03 0.03 1.15 -0.31 0.70 0.00 0.00 175.17 176.77 1ua1 s TYR 654 N -0.67 3.50 -0.43 2.11 2.02 0.16 -0.61 117.35 123.43 1ua1 s TYR 654 Ca 0.00 1.54 -0.21 0.00 -0.37 0.00 0.00 57.07 58.03 1ua1 s TYR 654 Cb -0.06 -3.36 0.02 0.00 -0.40 0.00 0.00 41.96 38.16 1ua1 s TYR 654 CO 0.00 -0.91 0.66 0.45 -1.57 0.00 0.00 175.55 174.19 1ua1 s SER 655 N -0.19 6.35 -1.39 2.29 0.15 0.69 -4.40 113.70 117.20 1ua1 s SER 655 Ca 0.50 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 1ua1 s SER 655 Cb -0.32 -2.33 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1ua1 s SER 655 CO 0.38 -0.78 0.81 0.00 1.20 0.00 0.00 173.24 174.85 1ua1 n GLN 656 N 6.30 -5.21 -0.14 5.44 1.13 -1.26 -4.60 117.38 119.05 1ua1 n GLN 656 Ca -0.01 0.62 -0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1ua1 n GLN 656 Cb 0.48 -5.30 0.26 0.00 0.11 0.00 0.00 30.24 25.79 1ua1 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1ua1 h ILE 657 N -1.97 1.19 -0.30 5.09 2.10 -1.92 -2.00 117.51 119.70 1ua1 h ILE 657 Ca -0.60 -0.50 -0.00 0.00 1.08 0.00 0.00 64.86 64.83 1ua1 h ILE 657 Cb 1.37 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1ua1 h ILE 657 CO 0.60 0.22 0.17 -0.33 -1.08 0.00 0.00 178.15 177.73 1ua1 h GLU 658 N 0.84 0.41 0.00 2.19 3.07 -1.90 0.13 114.58 119.32 1ua1 h GLU 658 Ca 0.21 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1ua1 h GLU 658 Cb 0.05 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1ua1 h GLU 658 CO -0.03 0.34 -0.40 -0.07 -1.40 0.00 0.00 179.01 177.44 1ua1 h LEU 659 N 0.37 0.00 -0.18 1.33 3.38 -1.91 -0.59 115.31 117.71 1ua1 h LEU 659 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1ua1 h LEU 659 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ua1 h LEU 659 CO -0.02 0.40 -0.65 0.03 0.09 0.00 0.00 178.44 178.30 1ua1 h ARG 660 N 0.00 0.76 -0.82 1.13 3.08 -0.98 -0.75 114.38 116.80 1ua1 h ARG 660 Ca -0.00 -0.57 -0.04 0.00 0.07 0.00 0.00 59.98 59.43 1ua1 h ARG 660 Cb 0.92 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1ua1 h ARG 660 CO 0.05 1.19 0.36 0.28 -1.07 0.00 0.00 179.97 180.78 1ua1 h VAL 661 N 0.48 1.26 -0.50 2.04 2.07 -0.52 -1.46 116.25 119.62 1ua1 h VAL 661 Ca -0.03 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1ua1 h VAL 661 Cb 1.27 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ua1 h VAL 661 CO 0.14 0.33 0.20 0.25 0.02 0.00 0.00 177.57 178.50 1ua1 h LEU 662 N 1.18 0.70 -0.89 2.57 5.85 -0.93 -0.56 115.31 123.22 1ua1 h LEU 662 Ca 0.28 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ua1 h LEU 662 Cb 0.17 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1ua1 h LEU 662 CO -0.03 0.68 0.58 0.00 -0.34 0.00 0.00 178.44 179.32 1ua1 h ALA 663 N 1.05 1.17 0.18 1.25 0.00 -0.77 -1.00 119.26 121.14 1ua1 h ALA 663 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ua1 h ALA 663 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ua1 h ALA 663 CO -0.01 0.44 -0.09 1.25 0.00 0.00 0.00 179.25 180.83 1ua1 h HIS 664 N 1.12 -0.22 -0.19 0.00 -0.00 -0.83 0.08 115.15 115.10 1ua1 h HIS 664 Ca 0.35 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.58 1ua1 h HIS 664 Cb -0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1ua1 h HIS 664 CO -0.02 0.06 -0.47 -0.84 -0.00 0.00 0.00 177.93 176.66 1ua1 h ILE 665 N -0.50 1.32 0.00 6.26 3.07 -1.00 -3.03 117.51 123.62 1ua1 h ILE 665 Ca -0.02 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.71 1ua1 h ILE 665 Cb 0.39 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1ua1 h ILE 665 CO 0.04 0.52 -0.37 0.00 -1.05 0.00 0.00 178.15 177.29 1ua1 h ALA 666 N 1.09 0.79 -6.21 0.16 0.00 -1.26 -3.48 119.26 110.36 1ua1 h ALA 666 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.48 1ua1 h ALA 666 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ua1 h ALA 666 CO 0.09 0.00 -0.79 0.39 0.00 0.00 0.00 179.25 178.94 1ua1 n GLU 667 N -2.65 -5.31 -2.66 0.00 1.02 0.00 -4.67 120.64 106.38 1ua1 n GLU 667 Ca 0.03 0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 1ua1 n GLU 667 Cb 0.50 -5.35 -0.02 0.00 -0.02 0.00 0.00 31.44 26.54 1ua1 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ua1 s ASP 668 N -3.77 6.98 0.23 1.62 -1.08 -1.15 -4.89 116.67 114.61 1ua1 s ASP 668 Ca 0.38 1.15 -0.06 0.00 -0.52 0.00 0.00 52.55 53.50 1ua1 s ASP 668 Cb -0.19 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.08 1ua1 s ASP 668 CO 0.82 -0.79 1.80 0.44 0.52 0.00 0.00 175.17 177.96 1ua1 h ASP 669 N 7.86 0.60 -0.19 -0.34 3.32 -1.91 -0.04 116.42 125.72 1ua1 h ASP 669 Ca -0.20 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1ua1 h ASP 669 Cb 1.06 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1ua1 h ASP 669 CO 1.01 0.35 -0.15 -1.13 -1.72 0.00 0.00 179.24 177.60 1ua1 h ASN 670 N 0.73 0.47 -0.52 6.45 -1.24 -1.92 -1.82 115.58 117.72 1ua1 h ASN 670 Ca 0.36 -0.45 -0.11 0.00 0.71 0.00 0.00 56.30 56.81 1ua1 h ASN 670 Cb 0.32 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1ua1 h ASN 670 CO -0.24 0.83 -0.10 0.25 -1.29 0.00 0.00 177.43 176.88 1ua1 h LEU 671 N 0.12 0.99 -0.40 0.34 5.85 -1.84 -1.49 115.31 118.88 1ua1 h LEU 671 Ca 0.04 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1ua1 h LEU 671 Cb 0.68 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ua1 h LEU 671 CO 0.04 1.11 0.14 0.24 -0.34 0.00 0.00 178.44 179.63 1ua1 h MET 672 N 0.86 0.61 -0.90 1.25 2.86 -1.02 -2.31 114.93 116.27 1ua1 h MET 672 Ca 0.14 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ua1 h MET 672 Cb 0.66 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1ua1 h MET 672 CO 0.05 0.60 0.57 1.49 1.06 0.00 0.00 176.91 180.68 1ua1 h GLU 673 N 0.50 1.20 -0.22 1.72 4.57 -1.21 -0.31 114.58 120.83 1ua1 h GLU 673 Ca 0.13 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1ua1 h GLU 673 Cb 0.23 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ua1 h GLU 673 CO -0.01 0.81 0.11 0.00 -1.18 0.00 0.00 179.01 178.74 1ua1 h ALA 674 N 1.41 0.26 0.00 2.92 0.00 -0.89 -1.59 119.26 121.37 1ua1 h ALA 674 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1ua1 h ALA 674 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ua1 h ALA 674 CO -0.07 -0.30 -0.43 0.74 0.00 0.00 0.00 179.25 179.19 1ua1 h PHE 675 N 0.23 0.00 0.00 0.00 0.04 -1.04 -1.59 116.94 114.59 1ua1 h PHE 675 Ca 0.09 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1ua1 h PHE 675 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1ua1 h PHE 675 CO -0.09 0.43 -0.26 0.00 -0.60 0.00 0.00 178.31 177.79 1ua1 h ARG 676 N 0.00 0.00 -0.02 1.51 3.08 -0.62 -0.71 114.38 117.62 1ua1 h ARG 676 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ua1 h ARG 676 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ua1 h ARG 676 CO 0.06 0.26 -0.11 0.54 -1.07 0.00 0.00 179.97 179.64 1ua1 n ARG 677 N -3.60 1.56 -3.92 0.04 1.74 -0.64 -4.95 116.66 106.89 1ua1 n ARG 677 Ca -0.01 -1.05 -0.28 0.00 -0.77 0.00 0.00 57.85 55.74 1ua1 n ARG 677 Cb 0.39 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1ua1 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ua1 n ASP 678 N 0.20 -2.68 -4.79 0.55 2.03 -0.27 -4.94 116.55 106.64 1ua1 n ASP 678 Ca 0.15 -0.88 -0.31 0.00 0.52 0.00 0.00 54.79 54.28 1ua1 n ASP 678 Cb 0.41 -3.56 0.08 0.00 -0.72 0.00 0.00 41.12 37.33 1ua1 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ua1 s LEU 679 N -7.06 2.87 -0.44 -2.67 1.02 -0.67 -4.95 118.68 106.79 1ua1 s LEU 679 Ca 0.37 1.56 -0.29 0.00 0.02 0.00 0.00 54.13 55.80 1ua1 s LEU 679 Cb -0.19 -4.28 0.01 0.00 0.02 0.00 0.00 46.19 41.75 1ua1 s LEU 679 CO 0.85 -1.84 1.42 -0.62 0.02 0.00 0.00 176.35 176.19 1ua1 s ASP 680 N -3.70 6.29 0.46 2.29 -1.08 -1.26 -4.87 116.67 114.80 1ua1 s ASP 680 Ca 0.60 0.74 0.13 0.00 -0.52 0.00 0.00 52.55 53.50 1ua1 s ASP 680 Cb -0.15 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.82 1ua1 s ASP 680 CO 0.55 -1.49 2.05 -0.29 0.52 0.00 0.00 175.17 176.51 1ua1 h ILE 681 N 6.47 1.09 0.03 4.11 6.09 -1.94 -0.85 117.51 132.49 1ua1 h ILE 681 Ca -0.27 -0.36 -0.28 0.00 -1.37 0.00 0.00 64.86 62.58 1ua1 h ILE 681 Cb 1.10 1.09 0.02 0.00 0.47 0.00 0.00 36.82 39.51 1ua1 h ILE 681 CO 1.10 0.11 -1.10 0.45 -3.07 0.00 0.00 178.15 175.65 1ua1 h HIS 682 N 0.10 1.03 -0.46 2.19 3.86 -1.93 -1.24 115.15 118.70 1ua1 h HIS 682 Ca 0.02 -0.58 -0.06 0.00 -1.16 0.00 0.00 60.37 58.59 1ua1 h HIS 682 Cb 0.16 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1ua1 h HIS 682 CO 0.00 1.42 0.04 1.15 0.86 0.00 0.00 177.93 181.40 1ua1 h THR 683 N 0.36 1.26 -0.56 2.45 2.02 -1.84 -0.76 112.91 115.84 1ua1 h THR 683 Ca -0.14 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1ua1 h THR 683 Cb 1.75 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1ua1 h THR 683 CO 0.21 0.34 0.28 0.50 0.37 0.00 0.00 175.52 177.23 1ua1 h LYS 684 N 0.65 0.79 -0.79 6.66 1.63 -1.17 -0.04 116.57 124.30 1ua1 h LYS 684 Ca 0.14 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1ua1 h LYS 684 Cb 0.45 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1ua1 h LYS 684 CO 0.02 0.64 0.31 1.15 -3.45 0.00 0.00 179.45 178.11 1ua1 h THR 685 N 0.75 1.26 -0.46 1.00 2.02 -1.01 -1.91 112.91 114.56 1ua1 h THR 685 Ca 0.19 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1ua1 h THR 685 Cb 0.10 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1ua1 h THR 685 CO -0.03 0.34 0.19 0.00 0.37 0.00 0.00 175.52 176.40 1ua1 h ALA 686 N 1.16 0.59 -0.56 6.16 0.00 -0.72 -1.21 119.26 124.69 1ua1 h ALA 686 Ca 0.26 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ua1 h ALA 686 Cb 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1ua1 h ALA 686 CO -0.02 0.19 0.28 0.52 0.00 0.00 0.00 179.25 180.22 1ua1 h MET 687 N 0.60 0.51 0.08 0.00 2.07 -0.62 -1.55 114.93 116.03 1ua1 h MET 687 Ca 0.15 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1ua1 h MET 687 Cb 0.18 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1ua1 h MET 687 CO -0.01 0.34 -0.04 -0.44 1.07 0.00 0.00 176.91 177.83 1ua1 h ASP 688 N 0.53 -0.09 0.85 1.22 3.32 -1.09 -0.11 116.42 121.04 1ua1 h ASP 688 Ca 0.25 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1ua1 h ASP 688 Cb 0.18 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1ua1 h ASP 688 CO -0.18 0.40 -0.24 0.16 -1.72 0.00 0.00 179.24 177.66 1ua1 h ILE 689 N -0.62 0.62 -0.02 0.35 3.07 -1.23 -2.96 117.51 116.71 1ua1 h ILE 689 Ca -0.01 -1.13 0.00 0.00 1.55 0.00 0.00 64.86 65.26 1ua1 h ILE 689 Cb 0.51 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1ua1 h ILE 689 CO 0.02 0.24 -0.21 0.49 -1.05 0.00 0.00 178.15 177.64 1ua1 n PHE 690 N -3.44 0.00 -3.63 0.16 3.72 -0.58 -4.93 117.46 108.75 1ua1 n PHE 690 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1ua1 n PHE 690 Cb 0.42 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1ua1 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ua1 n GLN 691 N 0.57 -4.69 -4.33 -1.08 1.13 -0.16 -5.01 117.38 103.79 1ua1 n GLN 691 Ca 0.10 0.65 -0.17 0.00 -1.94 0.00 0.00 57.00 55.65 1ua1 n GLN 691 Cb 0.47 -5.24 -0.10 0.00 0.11 0.00 0.00 30.24 25.48 1ua1 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1ua1 s VAL 692 N -3.60 0.85 0.82 5.09 -7.23 -0.55 -5.04 120.40 110.73 1ua1 s VAL 692 Ca 0.06 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1ua1 s VAL 692 Cb -0.02 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1ua1 s VAL 692 CO 0.80 -0.18 1.14 -0.55 -0.31 0.00 0.00 175.10 176.00 1ua1 s SER 693 N -3.32 4.41 0.24 4.85 0.15 -1.26 -4.59 113.70 114.18 1ua1 s SER 693 Ca 0.32 1.00 -0.06 0.00 0.70 0.00 0.00 55.95 57.92 1ua1 s SER 693 Cb 0.07 -1.62 0.25 0.00 -1.71 0.00 0.00 66.02 63.01 1ua1 s SER 693 CO 0.11 -1.99 1.85 -0.08 1.20 0.00 0.00 173.24 174.33 1ua1 h GLU 694 N -1.11 1.18 0.00 5.44 4.81 -1.97 -1.74 114.58 121.19 1ua1 h GLU 694 Ca -0.47 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 1ua1 h GLU 694 Cb 1.30 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ua1 h GLU 694 CO 0.63 0.89 -0.04 -0.44 -0.73 0.00 0.00 179.01 179.32 1ua1 h ASP 695 N 1.18 0.00 0.30 1.04 3.32 -2.01 -2.48 116.42 117.77 1ua1 h ASP 695 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1ua1 h ASP 695 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ua1 h ASP 695 CO -0.04 0.04 -0.15 -0.62 -1.72 0.00 0.00 179.24 176.75 1ua1 n GLU 696 N -3.19 0.79 -2.53 3.56 1.02 -0.66 -4.83 120.64 114.79 1ua1 n GLU 696 Ca -0.00 -0.34 -0.43 0.00 -0.02 0.00 0.00 57.16 56.36 1ua1 n GLU 696 Cb 0.26 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1ua1 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ua1 s VAL 697 N -2.45 4.32 0.58 2.62 1.01 -0.94 -4.90 120.40 120.64 1ua1 s VAL 697 Ca 0.28 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.72 1ua1 s VAL 697 Cb 0.20 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1ua1 s VAL 697 CO 0.48 -0.47 0.89 0.42 0.00 0.00 0.00 175.10 176.41 1ua1 s THR 698 N 3.98 3.75 0.23 3.92 -4.23 -1.26 -4.92 115.64 117.10 1ua1 s THR 698 Ca 0.51 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1ua1 s THR 698 Cb -0.15 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1ua1 s THR 698 CO 0.19 -0.49 1.82 -0.65 -0.54 0.00 0.00 174.62 174.95 1ua1 h PRO 699 N -0.13 0.75 -0.26 3.99 0.11 -2.00 -1.85 132.00 132.60 1ua1 h PRO 699 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1ua1 h PRO 699 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ua1 h PRO 699 CO 0.61 0.50 -0.14 -0.97 -0.21 0.00 0.00 178.00 177.78 1ua1 h ASN 700 N 0.77 0.44 -0.45 -2.05 -1.24 -1.99 -0.84 115.58 110.21 1ua1 h ASN 700 Ca 0.34 -0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 1ua1 h ASN 700 Cb 0.23 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1ua1 h ASN 700 CO -0.20 0.61 0.11 0.24 -1.29 0.00 0.00 177.43 176.90 1ua1 h MET 701 N 0.42 0.73 -0.47 6.67 2.86 -1.74 -1.73 114.93 121.66 1ua1 h MET 701 Ca 0.08 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1ua1 h MET 701 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1ua1 h MET 701 CO 0.03 0.73 -0.10 -0.09 1.06 0.00 0.00 176.91 178.54 1ua1 h ARG 702 N 0.60 0.86 -0.31 1.72 2.43 -1.03 -1.03 114.38 117.61 1ua1 h ARG 702 Ca 0.14 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1ua1 h ARG 702 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1ua1 h ARG 702 CO 0.00 0.92 0.19 -0.09 -1.51 0.00 0.00 179.97 179.48 1ua1 h ARG 703 N 0.77 0.42 -0.12 0.20 2.43 -0.92 0.50 114.38 117.66 1ua1 h ARG 703 Ca 0.13 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1ua1 h ARG 703 Cb 0.60 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1ua1 h ARG 703 CO 0.04 0.31 -0.49 1.96 -1.51 0.00 0.00 179.97 180.28 1ua1 h GLN 704 N 0.40 0.32 -0.20 0.20 4.20 -1.15 -1.44 115.11 117.43 1ua1 h GLN 704 Ca 0.11 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1ua1 h GLN 704 Cb -0.00 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ua1 h GLN 704 CO -0.02 0.74 -0.36 0.00 -0.67 0.00 0.00 178.83 178.52 1ua1 h ALA 705 N 1.23 1.02 -0.20 3.87 0.00 -0.91 -1.99 119.26 122.29 1ua1 h ALA 705 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1ua1 h ALA 705 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ua1 h ALA 705 CO 0.08 0.60 -0.36 -0.22 0.00 0.00 0.00 179.25 179.35 1ua1 h LYS 706 N 0.37 0.42 -0.32 0.00 3.64 -0.55 -1.95 116.57 118.18 1ua1 h LYS 706 Ca 0.04 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1ua1 h LYS 706 Cb 0.80 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1ua1 h LYS 706 CO 0.06 0.73 -0.25 0.00 -2.27 0.00 0.00 179.45 177.72 1ua1 h ALA 707 N 1.26 0.97 -0.32 5.00 0.00 -0.86 0.12 119.26 125.44 1ua1 h ALA 707 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ua1 h ALA 707 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ua1 h ALA 707 CO 0.06 0.60 0.03 0.28 0.00 0.00 0.00 179.25 180.23 1ua1 h VAL 708 N 0.55 1.24 -0.56 0.00 2.07 -1.03 -1.24 116.25 117.28 1ua1 h VAL 708 Ca 0.08 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1ua1 h VAL 708 Cb 0.72 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1ua1 h VAL 708 CO 0.06 0.29 0.01 0.78 0.02 0.00 0.00 177.57 178.72 1ua1 h ASN 709 N 0.37 0.96 -0.82 0.57 2.35 -1.09 -1.99 115.58 115.93 1ua1 h ASN 709 Ca 0.10 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1ua1 h ASN 709 Cb 0.39 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1ua1 h ASN 709 CO 0.01 1.03 0.54 0.15 -1.65 0.00 0.00 177.43 177.51 1ua1 h PHE 710 N 0.87 0.97 -0.35 1.19 3.57 -0.63 0.55 116.94 123.10 1ua1 h PHE 710 Ca 0.16 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1ua1 h PHE 710 Cb 0.53 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1ua1 h PHE 710 CO 0.04 0.56 -0.20 0.78 -2.23 0.00 0.00 178.31 177.26 1ua1 h GLY 711 N 1.00 0.73 1.46 2.40 0.00 -0.73 -1.93 103.07 105.99 1ua1 h GLY 711 Ca 0.33 -0.59 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1ua1 h GLY 711 CO -0.10 0.54 -0.87 -2.22 0.00 0.00 0.00 176.54 173.89 1ua1 h ILE 712 N 0.60 1.36 -0.49 2.60 2.04 -0.57 0.33 117.51 123.38 1ua1 h ILE 712 Ca 0.09 -2.26 -0.12 0.00 1.00 0.00 0.00 64.86 63.57 1ua1 h ILE 712 Cb 0.66 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1ua1 h ILE 712 CO 0.05 0.69 -0.16 0.58 0.00 0.00 0.00 178.15 179.30 1ua1 h VAL 713 N 0.31 1.27 -0.01 1.67 2.07 -0.84 -3.26 116.25 117.46 1ua1 h VAL 713 Ca -0.07 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1ua1 h VAL 713 Cb 1.49 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1ua1 h VAL 713 CO 0.16 0.45 -0.70 -1.22 0.02 0.00 0.00 177.57 176.28 1ua1 n TYR 714 N -4.13 0.00 -3.43 1.57 4.01 -0.73 -4.74 117.16 109.71 1ua1 n TYR 714 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 1ua1 n TYR 714 Cb 0.42 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.52 1ua1 n TYR 714 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ua1 n GLY 715 N 1.46 -0.38 3.82 2.72 0.00 0.11 -4.98 105.19 107.94 1ua1 n GLY 715 Ca 0.07 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1ua1 n GLY 715 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ua1 s ILE 716 N -3.32 4.07 0.94 -0.61 -4.36 -0.92 -4.87 121.20 112.12 1ua1 s ILE 716 Ca 0.24 0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 61.28 1ua1 s ILE 716 Cb -0.11 -3.46 0.15 0.00 1.25 0.00 0.00 42.46 40.30 1ua1 s ILE 716 CO 0.69 -0.79 1.09 -0.94 0.24 0.00 0.00 174.94 175.23 1ua1 s SER 717 N -3.52 3.08 0.36 4.36 1.04 -1.26 -4.86 113.70 112.89 1ua1 s SER 717 Ca 0.59 1.48 0.06 0.00 0.48 0.00 0.00 55.95 58.55 1ua1 s SER 717 Cb -0.14 -2.15 0.67 0.00 0.10 0.00 0.00 66.02 64.50 1ua1 s SER 717 CO 0.49 -2.88 1.91 0.44 0.98 0.00 0.00 173.24 174.17 1ua1 h ASP 718 N -1.72 0.44 -0.37 7.02 3.45 -2.00 -2.31 116.42 120.93 1ua1 h ASP 718 Ca -0.51 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 56.82 1ua1 h ASP 718 Cb 1.29 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 1ua1 h ASP 718 CO 0.54 0.50 0.03 0.22 -1.57 0.00 0.00 179.24 178.96 1ua1 h TYR 719 N 0.46 0.68 0.00 4.55 3.20 -1.98 -1.76 116.97 122.13 1ua1 h TYR 719 Ca 0.10 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ua1 h TYR 719 Cb 0.29 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ua1 h TYR 719 CO 0.01 0.71 -0.09 0.78 -1.64 0.00 0.00 178.16 177.93 1ua1 h GLY 720 N 0.46 0.00 0.27 1.82 0.00 -1.78 -2.81 103.07 101.02 1ua1 h GLY 720 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ua1 h GLY 720 CO 0.01 0.00 -0.00 -2.00 0.00 0.00 0.00 176.54 174.55 1ua1 h LEU 721 N 0.00 -0.01 -1.35 3.11 5.85 -1.11 -2.49 115.31 119.31 1ua1 h LEU 721 Ca -0.00 -0.71 0.26 0.00 0.84 0.00 0.00 57.88 58.27 1ua1 h LEU 721 Cb 0.16 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1ua1 h LEU 721 CO 0.01 0.71 0.66 0.00 -0.34 0.00 0.00 178.44 179.48 1ua1 h ALA 722 N 0.22 2.19 0.25 1.25 0.00 -1.11 -0.24 119.26 121.82 1ua1 h ALA 722 Ca -0.00 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1ua1 h ALA 722 Cb 0.72 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ua1 h ALA 722 CO 0.00 -0.58 -1.43 1.96 0.00 0.00 0.00 179.25 179.20 1ua1 h GLN 723 N 0.42 0.53 -0.01 0.00 4.20 -1.56 1.26 115.11 119.95 1ua1 h GLN 723 Ca 0.58 -0.90 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1ua1 h GLN 723 Cb 1.44 0.34 -0.00 0.00 0.30 0.00 0.00 27.48 29.55 1ua1 h GLN 723 CO -0.29 1.43 0.02 -0.91 -0.67 0.00 0.00 178.83 178.41 1ua1 h ASN 724 N 0.11 0.00 -0.02 1.46 -0.26 -0.63 0.86 115.58 117.10 1ua1 h ASN 724 Ca -0.25 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1ua1 h ASN 724 Cb 2.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.39 1ua1 h ASN 724 CO 0.27 0.00 -0.11 0.18 -1.06 0.00 0.00 177.43 176.71 1ua1 n LEU 725 N -3.58 2.25 -4.02 1.61 4.77 -0.26 -4.98 117.00 112.79 1ua1 n LEU 725 Ca -0.03 -0.93 -0.28 0.00 -0.03 0.00 0.00 56.01 54.74 1ua1 n LEU 725 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1ua1 n LEU 725 CO 0.25 0.40 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.35 1ua1 n ASN 726 N 0.66 -1.40 -2.86 -1.43 5.15 0.30 -4.96 115.26 110.72 1ua1 n ASN 726 Ca 0.09 -0.99 -0.15 0.00 -0.60 0.00 0.00 54.58 52.94 1ua1 n ASN 726 Cb 0.42 -3.04 -0.04 0.00 -0.53 0.00 0.00 39.78 36.59 1ua1 n ASN 726 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ua1 n ILE 727 N -4.42 0.00 -2.80 -1.44 -5.35 0.41 -4.97 119.36 100.79 1ua1 n ILE 727 Ca -0.19 -1.40 -0.32 0.00 -0.27 0.00 0.00 62.75 60.57 1ua1 n ILE 727 Cb 0.62 0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 38.99 1ua1 n ILE 727 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ua1 s SER 728 N -2.47 6.70 0.33 7.28 1.04 -1.26 -4.38 113.70 120.94 1ua1 s SER 728 Ca 0.13 1.41 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1ua1 s SER 728 Cb 0.01 -2.43 0.62 0.00 0.10 0.00 0.00 66.02 64.32 1ua1 s SER 728 CO 0.09 -0.39 1.96 0.08 0.98 0.00 0.00 173.24 175.96 1ua1 h ARG 729 N 1.57 0.87 -0.38 4.02 0.11 -1.93 -0.04 114.38 118.60 1ua1 h ARG 729 Ca -0.48 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.55 1ua1 h ARG 729 Cb 1.18 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 32.05 1ua1 h ARG 729 CO 0.63 0.58 0.25 1.57 0.10 0.00 0.00 179.97 183.09 1ua1 h LYS 730 N 0.90 0.51 0.00 0.08 2.10 -1.99 -1.83 116.57 116.33 1ua1 h LYS 730 Ca 0.32 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.82 1ua1 h LYS 730 Cb 0.12 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 1ua1 h LYS 730 CO -0.10 0.35 -0.52 0.93 -2.00 0.00 0.00 179.45 178.10 1ua1 h GLU 731 N 0.51 0.00 0.13 0.07 5.08 -1.72 -2.98 114.58 115.67 1ua1 h GLU 731 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1ua1 h GLU 731 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ua1 h GLU 731 CO -0.03 0.52 -0.06 0.00 -1.00 0.00 0.00 179.01 178.44 1ua1 h ALA 732 N 1.48 -0.17 -0.37 3.43 0.00 -0.65 -2.53 119.26 120.44 1ua1 h ALA 732 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ua1 h ALA 732 Cb 0.98 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ua1 h ALA 732 CO 0.07 -0.44 0.28 0.00 0.00 0.00 0.00 179.25 179.16 1ua1 h ALA 733 N 0.32 2.30 -0.16 0.00 0.00 -1.35 0.11 119.26 120.47 1ua1 h ALA 733 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ua1 h ALA 733 Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ua1 h ALA 733 CO 0.03 -0.47 -0.40 0.93 0.00 0.00 0.00 179.25 179.34 1ua1 h GLU 734 N 0.00 0.37 -0.22 0.00 5.08 -1.31 -1.60 114.58 116.90 1ua1 h GLU 734 Ca 0.17 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1ua1 h GLU 734 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1ua1 h GLU 734 CO -0.00 0.71 -0.08 0.74 -1.00 0.00 0.00 179.01 179.38 1ua1 h PHE 735 N 0.31 0.50 -0.95 4.33 0.05 -0.40 -2.66 116.94 118.11 1ua1 h PHE 735 Ca 0.03 -0.12 0.02 0.00 3.82 0.00 0.00 57.97 61.72 1ua1 h PHE 735 Cb 0.84 -0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.62 1ua1 h PHE 735 CO 0.02 0.70 0.63 0.82 -0.18 0.00 0.00 178.31 180.30 1ua1 h ILE 736 N 0.15 1.21 -0.68 -0.55 2.04 -1.31 -1.23 117.51 117.13 1ua1 h ILE 736 Ca 0.05 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ua1 h ILE 736 Cb 0.56 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1ua1 h ILE 736 CO 0.03 0.23 0.42 -0.08 0.00 0.00 0.00 178.15 178.75 1ua1 h GLU 737 N 1.25 0.92 -0.49 2.37 4.81 -1.16 -1.27 114.58 121.02 1ua1 h GLU 737 Ca 0.36 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1ua1 h GLU 737 Cb -0.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1ua1 h GLU 737 CO -0.10 0.65 -0.06 0.00 -0.73 0.00 0.00 179.01 178.76 1ua1 h ARG 738 N 0.93 0.86 -0.45 1.92 2.47 -1.03 -2.69 114.38 116.39 1ua1 h ARG 738 Ca 0.25 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1ua1 h ARG 738 Cb -0.05 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 1ua1 h ARG 738 CO -0.05 0.90 0.26 -0.92 0.56 0.00 0.00 179.97 180.72 1ua1 h TYR 739 N 0.78 0.61 -0.10 3.04 5.03 -0.57 -2.41 116.97 123.35 1ua1 h TYR 739 Ca 0.14 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1ua1 h TYR 739 Cb 0.56 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 1ua1 h TYR 739 CO 0.03 0.44 -0.11 0.74 -1.32 0.00 0.00 178.16 177.95 1ua1 h PHE 740 N 0.60 0.15 -0.18 -3.82 0.05 -1.09 0.28 116.94 112.93 1ua1 h PHE 740 Ca 0.16 -0.01 -0.11 0.00 3.82 0.00 0.00 57.97 61.83 1ua1 h PHE 740 Cb 0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 37.91 1ua1 h PHE 740 CO -0.03 0.26 -0.35 0.93 -0.18 0.00 0.00 178.31 178.95 1ua1 h GLU 741 N 0.15 0.38 0.00 1.51 5.08 -1.11 -0.74 114.58 119.84 1ua1 h GLU 741 Ca 0.03 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 1ua1 h GLU 741 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1ua1 h GLU 741 CO 0.02 0.69 -1.05 0.77 -1.00 0.00 0.00 179.01 178.43 1ua1 h SER 742 N 0.33 0.00 -2.13 1.42 0.02 -0.85 -3.38 113.55 108.95 1ua1 h SER 742 Ca 0.04 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.42 1ua1 h SER 742 Cb 0.77 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.91 1ua1 h SER 742 CO 0.06 0.77 -0.82 0.49 -1.14 0.00 0.00 176.83 176.19 1ua1 n PHE 743 N -3.17 2.21 0.28 3.45 3.72 0.90 -4.78 117.46 120.07 1ua1 n PHE 743 Ca -0.04 -3.92 0.15 0.00 -0.05 0.00 0.00 57.45 53.59 1ua1 n PHE 743 Cb 0.88 -0.47 0.90 0.00 -0.94 0.00 0.00 39.48 39.84 1ua1 n PHE 743 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ua1 h PRO 744 N 3.72 0.00 -0.35 -1.08 0.13 -1.33 -1.73 132.00 131.37 1ua1 h PRO 744 Ca 0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1ua1 h PRO 744 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1ua1 h PRO 744 CO 0.69 0.00 -0.14 0.78 -0.23 0.00 0.00 178.00 179.10 1ua1 h GLY 745 N 0.00 0.77 1.16 1.56 0.00 -1.88 -1.01 103.07 103.67 1ua1 h GLY 745 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1ua1 h GLY 745 CO -0.00 0.61 0.33 -2.08 0.00 0.00 0.00 176.54 175.41 1ua1 h VAL 746 N 0.49 1.24 0.23 4.60 2.07 -1.59 -0.72 116.25 122.56 1ua1 h VAL 746 Ca 0.08 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1ua1 h VAL 746 Cb 0.67 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ua1 h VAL 746 CO 0.05 0.29 -0.11 0.50 0.02 0.00 0.00 177.57 178.32 1ua1 h LYS 747 N 1.06 -0.30 -0.75 1.57 3.64 -1.18 -1.16 116.57 119.45 1ua1 h LYS 747 Ca 0.25 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1ua1 h LYS 747 Cb 0.14 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1ua1 h LYS 747 CO -0.03 -0.18 0.45 -0.09 -2.27 0.00 0.00 179.45 177.34 1ua1 h ARG 748 N -0.34 0.81 -0.43 1.90 2.43 -0.88 -1.36 114.38 116.50 1ua1 h ARG 748 Ca -0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1ua1 h ARG 748 Cb 0.26 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1ua1 h ARG 748 CO 0.05 0.54 0.26 -0.92 -1.51 0.00 0.00 179.97 178.39 1ua1 h TYR 749 N 0.83 0.49 -0.59 2.20 3.20 -0.90 0.32 116.97 122.52 1ua1 h TYR 749 Ca 0.33 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1ua1 h TYR 749 Cb 0.15 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1ua1 h TYR 749 CO -0.05 0.29 0.33 0.52 -1.64 0.00 0.00 178.16 177.61 1ua1 h MET 750 N 0.53 0.81 -0.22 1.82 2.86 -0.64 0.24 114.93 120.33 1ua1 h MET 750 Ca 0.17 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1ua1 h MET 750 Cb -0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1ua1 h MET 750 CO -0.07 0.61 -0.03 0.93 1.06 0.00 0.00 176.91 179.41 1ua1 h GLU 751 N 0.79 0.41 -0.60 1.72 5.08 -0.90 -2.74 114.58 118.34 1ua1 h GLU 751 Ca 0.21 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ua1 h GLU 751 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ua1 h GLU 751 CO -0.03 0.63 0.07 -0.91 -1.00 0.00 0.00 179.01 177.76 1ua1 h ASN 752 N 0.16 0.97 -0.19 1.42 2.35 -0.12 -2.51 115.58 117.66 1ua1 h ASN 752 Ca 0.06 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.43 1ua1 h ASN 752 Cb 0.46 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ua1 h ASN 752 CO 0.02 1.00 -0.22 -0.29 -1.65 0.00 0.00 177.43 176.29 1ua1 h ILE 753 N 0.91 1.27 -0.59 2.81 6.09 -0.55 0.41 117.51 127.86 1ua1 h ILE 753 Ca 0.18 -1.29 -0.06 0.00 -1.37 0.00 0.00 64.86 62.32 1ua1 h ILE 753 Cb 0.46 1.26 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 1ua1 h ILE 753 CO 0.02 0.42 0.12 0.58 -3.07 0.00 0.00 178.15 176.22 1ua1 h VAL 754 N 0.56 1.25 -0.37 2.19 2.07 -1.40 -0.24 116.25 120.32 1ua1 h VAL 754 Ca 0.08 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1ua1 h VAL 754 Cb 0.69 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ua1 h VAL 754 CO 0.05 0.35 0.11 -0.61 0.02 0.00 0.00 177.57 177.48 1ua1 h GLN 755 N 0.86 0.58 -0.69 1.57 4.15 -1.11 -2.39 115.11 118.08 1ua1 h GLN 755 Ca 0.18 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1ua1 h GLN 755 Cb 0.38 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1ua1 h GLN 755 CO 0.01 0.61 0.37 1.49 -1.93 0.00 0.00 178.83 179.37 1ua1 h GLU 756 N 0.45 0.97 -0.97 1.69 4.81 -0.67 -0.28 114.58 120.58 1ua1 h GLU 756 Ca 0.12 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ua1 h GLU 756 Cb 0.27 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1ua1 h GLU 756 CO -0.00 0.74 0.64 0.00 -0.73 0.00 0.00 179.01 179.66 1ua1 h ALA 757 N 1.18 1.31 -0.31 2.92 0.00 -0.90 0.22 119.26 123.68 1ua1 h ALA 757 Ca 0.24 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ua1 h ALA 757 Cb 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ua1 h ALA 757 CO -0.04 0.64 -0.22 -0.22 0.00 0.00 0.00 179.25 179.41 1ua1 h LYS 758 N 1.31 0.69 0.23 0.00 3.64 -0.95 0.23 116.57 121.72 1ua1 h LYS 758 Ca 0.36 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ua1 h LYS 758 Cb -0.14 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1ua1 h LYS 758 CO -0.08 0.94 -0.11 0.37 -2.27 0.00 0.00 179.45 178.30 1ua1 h GLN 759 N 0.44 -0.29 0.00 1.90 -0.00 -0.43 -3.33 115.11 113.41 1ua1 h GLN 759 Ca 0.06 0.02 -0.21 0.00 -0.00 0.00 0.00 58.65 58.52 1ua1 h GLN 759 Cb 0.77 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.29 1ua1 h GLN 759 CO 0.06 0.05 -1.09 0.87 0.00 0.00 0.00 178.83 178.72 1ua1 h LYS 760 N -0.69 0.00 0.00 1.69 1.57 -0.70 -3.48 116.57 114.96 1ua1 h LYS 760 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ua1 h LYS 760 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ua1 h LYS 760 CO 0.05 0.79 0.00 0.41 -0.57 0.00 0.00 179.45 180.13 1ua1 n GLY 761 N 1.38 0.49 3.77 3.86 0.00 0.80 -5.04 105.19 110.44 1ua1 n GLY 761 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1ua1 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ua1 s TYR 762 N -2.18 -0.15 0.24 1.61 1.13 -1.17 -1.74 117.35 115.08 1ua1 s TYR 762 Ca 0.00 -0.27 0.09 0.00 -1.41 0.00 0.00 57.07 55.49 1ua1 s TYR 762 Cb 0.00 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.43 1ua1 s TYR 762 CO 0.00 -1.16 -0.16 0.14 -2.51 0.00 0.00 175.55 171.86 1ua1 s VAL 763 N -3.91 2.05 0.21 -3.49 -7.23 -0.76 -4.23 120.40 103.03 1ua1 s VAL 763 Ca 0.11 -2.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1ua1 s VAL 763 Cb -0.05 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1ua1 s VAL 763 CO 0.05 -0.49 -0.03 0.42 -0.31 0.00 0.00 175.10 174.74 1ua1 s THR 764 N -2.78 1.09 0.50 5.32 -4.23 -1.26 -2.02 115.64 112.26 1ua1 s THR 764 Ca 0.26 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1ua1 s THR 764 Cb -0.02 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1ua1 s THR 764 CO 0.11 -0.42 0.50 0.42 -0.54 0.00 0.00 174.62 174.69 1ua1 s THR 765 N -3.38 2.18 0.29 3.99 -4.23 -0.56 -4.48 115.64 109.44 1ua1 s THR 765 Ca 0.26 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1ua1 s THR 765 Cb 0.05 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.70 1ua1 s THR 765 CO 0.07 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 175.85 1ua1 h LEU 766 N 0.69 0.68 -2.99 4.79 3.38 -1.89 -0.52 115.31 119.45 1ua1 h LEU 766 Ca -0.37 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ua1 h LEU 766 Cb 1.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ua1 h LEU 766 CO 0.52 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1ua1 n LEU 767 N -4.81 4.68 -0.48 1.67 4.77 -1.26 -4.93 117.00 116.64 1ua1 n LEU 767 Ca 0.21 -2.37 -0.05 0.00 -0.03 0.00 0.00 56.01 53.77 1ua1 n LEU 767 Cb 0.52 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1ua1 n LEU 767 CO 0.21 0.60 -0.06 1.41 -1.33 0.00 0.00 177.39 178.22 1ua1 n HIS 768 N 0.64 -0.13 -2.50 -1.77 8.25 -0.20 -4.72 115.22 114.78 1ua1 n HIS 768 Ca 0.23 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.35 1ua1 n HIS 768 Cb 0.96 -1.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.55 1ua1 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ua1 s ARG 769 N -3.42 3.75 0.10 -0.41 3.52 -1.26 -4.77 118.95 116.46 1ua1 s ARG 769 Ca 0.00 1.37 0.03 0.00 -0.13 0.00 0.00 55.73 57.00 1ua1 s ARG 769 Cb 0.00 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 1ua1 s ARG 769 CO 0.00 -0.48 -0.08 -0.98 -0.81 0.00 0.00 175.30 172.95 1ua1 s ARG 770 N -3.27 0.84 -0.05 5.12 1.70 -1.26 -1.50 118.95 120.54 1ua1 s ARG 770 Ca 0.68 -1.26 -0.02 0.00 -0.47 0.00 0.00 55.73 54.66 1ua1 s ARG 770 Cb -0.17 -0.36 0.03 0.00 -0.57 0.00 0.00 34.95 33.89 1ua1 s ARG 770 CO 0.21 0.03 0.08 0.50 -1.08 0.00 0.00 175.30 175.04 1ua1 s ARG 771 N -3.37 -0.04 0.25 3.89 3.52 -0.86 -4.59 118.95 117.75 1ua1 s ARG 771 Ca 0.09 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 1ua1 s ARG 771 Cb 0.02 -0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 32.91 1ua1 s ARG 771 CO -0.02 -0.30 0.95 0.71 -0.81 0.00 0.00 175.30 175.83 1ua1 s TYR 772 N 2.01 3.94 -0.52 5.12 2.02 -1.26 -1.83 117.35 126.82 1ua1 s TYR 772 Ca 0.02 1.90 0.07 0.00 -0.37 0.00 0.00 57.07 58.68 1ua1 s TYR 772 Cb -0.12 -2.99 0.24 0.00 -0.40 0.00 0.00 41.96 38.69 1ua1 s TYR 772 CO -0.04 0.38 0.62 1.28 -1.57 0.00 0.00 175.55 176.22 1ua1 n LEU 773 N 1.38 1.98 0.30 -1.29 4.77 -0.71 -4.94 117.00 118.48 1ua1 n LEU 773 Ca -0.02 -5.06 0.16 0.00 -0.03 0.00 0.00 56.01 51.06 1ua1 n LEU 773 Cb 0.47 -0.05 0.92 0.00 -2.33 0.00 0.00 43.42 42.43 1ua1 n LEU 773 CO 0.50 2.04 1.11 1.55 -1.33 0.00 0.00 177.39 181.25 1ua1 h PRO 774 N 4.23 0.00 0.00 3.23 0.13 -1.95 -2.08 132.00 135.56 1ua1 h PRO 774 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ua1 h PRO 774 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1ua1 h PRO 774 CO 0.65 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 1ua1 n ASP 775 N -3.71 0.00 0.31 1.44 8.00 -1.26 -3.27 116.55 118.06 1ua1 n ASP 775 Ca -0.03 0.07 0.18 0.00 0.71 0.00 0.00 54.79 55.72 1ua1 n ASP 775 Cb 0.11 -0.33 0.98 0.00 -0.02 0.00 0.00 41.12 41.86 1ua1 n ASP 775 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ua1 h ILE 776 N 0.00 0.30 -0.28 0.53 6.09 -1.66 -1.76 117.51 120.73 1ua1 h ILE 776 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1ua1 h ILE 776 Cb 0.27 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1ua1 h ILE 776 CO 0.00 0.02 0.00 0.35 -3.07 0.00 0.00 178.15 175.45 1ua1 n THR 777 N -3.47 0.43 -1.77 2.19 -2.24 -1.20 -4.95 114.28 103.26 1ua1 n THR 777 Ca -0.03 -0.71 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 1ua1 n THR 777 Cb 0.12 1.03 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1ua1 n THR 777 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ua1 s SER 778 N -1.39 5.27 0.00 3.42 0.15 -0.66 -4.91 113.70 115.58 1ua1 s SER 778 Ca 0.31 2.79 0.23 0.00 0.70 0.00 0.00 55.95 59.98 1ua1 s SER 778 Cb 0.19 -2.64 0.74 0.00 -1.71 0.00 0.00 66.02 62.60 1ua1 s SER 778 CO 0.27 -1.57 1.56 0.54 1.20 0.00 0.00 173.24 175.23 1ua1 n ARG 779 N -1.00 1.84 -3.24 5.44 3.00 -1.26 -4.65 116.66 116.78 1ua1 n ARG 779 Ca 0.10 -1.25 -0.42 0.00 -0.01 0.00 0.00 57.85 56.28 1ua1 n ARG 779 Cb 0.45 -1.43 -0.08 0.00 0.00 0.00 0.00 32.46 31.40 1ua1 n ARG 779 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1ua1 s ASN 780 N -1.67 6.31 0.20 0.55 3.84 -1.26 -4.98 114.94 117.92 1ua1 s ASN 780 Ca 0.34 -0.10 -0.16 0.00 0.21 0.00 0.00 52.86 53.15 1ua1 s ASN 780 Cb 0.19 -2.27 0.18 0.00 -0.55 0.00 0.00 41.25 38.80 1ua1 s ASN 780 CO 0.29 -0.50 1.62 0.15 -2.79 0.00 0.00 177.10 175.86 1ua1 h PHE 781 N 8.51 -0.49 -0.44 0.43 3.57 -1.99 0.21 116.94 126.74 1ua1 h PHE 781 Ca -0.28 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 1ua1 h PHE 781 Cb 1.12 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1ua1 h PHE 781 CO 0.71 -0.30 0.10 -0.97 -2.23 0.00 0.00 178.31 175.63 1ua1 h ASN 782 N -0.07 0.67 -0.57 0.41 -1.24 -1.98 0.88 115.58 113.69 1ua1 h ASN 782 Ca 0.26 -0.24 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 1ua1 h ASN 782 Cb 0.47 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1ua1 h ASN 782 CO -0.61 0.74 0.11 0.58 -1.29 0.00 0.00 177.43 176.96 1ua1 h VAL 783 N 0.57 1.25 -0.41 2.57 2.07 -1.84 -2.46 116.25 118.01 1ua1 h VAL 783 Ca 0.14 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1ua1 h VAL 783 Cb 0.33 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1ua1 h VAL 783 CO 0.00 0.34 -0.10 -0.09 0.02 0.00 0.00 177.57 177.75 1ua1 h ARG 784 N 0.82 0.79 -0.95 1.57 2.43 -0.83 -2.89 114.38 115.32 1ua1 h ARG 784 Ca 0.17 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1ua1 h ARG 784 Cb 0.39 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1ua1 h ARG 784 CO 0.01 0.92 0.62 0.77 -1.51 0.00 0.00 179.97 180.78 1ua1 h SER 785 N 0.60 1.01 -0.36 -3.80 0.02 -0.69 -0.75 113.55 109.59 1ua1 h SER 785 Ca 0.10 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1ua1 h SER 785 Cb 0.63 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1ua1 h SER 785 CO 0.04 0.67 0.13 0.15 -1.14 0.00 0.00 176.83 176.68 1ua1 h PHE 786 N 1.16 0.56 -0.95 3.45 3.04 -1.35 -1.26 116.94 121.59 1ua1 h PHE 786 Ca 0.39 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 1ua1 h PHE 786 Cb 0.08 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.38 1ua1 h PHE 786 CO -0.00 0.53 0.59 0.00 -2.02 0.00 0.00 178.31 177.41 1ua1 h ALA 787 N 0.97 1.26 -0.63 2.41 0.00 -1.19 -1.41 119.26 120.67 1ua1 h ALA 787 Ca 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ua1 h ALA 787 Cb 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ua1 h ALA 787 CO -0.01 0.65 0.19 0.93 0.00 0.00 0.00 179.25 181.02 1ua1 h GLU 788 N 1.30 0.96 -0.46 0.00 5.08 -0.79 -0.72 114.58 119.95 1ua1 h GLU 788 Ca 0.34 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ua1 h GLU 788 Cb -0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1ua1 h GLU 788 CO -0.07 0.83 -0.03 0.00 -1.00 0.00 0.00 179.01 178.74 1ua1 h ARG 789 N 0.93 0.77 -0.07 2.33 3.08 -0.38 -2.51 114.38 118.52 1ua1 h ARG 789 Ca 0.21 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1ua1 h ARG 789 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ua1 h ARG 789 CO -0.01 0.80 -0.53 0.52 -1.07 0.00 0.00 179.97 179.68 1ua1 h MET 790 N 0.71 0.20 -0.66 0.04 2.86 -0.68 0.57 114.93 117.98 1ua1 h MET 790 Ca 0.13 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1ua1 h MET 790 Cb 0.48 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1ua1 h MET 790 CO 0.02 0.69 0.10 0.00 1.06 0.00 0.00 176.91 178.78 1ua1 h ALA 791 N 1.29 0.93 -0.06 6.32 0.00 -0.82 0.67 119.26 127.59 1ua1 h ALA 791 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1ua1 h ALA 791 Cb 1.00 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ua1 h ALA 791 CO 0.08 0.66 -0.46 0.52 0.00 0.00 0.00 179.25 180.05 1ua1 h MET 792 N 1.01 0.41 0.03 0.00 2.07 -1.23 -3.38 114.93 113.85 1ua1 h MET 792 Ca 0.20 -0.37 -0.22 0.00 -2.07 0.00 0.00 59.70 57.24 1ua1 h MET 792 Cb 0.44 0.09 -0.00 0.00 -1.87 0.00 0.00 31.60 30.25 1ua1 h MET 792 CO 0.01 1.01 -0.98 -0.97 1.07 0.00 0.00 176.91 177.05 1ua1 h ASN 793 N -0.06 0.36 -0.63 1.22 -0.73 -0.79 -3.37 115.58 111.58 1ua1 h ASN 793 Ca -0.04 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 57.80 1ua1 h ASN 793 Cb 1.13 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.58 1ua1 h ASN 793 CO 0.09 1.15 0.33 0.74 -0.37 0.00 0.00 177.43 179.38 1ua1 h THR 794 N 0.13 1.20 0.00 -3.57 2.02 -1.03 0.33 112.91 111.99 1ua1 h THR 794 Ca -0.07 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1ua1 h THR 794 Cb 1.64 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1ua1 h THR 794 CO 0.16 0.23 -0.12 -0.65 0.37 0.00 0.00 175.52 175.51 1ua1 h PRO 795 N 0.85 0.00 0.17 6.66 0.11 -1.75 0.55 132.00 138.59 1ua1 h PRO 795 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1ua1 h PRO 795 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1ua1 h PRO 795 CO -0.03 0.12 -0.08 0.82 -0.21 0.00 0.00 178.00 178.61 1ua1 h ILE 796 N 0.00 0.00 -0.58 4.15 2.04 -1.56 -2.50 117.51 119.06 1ua1 h ILE 796 Ca -0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1ua1 h ILE 796 Cb 0.21 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1ua1 h ILE 796 CO 0.02 0.00 0.28 1.56 0.00 0.00 0.00 178.15 180.00 1ua1 h GLN 797 N -0.99 0.83 -0.66 2.37 1.08 -0.92 -2.09 115.11 114.73 1ua1 h GLN 797 Ca -0.02 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 1ua1 h GLN 797 Cb 0.17 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1ua1 h GLN 797 CO 0.04 0.67 0.10 0.78 -0.95 0.00 0.00 178.83 179.46 1ua1 h GLY 798 N 0.78 1.18 1.47 3.46 0.00 0.05 -1.59 103.07 108.43 1ua1 h GLY 798 Ca 0.20 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 1ua1 h GLY 798 CO -0.03 0.74 -0.26 1.76 0.00 0.00 0.00 176.54 178.76 1ua1 h SER 799 N 1.02 0.62 -0.22 0.19 0.02 -1.31 -0.48 113.55 113.39 1ua1 h SER 799 Ca 0.20 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1ua1 h SER 799 Cb 0.45 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ua1 h SER 799 CO 0.01 0.86 -0.10 0.00 -1.14 0.00 0.00 176.83 176.47 1ua1 h ALA 800 N 1.19 1.18 -0.31 3.77 0.00 -1.13 -1.38 119.26 122.58 1ua1 h ALA 800 Ca 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1ua1 h ALA 800 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ua1 h ALA 800 CO 0.06 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1ua1 h ALA 801 N 1.35 0.43 -0.40 0.00 0.00 -0.85 -2.58 119.26 117.21 1ua1 h ALA 801 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ua1 h ALA 801 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ua1 h ALA 801 CO 0.03 0.30 0.16 -0.44 0.00 0.00 0.00 179.25 179.31 1ua1 h ASP 802 N 0.39 0.21 0.19 0.00 3.32 -0.67 -2.11 116.42 117.74 1ua1 h ASP 802 Ca 0.07 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1ua1 h ASP 802 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1ua1 h ASP 802 CO 0.04 0.16 -0.09 0.40 -1.72 0.00 0.00 179.24 178.03 1ua1 h ILE 803 N 0.34 0.85 0.00 0.35 2.04 -1.22 -1.87 117.51 118.00 1ua1 h ILE 803 Ca 0.18 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1ua1 h ILE 803 Cb 0.13 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1ua1 h ILE 803 CO -0.16 0.03 -0.23 -0.29 0.00 0.00 0.00 178.15 177.51 1ua1 h ILE 804 N -0.32 1.16 -0.44 -0.67 2.10 -1.40 -0.32 117.51 117.62 1ua1 h ILE 804 Ca -0.03 -0.78 -0.08 0.00 1.08 0.00 0.00 64.86 65.06 1ua1 h ILE 804 Cb 0.25 1.42 -0.02 0.00 -1.09 0.00 0.00 36.82 37.38 1ua1 h ILE 804 CO 0.04 0.22 -0.03 0.11 -1.08 0.00 0.00 178.15 177.42 1ua1 h LYS 805 N 0.00 0.79 -0.23 2.19 1.57 -1.17 -1.22 116.57 118.51 1ua1 h LYS 805 Ca -0.00 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 1ua1 h LYS 805 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ua1 h LYS 805 CO 0.03 0.87 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.21 1ua1 h LYS 806 N 0.63 0.49 -0.95 3.15 3.64 -0.86 -2.67 116.57 119.99 1ua1 h LYS 806 Ca 0.12 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1ua1 h LYS 806 Cb 0.53 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1ua1 h LYS 806 CO 0.03 0.77 0.57 0.00 -2.27 0.00 0.00 179.45 178.55 1ua1 h ALA 807 N 1.21 1.22 -0.32 5.00 0.00 -0.70 0.64 119.26 126.30 1ua1 h ALA 807 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ua1 h ALA 807 Cb 0.81 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ua1 h ALA 807 CO 0.07 0.67 0.14 0.52 0.00 0.00 0.00 179.25 180.65 1ua1 h MET 808 N 1.31 0.47 -0.03 0.00 2.86 -0.91 0.29 114.93 118.93 1ua1 h MET 808 Ca 0.34 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1ua1 h MET 808 Cb -0.05 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1ua1 h MET 808 CO -0.06 0.46 0.01 0.82 1.06 0.00 0.00 176.91 179.20 1ua1 h ILE 809 N 0.38 1.09 -0.71 -1.22 2.04 -1.16 -1.07 117.51 116.86 1ua1 h ILE 809 Ca 0.11 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ua1 h ILE 809 Cb 0.15 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1ua1 h ILE 809 CO -0.01 0.07 0.45 0.44 0.00 0.00 0.00 178.15 179.10 1ua1 h ASP 810 N -0.07 0.74 -0.29 1.72 3.32 -0.71 -2.30 116.42 118.83 1ua1 h ASP 810 Ca 0.01 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ua1 h ASP 810 Cb 0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1ua1 h ASP 810 CO -0.00 0.51 0.16 0.25 -1.72 0.00 0.00 179.24 178.44 1ua1 h LEU 811 N 0.88 0.36 -1.41 1.55 5.85 -0.22 -1.83 115.31 120.49 1ua1 h LEU 811 Ca 0.28 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1ua1 h LEU 811 Cb 0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1ua1 h LEU 811 CO -0.11 0.34 0.15 0.78 -0.34 0.00 0.00 178.44 179.26 1ua1 h ASN 812 N 0.35 0.49 -0.58 1.25 4.21 -0.94 0.69 115.58 121.05 1ua1 h ASN 812 Ca 0.10 -0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.46 1ua1 h ASN 812 Cb 0.06 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 1ua1 h ASN 812 CO -0.02 0.45 -0.05 0.00 -1.29 0.00 0.00 177.43 176.52 1ua1 h ALA 813 N 1.62 0.81 -0.34 -0.83 0.00 -1.08 -2.05 119.26 117.39 1ua1 h ALA 813 Ca 0.13 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1ua1 h ALA 813 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ua1 h ALA 813 CO -0.01 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.64 1ua1 h ARG 814 N 0.95 0.79 -0.69 0.00 2.47 -0.51 -1.64 114.38 115.76 1ua1 h ARG 814 Ca 0.16 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.47 1ua1 h ARG 814 Cb 0.62 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 1ua1 h ARG 814 CO 0.04 1.02 0.35 -0.07 0.56 0.00 0.00 179.97 181.88 1ua1 h LEU 815 N 0.57 0.86 -0.19 3.04 3.38 -0.80 -1.28 115.31 120.90 1ua1 h LEU 815 Ca 0.06 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ua1 h LEU 815 Cb 0.84 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ua1 h LEU 815 CO 0.07 0.71 -0.18 0.50 0.09 0.00 0.00 178.44 179.64 1ua1 h LYS 816 N 0.97 0.45 -0.92 1.13 3.64 -1.26 -0.91 116.57 119.67 1ua1 h LYS 816 Ca 0.24 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1ua1 h LYS 816 Cb 0.06 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1ua1 h LYS 816 CO -0.04 0.80 0.60 0.93 -2.27 0.00 0.00 179.45 179.48 1ua1 h GLU 817 N 0.11 1.10 -0.00 1.90 5.08 -1.00 -1.03 114.58 120.74 1ua1 h GLU 817 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ua1 h GLU 817 Cb 0.71 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ua1 h GLU 817 CO 0.04 0.73 -0.11 0.39 -1.00 0.00 0.00 179.01 179.06 1ua1 n GLU 818 N -4.45 0.73 -3.76 2.33 -0.58 -0.51 -4.93 120.64 109.46 1ua1 n GLU 818 Ca 0.13 -0.26 -0.28 0.00 -0.42 0.00 0.00 57.16 56.32 1ua1 n GLU 818 Cb 0.12 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1ua1 n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ua1 n ARG 819 N -0.91 -5.45 -2.93 3.49 3.00 -0.39 -4.96 116.66 108.51 1ua1 n ARG 819 Ca 0.15 0.63 -0.35 0.00 -0.01 0.00 0.00 57.85 58.26 1ua1 n ARG 819 Cb 0.28 -5.51 -0.06 0.00 0.00 0.00 0.00 32.46 27.16 1ua1 n ARG 819 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ua1 s LEU 820 N -7.16 4.19 0.09 0.55 1.43 -0.44 -4.95 118.68 112.38 1ua1 s LEU 820 Ca 0.61 1.60 0.27 0.00 -1.03 0.00 0.00 54.13 55.57 1ua1 s LEU 820 Cb -0.30 -4.06 0.84 0.00 0.03 0.00 0.00 46.19 42.70 1ua1 s LEU 820 CO 0.75 -0.14 1.70 0.00 0.23 0.00 0.00 176.35 178.89 1ua1 n GLN 821 N 0.12 0.14 -1.67 1.70 6.02 -1.26 -4.79 117.38 117.63 1ua1 n GLN 821 Ca 0.03 0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.71 1ua1 n GLN 821 Cb 0.52 -1.64 0.03 0.00 1.02 0.00 0.00 30.24 30.17 1ua1 n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ua1 n ALA 822 N -1.66 0.88 -3.15 -1.58 0.00 -1.26 -4.89 120.51 108.85 1ua1 n ALA 822 Ca 0.06 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 1ua1 n ALA 822 Cb 0.39 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 1ua1 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ua1 s HIS 823 N -1.30 -0.17 0.35 0.00 -3.43 -0.91 -5.01 115.29 104.82 1ua1 s HIS 823 Ca 0.67 0.17 -0.28 0.00 -0.80 0.00 0.00 55.06 54.82 1ua1 s HIS 823 Cb -0.48 0.11 -0.10 0.00 -1.43 0.00 0.00 32.58 30.69 1ua1 s HIS 823 CO 0.54 -0.46 1.28 -0.51 -2.00 0.00 0.00 174.74 173.60 1ua1 s LEU 824 N -1.66 4.36 -0.05 5.38 1.43 -1.26 -2.39 118.68 124.49 1ua1 s LEU 824 Ca -0.09 2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1ua1 s LEU 824 Cb -0.03 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 1ua1 s LEU 824 CO 0.01 -0.60 -0.05 0.18 0.23 0.00 0.00 176.35 176.12 1ua1 n LEU 825 N 0.60 1.35 -3.91 1.79 4.77 0.81 -4.60 117.00 117.81 1ua1 n LEU 825 Ca 0.01 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1ua1 n LEU 825 Cb 0.43 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1ua1 n LEU 825 CO 0.57 0.28 -0.11 -0.76 -1.33 0.00 0.00 177.39 176.05 1ua1 s LEU 826 N -5.87 1.42 -0.04 2.23 1.43 -0.71 -4.76 118.68 112.37 1ua1 s LEU 826 Ca -0.06 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1ua1 s LEU 826 Cb 0.02 0.97 0.01 0.00 0.03 0.00 0.00 46.19 47.22 1ua1 s LEU 826 CO 0.09 -0.76 -0.08 -1.58 0.23 0.00 0.00 176.35 174.26 1ua1 s GLN 827 N -3.90 1.08 -0.53 1.70 -0.44 -1.26 -0.59 119.66 115.73 1ua1 s GLN 827 Ca 0.09 -0.24 0.07 0.00 -2.50 0.00 0.00 55.36 52.78 1ua1 s GLN 827 Cb 0.05 -0.99 0.31 0.00 -1.64 0.00 0.00 33.01 30.74 1ua1 s GLN 827 CO -0.08 0.00 0.81 0.28 0.50 0.00 0.00 175.29 176.81 1ua1 n VAL 828 N 3.77 1.83 0.00 1.34 0.31 0.12 -4.87 118.33 120.83 1ua1 n VAL 828 Ca -0.23 -5.13 0.00 0.00 -0.01 0.00 0.00 64.34 58.97 1ua1 n VAL 828 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1ua1 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ua1 n HIS 829 N 0.28 0.00 -0.98 3.52 -0.00 -1.26 -3.51 115.22 113.27 1ua1 n HIS 829 Ca 0.28 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 58.04 1ua1 n HIS 829 Cb 0.47 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.51 1ua1 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ua1 n ASP 830 N 1.85 1.42 -3.81 0.41 5.75 -1.26 -4.79 116.55 116.12 1ua1 n ASP 830 Ca 0.00 -2.28 -0.12 0.00 -0.01 0.00 0.00 54.79 52.38 1ua1 n ASP 830 Cb 0.00 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 1ua1 n ASP 830 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1ua1 s GLU 831 N -1.37 0.66 -0.08 0.11 -1.05 -1.23 -0.66 118.70 115.08 1ua1 s GLU 831 Ca 0.12 -0.42 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 1ua1 s GLU 831 Cb 0.11 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1ua1 s GLU 831 CO 0.01 -0.19 -0.20 -0.51 0.95 0.00 0.00 175.26 175.32 1ua1 s LEU 832 N -1.70 2.33 -0.15 1.83 1.43 0.47 -0.70 118.68 122.18 1ua1 s LEU 832 Ca -0.10 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1ua1 s LEU 832 Cb -0.04 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1ua1 s LEU 832 CO -0.00 0.22 -0.11 -0.63 0.23 0.00 0.00 176.35 176.06 1ua1 s ILE 833 N -0.01 3.13 0.34 -0.59 -1.09 0.25 -1.29 121.20 121.94 1ua1 s ILE 833 Ca -0.07 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1ua1 s ILE 833 Cb -0.15 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 1ua1 s ILE 833 CO 0.05 0.50 0.08 -0.76 -1.23 0.00 0.00 174.94 173.59 1ua1 s LEU 834 N 0.60 2.05 0.03 2.97 1.02 0.10 -0.13 118.68 125.31 1ua1 s LEU 834 Ca -0.07 -1.47 0.01 0.00 0.02 0.00 0.00 54.13 52.62 1ua1 s LEU 834 Cb -0.15 -0.25 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 1ua1 s LEU 834 CO 0.03 -0.72 -0.05 -1.83 0.02 0.00 0.00 176.35 173.80 1ua1 s GLU 835 N -3.86 0.38 0.06 1.70 -1.05 -1.01 -0.34 118.70 114.58 1ua1 s GLU 835 Ca 0.33 -0.63 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 1ua1 s GLU 835 Cb 0.07 -0.05 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1ua1 s GLU 835 CO 0.15 -0.01 0.97 0.00 0.95 0.00 0.00 175.26 177.32 1ua1 s ALA 836 N -1.34 -1.79 0.58 -0.84 0.00 -0.57 -2.14 121.76 115.66 1ua1 s ALA 836 Ca -0.13 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.24 1ua1 s ALA 836 Cb -0.09 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1ua1 s ALA 836 CO -0.00 -0.88 1.13 -2.30 0.00 0.00 0.00 175.76 173.71 1ua1 n PRO 837 N -0.36 1.18 0.25 0.00 -0.02 -1.26 0.10 135.00 134.89 1ua1 n PRO 837 Ca -0.07 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1ua1 n PRO 837 Cb 0.61 -2.33 0.72 0.00 -0.02 0.00 0.00 33.50 32.48 1ua1 n PRO 837 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1ua1 h LYS 838 N 0.83 0.00 0.00 -0.52 2.10 -1.35 -0.89 116.57 116.74 1ua1 h LYS 838 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1ua1 h LYS 838 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1ua1 h LYS 838 CO 0.53 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.37 1ua1 n GLU 839 N -4.34 0.01 0.00 0.07 4.71 -1.26 -2.65 120.64 117.18 1ua1 n GLU 839 Ca -0.02 0.28 0.09 0.00 -0.01 0.00 0.00 57.16 57.50 1ua1 n GLU 839 Cb 0.12 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.08 1ua1 n GLU 839 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ua1 n GLU 840 N -1.49 1.58 -0.04 3.49 1.02 -0.34 -4.65 120.64 120.22 1ua1 n GLU 840 Ca 0.03 -1.14 -0.09 0.00 -0.02 0.00 0.00 57.16 55.95 1ua1 n GLU 840 Cb 0.14 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1ua1 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1ua1 h MET 841 N 2.60 -0.01 -0.84 3.49 2.86 -1.59 -0.65 114.93 120.79 1ua1 h MET 841 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1ua1 h MET 841 Cb 0.68 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1ua1 h MET 841 CO 0.00 -0.01 0.53 0.93 1.06 0.00 0.00 176.91 179.42 1ua1 h GLU 842 N -0.01 0.98 -0.35 1.72 5.08 -1.82 0.00 114.58 120.17 1ua1 h GLU 842 Ca 0.09 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1ua1 h GLU 842 Cb 0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ua1 h GLU 842 CO -0.20 0.65 -0.29 0.00 -1.00 0.00 0.00 179.01 178.17 1ua1 h ARG 843 N 1.01 0.75 -0.28 2.33 3.08 -1.79 -2.95 114.38 116.53 1ua1 h ARG 843 Ca 0.35 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1ua1 h ARG 843 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1ua1 h ARG 843 CO -0.14 0.94 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.47 1ua1 h LEU 844 N 0.64 0.49 -1.89 3.04 3.38 -0.31 -0.71 115.31 119.96 1ua1 h LEU 844 Ca 0.08 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ua1 h LEU 844 Cb 0.81 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ua1 h LEU 844 CO 0.07 0.68 0.29 0.00 0.09 0.00 0.00 178.44 179.57 1ua1 n ARG 846 N -4.45 0.67 0.09 0.00 1.74 -1.00 -4.47 116.66 109.24 1ua1 n ARG 846 Ca 0.07 0.30 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1ua1 n ARG 846 Cb 0.40 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 1ua1 n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ua1 h LEU 847 N -0.33 -0.19 0.09 0.55 5.85 -0.90 -3.14 115.31 117.24 1ua1 h LEU 847 Ca -0.49 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 57.98 1ua1 h LEU 847 Cb 1.79 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1ua1 h LEU 847 CO -0.10 0.17 -0.12 0.58 -0.34 0.00 0.00 178.44 178.64 1ua1 h VAL 848 N -0.58 0.73 -0.65 1.05 2.07 -1.46 -1.46 116.25 115.95 1ua1 h VAL 848 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1ua1 h VAL 848 Cb 0.44 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ua1 h VAL 848 CO 0.04 0.00 0.41 -0.65 0.02 0.00 0.00 177.57 177.39 1ua1 h PRO 849 N -0.24 0.78 -0.13 1.57 0.11 -1.76 -0.98 132.00 131.35 1ua1 h PRO 849 Ca 0.01 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1ua1 h PRO 849 Cb 0.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1ua1 h PRO 849 CO -0.05 0.52 0.05 1.49 -0.21 0.00 0.00 178.00 179.80 1ua1 h GLU 850 N 0.81 0.11 -0.32 1.05 4.57 -1.46 0.32 114.58 119.66 1ua1 h GLU 850 Ca 0.25 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1ua1 h GLU 850 Cb -0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ua1 h GLU 850 CO -0.09 0.07 0.20 0.28 -1.18 0.00 0.00 179.01 178.30 1ua1 h VAL 851 N 0.12 1.07 -0.58 0.32 2.07 -1.03 0.26 116.25 118.47 1ua1 h VAL 851 Ca 0.05 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1ua1 h VAL 851 Cb 0.02 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1ua1 h VAL 851 CO -0.05 0.08 0.03 0.24 0.02 0.00 0.00 177.57 177.89 1ua1 h MET 852 N 0.42 0.98 0.00 1.57 2.86 -0.92 -1.83 114.93 118.01 1ua1 h MET 852 Ca 0.12 -0.28 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 1ua1 h MET 852 Cb -0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1ua1 h MET 852 CO -0.03 0.94 -0.54 0.93 1.06 0.00 0.00 176.91 179.27 1ua1 h GLU 853 N 0.90 0.00 -0.11 1.72 5.08 -0.07 -3.21 114.58 118.90 1ua1 h GLU 853 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ua1 h GLU 853 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ua1 h GLU 853 CO 0.02 0.54 0.00 1.04 -1.00 0.00 0.00 179.01 179.61 1ua1 n GLN 854 N -3.70 2.22 -0.31 2.33 1.13 0.05 -4.48 117.38 114.63 1ua1 n GLN 854 Ca -0.01 -1.79 0.14 0.00 -1.94 0.00 0.00 57.00 53.40 1ua1 n GLN 854 Cb 0.58 -1.47 0.31 0.00 0.11 0.00 0.00 30.24 29.78 1ua1 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ua1 h ALA 855 N 4.57 1.46 -2.36 -1.58 0.00 -1.33 -3.42 119.26 116.60 1ua1 h ALA 855 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 1ua1 h ALA 855 Cb 0.88 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1ua1 h ALA 855 CO 0.00 -0.35 -0.66 0.08 0.00 0.00 0.00 179.25 178.33 1ua1 s VAL 856 N -5.88 0.31 -0.23 0.00 1.01 -1.26 -4.90 120.40 109.45 1ua1 s VAL 856 Ca -0.11 -1.92 -0.00 0.00 0.00 0.00 0.00 61.98 59.94 1ua1 s VAL 856 Cb 0.25 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1ua1 s VAL 856 CO 0.78 -0.52 -0.10 -0.89 0.00 0.00 0.00 175.10 174.36 1ua1 s THR 857 N -3.90 2.55 0.47 3.92 2.01 -1.26 -4.98 115.64 114.45 1ua1 s THR 857 Ca 0.22 -1.12 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1ua1 s THR 857 Cb 0.07 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 1ua1 s THR 857 CO 0.01 0.24 0.34 -0.76 -0.69 0.00 0.00 174.62 173.76 1ua1 s LEU 858 N 1.27 3.02 0.02 4.42 1.43 -1.26 -4.99 118.68 122.59 1ua1 s LEU 858 Ca -0.00 -1.05 0.14 0.00 -1.03 0.00 0.00 54.13 52.19 1ua1 s LEU 858 Cb -0.16 -1.52 0.62 0.00 0.03 0.00 0.00 46.19 45.15 1ua1 s LEU 858 CO -0.07 -0.83 1.46 0.54 0.23 0.00 0.00 176.35 177.68 1ua1 n ARG 859 N -1.57 0.01 -4.24 1.70 1.74 -1.26 -4.65 116.66 108.38 1ua1 n ARG 859 Ca 0.00 0.27 -0.16 0.00 -0.77 0.00 0.00 57.85 57.20 1ua1 n ARG 859 Cb 0.64 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 1ua1 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ua1 s VAL 860 N -3.02 1.24 0.76 1.55 -7.23 -1.26 -5.03 120.40 107.41 1ua1 s VAL 860 Ca 0.06 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 1ua1 s VAL 860 Cb 0.09 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.41 1ua1 s VAL 860 CO 0.26 -0.58 1.09 -2.84 -0.31 0.00 0.00 175.10 172.72 1ua1 s PRO 861 N -3.20 2.31 -0.07 4.82 0.02 -1.26 -5.04 135.00 132.58 1ua1 s PRO 861 Ca 0.13 1.18 -0.00 0.00 0.02 0.00 0.00 61.00 62.33 1ua1 s PRO 861 Cb -0.01 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 1ua1 s PRO 861 CO 0.02 -1.60 -0.04 -0.51 -0.33 0.00 0.00 177.00 174.54 1ua1 s LEU 862 N -5.83 3.34 -0.05 -5.54 1.43 -1.26 -5.01 118.68 105.76 1ua1 s LEU 862 Ca 0.62 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1ua1 s LEU 862 Cb -0.17 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1ua1 s LEU 862 CO 0.55 0.37 -0.17 -0.75 0.23 0.00 0.00 176.35 176.57 1ua1 s LYS 863 N -0.86 1.92 -0.10 1.70 2.20 -1.26 -4.83 119.74 118.51 1ua1 s LYS 863 Ca 0.13 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1ua1 s LYS 863 Cb -0.11 -1.62 0.01 0.00 -1.51 0.00 0.00 37.83 34.60 1ua1 s LYS 863 CO 0.02 0.21 -0.16 0.08 -0.36 0.00 0.00 175.35 175.14 1ua1 s VAL 864 N 0.16 1.53 0.26 4.02 1.01 -1.26 -0.22 120.40 125.90 1ua1 s VAL 864 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1ua1 s VAL 864 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1ua1 s VAL 864 CO 0.03 0.44 0.40 -1.81 0.00 0.00 0.00 175.10 174.17 1ua1 s ASP 865 N 0.84 6.31 0.03 3.32 1.01 0.23 -4.91 116.67 123.50 1ua1 s ASP 865 Ca -0.10 0.16 -0.18 0.00 0.71 0.00 0.00 52.55 53.15 1ua1 s ASP 865 Cb -0.15 -1.90 0.03 0.00 1.01 0.00 0.00 42.92 41.91 1ua1 s ASP 865 CO 0.01 -0.12 0.39 -0.72 0.21 0.00 0.00 175.17 174.94 1ua1 s TYR 866 N -2.06 -0.25 0.14 4.23 -0.85 -1.26 -0.93 117.35 116.37 1ua1 s TYR 866 Ca 0.35 0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 57.00 1ua1 s TYR 866 Cb -0.09 0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.46 1ua1 s TYR 866 CO 0.31 -0.53 0.40 -1.01 -1.52 0.00 0.00 175.55 173.19 1ua1 s HIS 867 N -2.20 -0.11 0.04 -3.49 0.09 -0.40 -5.01 115.29 104.19 1ua1 s HIS 867 Ca -0.07 -0.22 -0.19 0.00 -0.00 0.00 0.00 55.06 54.57 1ua1 s HIS 867 Cb -0.02 0.23 0.04 0.00 -0.00 0.00 0.00 32.58 32.84 1ua1 s HIS 867 CO -0.01 -0.73 0.44 1.52 -0.00 0.00 0.00 174.74 175.97 1ua1 s TYR 868 N -3.83 -0.32 0.07 1.40 -0.85 -1.26 -0.59 117.35 111.96 1ua1 s TYR 868 Ca 0.05 0.33 -0.11 0.00 -0.52 0.00 0.00 57.07 56.82 1ua1 s TYR 868 Cb 0.02 0.25 0.04 0.00 0.38 0.00 0.00 41.96 42.64 1ua1 s TYR 868 CO -0.09 -0.58 0.53 0.41 -1.52 0.00 0.00 175.55 174.30 1ua1 n GLY 869 N 0.55 0.84 0.22 5.49 0.00 -0.41 -4.47 105.19 107.41 1ua1 n GLY 869 Ca -0.19 -1.01 0.15 0.00 0.00 0.00 0.00 46.02 44.97 1ua1 n GLY 869 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ua1 h SER 870 N 0.96 0.00 -5.50 1.61 4.64 -1.89 -0.32 113.55 113.06 1ua1 h SER 870 Ca -0.13 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 1ua1 h SER 870 Cb 0.58 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.53 1ua1 h SER 870 CO 0.17 0.00 -0.57 0.42 -0.87 0.00 0.00 176.83 175.98 1ua1 s THR 871 N -3.45 0.03 0.22 2.95 -4.23 -1.26 -4.23 115.64 105.67 1ua1 s THR 871 Ca 0.04 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1ua1 s THR 871 Cb 0.09 -2.32 0.18 0.00 1.34 0.00 0.00 72.50 71.79 1ua1 s THR 871 CO 0.54 -0.14 1.88 -0.25 -0.54 0.00 0.00 174.62 176.11 1ua1 h TRP 872 N 2.65 0.99 -0.90 3.99 7.01 -1.16 -1.32 115.95 127.22 1ua1 h TRP 872 Ca -0.35 0.02 0.07 0.00 2.11 0.00 0.00 58.89 60.75 1ua1 h TRP 872 Cb 1.24 -0.33 -0.06 0.00 -2.10 0.00 0.00 29.16 27.90 1ua1 h TRP 872 CO 0.38 0.61 0.58 -0.92 -2.79 0.00 0.00 178.44 176.30 1ua1 h TYR 873 N 1.06 1.02 0.00 2.65 5.03 -1.70 -1.85 116.97 123.17 1ua1 h TYR 873 Ca 0.31 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.61 1ua1 h TYR 873 Cb -0.07 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 37.87 1ua1 h TYR 873 CO -0.02 0.51 -0.17 -0.44 -1.32 0.00 0.00 178.16 176.72 1ua1 h ASP 874 N 0.98 0.00 0.00 -2.11 3.32 -1.58 -3.20 116.42 113.84 1ua1 h ASP 874 Ca 0.39 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 1ua1 h ASP 874 Cb 0.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1ua1 h ASP 874 CO -0.15 0.17 -0.17 0.00 -1.72 0.00 0.00 179.24 177.37 1ua1 n ALA 875 N -2.16 4.89 0.00 3.45 0.00 -0.70 -4.30 120.51 121.69 1ua1 n ALA 875 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1ua1 n ALA 875 Cb 0.49 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1ua1 n ALA 875 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13