#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iuu n PRO 316 N 0.00 0.91 -2.84 1.96 -0.04 -1.26 -4.97 135.00 128.75 2iuu n PRO 316 Ca 0.00 0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 63.38 2iuu n PRO 316 Cb 0.00 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 2iuu n PRO 316 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2iuu s PRO 317 N -1.25 4.74 0.00 0.54 0.04 -1.26 -4.93 135.00 132.88 2iuu s PRO 317 Ca 0.62 1.35 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2iuu s PRO 317 Cb -0.79 -3.26 0.24 0.00 0.04 0.00 0.00 34.50 30.73 2iuu s PRO 317 CO 0.58 0.53 0.83 1.28 0.04 0.00 0.00 177.00 180.26 2iuu n LEU 318 N 1.50 0.00 0.25 -3.56 4.77 -1.26 -1.54 117.00 117.16 2iuu n LEU 318 Ca -0.03 0.11 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 2iuu n LEU 318 Cb 0.48 -0.11 0.67 0.00 -2.33 0.00 0.00 43.42 42.12 2iuu n LEU 318 CO 0.48 -0.10 0.98 0.28 -1.33 0.00 0.00 177.39 177.70 2iuu h SER 319 N 0.00 0.00 0.80 -1.43 0.02 -2.01 -2.71 113.55 108.22 2iuu h SER 319 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuu h SER 319 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2iuu h SER 319 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2iuu n LEU 320 N -2.94 0.27 -4.79 5.07 4.77 -0.59 -4.79 117.00 113.99 2iuu n LEU 320 Ca 0.01 0.55 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 2iuu n LEU 320 Cb 0.29 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2iuu n LEU 320 CO 0.26 -0.26 0.23 -0.76 -1.33 0.00 0.00 177.39 175.53 2iuu s LEU 321 N -3.55 4.45 0.53 2.23 1.43 -1.03 -4.79 118.68 117.95 2iuu s LEU 321 Ca 0.08 1.11 -0.21 0.00 -1.03 0.00 0.00 54.13 54.08 2iuu s LEU 321 Cb 0.12 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 2iuu s LEU 321 CO 0.40 0.20 1.12 0.47 0.23 0.00 0.00 176.35 178.77 2iuu n ASP 322 N 2.30 1.62 -4.82 2.29 8.00 -1.26 -4.93 116.55 119.75 2iuu n ASP 322 Ca -0.10 0.93 -0.32 0.00 0.71 0.00 0.00 54.79 56.02 2iuu n ASP 322 Cb 0.51 -1.45 0.03 0.00 -0.02 0.00 0.00 41.12 40.19 2iuu n ASP 322 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2iuu s PRO 323 N -2.58 3.18 -0.13 -0.24 0.02 -1.26 -4.44 135.00 129.55 2iuu s PRO 323 Ca 0.70 1.04 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 2iuu s PRO 323 Cb -0.45 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.00 2iuu s PRO 323 CO 0.51 -0.91 1.76 0.00 -0.33 0.00 0.00 177.00 178.02 2iuu s ALA 324 N -2.80 3.36 0.70 -1.55 0.00 -1.26 -4.96 121.76 115.25 2iuu s ALA 324 Ca 0.60 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 2iuu s ALA 324 Cb -0.14 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.15 2iuu s ALA 324 CO 0.47 -1.82 1.22 -1.21 0.00 0.00 0.00 175.76 174.41 2iuu s GLU 325 N 4.64 2.32 -0.50 0.00 2.02 -1.26 -4.80 118.70 121.12 2iuu s GLU 325 Ca 0.78 1.80 -0.35 0.00 0.02 0.00 0.00 54.97 57.22 2iuu s GLU 325 Cb -0.31 -1.85 -0.14 0.00 0.10 0.00 0.00 34.13 31.93 2iuu s GLU 325 CO 0.32 -1.70 2.30 0.28 0.02 0.00 0.00 175.26 176.48 2iuu n VAL 326 N -2.45 0.09 -1.87 2.63 0.31 -1.26 -4.81 118.33 110.96 2iuu n VAL 326 Ca 0.14 -0.25 -0.34 0.00 -0.01 0.00 0.00 64.34 63.88 2iuu n VAL 326 Cb 0.50 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2iuu n VAL 326 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2iuu n LYS 327 N 8.26 1.74 -2.17 5.55 2.85 -1.26 -4.83 118.16 128.30 2iuu n LYS 327 Ca 0.47 -2.39 -0.42 0.00 -1.05 0.00 0.00 58.31 54.92 2iuu n LYS 327 Cb 0.20 -3.50 -0.00 0.00 -0.65 0.00 0.00 35.03 31.08 2iuu n LYS 327 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2iuu n GLN 328 N 7.92 3.00 0.00 -1.58 7.27 -1.26 -4.81 117.38 127.92 2iuu n GLN 328 Ca 0.47 -2.94 0.00 0.00 0.07 0.00 0.00 57.00 54.59 2iuu n GLN 328 Cb 0.45 -3.40 0.00 0.00 2.41 0.00 0.00 30.24 29.70 2iuu n GLN 328 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2iuu n LYS 329 N 7.35 0.09 -2.16 3.69 0.00 -1.26 -5.04 118.16 120.83 2iuu n LYS 329 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 2iuu n LYS 329 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.46 2iuu n LYS 329 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2iuu n SER 330 N 0.00 -8.73 -4.14 -5.58 3.41 -1.26 -4.99 113.62 92.33 2iuu n SER 330 Ca 0.00 1.52 -0.34 0.00 -0.26 0.00 0.00 58.87 59.79 2iuu n SER 330 Cb 0.00 -5.00 -0.14 0.00 -0.26 0.00 0.00 64.21 58.81 2iuu n SER 330 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2iuu s TYR 331 N -0.52 3.31 0.18 7.33 1.51 -1.26 -5.08 117.35 122.82 2iuu s TYR 331 Ca 0.00 -2.06 -0.30 0.00 -1.01 0.00 0.00 57.07 53.71 2iuu s TYR 331 Cb 0.00 -2.17 -0.17 0.00 -0.11 0.00 0.00 41.96 39.51 2iuu s TYR 331 CO 0.00 -0.84 0.68 -1.13 -1.11 0.00 0.00 175.55 173.15 2iuu n SER 332 N 4.56 -0.70 -0.27 2.29 3.41 -1.26 -4.55 113.62 117.11 2iuu n SER 332 Ca -0.12 1.14 0.33 0.00 -0.26 0.00 0.00 58.87 59.96 2iuu n SER 332 Cb 0.43 -0.99 0.71 0.00 -0.26 0.00 0.00 64.21 64.10 2iuu n SER 332 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2iuu h PRO 333 N 1.50 0.00 -0.07 4.33 0.11 -1.99 0.56 132.00 136.44 2iuu h PRO 333 Ca -0.33 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 2iuu h PRO 333 Cb 1.42 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.55 2iuu h PRO 333 CO 0.59 0.00 -0.67 1.05 -0.21 0.00 0.00 178.00 178.77 2iuu h GLU 334 N 0.00 0.57 0.28 1.05 4.11 -1.98 -2.11 114.58 116.50 2iuu h GLU 334 Ca 0.52 -0.52 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2iuu h GLU 334 Cb 2.30 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.67 2iuu h GLU 334 CO -0.01 1.15 -0.18 0.77 0.07 0.00 0.00 179.01 180.81 2iuu h SER 335 N 0.18 -0.45 -0.98 3.06 0.02 -0.20 0.99 113.55 116.16 2iuu h SER 335 Ca -0.06 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2iuu h SER 335 Cb 1.33 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.94 2iuu h SER 335 CO 0.13 -0.29 0.64 -0.07 -1.14 0.00 0.00 176.83 176.10 2iuu h LEU 336 N -0.45 1.00 -1.09 5.07 3.38 -1.46 -0.39 115.31 121.37 2iuu h LEU 336 Ca -0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2iuu h LEU 336 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2iuu h LEU 336 CO 0.02 0.62 -0.42 -0.08 0.09 0.00 0.00 178.44 178.67 2iuu h GLU 337 N 1.12 0.06 0.02 1.13 4.81 -0.85 -1.56 114.58 119.32 2iuu h GLU 337 Ca 0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2iuu h GLU 337 Cb 0.22 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2iuu h GLU 337 CO -0.18 0.48 -0.01 0.00 -0.73 0.00 0.00 179.01 178.57 2iuu h ALA 338 N 1.52 -0.02 -0.76 2.92 0.00 0.79 -2.61 119.26 121.10 2iuu h ALA 338 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2iuu h ALA 338 Cb 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2iuu h ALA 338 CO 0.06 -0.30 0.50 1.98 0.00 0.00 0.00 179.25 181.49 2iuu h MET 339 N -0.45 0.89 -0.40 0.00 1.85 -1.15 -0.70 114.93 114.98 2iuu h MET 339 Ca -0.00 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2iuu h MET 339 Cb 0.43 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 2iuu h MET 339 CO 0.00 0.59 0.20 0.77 -0.40 0.00 0.00 176.91 178.07 2iuu h SER 340 N 0.92 0.30 -0.24 1.39 0.02 -1.14 0.12 113.55 114.92 2iuu h SER 340 Ca 0.31 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.14 2iuu h SER 340 Cb 0.07 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2iuu h SER 340 CO -0.09 0.22 -0.31 0.03 -1.14 0.00 0.00 176.83 175.54 2iuu h ARG 341 N 0.41 0.74 -0.16 3.45 -0.00 -0.97 -2.19 114.38 115.67 2iuu h ARG 341 Ca 0.17 -0.34 0.03 0.00 -0.50 0.00 0.00 59.98 59.33 2iuu h ARG 341 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 2iuu h ARG 341 CO -0.11 0.95 0.00 1.25 0.00 0.00 0.00 179.97 182.06 2iuu h LEU 342 N 0.63 -0.06 -0.08 3.04 6.46 -0.42 0.15 115.31 125.03 2iuu h LEU 342 Ca 0.07 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2iuu h LEU 342 Cb 0.83 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.77 2iuu h LEU 342 CO 0.07 -0.01 -0.27 0.25 -0.62 0.00 0.00 178.44 177.87 2iuu h LEU 343 N 0.06 -0.82 -0.31 2.25 6.46 -0.60 0.12 115.31 122.46 2iuu h LEU 343 Ca 0.07 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 2iuu h LEU 343 Cb 0.09 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 2iuu h LEU 343 CO -0.12 -0.32 -0.13 -0.33 -0.62 0.00 0.00 178.44 176.91 2iuu h GLU 344 N -0.37 -0.08 0.02 1.25 5.08 -0.91 -1.13 114.58 118.45 2iuu h GLU 344 Ca 0.09 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2iuu h GLU 344 Cb 0.49 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2iuu h GLU 344 CO -0.29 -0.05 -0.16 0.82 -1.00 0.00 0.00 179.01 178.33 2iuu h ILE 345 N -0.08 0.62 -0.54 3.13 1.08 0.15 -0.79 117.51 121.07 2iuu h ILE 345 Ca 0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 2iuu h ILE 345 Cb 0.32 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2iuu h ILE 345 CO -0.37 0.00 0.35 0.11 -0.69 0.00 0.00 178.15 177.55 2iuu h LYS 346 N -0.27 0.68 -0.55 2.37 1.79 -0.47 0.21 116.57 120.34 2iuu h LYS 346 Ca 0.04 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 2iuu h LYS 346 Cb 0.33 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 2iuu h LYS 346 CO -0.14 0.45 0.14 -0.07 -1.08 0.00 0.00 179.45 178.76 2iuu h LEU 347 N 0.70 0.78 -0.67 2.94 3.38 -1.08 -2.01 115.31 119.34 2iuu h LEU 347 Ca 0.21 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2iuu h LEU 347 Cb -0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2iuu h LEU 347 CO -0.06 0.75 0.09 0.50 0.09 0.00 0.00 178.44 179.81 2iuu h LYS 348 N 0.81 1.12 -0.71 1.13 3.11 -0.27 -2.31 116.57 119.45 2iuu h LYS 348 Ca 0.18 -0.31 0.05 0.00 -2.81 0.00 0.00 60.65 57.76 2iuu h LYS 348 Cb 0.28 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 2iuu h LYS 348 CO -0.00 1.03 0.47 0.93 -2.81 0.00 0.00 179.45 179.06 2iuu h GLU 349 N 1.04 0.78 0.00 1.90 5.08 0.10 -3.41 114.58 120.07 2iuu h GLU 349 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2iuu h GLU 349 Cb 0.47 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2iuu h GLU 349 CO 0.02 0.52 0.00 1.19 -1.00 0.00 0.00 179.01 179.73 2iuu n PHE 350 N -4.47 -2.27 0.14 4.33 3.01 -0.88 -5.00 117.46 112.32 2iuu n PHE 350 Ca 0.10 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.42 2iuu n PHE 350 Cb 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 2iuu n PHE 350 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2iuu h GLY 351 N 0.00 -0.42 -3.74 1.37 0.00 -1.79 -3.46 103.07 95.02 2iuu h GLY 351 Ca 0.00 0.23 -0.51 0.00 0.00 0.00 0.00 47.33 47.04 2iuu h GLY 351 CO 0.00 -0.19 0.57 -1.34 0.00 0.00 0.00 176.54 175.58 2iuu s VAL 352 N -6.10 3.01 -0.24 4.60 -7.23 -1.18 -4.87 120.40 108.40 2iuu s VAL 352 Ca -0.15 0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 60.97 2iuu s VAL 352 Cb 0.07 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 2iuu s VAL 352 CO 0.65 0.22 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.94 2iuu s GLU 353 N -1.77 3.35 0.24 4.82 2.12 -1.26 -2.00 118.70 124.20 2iuu s GLU 353 Ca 0.49 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 55.12 2iuu s GLU 353 Cb -0.36 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 2iuu s GLU 353 CO 0.47 -0.24 0.29 0.54 -0.54 0.00 0.00 175.26 175.79 2iuu s VAL 354 N 1.49 0.00 -0.02 3.70 0.11 -1.26 -1.83 120.40 122.59 2iuu s VAL 354 Ca 0.05 -1.76 -0.01 0.00 -2.93 0.00 0.00 61.98 57.33 2iuu s VAL 354 Cb -0.15 -2.41 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 2iuu s VAL 354 CO -0.02 0.00 0.05 -0.94 -3.33 0.00 0.00 175.10 170.86 2iuu s SER 355 N -3.13 -0.02 0.22 3.54 1.04 -1.01 -4.81 113.70 109.52 2iuu s SER 355 Ca 0.33 0.10 -0.31 0.00 0.48 0.00 0.00 55.95 56.54 2iuu s SER 355 Cb 0.03 0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.10 2iuu s SER 355 CO 0.13 -0.06 1.56 -0.69 0.98 0.00 0.00 173.24 175.16 2iuu s VAL 356 N 0.42 2.43 -0.17 5.02 1.01 -1.26 0.04 120.40 127.88 2iuu s VAL 356 Ca -0.03 0.33 0.17 0.00 0.00 0.00 0.00 61.98 62.45 2iuu s VAL 356 Cb -0.05 -3.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.88 2iuu s VAL 356 CO -0.01 0.04 0.09 -0.67 0.00 0.00 0.00 175.10 174.55 2iuu n ASP 357 N 3.18 0.39 -3.60 3.32 2.03 0.19 -4.83 116.55 117.24 2iuu n ASP 357 Ca 0.11 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 2iuu n ASP 357 Cb 0.38 1.03 -0.04 0.00 -0.72 0.00 0.00 41.12 41.77 2iuu n ASP 357 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2iuu s SER 358 N -5.23 -0.20 -0.04 1.67 1.04 -0.99 -5.00 113.70 104.95 2iuu s SER 358 Ca -0.09 0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.54 2iuu s SER 358 Cb 0.06 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2iuu s SER 358 CO 0.77 -0.23 -0.21 -0.69 0.98 0.00 0.00 173.24 173.86 2iuu s VAL 359 N -1.62 1.71 -0.36 5.02 1.01 -1.26 -1.23 120.40 123.68 2iuu s VAL 359 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2iuu s VAL 359 Cb -0.01 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 35.04 2iuu s VAL 359 CO -0.04 0.48 0.15 -1.00 0.00 0.00 0.00 175.10 174.69 2iuu s HIS 360 N -0.18 1.85 0.62 5.22 3.76 -0.01 -5.01 115.29 121.55 2iuu s HIS 360 Ca -0.01 -2.02 -0.13 0.00 -0.15 0.00 0.00 55.06 52.75 2iuu s HIS 360 Cb -0.11 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2iuu s HIS 360 CO 0.02 -0.85 1.04 -1.25 -0.85 0.00 0.00 174.74 172.85 2iuu s PRO 361 N 1.14 3.34 0.20 8.40 0.04 -1.26 -1.31 135.00 145.54 2iuu s PRO 361 Ca 0.13 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2iuu s PRO 361 Cb -0.20 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2iuu s PRO 361 CO -0.15 -0.78 0.29 0.41 0.04 0.00 0.00 177.00 176.82 2iuu n GLY 362 N -1.76 2.40 0.23 0.56 0.00 -0.61 -4.76 105.19 101.25 2iuu n GLY 362 Ca 0.07 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 2iuu n GLY 362 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iuu h PRO 363 N 0.00 0.75 0.00 1.61 0.11 -1.88 -3.38 132.00 129.21 2iuu h PRO 363 Ca -0.15 -0.10 -0.21 0.00 0.11 0.00 0.00 66.00 65.64 2iuu h PRO 363 Cb 0.66 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 2iuu h PRO 363 CO 0.21 0.60 -1.81 0.28 -0.21 0.00 0.00 178.00 177.07 2iuu n VAL 364 N -4.61 0.81 -4.39 3.15 0.31 -1.26 -1.70 118.33 110.64 2iuu n VAL 364 Ca 0.02 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 63.84 2iuu n VAL 364 Cb 0.10 -1.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 2iuu n VAL 364 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2iuu s ILE 365 N -2.28 0.52 -0.07 2.52 -0.00 -1.26 -1.45 121.20 119.18 2iuu s ILE 365 Ca -0.19 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.48 2iuu s ILE 365 Cb 0.05 -2.52 0.01 0.00 -0.00 0.00 0.00 42.46 40.01 2iuu s ILE 365 CO 0.33 0.00 -0.12 -0.89 -0.00 0.00 0.00 174.94 174.26 2iuu s THR 366 N -3.48 1.12 -0.17 8.37 2.01 -0.04 -1.58 115.64 121.88 2iuu s THR 366 Ca 0.33 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 2iuu s THR 366 Cb 0.05 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2iuu s THR 366 CO 0.16 0.36 0.32 -0.60 -0.69 0.00 0.00 174.62 174.17 2iuu s ARG 367 N 0.76 4.24 -0.34 4.92 3.52 -0.43 -1.23 118.95 130.38 2iuu s ARG 367 Ca -0.13 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 2iuu s ARG 367 Cb -0.15 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2iuu s ARG 367 CO 0.03 0.16 0.10 -0.06 -0.81 0.00 0.00 175.30 174.72 2iuu s PHE 368 N 0.69 3.32 -0.30 5.12 0.40 0.28 -0.83 117.98 126.65 2iuu s PHE 368 Ca 0.17 -1.75 -0.27 0.00 -0.60 0.00 0.00 56.93 54.48 2iuu s PHE 368 Cb -0.13 -2.44 0.01 0.00 0.51 0.00 0.00 43.02 40.97 2iuu s PHE 368 CO 0.05 -0.81 0.98 -1.21 0.70 0.00 0.00 175.22 174.94 2iuu s GLU 369 N 1.31 4.06 0.12 0.44 2.02 -0.37 -1.30 118.70 124.99 2iuu s GLU 369 Ca -0.01 0.97 0.06 0.00 0.02 0.00 0.00 54.97 56.01 2iuu s GLU 369 Cb -0.20 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2iuu s GLU 369 CO 0.00 -0.80 0.00 0.96 0.02 0.00 0.00 175.26 175.45 2iuu s ILE 370 N 3.38 3.92 -0.39 -1.63 -0.00 0.72 0.56 121.20 127.76 2iuu s ILE 370 Ca 0.41 -1.15 -0.08 0.00 -0.00 0.00 0.00 60.65 59.84 2iuu s ILE 370 Cb -0.13 -2.91 0.07 0.00 -0.00 0.00 0.00 42.46 39.49 2iuu s ILE 370 CO 0.13 0.03 0.21 -1.58 -0.00 0.00 0.00 174.94 173.73 2iuu s GLN 371 N -2.56 2.56 0.36 0.37 2.00 0.11 -1.38 119.66 121.13 2iuu s GLN 371 Ca 0.26 -1.40 -0.28 0.00 -2.00 0.00 0.00 55.36 51.94 2iuu s GLN 371 Cb -0.11 -3.67 -0.11 0.00 0.80 0.00 0.00 33.01 29.92 2iuu s GLN 371 CO 0.18 -0.87 1.51 -2.14 -0.50 0.00 0.00 175.29 173.47 2iuu s PRO 372 N 1.40 4.11 1.24 1.67 0.02 -1.26 -2.41 135.00 139.76 2iuu s PRO 372 Ca 0.02 2.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.46 2iuu s PRO 372 Cb -0.22 -2.98 0.31 0.00 0.02 0.00 0.00 34.50 31.63 2iuu s PRO 372 CO 0.02 -0.55 1.00 0.00 -0.33 0.00 0.00 177.00 177.14 2iuu s ALA 373 N -0.93 -0.47 0.29 -1.55 0.00 -0.76 -4.89 121.76 113.44 2iuu s ALA 373 Ca 0.54 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2iuu s ALA 373 Cb -0.47 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 2iuu s ALA 373 CO 0.61 -4.02 1.57 0.00 0.00 0.00 0.00 175.76 173.92 2iuu s ALA 374 N -2.47 3.73 0.00 0.00 0.00 -1.26 -2.74 121.76 119.02 2iuu s ALA 374 Ca 0.68 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2iuu s ALA 374 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2iuu s ALA 374 CO 0.62 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2iuu n GLY 375 N 2.19 2.88 3.71 0.00 0.00 -1.26 -5.01 105.19 107.70 2iuu n GLY 375 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2iuu n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s VAL 376 N -3.02 4.95 0.07 1.61 0.11 -1.11 -5.03 120.40 117.97 2iuu s VAL 376 Ca 0.00 1.75 -0.19 0.00 -2.93 0.00 0.00 61.98 60.60 2iuu s VAL 376 Cb 0.00 -4.18 -0.07 0.00 -1.53 0.00 0.00 36.38 30.61 2iuu s VAL 376 CO 0.00 0.21 0.56 -0.54 -3.33 0.00 0.00 175.10 172.00 2iuu s LYS 377 N 0.87 4.19 0.34 1.54 1.02 -1.26 -4.87 119.74 121.57 2iuu s LYS 377 Ca 0.44 0.72 0.10 0.00 0.02 0.00 0.00 55.97 57.25 2iuu s LYS 377 Cb -0.19 -3.24 0.85 0.00 -0.52 0.00 0.00 37.83 34.73 2iuu s LYS 377 CO 0.23 0.63 1.79 0.28 -0.92 0.00 0.00 175.35 177.37 2iuu h VAL 378 N 3.57 0.68 -0.86 3.17 2.07 -1.96 -0.99 116.25 121.93 2iuu h VAL 378 Ca -0.50 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 66.98 2iuu h VAL 378 Cb 1.21 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 2iuu h VAL 378 CO 0.63 0.12 0.40 0.77 0.02 0.00 0.00 177.57 179.51 2iuu h SER 379 N 0.65 0.41 -0.86 0.57 4.64 -1.99 0.24 113.55 117.21 2iuu h SER 379 Ca 0.56 0.12 0.09 0.00 -0.47 0.00 0.00 61.79 62.10 2iuu h SER 379 Cb 1.02 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.11 2iuu h SER 379 CO -0.33 0.10 0.51 0.03 -0.87 0.00 0.00 176.83 176.27 2iuu h ARG 380 N 0.50 0.83 0.41 4.77 3.08 -1.58 0.41 114.38 122.80 2iuu h ARG 380 Ca 0.50 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.48 2iuu h ARG 380 Cb 0.84 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2iuu h ARG 380 CO -0.45 0.55 -0.20 0.82 -1.07 0.00 0.00 179.97 179.63 2iuu h ILE 381 N 0.85 0.55 -0.60 2.04 1.08 -0.64 -3.18 117.51 117.62 2iuu h ILE 381 Ca 0.41 -0.43 0.11 0.00 -0.39 0.00 0.00 64.86 64.56 2iuu h ILE 381 Cb 0.36 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2iuu h ILE 381 CO -0.24 0.07 0.17 0.28 -0.69 0.00 0.00 178.15 177.74 2iuu h SER 382 N -0.82 0.09 -0.17 1.72 0.02 -0.92 -2.22 113.55 111.26 2iuu h SER 382 Ca -0.06 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2iuu h SER 382 Cb 0.54 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2iuu h SER 382 CO 0.09 0.06 0.22 0.78 -1.14 0.00 0.00 176.83 176.84 2iuu h ASN 383 N 0.32 0.00 -1.11 3.07 -0.26 -0.18 -2.57 115.58 114.85 2iuu h ASN 383 Ca 0.31 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.47 2iuu h ASN 383 Cb 0.44 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 37.29 2iuu h ASN 383 CO -0.36 0.00 -0.59 0.00 -1.06 0.00 0.00 177.43 175.41 2iuu n LEU 384 N -3.69 5.14 0.11 1.61 -0.00 -0.84 -4.64 117.00 114.68 2iuu n LEU 384 Ca 0.01 -4.90 -0.04 0.00 -0.00 0.00 0.00 56.01 51.08 2iuu n LEU 384 Cb 0.33 -0.46 0.09 0.00 -0.00 0.00 0.00 43.42 43.38 2iuu n LEU 384 CO 0.26 2.10 0.40 0.00 -0.00 0.00 0.00 177.39 180.15 2iuu h ALA 385 N 2.36 0.79 0.03 1.47 0.00 -1.52 -0.72 119.26 121.66 2iuu h ALA 385 Ca 0.37 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2iuu h ALA 385 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2iuu h ALA 385 CO 0.88 0.85 -0.01 -0.22 0.00 0.00 0.00 179.25 180.75 2iuu h LYS 386 N 0.06 -0.04 -0.30 0.00 1.63 -1.84 -1.60 116.57 114.48 2iuu h LYS 386 Ca -0.01 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 2iuu h LYS 386 Cb 1.26 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2iuu h LYS 386 CO 0.10 0.34 -0.21 -0.44 -3.45 0.00 0.00 179.45 175.78 2iuu h ASP 387 N -0.42 0.70 -0.74 4.20 5.19 -1.89 -2.56 116.42 120.91 2iuu h ASP 387 Ca -0.00 -0.44 0.07 0.00 -0.62 0.00 0.00 57.03 56.04 2iuu h ASP 387 Cb 0.39 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 2iuu h ASP 387 CO 0.01 0.99 0.42 0.25 -3.12 0.00 0.00 179.24 177.79 2iuu h LEU 388 N 0.42 0.62 -0.77 1.55 5.85 -1.17 -0.60 115.31 121.21 2iuu h LEU 388 Ca 0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2iuu h LEU 388 Cb 0.76 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2iuu h LEU 388 CO 0.06 0.38 0.47 0.00 -0.34 0.00 0.00 178.44 179.01 2iuu h ALA 389 N 1.39 1.03 -0.22 1.25 0.00 -1.12 -1.13 119.26 120.46 2iuu h ALA 389 Ca 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2iuu h ALA 389 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2iuu h ALA 389 CO -0.20 0.22 -0.02 -0.09 0.00 0.00 0.00 179.25 179.16 2iuu h ARG 390 N 0.88 0.39 0.00 0.00 2.43 -0.84 -0.46 114.38 116.78 2iuu h ARG 390 Ca 0.32 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2iuu h ARG 390 Cb 0.11 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2iuu h ARG 390 CO -0.15 0.60 -0.02 0.66 -1.51 0.00 0.00 179.97 179.55 2iuu h SER 391 N 0.14 0.00 0.02 -3.80 4.64 -0.73 0.45 113.55 114.28 2iuu h SER 391 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2iuu h SER 391 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2iuu h SER 391 CO 0.01 0.02 -0.27 0.18 -0.87 0.00 0.00 176.83 175.91 2iuu n LEU 392 N -3.44 2.06 -2.80 5.97 4.77 -0.47 -4.97 117.00 118.13 2iuu n LEU 392 Ca -0.03 -0.71 -0.21 0.00 -0.03 0.00 0.00 56.01 55.03 2iuu n LEU 392 Cb 0.12 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2iuu n LEU 392 CO 0.25 0.37 -0.03 0.00 -1.33 0.00 0.00 177.39 176.64 2iuu n ALA 393 N 0.25 -0.88 -2.53 -1.18 0.00 0.15 -5.01 120.51 111.30 2iuu n ALA 393 Ca 0.12 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2iuu n ALA 393 Cb 0.47 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 2iuu n ALA 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2iuu s VAL 394 N -3.13 3.04 0.45 0.00 -7.23 -0.46 -5.03 120.40 108.03 2iuu s VAL 394 Ca 0.26 -1.52 0.11 0.00 -1.81 0.00 0.00 61.98 59.01 2iuu s VAL 394 Cb -0.11 -2.43 0.27 0.00 0.56 0.00 0.00 36.38 34.66 2iuu s VAL 394 CO 0.32 0.03 2.09 -0.29 -0.31 0.00 0.00 175.10 176.94 2iuu h ILE 395 N 3.24 1.06 -2.12 -0.62 2.10 -1.95 -3.39 117.51 115.83 2iuu h ILE 395 Ca -0.49 -0.12 0.20 0.00 1.08 0.00 0.00 64.86 65.54 2iuu h ILE 395 Cb 1.18 0.68 -0.10 0.00 -1.09 0.00 0.00 36.82 37.49 2iuu h ILE 395 CO 0.50 0.06 0.57 -0.94 -1.08 0.00 0.00 178.15 177.26 2iuu s SER 396 N -6.80 -0.17 -0.01 2.19 1.04 -1.26 -4.96 113.70 103.73 2iuu s SER 396 Ca -0.07 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 2iuu s SER 396 Cb 0.17 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2iuu s SER 396 CO 0.71 -0.72 0.03 0.54 0.98 0.00 0.00 173.24 174.78 2iuu s VAL 397 N -3.06 0.03 -0.28 5.02 0.11 -1.26 -4.37 120.40 116.59 2iuu s VAL 397 Ca 0.12 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 2iuu s VAL 397 Cb -0.00 -0.13 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2iuu s VAL 397 CO -0.01 -0.13 0.07 -0.60 -3.33 0.00 0.00 175.10 171.10 2iuu s ARG 398 N -0.40 3.24 -0.35 1.54 3.52 -0.74 -4.92 118.95 120.85 2iuu s ARG 398 Ca -0.04 -0.76 -0.20 0.00 -0.13 0.00 0.00 55.73 54.60 2iuu s ARG 398 Cb -0.03 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2iuu s ARG 398 CO -0.00 -0.37 0.62 0.08 -0.81 0.00 0.00 175.30 174.81 2iuu s VAL 399 N 1.53 4.91 -0.71 7.11 1.01 -1.26 -1.04 120.40 131.94 2iuu s VAL 399 Ca 0.04 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2iuu s VAL 399 Cb -0.16 -4.05 0.15 0.00 0.00 0.00 0.00 36.38 32.32 2iuu s VAL 399 CO 0.02 -0.28 0.75 -0.69 0.00 0.00 0.00 175.10 174.90 2iuu s VAL 400 N 2.65 5.17 0.51 2.92 1.01 0.36 -4.94 120.40 128.08 2iuu s VAL 400 Ca 0.24 -1.71 0.33 0.00 0.00 0.00 0.00 61.98 60.83 2iuu s VAL 400 Cb -0.15 -4.49 0.33 0.00 0.00 0.00 0.00 36.38 32.07 2iuu s VAL 400 CO 0.14 -1.09 2.01 -0.33 0.00 0.00 0.00 175.10 175.83 2iuu h GLU 401 N 8.57 0.00 -3.20 2.72 5.08 -1.95 -1.92 114.58 123.88 2iuu h GLU 401 Ca -0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 2iuu h GLU 401 Cb 1.06 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.00 2iuu h GLU 401 CO 0.96 0.00 -0.57 0.54 -1.00 0.00 0.00 179.01 178.95 2iuu s VAL 402 N -3.99 -0.05 -0.30 3.13 0.11 -1.26 -4.83 120.40 113.22 2iuu s VAL 402 Ca -0.04 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 2iuu s VAL 402 Cb 0.10 -0.28 0.08 0.00 -1.53 0.00 0.00 36.38 34.75 2iuu s VAL 402 CO 0.30 0.07 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.49 2iuu s ILE 403 N 1.18 2.27 -0.27 7.04 1.01 -1.25 -4.96 121.20 126.23 2iuu s ILE 403 Ca -0.09 -1.96 -0.39 0.00 0.00 0.00 0.00 60.65 58.21 2iuu s ILE 403 Cb -0.11 -2.50 -0.17 0.00 0.01 0.00 0.00 42.46 39.68 2iuu s ILE 403 CO -0.07 -0.31 1.23 -2.65 0.00 0.00 0.00 174.94 173.14 2iuu n PRO 404 N 4.36 0.00 0.00 2.79 -0.02 -1.26 -1.68 135.00 139.18 2iuu n PRO 404 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2iuu n PRO 404 Cb 0.42 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2iuu n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iuu n GLY 405 N 2.68 2.40 3.96 -1.23 0.00 -1.26 -4.99 105.19 106.75 2iuu n GLY 405 Ca 0.24 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2iuu n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s LYS 406 N 0.00 3.15 -0.00 1.61 1.02 -0.68 -5.00 119.74 119.84 2iuu s LYS 406 Ca 0.00 -0.53 0.21 0.00 0.02 0.00 0.00 55.97 55.67 2iuu s LYS 406 Cb 0.00 -2.61 0.61 0.00 -0.52 0.00 0.00 37.83 35.31 2iuu s LYS 406 CO 0.00 -0.15 1.51 0.25 -0.92 0.00 0.00 175.35 176.04 2iuu n THR 407 N -1.97 1.02 -2.94 2.17 -2.24 -1.26 -4.67 114.28 104.39 2iuu n THR 407 Ca -0.00 -1.00 -0.23 0.00 -2.27 0.00 0.00 64.05 60.54 2iuu n THR 407 Cb 0.57 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 69.31 2iuu n THR 407 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2iuu s THR 408 N -1.02 4.00 0.23 4.28 -4.23 -1.26 -4.75 115.64 112.89 2iuu s THR 408 Ca 0.46 -0.45 0.10 0.00 -1.18 0.00 0.00 61.69 60.62 2iuu s THR 408 Cb 0.24 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 2iuu s THR 408 CO 0.31 -0.35 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.22 2iuu s VAL 409 N -2.58 2.90 0.06 2.29 1.01 -0.48 -3.85 120.40 119.75 2iuu s VAL 409 Ca 0.49 -2.01 0.09 0.00 0.00 0.00 0.00 61.98 60.55 2iuu s VAL 409 Cb -0.10 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2iuu s VAL 409 CO 0.38 -0.26 -0.26 -0.83 0.00 0.00 0.00 175.10 174.13 2iuu s GLY 410 N -3.21 1.40 -0.16 4.51 0.00 -0.72 -0.20 107.32 108.94 2iuu s GLY 410 Ca 0.27 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 2iuu s GLY 410 CO 0.15 -1.19 -0.06 -0.42 0.00 0.00 0.00 173.10 171.58 2iuu s ILE 411 N -0.85 1.18 -0.41 0.90 1.01 -0.42 -0.48 121.20 122.12 2iuu s ILE 411 Ca 0.12 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2iuu s ILE 411 Cb -0.10 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.07 2iuu s ILE 411 CO 0.03 0.17 0.39 -1.61 0.00 0.00 0.00 174.94 173.91 2iuu s GLU 412 N 1.61 3.12 -0.13 2.79 2.02 -0.21 -0.56 118.70 127.34 2iuu s GLU 412 Ca 0.01 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 2iuu s GLU 412 Cb -0.15 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 2iuu s GLU 412 CO -0.08 -0.78 0.06 0.42 0.02 0.00 0.00 175.26 174.90 2iuu s ILE 413 N 1.99 4.82 0.11 -1.63 1.01 -0.37 -1.79 121.20 125.34 2iuu s ILE 413 Ca 0.10 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 2iuu s ILE 413 Cb -0.18 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 2iuu s ILE 413 CO 0.12 0.56 1.54 -2.84 0.00 0.00 0.00 174.94 174.32 2iuu s PRO 414 N -0.45 4.24 0.53 2.79 0.02 -1.26 -0.86 135.00 140.01 2iuu s PRO 414 Ca 0.10 2.25 -0.21 0.00 0.02 0.00 0.00 61.00 63.16 2iuu s PRO 414 Cb -0.12 -3.35 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 2iuu s PRO 414 CO 0.02 -0.61 1.23 -0.80 -0.33 0.00 0.00 177.00 176.51 2iuu s ASN 415 N 1.60 5.57 0.22 2.53 0.02 -0.53 -4.90 114.94 119.47 2iuu s ASN 415 Ca 0.69 2.45 -0.09 0.00 -1.02 0.00 0.00 52.86 54.90 2iuu s ASN 415 Cb -0.40 -2.61 0.20 0.00 0.02 0.00 0.00 41.25 38.46 2iuu s ASN 415 CO 0.31 -1.34 1.90 -0.33 0.02 0.00 0.00 177.10 177.66 2iuu h GLU 416 N 1.46 1.11 -4.68 -0.60 5.08 -1.93 -3.35 114.58 111.66 2iuu h GLU 416 Ca -0.50 -0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.11 2iuu h GLU 416 Cb 1.28 -0.25 -0.35 0.00 0.50 0.00 0.00 28.75 29.93 2iuu h GLU 416 CO 0.57 0.73 -0.67 -0.51 -1.00 0.00 0.00 179.01 178.14 2iuu s ASP 417 N -5.96 4.92 -0.11 1.42 1.01 -1.26 -5.07 116.67 111.61 2iuu s ASP 417 Ca -0.13 -1.70 -0.30 0.00 0.71 0.00 0.00 52.55 51.14 2iuu s ASP 417 Cb 0.16 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.36 2iuu s ASP 417 CO 0.79 -0.36 1.16 -0.60 0.21 0.00 0.00 175.17 176.38 2iuu s ARG 418 N 1.13 4.32 -0.04 8.23 3.52 -1.26 -4.94 118.95 129.91 2iuu s ARG 418 Ca 0.02 1.58 -0.16 0.00 -0.13 0.00 0.00 55.73 57.04 2iuu s ARG 418 Cb -0.20 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2iuu s ARG 418 CO -0.04 -0.51 0.42 1.14 -0.81 0.00 0.00 175.30 175.50 2iuu s GLN 419 N 2.63 4.06 0.74 5.12 -2.07 -0.69 -5.03 119.66 124.43 2iuu s GLN 419 Ca 0.53 0.41 -0.12 0.00 -1.82 0.00 0.00 55.36 54.36 2iuu s GLN 419 Cb -0.22 -3.29 0.04 0.00 -1.09 0.00 0.00 33.01 28.45 2iuu s GLN 419 CO 0.17 0.52 1.10 1.41 -1.32 0.00 0.00 175.29 177.17 2iuu s MET 420 N -0.53 2.40 -0.24 9.60 -2.45 -1.26 -4.56 119.30 122.26 2iuu s MET 420 Ca 0.24 1.24 -0.00 0.00 -1.25 0.00 0.00 55.69 55.92 2iuu s MET 420 Cb -0.16 -1.91 0.03 0.00 1.25 0.00 0.00 34.83 34.04 2iuu s MET 420 CO 0.12 -1.54 -0.10 0.08 1.05 0.00 0.00 175.02 174.63 2iuu s VAL 421 N -2.73 2.55 0.10 10.11 1.01 -1.26 -4.97 120.40 125.20 2iuu s VAL 421 Ca 0.63 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2iuu s VAL 421 Cb -0.18 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 2iuu s VAL 421 CO 0.52 0.22 0.64 -0.13 0.00 0.00 0.00 175.10 176.35 2iuu s ARG 422 N 1.27 4.33 0.26 2.72 1.81 -1.26 0.40 118.95 128.48 2iuu s ARG 422 Ca -0.01 0.88 -0.02 0.00 -1.72 0.00 0.00 55.73 54.86 2iuu s ARG 422 Cb -0.17 -3.25 0.52 0.00 -0.45 0.00 0.00 34.95 31.61 2iuu s ARG 422 CO -0.06 0.60 1.74 0.35 -0.68 0.00 0.00 175.30 177.25 2iuu h PHE 423 N 4.53 0.67 -0.31 -0.53 -0.00 -1.76 0.19 116.94 119.72 2iuu h PHE 423 Ca -0.49 0.04 0.07 0.00 -0.00 0.00 0.00 57.97 57.59 2iuu h PHE 423 Cb 1.21 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.98 2iuu h PHE 423 CO 0.67 0.12 0.21 0.66 -0.00 0.00 0.00 178.31 179.97 2iuu h SER 424 N 0.54 0.10 0.85 0.41 4.64 -1.88 0.72 113.55 118.94 2iuu h SER 424 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2iuu h SER 424 Cb 0.68 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2iuu h SER 424 CO -0.39 0.07 0.00 -0.08 -0.87 0.00 0.00 176.83 175.56 2iuu h GLU 425 N 0.12 0.00 0.00 4.77 4.81 -0.95 -2.50 114.58 120.83 2iuu h GLU 425 Ca 0.14 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.93 2iuu h GLU 425 Cb 0.41 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 2iuu h GLU 425 CO -0.02 0.00 -2.45 0.28 -0.73 0.00 0.00 179.01 176.10 2iuu n VAL 426 N -2.78 1.53 0.33 0.32 0.31 0.16 -4.37 118.33 113.84 2iuu n VAL 426 Ca 0.01 -0.40 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 2iuu n VAL 426 Cb 0.26 -1.82 0.41 0.00 -0.91 0.00 0.00 33.84 31.79 2iuu n VAL 426 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2iuu n LEU 427 N -4.10 0.41 0.23 7.52 4.77 -0.70 -2.07 117.00 123.07 2iuu n LEU 427 Ca -0.52 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 2iuu n LEU 427 Cb 0.89 -0.60 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 2iuu n LEU 427 CO 0.08 -0.55 0.88 0.77 -1.33 0.00 0.00 177.39 177.24 2iuu h SER 428 N 0.00 0.00 -4.11 -1.43 4.64 -1.64 -3.39 113.55 107.62 2iuu h SER 428 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2iuu h SER 428 Cb 0.23 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.50 2iuu h SER 428 CO 0.00 0.00 0.25 -1.54 -0.87 0.00 0.00 176.83 174.67 2iuu n SER 429 N -3.00 0.73 0.17 4.97 3.41 -0.88 -4.85 113.62 114.17 2iuu n SER 429 Ca 0.03 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 2iuu n SER 429 Cb 0.44 -1.48 0.26 0.00 -0.26 0.00 0.00 64.21 63.17 2iuu n SER 429 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2iuu h PRO 430 N -0.95 0.00 -0.54 4.33 0.13 -1.90 -2.25 132.00 130.83 2iuu h PRO 430 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2iuu h PRO 430 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2iuu h PRO 430 CO 0.45 0.46 0.33 0.93 -0.23 0.00 0.00 178.00 179.94 2iuu h GLU 431 N 0.00 0.72 -0.04 0.86 3.07 -1.94 0.10 114.58 117.36 2iuu h GLU 431 Ca -0.00 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.56 2iuu h GLU 431 Cb 1.00 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2iuu h GLU 431 CO 0.06 0.51 -0.90 -0.92 -1.40 0.00 0.00 179.01 176.36 2iuu h TYR 432 N 0.72 0.97 -0.15 4.33 3.20 -1.85 -2.62 116.97 121.57 2iuu h TYR 432 Ca 0.19 -0.50 0.01 0.00 3.14 0.00 0.00 58.73 61.57 2iuu h TYR 432 Cb -0.03 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2iuu h TYR 432 CO -0.03 1.33 0.06 0.22 -1.64 0.00 0.00 178.16 178.11 2iuu h ASP 433 N 0.33 0.09 -0.13 -2.11 1.82 -1.16 -2.72 116.42 112.54 2iuu h ASP 433 Ca -0.10 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2iuu h ASP 433 Cb 1.55 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.56 2iuu h ASP 433 CO 0.18 0.07 0.00 -0.62 -1.61 0.00 0.00 179.24 177.26 2iuu n GLU 434 N -5.04 1.55 -1.91 0.28 1.02 0.33 -4.92 120.64 111.95 2iuu n GLU 434 Ca -0.04 -0.83 -0.42 0.00 -0.02 0.00 0.00 57.16 55.85 2iuu n GLU 434 Cb 0.05 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2iuu n GLU 434 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2iuu s HIS 435 N -1.83 3.03 -1.73 -0.32 2.46 -0.99 -4.91 115.29 111.00 2iuu s HIS 435 Ca 0.30 0.64 0.26 0.00 0.47 0.00 0.00 55.06 56.73 2iuu s HIS 435 Cb 0.16 -3.95 0.75 0.00 -0.13 0.00 0.00 32.58 29.41 2iuu s HIS 435 CO 0.24 -3.46 1.56 1.17 -2.47 0.00 0.00 174.74 171.79 2iuu n LYS 436 N 3.76 0.81 -2.23 2.88 4.81 -1.26 -4.95 118.16 121.99 2iuu n LYS 436 Ca 0.13 -0.48 -0.32 0.00 -0.87 0.00 0.00 58.31 56.78 2iuu n LYS 436 Cb 0.38 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 2iuu n LYS 436 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2iuu s SER 437 N -2.52 6.46 0.32 3.14 0.15 -1.26 -4.96 113.70 115.03 2iuu s SER 437 Ca 0.24 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.66 2iuu s SER 437 Cb 0.19 -2.50 0.25 0.00 -1.71 0.00 0.00 66.02 62.25 2iuu s SER 437 CO 0.53 -0.70 1.40 0.71 1.20 0.00 0.00 173.24 176.37 2iuu h THR 438 N 0.54 0.00 -2.12 6.45 1.35 -1.92 -3.38 112.91 113.83 2iuu h THR 438 Ca -0.46 -0.93 -0.55 0.00 -0.55 0.00 0.00 66.41 63.92 2iuu h THR 438 Cb 1.19 1.72 -0.41 0.00 -1.73 0.00 0.00 68.15 68.92 2iuu h THR 438 CO 0.61 0.00 -0.91 1.33 -0.25 0.00 0.00 175.52 176.31 2iuu n VAL 439 N -2.83 1.21 -2.77 6.82 0.24 -1.26 -4.53 118.33 115.21 2iuu n VAL 439 Ca 0.03 -4.92 -0.34 0.00 -2.04 0.00 0.00 64.34 57.07 2iuu n VAL 439 Cb 0.52 -1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 31.63 2iuu n VAL 439 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2iuu s PRO 440 N -2.58 4.20 -0.21 7.34 0.04 -1.26 -2.02 135.00 140.52 2iuu s PRO 440 Ca 0.42 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2iuu s PRO 440 Cb 0.27 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2iuu s PRO 440 CO -0.09 -0.06 -0.08 -0.51 0.04 0.00 0.00 177.00 176.29 2iuu s LEU 441 N -3.09 2.33 -0.55 -3.56 1.43 0.90 -4.03 118.68 112.12 2iuu s LEU 441 Ca 0.61 -0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 2iuu s LEU 441 Cb -0.12 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2iuu s LEU 441 CO 0.16 -0.18 0.81 0.00 0.23 0.00 0.00 176.35 177.37 2iuu s ALA 442 N 1.41 3.25 0.04 4.21 0.00 -1.26 -0.38 121.76 129.04 2iuu s ALA 442 Ca -0.03 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 2iuu s ALA 442 Cb -0.17 -3.59 -0.29 0.00 0.00 0.00 0.00 23.12 19.08 2iuu s ALA 442 CO -0.07 -2.28 1.09 -0.07 0.00 0.00 0.00 175.76 174.42 2iuu h LEU 443 N 10.47 0.82 0.00 0.00 3.38 -1.62 -3.44 115.31 124.92 2iuu h LEU 443 Ca -0.27 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 56.87 2iuu h LEU 443 Cb 1.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2iuu h LEU 443 CO 1.05 1.56 0.00 0.61 0.09 0.00 0.00 178.44 181.75 2iuu n GLY 444 N 1.36 -0.18 3.51 0.83 0.00 -1.25 -2.69 105.19 106.77 2iuu n GLY 444 Ca -0.13 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 2iuu n GLY 444 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iuu s HIS 445 N -4.00 2.68 0.97 1.61 3.76 -0.75 -0.83 115.29 118.71 2iuu s HIS 445 Ca 0.00 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 2iuu s HIS 445 Cb 0.00 -1.51 0.18 0.00 1.11 0.00 0.00 32.58 32.36 2iuu s HIS 445 CO 0.00 0.30 1.23 0.16 -0.85 0.00 0.00 174.74 175.58 2iuu s ASP 446 N -1.48 3.06 0.13 1.40 1.47 0.15 -0.03 116.67 121.37 2iuu s ASP 446 Ca 0.16 0.54 0.06 0.00 1.18 0.00 0.00 52.55 54.49 2iuu s ASP 446 Cb -0.11 -0.79 0.34 0.00 -0.34 0.00 0.00 42.92 42.03 2iuu s ASP 446 CO 0.07 -2.79 1.09 2.30 0.68 0.00 0.00 175.17 176.52 2iuu n ILE 447 N -3.85 1.20 0.23 2.11 -6.64 -1.25 -0.30 119.36 110.85 2iuu n ILE 447 Ca 0.12 0.59 0.08 0.00 -1.77 0.00 0.00 62.75 61.78 2iuu n ILE 447 Cb 0.60 -1.59 0.15 0.00 -1.44 0.00 0.00 39.64 37.35 2iuu n ILE 447 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2iuu n GLY 448 N -1.34 1.42 0.89 3.28 0.00 -1.26 -4.00 105.19 104.19 2iuu n GLY 448 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2iuu n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuu n GLY 449 N 0.98 0.76 3.78 -0.02 0.00 0.58 -4.84 105.19 106.44 2iuu n GLY 449 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2iuu n GLY 449 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iuu s ARG 450 N -0.70 4.59 0.13 1.61 0.52 -1.26 -4.68 118.95 119.15 2iuu s ARG 450 Ca 0.00 1.26 -0.31 0.00 -0.52 0.00 0.00 55.73 56.17 2iuu s ARG 450 Cb 0.00 -2.99 -0.07 0.00 0.52 0.00 0.00 34.95 32.41 2iuu s ARG 450 CO 0.00 0.40 1.28 -1.25 0.02 0.00 0.00 175.30 175.75 2iuu s PRO 451 N -1.71 4.40 -0.38 3.54 0.04 -1.26 0.29 135.00 139.92 2iuu s PRO 451 Ca 0.45 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 2iuu s PRO 451 Cb -0.21 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.12 2iuu s PRO 451 CO 0.26 -0.29 0.20 0.42 0.04 0.00 0.00 177.00 177.63 2iuu s ILE 452 N 0.70 4.29 -0.14 0.56 -1.09 -0.01 -4.90 121.20 120.62 2iuu s ILE 452 Ca 0.59 -1.11 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2iuu s ILE 452 Cb -0.34 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 2iuu s ILE 452 CO 0.32 -0.32 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.96 2iuu s ILE 453 N 1.48 3.06 0.44 2.92 1.09 -1.26 -1.40 121.20 127.53 2iuu s ILE 453 Ca 0.01 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 58.95 2iuu s ILE 453 Cb -0.21 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 2iuu s ILE 453 CO 0.04 0.52 0.02 0.42 -0.10 0.00 0.00 174.94 175.84 2iuu s THR 454 N 0.46 1.45 -0.30 2.92 -4.23 0.49 -4.94 115.64 111.50 2iuu s THR 454 Ca -0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2iuu s THR 454 Cb -0.16 -2.58 0.08 0.00 1.34 0.00 0.00 72.50 71.19 2iuu s THR 454 CO 0.04 0.00 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.50 2iuu s ASP 455 N -3.75 4.46 0.27 3.99 3.68 -1.26 -0.07 116.67 124.00 2iuu s ASP 455 Ca 0.22 -1.73 0.01 0.00 2.13 0.00 0.00 52.55 53.17 2iuu s ASP 455 Cb 0.06 -1.47 0.61 0.00 -1.45 0.00 0.00 42.92 40.67 2iuu s ASP 455 CO 0.11 -0.30 1.72 0.25 0.13 0.00 0.00 175.17 177.08 2iuu h LEU 456 N 7.75 0.37 -2.70 -1.34 6.46 -1.74 0.24 115.31 124.34 2iuu h LEU 456 Ca -0.11 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2iuu h LEU 456 Cb 1.03 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2iuu h LEU 456 CO 0.48 0.08 0.02 0.00 -0.62 0.00 0.00 178.44 178.41 2iuu h ALA 457 N 1.63 1.28 -0.01 1.25 0.00 -1.85 -1.22 119.26 120.34 2iuu h ALA 457 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2iuu h ALA 457 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2iuu h ALA 457 CO -0.46 -0.03 -0.48 1.63 0.00 0.00 0.00 179.25 179.91 2iuu n LYS 458 N -3.44 0.99 -0.06 0.00 4.76 0.80 -4.57 118.16 116.65 2iuu n LYS 458 Ca -0.03 -0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 54.51 2iuu n LYS 458 Cb 0.10 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 2iuu n LYS 458 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2iuu h MET 459 N 1.91 0.34 -0.43 1.97 2.86 -0.94 -3.47 114.93 117.18 2iuu h MET 459 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2iuu h MET 459 Cb 0.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2iuu h MET 459 CO 0.00 0.63 0.00 -0.35 1.06 0.00 0.00 176.91 178.25 2iuu n PRO 460 N -4.64 3.37 -3.89 -0.22 -0.04 -1.26 -4.26 135.00 124.06 2iuu n PRO 460 Ca -0.05 -2.71 -0.10 0.00 -0.04 0.00 0.00 63.50 60.59 2iuu n PRO 460 Cb 0.29 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 2iuu n PRO 460 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2iuu s HIS 461 N -2.12 0.14 -0.03 0.54 3.76 -1.26 -4.18 115.29 112.15 2iuu s HIS 461 Ca 0.42 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2iuu s HIS 461 Cb 0.30 -0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.90 2iuu s HIS 461 CO 0.16 -0.40 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.41 2iuu s LEU 462 N -2.14 1.69 -0.20 0.89 2.96 0.68 -4.10 118.68 118.46 2iuu s LEU 462 Ca -0.05 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 2iuu s LEU 462 Cb -0.01 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 2iuu s LEU 462 CO -0.05 0.03 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.24 2iuu s LEU 463 N 0.36 3.19 -0.10 -0.68 1.43 -1.01 -0.60 118.68 121.26 2iuu s LEU 463 Ca -0.05 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2iuu s LEU 463 Cb -0.09 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2iuu s LEU 463 CO 0.00 0.06 -0.21 -0.69 0.23 0.00 0.00 176.35 175.74 2iuu s VAL 464 N 1.02 1.89 0.03 -1.59 1.01 0.16 -1.09 120.40 121.82 2iuu s VAL 464 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2iuu s VAL 464 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2iuu s VAL 464 CO 0.01 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.55 2iuu s ALA 465 N 0.51 0.69 -0.30 5.51 0.00 -0.95 -0.98 121.76 126.25 2iuu s ALA 465 Ca -0.16 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 2iuu s ALA 465 Cb -0.17 -0.07 0.21 0.00 0.00 0.00 0.00 23.12 23.09 2iuu s ALA 465 CO 0.06 0.09 1.29 0.20 0.00 0.00 0.00 175.76 177.39 2iuu s GLY 466 N -0.97 0.65 0.95 0.00 0.00 -0.88 -0.41 107.32 106.66 2iuu s GLY 466 Ca -0.03 3.89 -0.12 0.00 0.00 0.00 0.00 44.72 48.46 2iuu s GLY 466 CO 0.00 2.87 1.09 -0.51 0.00 0.00 0.00 173.10 176.55 2iuu s THR 467 N 1.14 2.39 0.29 0.90 -4.23 -0.75 -4.12 115.64 111.26 2iuu s THR 467 Ca -0.07 0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 2iuu s THR 467 Cb -0.02 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 71.10 2iuu s THR 467 CO -0.10 -0.16 1.52 0.35 -0.54 0.00 0.00 174.62 175.68 2iuu n THR 468 N -4.04 1.16 -0.07 3.99 -2.24 -1.26 -1.69 114.28 110.14 2iuu n THR 468 Ca 0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2iuu n THR 468 Cb 0.56 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2iuu n THR 468 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iuu n GLY 469 N 1.91 0.58 0.19 3.38 0.00 -1.26 -4.93 105.19 105.06 2iuu n GLY 469 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2iuu n GLY 469 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iuu h SER 470 N 0.00 0.00 0.00 1.61 4.64 -1.62 -3.24 113.55 114.94 2iuu h SER 470 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuu h SER 470 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2iuu h SER 470 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2iuu n GLY 471 N 0.91 1.09 0.19 -0.77 0.00 -1.26 -0.20 105.19 105.14 2iuu n GLY 471 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2iuu n GLY 471 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2iuu h LYS 472 N 0.00 0.57 -0.67 1.61 3.64 -1.89 -2.06 116.57 117.77 2iuu h LYS 472 Ca 0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2iuu h LYS 472 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2iuu h LYS 472 CO 0.00 0.63 0.34 0.77 -2.27 0.00 0.00 179.45 178.92 2iuu h SER 473 N 0.41 0.86 -0.65 4.20 0.02 -1.95 -1.18 113.55 115.26 2iuu h SER 473 Ca 0.11 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2iuu h SER 473 Cb 0.33 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2iuu h SER 473 CO 0.00 0.74 0.17 0.58 -1.14 0.00 0.00 176.83 177.18 2iuu h VAL 474 N 0.93 1.25 0.00 2.27 2.07 -1.91 -1.80 116.25 119.05 2iuu h VAL 474 Ca 0.23 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2iuu h VAL 474 Cb 0.09 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2iuu h VAL 474 CO -0.03 0.35 -0.20 1.23 0.02 0.00 0.00 177.57 178.94 2iuu h GLY 475 N 0.95 0.00 1.15 2.17 0.00 -0.86 0.70 103.07 107.19 2iuu h GLY 475 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.31 2iuu h GLY 475 CO -0.00 0.00 -0.81 -2.08 0.00 0.00 0.00 176.54 173.65 2iuu h VAL 476 N 0.00 1.29 -0.60 4.60 2.07 -0.75 -1.82 116.25 121.03 2iuu h VAL 476 Ca -0.00 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 2iuu h VAL 476 Cb 0.36 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2iuu h VAL 476 CO 0.03 0.63 0.25 0.78 0.02 0.00 0.00 177.57 179.28 2iuu h ASN 477 N 0.46 0.79 -0.79 0.57 2.35 -0.53 -0.02 115.58 118.42 2iuu h ASN 477 Ca -0.07 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2iuu h ASN 477 Cb 1.45 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 2iuu h ASN 477 CO 0.17 0.70 0.31 0.00 -1.65 0.00 0.00 177.43 176.96 2iuu h ALA 478 N 1.42 1.05 -0.11 -0.83 0.00 -0.73 0.43 119.26 120.48 2iuu h ALA 478 Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2iuu h ALA 478 Cb 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2iuu h ALA 478 CO -0.02 0.67 0.04 0.52 0.00 0.00 0.00 179.25 180.46 2iuu h MET 479 N 1.16 0.17 -0.53 0.00 2.86 -0.35 -1.21 114.93 117.02 2iuu h MET 479 Ca 0.26 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2iuu h MET 479 Cb 0.23 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2iuu h MET 479 CO -0.02 0.29 0.19 -0.07 1.06 0.00 0.00 176.91 178.36 2iuu h LEU 480 N 0.01 0.75 -1.57 1.22 3.38 -0.82 -2.37 115.31 115.91 2iuu h LEU 480 Ca 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2iuu h LEU 480 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2iuu h LEU 480 CO -0.00 0.73 -0.23 -0.07 0.09 0.00 0.00 178.44 178.96 2iuu h LEU 481 N 0.72 0.00 -1.05 1.67 4.07 -0.85 -1.09 115.31 118.78 2iuu h LEU 481 Ca 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.09 2iuu h LEU 481 Cb 0.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2iuu h LEU 481 CO -0.01 0.23 0.14 0.28 -1.08 0.00 0.00 178.44 177.99 2iuu h SER 482 N 0.00 0.76 0.25 -0.43 0.02 -0.68 -0.97 113.55 112.50 2iuu h SER 482 Ca -0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2iuu h SER 482 Cb 0.46 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2iuu h SER 482 CO 0.03 0.74 -0.12 0.40 -1.14 0.00 0.00 176.83 176.75 2iuu h ILE 483 N 0.79 0.47 -0.03 3.27 1.08 -1.15 -3.29 117.51 118.65 2iuu h ILE 483 Ca 0.18 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.73 2iuu h ILE 483 Cb 0.28 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2iuu h ILE 483 CO -0.00 0.12 0.25 -0.07 -0.69 0.00 0.00 178.15 177.76 2iuu h LEU 484 N -0.98 0.00 -0.82 1.44 3.38 -1.14 0.16 115.31 117.34 2iuu h LEU 484 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iuu h LEU 484 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2iuu h LEU 484 CO 0.06 0.00 -0.23 0.49 0.09 0.00 0.00 178.44 178.84 2iuu n PHE 485 N -3.03 0.00 0.00 1.13 0.99 -0.38 -4.42 117.46 111.76 2iuu n PHE 485 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2iuu n PHE 485 Cb 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.73 2iuu n PHE 485 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2iuu n LYS 486 N -0.18 2.07 -4.32 -1.08 4.81 0.33 -4.94 118.16 114.86 2iuu n LYS 486 Ca 0.13 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.32 2iuu n LYS 486 Cb 0.40 -0.86 -0.13 0.00 0.02 0.00 0.00 35.03 34.46 2iuu n LYS 486 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2iuu s SER 487 N -1.76 2.69 0.33 3.14 0.01 0.06 -5.03 113.70 113.15 2iuu s SER 487 Ca 0.00 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.60 2iuu s SER 487 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2iuu s SER 487 CO 0.00 0.08 0.50 0.42 0.41 0.00 0.00 173.24 174.66 2iuu s THR 488 N -1.13 4.70 0.62 1.44 -4.23 -1.26 -4.67 115.64 111.10 2iuu s THR 488 Ca 0.08 -0.74 0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2iuu s THR 488 Cb -0.10 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.40 2iuu s THR 488 CO 0.05 -0.36 1.83 -0.65 -0.54 0.00 0.00 174.62 174.95 2iuu h PRO 489 N 0.83 0.00 -0.00 3.99 0.11 -1.89 0.28 132.00 135.32 2iuu h PRO 489 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2iuu h PRO 489 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2iuu h PRO 489 CO 0.58 0.00 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.04 2iuu n SER 490 N -3.39 0.51 -0.05 -2.05 3.41 -1.26 -3.78 113.62 107.02 2iuu n SER 490 Ca 0.06 -0.42 -0.04 0.00 -0.26 0.00 0.00 58.87 58.21 2iuu n SER 490 Cb 0.64 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 2iuu n SER 490 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iuu n GLU 491 N -1.09 1.91 -3.71 4.33 1.02 0.91 -3.94 120.64 120.07 2iuu n GLU 491 Ca 0.11 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 2iuu n GLU 491 Cb 0.31 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 2iuu n GLU 491 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iuu s ALA 492 N -2.35 -0.91 0.19 0.62 0.00 -0.65 -0.67 121.76 117.99 2iuu s ALA 492 Ca -0.06 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.31 2iuu s ALA 492 Cb 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2iuu s ALA 492 CO 0.48 -0.23 -0.21 1.03 0.00 0.00 0.00 175.76 176.82 2iuu s ARG 493 N 1.11 1.43 0.06 0.00 1.81 0.46 -4.18 118.95 119.63 2iuu s ARG 493 Ca -0.07 -1.49 0.06 0.00 -1.72 0.00 0.00 55.73 52.50 2iuu s ARG 493 Cb -0.08 -1.63 -0.03 0.00 -0.45 0.00 0.00 34.95 32.77 2iuu s ARG 493 CO -0.09 0.34 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.21 2iuu s LEU 494 N -2.72 2.22 -0.18 2.53 1.43 0.25 -0.98 118.68 121.24 2iuu s LEU 494 Ca 0.19 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2iuu s LEU 494 Cb -0.07 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.56 2iuu s LEU 494 CO 0.09 0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 175.98 2iuu s ILE 495 N -1.03 1.31 -0.25 -0.59 1.01 -0.28 -0.75 121.20 120.63 2iuu s ILE 495 Ca 0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2iuu s ILE 495 Cb -0.09 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2iuu s ILE 495 CO 0.02 0.11 0.01 -0.04 0.00 0.00 0.00 174.94 175.04 2iuu s MET 496 N 1.54 3.33 -0.28 2.79 -1.94 -1.26 -1.17 119.30 122.30 2iuu s MET 496 Ca -0.01 -0.68 -0.08 0.00 -1.71 0.00 0.00 55.69 53.22 2iuu s MET 496 Cb -0.16 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 2iuu s MET 496 CO -0.08 -0.27 0.10 0.42 -0.01 0.00 0.00 175.02 175.19 2iuu s ILE 497 N 1.50 4.40 -0.68 2.53 1.01 -0.26 0.33 121.20 130.04 2iuu s ILE 497 Ca 0.05 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2iuu s ILE 497 Cb -0.15 -3.15 0.17 0.00 0.01 0.00 0.00 42.46 39.34 2iuu s ILE 497 CO -0.01 0.21 0.47 -0.62 0.00 0.00 0.00 174.94 175.00 2iuu s ASP 498 N 1.60 4.61 0.66 3.58 3.68 0.32 -1.41 116.67 129.73 2iuu s ASP 498 Ca 0.05 -3.75 0.25 0.00 2.13 0.00 0.00 52.55 51.23 2iuu s ASP 498 Cb -0.16 -1.57 1.34 0.00 -1.45 0.00 0.00 42.92 41.07 2iuu s ASP 498 CO 0.05 -0.10 1.75 1.55 0.13 0.00 0.00 175.17 178.55 2iuu h PRO 499 N 5.49 0.00 -4.80 4.34 0.13 -1.84 -3.26 132.00 132.06 2iuu h PRO 499 Ca 0.14 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.58 2iuu h PRO 499 Cb 0.77 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.57 2iuu h PRO 499 CO 0.70 0.00 -0.71 0.15 -0.23 0.00 0.00 178.00 177.90 2iuu s LYS 500 N -4.10 2.49 0.00 0.86 1.02 -1.26 -4.96 119.74 113.79 2iuu s LYS 500 Ca -0.03 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2iuu s LYS 500 Cb 0.07 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2iuu s LYS 500 CO 0.24 -0.58 0.00 -1.33 -0.92 0.00 0.00 175.35 172.76 2iuu n MET 501 N 4.63 0.00 0.00 1.68 2.81 -1.23 -3.98 117.12 121.03 2iuu n MET 501 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2iuu n MET 501 Cb 0.44 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 2iuu n MET 501 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2iuu n LEU 502 N 1.03 0.00 -0.39 4.03 0.00 -1.26 -4.71 117.00 115.70 2iuu n LEU 502 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 2iuu n LEU 502 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 2iuu n LEU 502 CO 0.00 0.00 0.49 -0.62 0.00 0.00 0.00 177.39 177.26 2iuu n GLU 503 N 0.00 -0.35 0.02 1.96 -0.58 -1.26 -2.54 120.64 117.90 2iuu n GLU 503 Ca 0.00 1.46 0.13 0.00 -0.42 0.00 0.00 57.16 58.33 2iuu n GLU 503 Cb 0.00 -2.15 0.43 0.00 -0.57 0.00 0.00 31.44 29.15 2iuu n GLU 503 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2iuu n LEU 504 N -5.27 0.35 0.07 -4.62 4.77 -1.26 -3.84 117.00 107.19 2iuu n LEU 504 Ca 0.05 0.34 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 2iuu n LEU 504 Cb 0.30 -0.37 0.29 0.00 -2.33 0.00 0.00 43.42 41.31 2iuu n LEU 504 CO -0.15 -0.00 0.67 -1.20 -1.33 0.00 0.00 177.39 175.39 2iuu n SER 505 N -1.69 0.27 0.11 -1.43 7.64 -1.05 -1.45 113.62 116.02 2iuu n SER 505 Ca 0.06 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.68 2iuu n SER 505 Cb 0.36 -0.65 0.45 0.00 -1.01 0.00 0.00 64.21 63.36 2iuu n SER 505 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iuu n ILE 506 N -1.85 0.69 0.82 0.44 0.00 -1.25 -2.97 119.36 115.24 2iuu n ILE 506 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 62.75 62.83 2iuu n ILE 506 Cb 0.04 -0.86 0.28 0.00 0.00 0.00 0.00 39.64 39.11 2iuu n ILE 506 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2iuu n TYR 507 N -2.22 0.29 -1.60 9.51 4.02 -0.53 -4.94 117.16 121.69 2iuu n TYR 507 Ca 0.04 -0.15 -0.46 0.00 -0.01 0.00 0.00 57.90 57.32 2iuu n TYR 507 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 2iuu n TYR 507 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2iuu n GLU 508 N 0.96 1.39 0.00 -0.72 4.07 -1.16 -2.64 120.64 122.55 2iuu n GLU 508 Ca 0.17 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 2iuu n GLU 508 Cb 0.49 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 2iuu n GLU 508 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iuu n GLY 509 N 1.66 2.67 3.77 8.31 0.00 -1.26 -5.03 105.19 115.31 2iuu n GLY 509 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2iuu n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iuu s ILE 510 N -2.19 2.26 0.51 -0.61 -4.36 -1.08 -3.71 121.20 112.02 2iuu s ILE 510 Ca 0.00 0.26 0.30 0.00 -0.26 0.00 0.00 60.65 60.95 2iuu s ILE 510 Cb 0.00 -3.16 0.30 0.00 1.25 0.00 0.00 42.46 40.85 2iuu s ILE 510 CO 0.00 0.06 1.91 1.55 0.24 0.00 0.00 174.94 178.70 2iuu h PRO 511 N 3.26 0.00 0.00 0.37 0.13 -1.78 -2.29 132.00 131.69 2iuu h PRO 511 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2iuu h PRO 511 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2iuu h PRO 511 CO 0.66 0.00 -0.19 0.45 -0.23 0.00 0.00 178.00 178.69 2iuu h HIS 512 N 0.00 0.00 -3.09 1.56 3.86 -1.89 -3.37 115.15 112.22 2iuu h HIS 512 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2iuu h HIS 512 Cb 0.46 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.00 2iuu h HIS 512 CO 0.00 0.19 0.89 -0.51 0.86 0.00 0.00 177.93 179.35 2iuu s LEU 513 N -6.50 4.36 0.30 2.43 1.43 -0.86 -0.58 118.68 119.25 2iuu s LEU 513 Ca 0.02 2.80 0.24 0.00 -1.03 0.00 0.00 54.13 56.16 2iuu s LEU 513 Cb 0.09 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 43.02 2iuu s LEU 513 CO 0.64 -0.86 1.45 -0.07 0.23 0.00 0.00 176.35 177.74 2iuu h LEU 514 N 5.74 0.00 -7.94 1.79 3.38 -1.24 -3.40 115.31 113.64 2iuu h LEU 514 Ca -0.45 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.56 2iuu h LEU 514 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2iuu h LEU 514 CO 0.85 0.01 0.33 0.00 0.09 0.00 0.00 178.44 179.73 2iuu s PRO 516 N -3.03 0.39 0.01 0.00 0.02 -1.26 -4.83 135.00 126.30 2iuu s PRO 516 Ca 0.14 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 61.87 2iuu s PRO 516 Cb -0.05 -1.69 -0.08 0.00 0.02 0.00 0.00 34.50 32.70 2iuu s PRO 516 CO 0.08 -2.88 1.85 0.08 -0.33 0.00 0.00 177.00 175.80 2iuu s VAL 517 N -2.70 3.22 -0.16 3.83 1.01 -1.26 -4.72 120.40 119.63 2iuu s VAL 517 Ca 0.66 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2iuu s VAL 517 Cb -0.22 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2iuu s VAL 517 CO 0.60 -0.02 1.52 -0.69 0.00 0.00 0.00 175.10 176.51 2iuu s VAL 518 N 4.29 3.83 -0.15 2.92 1.01 0.15 -4.87 120.40 127.58 2iuu s VAL 518 Ca 0.83 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.84 2iuu s VAL 518 Cb -0.39 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 2iuu s VAL 518 CO 0.37 -0.19 -0.06 0.41 0.00 0.00 0.00 175.10 175.63 2iuu n THR 519 N 5.84 0.94 -2.77 3.92 -1.04 -1.26 -0.52 114.28 119.40 2iuu n THR 519 Ca 0.17 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2iuu n THR 519 Cb 0.44 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.02 2iuu n THR 519 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2iuu s ASP 520 N -5.19 7.18 0.38 8.00 2.15 -1.26 -4.71 116.67 123.21 2iuu s ASP 520 Ca -0.16 1.44 0.15 0.00 0.43 0.00 0.00 52.55 54.41 2iuu s ASP 520 Cb 0.05 -2.52 0.76 0.00 -0.30 0.00 0.00 42.92 40.91 2iuu s ASP 520 CO 0.46 -0.38 1.82 0.24 -0.17 0.00 0.00 175.17 177.14 2iuu h MET 521 N 7.08 0.00 -0.60 4.34 2.86 -1.96 -1.65 114.93 125.01 2iuu h MET 521 Ca -0.33 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 2iuu h MET 521 Cb 1.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2iuu h MET 521 CO 0.83 0.37 0.05 0.87 1.06 0.00 0.00 176.91 180.09 2iuu h LYS 522 N 0.00 1.02 -0.45 1.72 1.79 -1.97 -1.05 116.57 117.63 2iuu h LYS 522 Ca -0.00 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.10 2iuu h LYS 522 Cb 0.68 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 2iuu h LYS 522 CO 0.05 0.98 -0.02 0.93 -1.08 0.00 0.00 179.45 180.31 2iuu h GLU 523 N 0.92 0.75 -0.87 3.15 5.08 -1.73 -2.32 114.58 119.57 2iuu h GLU 523 Ca 0.18 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2iuu h GLU 523 Cb 0.49 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2iuu h GLU 523 CO 0.02 0.77 0.49 0.00 -1.00 0.00 0.00 179.01 179.30 2iuu h ALA 524 N 1.28 1.24 -0.90 3.43 0.00 -0.76 0.68 119.26 124.22 2iuu h ALA 524 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2iuu h ALA 524 Cb 0.45 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2iuu h ALA 524 CO 0.02 0.63 0.50 0.00 0.00 0.00 0.00 179.25 180.40 2iuu h ALA 525 N 1.34 1.17 -0.52 0.00 0.00 -0.67 -1.84 119.26 118.73 2iuu h ALA 525 Ca 0.31 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2iuu h ALA 525 Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2iuu h ALA 525 CO -0.05 0.67 -0.07 -0.91 0.00 0.00 0.00 179.25 178.88 2iuu h ASN 526 N 1.26 0.93 -0.67 0.00 2.35 -0.80 -0.85 115.58 117.81 2iuu h ASN 526 Ca 0.32 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2iuu h ASN 526 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2iuu h ASN 526 CO -0.05 1.03 0.41 0.00 -1.65 0.00 0.00 177.43 177.17 2iuu h ALA 527 N 1.06 1.46 -0.37 -0.83 0.00 -0.34 0.67 119.26 120.90 2iuu h ALA 527 Ca 0.14 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2iuu h ALA 527 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2iuu h ALA 527 CO 0.04 0.48 -0.30 -0.07 0.00 0.00 0.00 179.25 179.40 2iuu h LEU 528 N 0.93 0.90 -0.45 0.00 3.38 -0.82 -0.70 115.31 118.55 2iuu h LEU 528 Ca 0.24 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2iuu h LEU 528 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2iuu h LEU 528 CO -0.05 1.16 0.19 0.03 0.09 0.00 0.00 178.44 179.87 2iuu h ARG 529 N 0.66 0.66 -0.76 1.13 3.08 -0.37 -1.73 114.38 117.05 2iuu h ARG 529 Ca 0.07 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.07 2iuu h ARG 529 Cb 0.88 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 2iuu h ARG 529 CO 0.08 0.59 0.44 2.35 -1.07 0.00 0.00 179.97 182.36 2iuu h TRP 530 N 0.58 0.81 -0.88 3.04 7.01 0.56 -1.56 115.95 125.50 2iuu h TRP 530 Ca 0.15 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2iuu h TRP 530 Cb 0.17 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 2iuu h TRP 530 CO -0.00 0.38 0.46 0.77 -2.79 0.00 0.00 178.44 177.26 2iuu h SER 531 N 0.79 1.12 -0.51 2.65 0.02 -0.63 0.13 113.55 117.12 2iuu h SER 531 Ca 0.34 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2iuu h SER 531 Cb 0.22 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2iuu h SER 531 CO -0.19 0.91 0.25 0.58 -1.14 0.00 0.00 176.83 177.23 2iuu h VAL 532 N 1.24 1.20 -0.14 2.27 2.07 -0.43 0.07 116.25 122.53 2iuu h VAL 532 Ca 0.31 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2iuu h VAL 532 Cb 0.06 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2iuu h VAL 532 CO -0.05 0.22 0.06 0.00 0.02 0.00 0.00 177.57 177.83 2iuu h ALA 533 N 1.09 0.18 -0.30 1.67 0.00 -0.76 -0.37 119.26 120.76 2iuu h ALA 533 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2iuu h ALA 533 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2iuu h ALA 533 CO -0.02 -0.25 0.20 1.49 0.00 0.00 0.00 179.25 180.67 2iuu h GLU 534 N 0.09 0.34 -0.13 0.00 4.57 -0.55 0.21 114.58 119.11 2iuu h GLU 534 Ca 0.05 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2iuu h GLU 534 Cb 0.13 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2iuu h GLU 534 CO -0.01 0.22 -0.06 1.98 -1.18 0.00 0.00 179.01 179.97 2iuu h MET 535 N 0.35 0.27 -0.73 1.92 4.05 -0.37 -1.72 114.93 118.70 2iuu h MET 535 Ca 0.12 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2iuu h MET 535 Cb 0.05 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 2iuu h MET 535 CO -0.03 0.60 0.37 0.93 0.23 0.00 0.00 176.91 179.02 2iuu h GLU 536 N -0.07 1.04 -0.82 0.39 4.39 -0.09 -1.85 114.58 117.57 2iuu h GLU 536 Ca 0.03 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2iuu h GLU 536 Cb 0.52 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2iuu h GLU 536 CO 0.02 0.80 0.36 -0.09 -1.16 0.00 0.00 179.01 178.94 2iuu h ARG 537 N 1.02 1.20 -0.46 2.33 2.43 -0.53 -1.65 114.38 118.71 2iuu h ARG 537 Ca 0.25 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2iuu h ARG 537 Cb 0.09 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2iuu h ARG 537 CO -0.04 0.94 -0.04 0.00 -1.51 0.00 0.00 179.97 179.33 2iuu h ARG 538 N 1.18 0.84 -0.64 0.20 3.08 -0.93 -0.49 114.38 117.61 2iuu h ARG 538 Ca 0.28 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2iuu h ARG 538 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2iuu h ARG 538 CO -0.03 0.91 0.39 1.88 -1.07 0.00 0.00 179.97 182.05 2iuu h TYR 539 N 0.68 0.83 -0.49 3.04 -1.99 -1.10 0.16 116.97 118.11 2iuu h TYR 539 Ca 0.13 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.88 2iuu h TYR 539 Cb 0.55 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 2iuu h TYR 539 CO 0.04 0.56 0.30 0.00 -0.00 0.00 0.00 178.16 179.06 2iuu h ARG 540 N 0.86 0.58 0.65 4.88 3.08 -1.07 -0.79 114.38 122.58 2iuu h ARG 540 Ca 0.23 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2iuu h ARG 540 Cb -0.04 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.89 2iuu h ARG 540 CO -0.04 0.39 -0.31 1.25 -1.07 0.00 0.00 179.97 180.18 2iuu h LEU 541 N 0.60 -0.74 -1.53 3.04 6.46 -0.32 -2.76 115.31 120.05 2iuu h LEU 541 Ca 0.19 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 2iuu h LEU 541 Cb 0.00 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 2iuu h LEU 541 CO -0.08 -0.53 0.41 0.24 -0.62 0.00 0.00 178.44 177.86 2iuu h MET 542 N -0.87 0.55 0.19 1.25 2.86 -0.53 -1.38 114.93 117.00 2iuu h MET 542 Ca -0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2iuu h MET 542 Cb 0.67 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2iuu h MET 542 CO 0.14 0.36 -0.09 0.00 1.06 0.00 0.00 176.91 178.38 2iuu h ALA 543 N 1.67 -0.26 -0.13 6.32 0.00 -0.98 0.28 119.26 126.16 2iuu h ALA 543 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2iuu h ALA 543 Cb 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2iuu h ALA 543 CO -0.08 -0.64 0.09 0.00 0.00 0.00 0.00 179.25 178.62 2iuu h ALA 544 N 0.53 1.96 0.00 0.00 0.00 -1.08 -1.59 119.26 119.08 2iuu h ALA 544 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuu h ALA 544 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2iuu h ALA 544 CO 0.04 0.02 -0.26 0.52 0.00 0.00 0.00 179.25 179.58 2iuu h MET 545 N 0.13 0.00 -1.25 0.00 2.07 -0.62 -3.47 114.93 111.79 2iuu h MET 545 Ca 0.05 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.58 2iuu h MET 545 Cb 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2iuu h MET 545 CO -0.01 0.00 -0.14 0.41 1.07 0.00 0.00 176.91 178.24 2iuu n GLY 546 N 1.30 0.33 3.50 8.32 0.00 -0.05 -5.04 105.19 113.55 2iuu n GLY 546 Ca 0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2iuu n GLY 546 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuu s VAL 547 N -2.56 2.89 -0.18 1.61 1.01 -0.42 -5.05 120.40 117.70 2iuu s VAL 547 Ca 0.05 -1.61 0.22 0.00 0.00 0.00 0.00 61.98 60.64 2iuu s VAL 547 Cb -0.02 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 2iuu s VAL 547 CO 0.06 0.01 0.89 0.54 0.00 0.00 0.00 175.10 176.60 2iuu n ARG 548 N 0.51 0.62 -3.76 2.72 1.74 -1.26 -4.41 116.66 112.82 2iuu n ARG 548 Ca -0.14 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 56.94 2iuu n ARG 548 Cb 0.54 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 2iuu n ARG 548 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2iuu s ASN 549 N -5.13 -0.16 0.32 0.55 2.20 -1.26 -4.87 114.94 106.58 2iuu s ASN 549 Ca -0.03 -0.42 0.11 0.00 -0.94 0.00 0.00 52.86 51.58 2iuu s ASN 549 Cb 0.11 0.49 0.95 0.00 -2.00 0.00 0.00 41.25 40.79 2iuu s ASN 549 CO 0.82 -0.90 1.69 0.25 -2.94 0.00 0.00 177.10 176.02 2iuu h LEU 550 N 2.00 0.55 0.73 3.54 5.85 -1.42 -0.02 115.31 126.53 2iuu h LEU 550 Ca -0.24 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2iuu h LEU 550 Cb 1.23 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2iuu h LEU 550 CO 0.26 -0.02 -0.42 0.00 -0.34 0.00 0.00 178.44 177.92 2iuu h ALA 551 N 1.78 -1.10 -0.63 1.25 0.00 -1.96 -0.32 119.26 118.28 2iuu h ALA 551 Ca 0.67 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2iuu h ALA 551 Cb 1.39 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 2iuu h ALA 551 CO -0.54 -1.13 0.42 0.78 0.00 0.00 0.00 179.25 178.77 2iuu h GLY 552 N -1.07 0.83 1.00 0.00 0.00 -1.59 -1.22 103.07 101.01 2iuu h GLY 552 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2iuu h GLY 552 CO 0.11 0.24 -0.12 -2.75 0.00 0.00 0.00 176.54 174.01 2iuu h PHE 553 N 0.71 -0.32 0.00 5.60 3.57 -0.73 -1.93 116.94 123.84 2iuu h PHE 553 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2iuu h PHE 553 Cb 0.13 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2iuu h PHE 553 CO -0.00 -0.20 -0.06 -0.91 -2.23 0.00 0.00 178.31 174.91 2iuu h ASN 554 N -0.34 0.00 0.33 0.41 -0.26 -0.20 -1.64 115.58 113.89 2iuu h ASN 554 Ca -0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 2iuu h ASN 554 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2iuu h ASN 554 CO 0.05 0.06 -0.16 0.03 -1.06 0.00 0.00 177.43 176.35 2iuu h ARG 555 N 0.00 -0.43 -0.77 0.81 3.08 -0.84 -1.28 114.38 114.96 2iuu h ARG 555 Ca -0.00 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.20 2iuu h ARG 555 Cb 0.14 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.16 2iuu h ARG 555 CO 0.01 -0.10 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.20 2iuu h LYS 556 N -0.92 -0.10 -0.10 0.04 1.63 -0.90 0.34 116.57 116.56 2iuu h LYS 556 Ca -0.05 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.68 2iuu h LYS 556 Cb 0.52 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2iuu h LYS 556 CO 0.07 -0.07 -0.30 -0.24 -3.45 0.00 0.00 179.45 175.47 2iuu h VAL 557 N -0.10 1.25 0.08 2.00 3.04 -1.34 -1.85 116.25 119.32 2iuu h VAL 557 Ca 0.26 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2iuu h VAL 557 Cb 0.56 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2iuu h VAL 557 CO -0.81 0.36 -0.04 0.50 -1.01 0.00 0.00 177.57 176.57 2iuu h LYS 558 N 0.17 -0.10 -0.49 4.17 3.64 0.34 -2.72 116.57 121.58 2iuu h LYS 558 Ca 0.02 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2iuu h LYS 558 Cb 0.62 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 2iuu h LYS 558 CO 0.04 0.44 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.09 2iuu h ASP 559 N -0.74 -0.51 -0.78 4.20 3.32 -0.38 0.11 116.42 121.65 2iuu h ASP 559 Ca -0.01 0.15 0.16 0.00 0.02 0.00 0.00 57.03 57.35 2iuu h ASP 559 Cb 0.59 0.32 -0.11 0.00 0.22 0.00 0.00 39.33 40.35 2iuu h ASP 559 CO 0.02 -0.18 0.28 0.00 -1.72 0.00 0.00 179.24 177.64 2iuu h ALA 560 N 1.45 1.10 -0.26 3.45 0.00 -1.37 0.17 119.26 123.80 2iuu h ALA 560 Ca 0.24 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2iuu h ALA 560 Cb 0.38 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2iuu h ALA 560 CO -0.52 -0.27 -0.47 0.93 0.00 0.00 0.00 179.25 178.93 2iuu h GLU 561 N 0.39 0.70 0.00 0.00 5.08 -0.55 -2.03 114.58 118.16 2iuu h GLU 561 Ca 0.44 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2iuu h GLU 561 Cb 0.74 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2iuu h GLU 561 CO -0.46 1.01 0.00 0.93 -1.00 0.00 0.00 179.01 179.49 2iuu h GLU 562 N 0.56 0.00 -0.66 2.33 5.08 0.52 -2.46 114.58 119.94 2iuu h GLU 562 Ca 0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.13 2iuu h GLU 562 Cb 1.02 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.11 2iuu h GLU 562 CO 0.10 0.00 0.26 0.00 -1.00 0.00 0.00 179.01 178.37 2iuu n ALA 563 N -1.87 4.61 0.00 3.43 0.00 0.46 -4.94 120.51 122.20 2iuu n ALA 563 Ca 0.02 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.78 2iuu n ALA 563 Cb 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2iuu n ALA 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 564 N -0.69 0.00 3.21 0.00 0.00 -0.93 -4.79 105.19 101.99 2iuu n GLY 564 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 2iuu n GLY 564 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2iuu n THR 565 N -1.18 4.45 -1.75 2.61 -1.04 -0.80 -4.95 114.28 111.63 2iuu n THR 565 Ca 0.00 -5.47 -0.39 0.00 -2.04 0.00 0.00 64.05 56.16 2iuu n THR 565 Cb 0.00 -2.43 0.04 0.00 -1.82 0.00 0.00 70.33 66.12 2iuu n THR 565 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2iuu n PRO 566 N 2.27 1.71 -1.83 -2.82 -0.04 -1.17 -4.45 135.00 128.66 2iuu n PRO 566 Ca 0.24 0.63 -0.31 0.00 -0.04 0.00 0.00 63.50 64.02 2iuu n PRO 566 Cb 0.37 -2.59 0.02 0.00 -0.04 0.00 0.00 33.50 31.27 2iuu n PRO 566 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2iuu s LEU 567 N -3.47 3.19 0.07 1.53 1.43 -1.26 -4.97 118.68 115.20 2iuu s LEU 567 Ca 0.72 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 55.31 2iuu s LEU 567 Cb -0.42 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 2iuu s LEU 567 CO 0.49 -0.99 -0.19 0.28 0.23 0.00 0.00 176.35 176.18 2iuu s THR 568 N -3.17 1.54 -0.31 5.49 -1.32 -1.26 -1.50 115.64 115.11 2iuu s THR 568 Ca 0.56 -1.34 -0.37 0.00 -1.21 0.00 0.00 61.69 59.33 2iuu s THR 568 Cb -0.11 -1.39 -0.13 0.00 -1.51 0.00 0.00 72.50 69.36 2iuu s THR 568 CO 0.54 0.00 2.04 -0.67 -2.21 0.00 0.00 174.62 174.32 2iuu n ASP 569 N 1.44 2.30 0.14 8.08 -0.08 -0.44 -4.77 116.55 123.22 2iuu n ASP 569 Ca -0.19 0.66 0.13 0.00 -1.51 0.00 0.00 54.79 53.88 2iuu n ASP 569 Cb 0.54 -1.23 0.41 0.00 2.34 0.00 0.00 41.12 43.18 2iuu n ASP 569 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2iuu h PRO 570 N 10.56 0.00 -0.63 -0.67 0.13 -1.95 -3.04 132.00 136.39 2iuu h PRO 570 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2iuu h PRO 570 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2iuu h PRO 570 CO 1.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 2iuu n LEU 571 N -2.45 3.64 -4.72 1.56 4.77 -1.26 -4.92 117.00 113.61 2iuu n LEU 571 Ca 0.04 -1.84 -0.41 0.00 -0.03 0.00 0.00 56.01 53.77 2iuu n LEU 571 Cb 0.39 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2iuu n LEU 571 CO 0.28 0.58 0.59 0.12 -1.33 0.00 0.00 177.39 177.63 2iuu s PHE 572 N -1.85 3.71 -0.25 -1.77 2.19 -1.15 -5.04 117.98 113.82 2iuu s PHE 572 Ca 0.36 1.62 -0.02 0.00 0.33 0.00 0.00 56.93 59.22 2iuu s PHE 572 Cb 0.24 -2.99 0.03 0.00 -1.31 0.00 0.00 43.02 38.99 2iuu s PHE 572 CO 0.16 0.13 -0.06 -0.98 1.83 0.00 0.00 175.22 176.31 2iuu s ARG 573 N 0.43 2.81 0.23 10.12 1.70 -1.26 -5.06 118.95 127.91 2iuu s ARG 573 Ca 0.45 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.42 2iuu s ARG 573 Cb -0.21 -2.99 -0.10 0.00 -0.57 0.00 0.00 34.95 31.07 2iuu s ARG 573 CO 0.26 -0.41 1.48 1.03 -1.08 0.00 0.00 175.30 176.58 2iuu s ARG 574 N 1.32 4.24 -0.00 3.89 0.52 -1.26 -4.88 118.95 122.78 2iuu s ARG 574 Ca -0.00 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 2iuu s ARG 574 Cb -0.17 -3.12 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2iuu s ARG 574 CO -0.04 -0.48 0.01 0.39 0.02 0.00 0.00 175.30 175.20 2iuu n GLU 575 N 2.77 5.65 -3.81 3.54 1.02 -1.26 -5.03 120.64 123.52 2iuu n GLU 575 Ca 0.09 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 2iuu n GLU 575 Cb 0.40 -0.61 -0.08 0.00 -0.02 0.00 0.00 31.44 31.13 2iuu n GLU 575 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2iuu s SER 576 N -1.22 -0.05 0.60 1.62 0.15 -1.26 -5.02 113.70 108.53 2iuu s SER 576 Ca 0.00 -0.24 0.40 0.00 0.70 0.00 0.00 55.95 56.81 2iuu s SER 576 Cb 0.00 0.31 2.02 0.00 -1.71 0.00 0.00 66.02 66.64 2iuu s SER 576 CO 0.02 -0.54 2.20 -0.65 1.20 0.00 0.00 173.24 175.47 2iuu h PRO 577 N 3.51 0.00 0.03 5.44 0.11 -2.04 -2.69 132.00 136.36 2iuu h PRO 577 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2iuu h PRO 577 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2iuu h PRO 577 CO 0.46 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.79 2iuu h ASP 578 N 0.00 -0.03 -0.63 -2.05 3.45 -2.02 -3.46 116.42 111.68 2iuu h ASP 578 Ca 0.00 -0.70 -0.50 0.00 0.43 0.00 0.00 57.03 56.26 2iuu h ASP 578 Cb 0.15 0.01 0.03 0.00 -0.56 0.00 0.00 39.33 38.96 2iuu h ASP 578 CO 0.00 0.75 0.04 0.47 -1.57 0.00 0.00 179.24 178.94 2iuu n ASP 579 N -4.72 0.01 -4.19 6.45 10.43 -1.02 -4.95 116.55 118.55 2iuu n ASP 579 Ca -0.08 0.73 -0.28 0.00 2.57 0.00 0.00 54.79 57.72 2iuu n ASP 579 Cb 0.35 -0.58 -0.16 0.00 1.84 0.00 0.00 41.12 42.58 2iuu n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2iuu s GLU 580 N 0.03 2.09 -0.05 -1.24 2.02 -1.26 -4.92 118.70 115.37 2iuu s GLU 580 Ca 0.57 -0.74 -0.33 0.00 0.02 0.00 0.00 54.97 54.49 2iuu s GLU 580 Cb -0.80 -1.81 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 2iuu s GLU 580 CO 0.36 0.31 1.88 -2.30 0.02 0.00 0.00 175.26 175.54 2iuu n PRO 581 N 3.03 2.31 -1.96 0.39 -0.02 -1.26 -4.93 135.00 132.55 2iuu n PRO 581 Ca -0.18 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2iuu n PRO 581 Cb 0.53 -2.71 0.04 0.00 -0.02 0.00 0.00 33.50 31.33 2iuu n PRO 581 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2iuu s PRO 582 N 3.97 2.92 0.28 0.52 0.04 -1.26 -4.77 135.00 136.70 2iuu s PRO 582 Ca 0.91 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 2iuu s PRO 582 Cb -0.64 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 2iuu s PRO 582 CO 0.49 -1.23 0.93 -1.14 0.04 0.00 0.00 177.00 176.09 2iuu s GLN 583 N -3.45 4.70 0.27 4.56 0.74 -1.26 -1.33 119.66 123.89 2iuu s GLN 583 Ca 0.76 1.39 -0.29 0.00 0.05 0.00 0.00 55.36 57.26 2iuu s GLN 583 Cb -0.29 -3.03 -0.09 0.00 1.10 0.00 0.00 33.01 30.70 2iuu s GLN 583 CO 0.34 0.40 0.98 -0.51 -0.55 0.00 0.00 175.29 175.95 2iuu s LEU 584 N -1.64 4.55 0.15 3.68 1.43 -0.56 -4.76 118.68 121.54 2iuu s LEU 584 Ca 0.46 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.63 2iuu s LEU 584 Cb -0.22 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 2iuu s LEU 584 CO 0.27 0.02 -0.14 -0.94 0.23 0.00 0.00 176.35 175.79 2iuu s SER 585 N -1.20 2.22 0.39 2.29 1.04 -1.26 -4.76 113.70 112.43 2iuu s SER 585 Ca 0.44 -0.91 -0.27 0.00 0.48 0.00 0.00 55.95 55.69 2iuu s SER 585 Cb -0.26 -0.09 -0.11 0.00 0.10 0.00 0.00 66.02 65.66 2iuu s SER 585 CO 0.33 -0.17 1.43 0.35 0.98 0.00 0.00 173.24 176.16 2iuu n THR 586 N 0.13 2.21 -3.72 2.02 -2.24 -1.26 -4.99 114.28 106.43 2iuu n THR 586 Ca -0.12 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.80 2iuu n THR 586 Cb 0.58 -1.85 -0.06 0.00 -2.10 0.00 0.00 70.33 66.91 2iuu n THR 586 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2iuu s LEU 587 N -1.99 4.39 0.55 3.22 1.43 -1.26 -5.01 118.68 120.01 2iuu s LEU 587 Ca 0.56 0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 54.21 2iuu s LEU 587 Cb -0.49 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2iuu s LEU 587 CO 0.62 0.29 0.92 -2.16 0.23 0.00 0.00 176.35 176.26 2iuu s PRO 588 N -1.48 3.60 -0.04 1.29 0.04 -1.25 -4.89 135.00 132.27 2iuu s PRO 588 Ca 0.24 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 2iuu s PRO 588 Cb -0.14 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2iuu s PRO 588 CO 0.13 -0.40 0.96 0.99 0.04 0.00 0.00 177.00 178.72 2iuu s THR 589 N -2.96 4.86 -0.11 1.26 2.01 0.16 -4.82 115.64 116.04 2iuu s THR 589 Ca 0.52 1.99 -0.12 0.00 0.31 0.00 0.00 61.69 64.39 2iuu s THR 589 Cb -0.11 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2iuu s THR 589 CO 0.49 0.12 0.26 -0.63 -0.69 0.00 0.00 174.62 174.16 2iuu s ILE 590 N 1.34 5.31 -0.09 1.82 -1.09 0.65 -0.41 121.20 128.72 2iuu s ILE 590 Ca 0.49 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 2iuu s ILE 590 Cb -0.20 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2iuu s ILE 590 CO 0.24 0.51 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.63 2iuu s VAL 591 N -0.35 1.30 -0.24 2.92 1.01 -0.15 -0.47 120.40 124.42 2iuu s VAL 591 Ca 0.17 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2iuu s VAL 591 Cb -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2iuu s VAL 591 CO 0.06 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 174.87 2iuu s VAL 592 N 0.99 3.67 -0.13 2.92 1.01 0.59 -1.12 120.40 128.33 2iuu s VAL 592 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2iuu s VAL 592 Cb -0.15 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2iuu s VAL 592 CO -0.01 0.36 -0.19 0.68 0.00 0.00 0.00 175.10 175.94 2iuu s VAL 593 N 1.51 2.43 -0.28 2.92 -7.23 -0.32 -0.79 120.40 118.65 2iuu s VAL 593 Ca 0.05 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 2iuu s VAL 593 Cb -0.15 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.84 2iuu s VAL 593 CO -0.01 0.54 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.63 2iuu s VAL 594 N 0.60 3.15 0.17 1.32 1.01 -0.18 -1.10 120.40 125.36 2iuu s VAL 594 Ca -0.11 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 2iuu s VAL 594 Cb -0.16 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.56 2iuu s VAL 594 CO 0.03 0.03 1.79 -0.78 0.00 0.00 0.00 175.10 176.17 2iuu h ASP 595 N 8.06 0.37 -2.21 3.32 -0.00 -1.50 -1.60 116.42 122.86 2iuu h ASP 595 Ca -0.27 0.01 -0.58 0.00 -0.00 0.00 0.00 57.03 56.20 2iuu h ASP 595 Cb 1.09 -0.06 -0.39 0.00 -0.00 0.00 0.00 39.33 39.97 2iuu h ASP 595 CO 0.56 0.27 -1.00 1.21 -0.00 0.00 0.00 179.24 180.28 2iuu n GLU 596 N -4.87 0.67 0.12 0.28 4.07 -1.22 -4.06 120.64 115.62 2iuu n GLU 596 Ca 0.03 -3.35 0.08 0.00 -0.06 0.00 0.00 57.16 53.85 2iuu n GLU 596 Cb 0.09 -1.51 0.41 0.00 -0.06 0.00 0.00 31.44 30.37 2iuu n GLU 596 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2iuu n PHE 597 N 1.97 0.51 0.12 4.31 1.16 -0.56 -0.47 117.46 124.50 2iuu n PHE 597 Ca 0.25 0.27 -0.03 0.00 -1.87 0.00 0.00 57.45 56.07 2iuu n PHE 597 Cb 0.49 -0.91 0.10 0.00 -1.61 0.00 0.00 39.48 37.56 2iuu n PHE 597 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2iuu h ALA 598 N 1.92 0.82 -0.19 1.98 0.00 -1.94 -1.84 119.26 120.02 2iuu h ALA 598 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 2iuu h ALA 598 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2iuu h ALA 598 CO 0.00 0.87 -0.55 -0.44 0.00 0.00 0.00 179.25 179.13 2iuu h ASP 599 N 0.02 0.62 -0.54 0.00 3.32 -1.16 -1.17 116.42 117.51 2iuu h ASP 599 Ca -0.01 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 2iuu h ASP 599 Cb 1.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2iuu h ASP 599 CO 0.09 1.04 -0.12 -0.03 -1.72 0.00 0.00 179.24 178.51 2iuu h MET 600 N 0.43 1.04 -0.40 3.56 4.05 -1.43 -0.78 114.93 121.39 2iuu h MET 600 Ca 0.01 -0.39 -0.03 0.00 -0.28 0.00 0.00 59.70 59.01 2iuu h MET 600 Cb 1.09 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 2iuu h MET 600 CO 0.10 1.08 0.14 0.52 0.23 0.00 0.00 176.91 178.98 2iuu h MET 601 N 0.91 0.62 -0.20 0.39 2.86 -1.27 -1.05 114.93 117.20 2iuu h MET 601 Ca 0.14 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2iuu h MET 601 Cb 0.69 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2iuu h MET 601 CO 0.05 0.61 0.11 1.98 1.06 0.00 0.00 176.91 180.72 2iuu h MET 602 N 0.51 0.27 -0.10 1.72 -1.53 -0.94 -0.85 114.93 114.00 2iuu h MET 602 Ca 0.13 -0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.31 2iuu h MET 602 Cb 0.24 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.23 2iuu h MET 602 CO -0.01 0.24 -0.16 0.82 0.14 0.00 0.00 176.91 177.94 2iuu h ILE 603 N 0.22 1.38 0.03 1.77 2.04 -1.09 -3.39 117.51 118.47 2iuu h ILE 603 Ca 0.07 -1.40 -0.17 0.00 1.00 0.00 0.00 64.86 64.35 2iuu h ILE 603 Cb 0.04 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2iuu h ILE 603 CO -0.01 0.40 -0.92 0.58 0.00 0.00 0.00 178.15 178.20 2iuu h VAL 604 N -0.15 1.21 0.00 1.67 2.07 -1.24 -3.51 116.25 116.31 2iuu h VAL 604 Ca 0.01 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2iuu h VAL 604 Cb 0.72 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2iuu h VAL 604 CO 0.04 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.73 2iuu n GLY 605 N 1.56 0.30 0.44 2.17 0.00 -0.33 -4.77 105.19 104.56 2iuu n GLY 605 Ca -0.24 -2.28 0.25 0.00 0.00 0.00 0.00 46.02 43.76 2iuu n GLY 605 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2iuu h LYS 606 N 8.91 0.00 0.00 1.61 2.10 -1.97 -1.83 116.57 125.38 2iuu h LYS 606 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2iuu h LYS 606 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2iuu h LYS 606 CO 0.00 0.00 -0.19 0.87 -2.00 0.00 0.00 179.45 178.13 2iuu h LYS 607 N 0.00 0.00 0.02 0.07 1.57 -1.96 -2.50 116.57 113.78 2iuu h LYS 607 Ca 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2iuu h LYS 607 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.91 2iuu h LYS 607 CO -0.00 0.19 -0.01 0.28 -0.57 0.00 0.00 179.45 179.34 2iuu h VAL 608 N 0.00 1.14 -0.51 0.50 2.07 -1.68 -0.67 116.25 117.10 2iuu h VAL 608 Ca -0.00 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2iuu h VAL 608 Cb 0.47 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2iuu h VAL 608 CO 0.03 0.13 0.27 -0.08 0.02 0.00 0.00 177.57 177.94 2iuu h GLU 609 N -0.26 0.51 -0.58 1.57 4.81 -1.66 -0.20 114.58 118.78 2iuu h GLU 609 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2iuu h GLU 609 Cb 0.24 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2iuu h GLU 609 CO 0.01 0.34 0.27 0.93 -0.73 0.00 0.00 179.01 179.83 2iuu h GLU 610 N 0.53 0.83 -0.24 1.92 5.08 -1.31 -1.25 114.58 120.14 2iuu h GLU 610 Ca 0.22 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2iuu h GLU 610 Cb 0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2iuu h GLU 610 CO -0.14 0.68 0.08 -0.07 -1.00 0.00 0.00 179.01 178.56 2iuu h LEU 611 N 0.79 0.34 -0.51 1.33 3.38 -0.69 -1.18 115.31 118.76 2iuu h LEU 611 Ca 0.20 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2iuu h LEU 611 Cb 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2iuu h LEU 611 CO -0.02 0.45 0.12 0.40 0.09 0.00 0.00 178.44 179.47 2iuu h ILE 612 N 0.22 0.73 -0.69 1.22 1.08 -0.77 0.48 117.51 119.78 2iuu h ILE 612 Ca 0.08 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2iuu h ILE 612 Cb 0.23 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 2iuu h ILE 612 CO -0.00 0.05 0.30 0.00 -0.69 0.00 0.00 178.15 177.81 2iuu h ALA 613 N 1.39 1.23 -0.30 1.87 0.00 -1.00 0.82 119.26 123.27 2iuu h ALA 613 Ca 0.26 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2iuu h ALA 613 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2iuu h ALA 613 CO -0.32 0.57 -0.28 -0.09 0.00 0.00 0.00 179.25 179.13 2iuu h ARG 614 N 0.99 0.71 0.49 0.00 2.43 -0.28 -1.84 114.38 116.87 2iuu h ARG 614 Ca 0.24 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2iuu h ARG 614 Cb 0.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2iuu h ARG 614 CO -0.03 0.99 -0.23 0.82 -1.51 0.00 0.00 179.97 180.01 2iuu h ILE 615 N 0.46 0.47 0.00 1.20 1.08 -0.57 -3.17 117.51 116.99 2iuu h ILE 615 Ca 0.05 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2iuu h ILE 615 Cb 0.85 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2iuu h ILE 615 CO 0.07 0.05 -0.00 0.00 -0.69 0.00 0.00 178.15 177.57 2iuu h ALA 616 N -0.43 1.05 0.00 1.87 0.00 -0.87 0.22 119.26 121.10 2iuu h ALA 616 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2iuu h ALA 616 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2iuu h ALA 616 CO 0.11 0.01 -0.50 0.37 0.00 0.00 0.00 179.25 179.23 2iuu h GLN 617 N 0.00 0.00 0.00 0.00 -0.00 -1.30 -3.42 115.11 110.40 2iuu h GLN 617 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2iuu h GLN 617 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.56 2iuu h GLN 617 CO 0.00 0.00 -0.20 1.17 0.00 0.00 0.00 178.83 179.80 2iuu n LYS 618 N -2.80 4.68 0.09 1.69 4.81 -1.01 -4.93 118.16 120.69 2iuu n LYS 618 Ca 0.02 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.61 2iuu n LYS 618 Cb 0.53 -0.59 0.65 0.00 0.02 0.00 0.00 35.03 35.64 2iuu n LYS 618 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2iuu h ALA 619 N 0.00 2.25 -0.01 3.14 0.00 -0.80 -3.37 119.26 120.47 2iuu h ALA 619 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2iuu h ALA 619 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2iuu h ALA 619 CO 0.00 -0.34 -0.01 -0.09 0.00 0.00 0.00 179.25 178.81 2iuu h ARG 620 N 0.05 -0.00 -0.92 0.00 2.43 -1.82 -1.29 114.38 112.83 2iuu h ARG 620 Ca 0.16 0.00 0.27 0.00 -0.81 0.00 0.00 59.98 59.59 2iuu h ARG 620 Cb 0.57 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 2iuu h ARG 620 CO -0.01 -0.00 0.66 0.00 -1.51 0.00 0.00 179.97 179.11 2iuu h ALA 621 N -1.01 2.87 0.00 2.80 0.00 -1.90 0.87 119.26 122.88 2iuu h ALA 621 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuu h ALA 621 Cb 0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2iuu h ALA 621 CO -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 179.25 178.11 2iuu n ALA 622 N -2.72 2.27 -0.87 0.00 0.00 -0.51 -1.19 120.51 117.49 2iuu n ALA 622 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2iuu n ALA 622 Cb 0.98 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2iuu n ALA 622 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 623 N 1.27 0.54 3.42 0.00 0.00 0.30 -4.66 105.19 106.07 2iuu n GLY 623 Ca 0.08 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2iuu n GLY 623 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iuu s ILE 624 N -2.00 3.61 0.04 -0.61 1.09 -1.16 -0.26 121.20 121.91 2iuu s ILE 624 Ca 0.00 -0.45 0.05 0.00 -1.10 0.00 0.00 60.65 59.15 2iuu s ILE 624 Cb 0.00 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.79 2iuu s ILE 624 CO 0.00 0.48 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.17 2iuu s HIS 625 N 0.68 1.28 -0.12 3.97 3.76 0.38 -4.03 115.29 121.20 2iuu s HIS 625 Ca -0.03 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.47 2iuu s HIS 625 Cb -0.15 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 2iuu s HIS 625 CO 0.02 0.04 0.07 -0.51 -0.85 0.00 0.00 174.74 173.51 2iuu s LEU 626 N -1.14 3.95 -0.26 0.89 1.02 -1.26 -0.30 118.68 121.57 2iuu s LEU 626 Ca 0.02 0.25 -0.00 0.00 0.02 0.00 0.00 54.13 54.43 2iuu s LEU 626 Cb -0.08 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.26 2iuu s LEU 626 CO 0.01 0.34 0.02 -0.63 0.02 0.00 0.00 176.35 176.12 2iuu s ILE 627 N -0.64 1.22 -0.18 -0.59 -1.09 0.03 -0.23 121.20 119.73 2iuu s ILE 627 Ca 0.11 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.23 2iuu s ILE 627 Cb -0.12 -1.72 -0.00 0.00 -1.58 0.00 0.00 42.46 39.04 2iuu s ILE 627 CO 0.02 -0.37 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.49 2iuu s LEU 628 N 1.49 2.60 0.17 2.97 1.43 0.23 -1.01 118.68 126.55 2iuu s LEU 628 Ca 0.02 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2iuu s LEU 628 Cb -0.18 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2iuu s LEU 628 CO -0.13 0.04 -0.24 0.00 0.23 0.00 0.00 176.35 176.25 2iuu s ALA 629 N 1.10 2.41 0.10 4.21 0.00 -0.60 0.39 121.76 129.37 2iuu s ALA 629 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 51.96 50.16 2iuu s ALA 629 Cb -0.14 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.71 2iuu s ALA 629 CO -0.03 0.44 0.59 -0.08 0.00 0.00 0.00 175.76 176.68 2iuu s THR 630 N -1.50 0.01 -1.54 0.00 -1.32 -0.15 -1.49 115.64 109.65 2iuu s THR 630 Ca 0.18 -0.09 0.14 0.00 -1.21 0.00 0.00 61.69 60.71 2iuu s THR 630 Cb -0.08 -1.01 0.06 0.00 -1.51 0.00 0.00 72.50 69.96 2iuu s THR 630 CO 0.08 -0.05 0.87 0.00 -2.21 0.00 0.00 174.62 173.31 2iuu n GLN 631 N 0.01 1.38 -3.26 7.08 6.02 -1.26 -2.07 117.38 125.28 2iuu n GLN 631 Ca -0.18 -1.07 -0.32 0.00 -0.01 0.00 0.00 57.00 55.43 2iuu n GLN 631 Cb 0.63 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.60 2iuu n GLN 631 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2iuu n ARG 632 N 0.36 3.18 -2.01 -1.09 1.74 -1.26 -4.34 116.66 113.25 2iuu n ARG 632 Ca 0.07 -4.66 -0.33 0.00 -0.77 0.00 0.00 57.85 52.17 2iuu n ARG 632 Cb 0.33 -2.33 -0.05 0.00 -1.02 0.00 0.00 32.46 29.38 2iuu n ARG 632 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2iuu n PRO 633 N 0.89 1.86 -4.57 5.56 -0.02 -1.26 -4.66 135.00 132.81 2iuu n PRO 633 Ca 0.29 -2.51 -0.27 0.00 -2.02 0.00 0.00 63.50 58.99 2iuu n PRO 633 Cb 0.38 -3.57 -0.11 0.00 -0.02 0.00 0.00 33.50 30.18 2iuu n PRO 633 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iuu s SER 634 N 5.84 3.84 0.50 2.55 1.04 -1.26 -4.63 113.70 121.58 2iuu s SER 634 Ca 0.64 -1.28 0.17 0.00 0.48 0.00 0.00 55.95 55.96 2iuu s SER 634 Cb 0.03 -0.38 1.23 0.00 0.10 0.00 0.00 66.02 66.99 2iuu s SER 634 CO 0.12 -0.34 2.11 0.58 0.98 0.00 0.00 173.24 176.69 2iuu h VAL 635 N 1.87 0.99 -0.02 5.02 2.07 -1.91 0.11 116.25 124.39 2iuu h VAL 635 Ca -0.43 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.73 2iuu h VAL 635 Cb 1.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2iuu h VAL 635 CO 0.76 0.06 -0.66 0.44 0.02 0.00 0.00 177.57 178.18 2iuu h ASP 636 N 0.00 0.08 0.00 0.57 3.45 -1.95 -3.33 116.42 115.24 2iuu h ASP 636 Ca -0.00 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 2iuu h ASP 636 Cb 0.11 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2iuu h ASP 636 CO 0.01 0.72 -0.66 0.52 -1.57 0.00 0.00 179.24 178.26 2iuu n VAL 637 N -3.78 1.44 -2.70 -1.35 0.31 -0.63 -4.57 118.33 107.05 2iuu n VAL 637 Ca -0.02 0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 2iuu n VAL 637 Cb 0.65 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 2iuu n VAL 637 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2iuu n ILE 638 N -4.57 4.14 -1.98 2.52 5.41 0.30 -4.92 119.36 120.27 2iuu n ILE 638 Ca -0.10 -4.42 -0.28 0.00 1.00 0.00 0.00 62.75 58.95 2iuu n ILE 638 Cb 0.34 -2.43 0.10 0.00 -0.71 0.00 0.00 39.64 36.94 2iuu n ILE 638 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2iuu s THR 639 N 2.21 2.06 0.21 1.39 -4.23 -1.25 -4.68 115.64 111.35 2iuu s THR 639 Ca 0.46 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 2iuu s THR 639 Cb 0.02 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 71.02 2iuu s THR 639 CO 0.02 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.17 2iuu h GLY 640 N -1.04 1.06 0.96 3.99 0.00 -1.93 0.38 103.07 106.49 2iuu h GLY 640 Ca -0.45 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2iuu h GLY 640 CO 0.60 0.27 -0.00 1.41 0.00 0.00 0.00 176.54 178.83 2iuu h LEU 641 N 0.87 -0.00 -0.31 3.11 3.38 -1.95 0.41 115.31 120.81 2iuu h LEU 641 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2iuu h LEU 641 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2iuu h LEU 641 CO -0.12 0.04 0.20 0.40 0.09 0.00 0.00 178.44 179.04 2iuu h ILE 642 N -0.04 1.09 -0.22 1.22 1.08 -1.70 -2.99 117.51 115.96 2iuu h ILE 642 Ca -0.00 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.15 2iuu h ILE 642 Cb 0.04 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2iuu h ILE 642 CO 0.00 0.09 -0.36 0.11 -0.69 0.00 0.00 178.15 177.31 2iuu h LYS 643 N 0.41 0.49 -0.35 2.37 1.57 -0.08 -3.37 116.57 117.60 2iuu h LYS 643 Ca 0.11 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2iuu h LYS 643 Cb -0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2iuu h LYS 643 CO -0.02 0.78 -0.18 0.00 -0.57 0.00 0.00 179.45 179.45 2iuu n ALA 644 N -2.49 -0.16 -1.92 3.86 0.00 0.14 -1.53 120.51 118.41 2iuu n ALA 644 Ca -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 2iuu n ALA 644 Cb 0.48 -0.08 0.11 0.00 0.00 0.00 0.00 19.45 19.95 2iuu n ALA 644 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2iuu n ASN 645 N -4.46 2.82 -3.53 0.00 4.13 -1.26 -4.79 115.26 108.17 2iuu n ASN 645 Ca 0.02 -3.56 -0.27 0.00 1.68 0.00 0.00 54.58 52.45 2iuu n ASN 645 Cb 0.11 -0.44 -0.09 0.00 -1.54 0.00 0.00 39.78 37.82 2iuu n ASN 645 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2iuu n ILE 646 N -0.79 1.10 0.28 2.41 5.41 -0.58 -4.74 119.36 122.44 2iuu n ILE 646 Ca 0.26 -4.64 0.16 0.00 1.00 0.00 0.00 62.75 59.53 2iuu n ILE 646 Cb 0.84 -2.04 0.74 0.00 -0.71 0.00 0.00 39.64 38.47 2iuu n ILE 646 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2iuu h PRO 647 N 4.75 0.00 -5.64 0.38 0.13 -1.82 -3.44 132.00 126.36 2iuu h PRO 647 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.72 2iuu h PRO 647 Cb 0.76 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.80 2iuu h PRO 647 CO 0.67 0.06 -0.07 0.99 -0.23 0.00 0.00 178.00 179.42 2iuu s THR 648 N -3.84 5.14 -0.01 1.56 2.01 -1.26 -4.21 115.64 115.03 2iuu s THR 648 Ca -0.01 0.97 0.05 0.00 0.31 0.00 0.00 61.69 63.01 2iuu s THR 648 Cb 0.11 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 2iuu s THR 648 CO 0.55 0.24 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.43 2iuu s ARG 649 N 1.20 1.21 -0.08 4.92 1.81 -0.63 -2.41 118.95 124.98 2iuu s ARG 649 Ca 0.25 -0.56 0.04 0.00 -1.72 0.00 0.00 55.73 53.74 2iuu s ARG 649 Cb -0.15 -1.18 0.00 0.00 -0.45 0.00 0.00 34.95 33.17 2iuu s ARG 649 CO 0.10 0.32 -0.20 0.42 -0.68 0.00 0.00 175.30 175.27 2iuu s ILE 650 N -0.39 1.68 -0.10 1.52 1.09 -0.25 0.18 121.20 124.93 2iuu s ILE 650 Ca 0.06 -0.82 -0.01 0.00 -1.10 0.00 0.00 60.65 58.78 2iuu s ILE 650 Cb -0.06 -1.47 0.03 0.00 -1.06 0.00 0.00 42.46 39.90 2iuu s ILE 650 CO -0.00 0.48 -0.05 0.00 -0.10 0.00 0.00 174.94 175.26 2iuu s ALA 651 N 0.32 1.12 0.61 9.38 0.00 -0.17 -2.23 121.76 130.79 2iuu s ALA 651 Ca -0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 2iuu s ALA 651 Cb -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2iuu s ALA 651 CO 0.06 -0.39 0.06 1.19 0.00 0.00 0.00 175.76 176.67 2iuu n PHE 652 N 4.92 -3.58 -1.86 0.00 3.72 0.46 -0.63 117.46 120.49 2iuu n PHE 652 Ca -0.12 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 2iuu n PHE 652 Cb 0.50 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 2iuu n PHE 652 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2iuu s GLN 653 N -2.74 4.18 0.29 -1.08 0.74 -1.24 -4.69 119.66 115.12 2iuu s GLN 653 Ca 0.04 2.47 0.10 0.00 0.05 0.00 0.00 55.36 58.01 2iuu s GLN 653 Cb -0.00 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.98 2iuu s GLN 653 CO 0.02 -0.58 -0.13 0.14 -0.55 0.00 0.00 175.29 174.20 2iuu s VAL 654 N 0.25 2.14 0.37 1.34 -7.23 -1.10 -1.80 120.40 114.37 2iuu s VAL 654 Ca 0.64 -2.26 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2iuu s VAL 654 Cb -0.46 -2.42 0.16 0.00 0.56 0.00 0.00 36.38 34.22 2iuu s VAL 654 CO 0.43 -0.33 1.90 0.28 -0.31 0.00 0.00 175.10 177.07 2iuu h SER 655 N 2.22 0.30 -5.13 4.85 0.02 -1.93 -3.38 113.55 110.50 2iuu h SER 655 Ca -0.40 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2iuu h SER 655 Cb 1.25 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 2iuu h SER 655 CO 0.65 0.44 0.02 -0.94 -1.14 0.00 0.00 176.83 175.86 2iuu s SER 656 N -6.84 -0.18 0.32 3.07 1.04 -1.26 -4.99 113.70 104.86 2iuu s SER 656 Ca -0.06 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2iuu s SER 656 Cb 0.15 0.63 0.59 0.00 0.10 0.00 0.00 66.02 67.49 2iuu s SER 656 CO 0.74 -1.19 1.93 0.11 0.98 0.00 0.00 173.24 175.82 2iuu h LYS 657 N 2.16 0.92 0.24 4.02 1.57 -1.96 0.18 116.57 123.71 2iuu h LYS 657 Ca -0.24 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2iuu h LYS 657 Cb 1.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2iuu h LYS 657 CO 0.32 0.61 -0.22 0.82 -0.57 0.00 0.00 179.45 180.41 2iuu h ILE 658 N 0.95 0.53 -0.68 1.86 5.03 -1.96 0.69 117.51 123.93 2iuu h ILE 658 Ca 0.36 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.18 2iuu h ILE 658 Cb 0.18 0.53 -0.07 0.00 -3.03 0.00 0.00 36.82 34.44 2iuu h ILE 658 CO -0.12 0.00 0.34 0.44 -0.68 0.00 0.00 178.15 178.13 2iuu h ASP 659 N -0.48 0.45 -0.70 1.72 3.45 -1.42 -1.55 116.42 117.89 2iuu h ASP 659 Ca -0.01 0.06 0.06 0.00 0.43 0.00 0.00 57.03 57.57 2iuu h ASP 659 Cb 0.44 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.13 2iuu h ASP 659 CO -0.04 0.27 0.40 -1.28 -1.57 0.00 0.00 179.24 177.02 2iuu h SER 660 N 0.59 0.60 -0.07 6.45 0.87 0.01 -1.78 113.55 120.22 2iuu h SER 660 Ca 0.33 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2iuu h SER 660 Cb 0.32 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2iuu h SER 660 CO -0.25 0.39 -0.18 0.03 -0.53 0.00 0.00 176.83 176.29 2iuu h ARG 661 N 0.74 0.44 -0.97 2.24 3.08 0.06 0.25 114.38 120.22 2iuu h ARG 661 Ca 0.31 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.27 2iuu h ARG 661 Cb 0.18 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 2iuu h ARG 661 CO -0.18 0.61 0.62 1.15 -1.07 0.00 0.00 179.97 181.10 2iuu h THR 662 N 0.40 1.12 0.05 2.04 2.02 -0.52 0.61 112.91 118.63 2iuu h THR 662 Ca 0.07 -0.40 -0.37 0.00 0.77 0.00 0.00 66.41 66.48 2iuu h THR 662 Cb 0.54 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 2iuu h THR 662 CO 0.04 0.21 -2.24 0.00 0.37 0.00 0.00 175.52 173.90 2iuu n ILE 663 N -4.50 1.60 0.84 3.11 0.00 -1.12 -4.57 119.36 114.71 2iuu n ILE 663 Ca 0.14 -0.65 0.09 0.00 0.00 0.00 0.00 62.75 62.32 2iuu n ILE 663 Cb 0.14 -1.41 -0.08 0.00 0.00 0.00 0.00 39.64 38.28 2iuu n ILE 663 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2iuu n LEU 664 N -3.27 1.00 -3.47 9.51 4.77 0.85 -4.86 117.00 121.53 2iuu n LEU 664 Ca -0.37 -0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 54.85 2iuu n LEU 664 Cb 1.03 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.20 2iuu n LEU 664 CO 0.35 0.23 0.21 0.47 -1.33 0.00 0.00 177.39 177.32 2iuu n ASP 665 N -1.19 -5.22 0.00 -1.43 10.43 0.21 -4.94 116.55 114.40 2iuu n ASP 665 Ca 0.04 -0.54 0.00 0.00 2.57 0.00 0.00 54.79 56.86 2iuu n ASP 665 Cb 0.30 -4.92 0.00 0.00 1.84 0.00 0.00 41.12 38.34 2iuu n ASP 665 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 2iuu n GLN 666 N -4.67 0.00 -1.66 -1.24 7.27 -1.25 -4.96 117.38 110.87 2iuu n GLN 666 Ca -0.06 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.71 2iuu n GLN 666 Cb 0.58 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.32 2iuu n GLN 666 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2iuu s GLY 667 N 0.00 1.61 0.00 1.69 0.00 -1.26 -3.08 107.32 106.28 2iuu s GLY 667 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2iuu s GLY 667 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82 2iuu n GLY 668 N -2.44 3.87 0.34 0.20 0.00 -1.26 -4.96 105.19 100.94 2iuu n GLY 668 Ca 0.07 -0.72 0.17 0.00 0.00 0.00 0.00 46.02 45.54 2iuu n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu h ALA 669 N 0.00 1.26 0.00 4.61 0.00 -1.89 0.32 119.26 123.56 2iuu h ALA 669 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2iuu h ALA 669 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 669 CO 0.00 -0.26 -0.10 1.05 0.00 0.00 0.00 179.25 179.94 2iuu h GLU 670 N 0.00 0.00 -0.01 0.00 9.09 -1.82 -2.80 114.58 119.05 2iuu h GLU 670 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2iuu h GLU 670 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2iuu h GLU 670 CO -0.00 0.10 -0.01 1.04 0.05 0.00 0.00 179.01 180.18 2iuu n GLN 671 N -3.19 1.38 -1.46 1.06 1.13 0.11 -4.78 117.38 111.63 2iuu n GLN 671 Ca 0.01 -0.62 -0.32 0.00 -1.94 0.00 0.00 57.00 54.14 2iuu n GLN 671 Cb 0.42 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.36 2iuu n GLN 671 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2iuu s LEU 672 N -2.04 3.17 0.00 1.08 1.43 -1.07 -4.82 118.68 116.42 2iuu s LEU 672 Ca 0.40 1.87 0.24 0.00 -1.03 0.00 0.00 54.13 55.61 2iuu s LEU 672 Cb 0.21 -4.53 0.72 0.00 0.03 0.00 0.00 46.19 42.63 2iuu s LEU 672 CO 0.36 -1.85 1.55 0.18 0.23 0.00 0.00 176.35 176.82 2iuu n LEU 673 N -3.09 2.03 0.00 1.79 4.77 -1.26 -4.87 117.00 116.37 2iuu n LEU 673 Ca 0.09 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2iuu n LEU 673 Cb 0.53 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2iuu n LEU 673 CO 0.51 0.39 -0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2iuu n GLY 674 N 1.22 -2.14 4.00 -0.72 0.00 -1.26 -4.92 105.19 101.38 2iuu n GLY 674 Ca 0.17 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 2iuu n GLY 674 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2iuu n HIS 675 N -0.52 -1.59 -0.37 1.61 8.25 -1.00 -2.00 115.22 119.60 2iuu n HIS 675 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 2iuu n HIS 675 Cb 0.01 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 27.64 2iuu n HIS 675 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iuu n GLY 676 N -2.07 1.19 3.70 -1.41 0.00 0.72 -4.77 105.19 102.56 2iuu n GLY 676 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2iuu n GLY 676 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iuu s ASP 677 N -3.08 6.92 0.16 1.61 3.68 -0.85 0.25 116.67 125.37 2iuu s ASP 677 Ca 0.00 2.14 -0.04 0.00 2.13 0.00 0.00 52.55 56.78 2iuu s ASP 677 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.87 2iuu s ASP 677 CO 0.00 -0.62 0.17 0.00 0.13 0.00 0.00 175.17 174.85 2iuu s MET 678 N 1.55 1.10 -0.22 4.34 0.23 0.15 -3.69 119.30 122.76 2iuu s MET 678 Ca 0.62 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.90 2iuu s MET 678 Cb -0.32 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.32 2iuu s MET 678 CO 0.28 -0.36 -0.15 -0.51 -2.03 0.00 0.00 175.02 172.25 2iuu s LEU 679 N -3.05 2.77 -0.26 0.18 1.43 0.20 -0.75 118.68 119.20 2iuu s LEU 679 Ca 0.25 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 2iuu s LEU 679 Cb 0.06 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2iuu s LEU 679 CO 0.04 -0.10 0.24 -0.47 0.23 0.00 0.00 176.35 176.29 2iuu s TYR 680 N 1.21 3.27 -0.47 0.29 5.04 0.48 -1.00 117.35 126.15 2iuu s TYR 680 Ca -0.02 0.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 2iuu s TYR 680 Cb -0.17 -2.41 0.12 0.00 0.35 0.00 0.00 41.96 39.86 2iuu s TYR 680 CO -0.09 -0.10 0.21 -1.17 -1.34 0.00 0.00 175.55 173.06 2iuu s LEU 681 N 1.59 4.41 0.91 6.97 2.96 0.13 0.61 118.68 136.26 2iuu s LEU 681 Ca 0.10 -2.79 -0.12 0.00 -0.22 0.00 0.00 54.13 51.10 2iuu s LEU 681 Cb -0.15 -1.63 0.14 0.00 0.50 0.00 0.00 46.19 45.05 2iuu s LEU 681 CO 0.09 -0.27 1.10 -2.16 -1.32 0.00 0.00 176.35 173.79 2iuu s PRO 682 N 0.02 1.11 0.63 0.98 0.04 -1.26 -1.60 135.00 134.92 2iuu s PRO 682 Ca 0.15 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.64 2iuu s PRO 682 Cb -0.24 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2iuu s PRO 682 CO -0.02 -2.29 1.28 -0.35 0.04 0.00 0.00 177.00 175.65 2iuu n PRO 683 N -3.89 1.17 0.00 0.56 -0.04 -1.26 -4.87 135.00 126.67 2iuu n PRO 683 Ca 0.06 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2iuu n PRO 683 Cb 0.57 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2iuu n PRO 683 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iuu n GLY 684 N 0.93 -3.28 3.34 0.55 0.00 -1.26 -4.94 105.19 100.54 2iuu n GLY 684 Ca 0.15 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2iuu n GLY 684 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuu s THR 685 N -0.86 1.23 0.00 2.61 2.01 -1.26 -4.95 115.64 114.42 2iuu s THR 685 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2iuu s THR 685 Cb 0.00 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 2iuu s THR 685 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2iuu n GLY 686 N 1.01 3.11 3.76 4.40 0.00 -1.26 -5.03 105.19 111.19 2iuu n GLY 686 Ca 0.13 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2iuu n GLY 686 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuu s LEU 687 N 0.00 4.46 0.67 0.99 1.43 -1.26 -4.97 118.68 120.00 2iuu s LEU 687 Ca 0.00 2.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 2iuu s LEU 687 Cb 0.00 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2iuu s LEU 687 CO 0.00 -0.32 1.04 -0.81 0.23 0.00 0.00 176.35 176.48 2iuu n PRO 688 N 0.90 0.75 -3.47 1.29 -0.04 -1.26 -4.95 135.00 128.21 2iuu n PRO 688 Ca 0.00 0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 63.38 2iuu n PRO 688 Cb 0.44 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.53 2iuu n PRO 688 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iuu s ILE 689 N -1.63 5.23 0.11 0.52 -1.09 0.20 -4.85 121.20 119.69 2iuu s ILE 689 Ca 0.76 0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 2iuu s ILE 689 Cb -0.37 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 2iuu s ILE 689 CO 0.47 0.16 1.22 -0.60 -1.23 0.00 0.00 174.94 174.96 2iuu s ARG 690 N 1.93 4.44 -0.02 2.79 3.52 -1.26 -0.39 118.95 129.96 2iuu s ARG 690 Ca 0.11 1.84 0.01 0.00 -0.13 0.00 0.00 55.73 57.57 2iuu s ARG 690 Cb -0.16 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2iuu s ARG 690 CO 0.11 -0.22 -0.04 0.08 -0.81 0.00 0.00 175.30 174.42 2iuu s VAL 691 N 0.71 0.37 -0.57 7.11 1.01 0.07 -3.80 120.40 125.31 2iuu s VAL 691 Ca 0.58 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2iuu s VAL 691 Cb -0.31 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 35.80 2iuu s VAL 691 CO 0.32 0.14 0.65 -1.00 0.00 0.00 0.00 175.10 175.21 2iuu s HIS 692 N 0.40 3.05 0.36 5.22 0.09 0.96 -0.68 115.29 124.69 2iuu s HIS 692 Ca -0.04 -0.96 -0.26 0.00 -0.00 0.00 0.00 55.06 53.80 2iuu s HIS 692 Cb -0.08 -3.89 -0.12 0.00 -0.00 0.00 0.00 32.58 28.49 2iuu s HIS 692 CO -0.00 -1.20 0.95 0.41 -0.00 0.00 0.00 174.74 174.89 2iuu n GLY 693 N 5.26 -0.40 3.80 -2.22 0.00 0.14 -1.82 105.19 109.95 2iuu n GLY 693 Ca -0.10 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2iuu n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 694 N -1.20 3.03 -0.13 4.61 0.00 -1.10 -4.72 121.76 122.26 2iuu s ALA 694 Ca 0.61 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2iuu s ALA 694 Cb -0.63 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 2iuu s ALA 694 CO 0.58 -0.10 0.40 0.12 0.00 0.00 0.00 175.76 176.76 2iuu s PHE 695 N -1.89 3.51 -0.09 0.00 5.36 0.16 -4.78 117.98 120.25 2iuu s PHE 695 Ca 0.61 0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 57.34 2iuu s PHE 695 Cb -0.16 -2.45 0.03 0.00 -0.34 0.00 0.00 43.02 40.10 2iuu s PHE 695 CO 0.21 0.23 -0.04 0.54 -1.46 0.00 0.00 175.22 174.70 2iuu s VAL 696 N 0.44 0.71 0.71 3.12 0.11 -1.26 -2.25 120.40 121.97 2iuu s VAL 696 Ca 0.22 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2iuu s VAL 696 Cb -0.14 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2iuu s VAL 696 CO 0.08 0.31 1.07 -0.94 -3.33 0.00 0.00 175.10 172.29 2iuu s SER 697 N 1.80 5.37 0.56 3.54 1.04 -1.26 -4.92 113.70 119.82 2iuu s SER 697 Ca 0.04 1.40 0.33 0.00 0.48 0.00 0.00 55.95 58.20 2iuu s SER 697 Cb -0.12 -2.27 1.63 0.00 0.10 0.00 0.00 66.02 65.35 2iuu s SER 697 CO -0.06 -1.42 2.10 0.44 0.98 0.00 0.00 173.24 175.28 2iuu h ASP 698 N -0.71 0.00 0.06 7.02 3.45 -2.00 -2.01 116.42 122.23 2iuu h ASP 698 Ca -0.45 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 2iuu h ASP 698 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2iuu h ASP 698 CO 0.60 0.06 -0.03 0.44 -1.57 0.00 0.00 179.24 178.75 2iuu h ASP 699 N 0.00 -0.06 -0.96 6.45 3.45 -1.98 0.79 116.42 124.11 2iuu h ASP 699 Ca -0.00 -0.56 0.15 0.00 0.43 0.00 0.00 57.03 57.05 2iuu h ASP 699 Cb 0.33 0.02 -0.08 0.00 -0.56 0.00 0.00 39.33 39.03 2iuu h ASP 699 CO 0.01 0.57 0.61 -0.33 -1.57 0.00 0.00 179.24 178.53 2iuu h GLU 700 N -0.75 0.78 0.26 3.56 5.08 -1.76 0.36 114.58 122.12 2iuu h GLU 700 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2iuu h GLU 700 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2iuu h GLU 700 CO 0.01 0.52 -0.13 0.28 -1.00 0.00 0.00 179.01 178.70 2iuu h VAL 701 N 0.81 0.67 -1.01 3.13 2.07 -1.34 -2.05 116.25 118.53 2iuu h VAL 701 Ca 0.50 -0.84 0.24 0.00 0.82 0.00 0.00 66.70 67.42 2iuu h VAL 701 Cb 0.71 1.06 -0.12 0.00 -1.52 0.00 0.00 31.29 31.41 2iuu h VAL 701 CO -0.27 0.15 0.60 -0.74 0.02 0.00 0.00 177.57 177.33 2iuu h HIS 702 N -0.86 1.00 0.36 1.57 -0.00 -0.23 -0.06 115.15 116.93 2iuu h HIS 702 Ca -0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2iuu h HIS 702 Cb 0.51 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2iuu h HIS 702 CO 0.05 0.09 -0.17 -0.09 -0.00 0.00 0.00 177.93 177.81 2iuu h ARG 703 N 0.60 -0.47 -0.13 5.26 2.43 -0.24 -2.26 114.38 119.57 2iuu h ARG 703 Ca 0.63 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.82 2iuu h ARG 703 Cb 1.19 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2iuu h ARG 703 CO -0.45 -0.21 0.04 0.28 -1.51 0.00 0.00 179.97 178.12 2iuu h VAL 704 N -0.68 1.07 0.29 0.20 2.07 -0.52 -1.15 116.25 117.53 2iuu h VAL 704 Ca -0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2iuu h VAL 704 Cb 0.48 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2iuu h VAL 704 CO 0.08 0.08 -0.14 0.58 0.02 0.00 0.00 177.57 178.19 2iuu h VAL 705 N 0.19 0.72 -0.98 2.57 2.07 -0.93 -2.31 116.25 117.58 2iuu h VAL 705 Ca 0.05 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.11 2iuu h VAL 705 Cb 0.07 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2iuu h VAL 705 CO -0.00 0.11 0.62 -0.33 0.02 0.00 0.00 177.57 177.99 2iuu h GLU 706 N -0.72 0.94 -1.01 1.57 4.39 -1.08 0.16 114.58 118.84 2iuu h GLU 706 Ca -0.04 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.66 2iuu h GLU 706 Cb 0.49 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2iuu h GLU 706 CO 0.07 0.63 0.66 0.00 -1.16 0.00 0.00 179.01 179.20 2iuu h ALA 707 N 1.54 1.38 0.09 3.43 0.00 -1.09 -1.59 119.26 123.02 2iuu h ALA 707 Ca 0.47 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 55.09 2iuu h ALA 707 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2iuu h ALA 707 CO -0.23 0.50 -1.19 -1.49 0.00 0.00 0.00 179.25 176.83 2iuu h TRP 708 N 1.22 0.35 0.00 0.00 4.06 -0.48 -2.98 115.95 118.12 2iuu h TRP 708 Ca 0.42 -0.26 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 2iuu h TRP 708 Cb 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2iuu h TRP 708 CO -0.00 1.20 -0.13 0.87 -3.56 0.00 0.00 178.44 176.82 2iuu h LYS 709 N 0.05 0.00 -0.00 0.49 1.57 -0.29 -2.16 116.57 116.23 2iuu h LYS 709 Ca -0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 2iuu h LYS 709 Cb 1.92 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.24 2iuu h LYS 709 CO 0.18 0.13 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.68 2iuu h LEU 710 N 0.00 0.39 0.00 2.94 3.38 -1.29 -3.23 115.31 117.50 2iuu h LEU 710 Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2iuu h LEU 710 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2iuu h LEU 710 CO 0.02 1.11 0.00 0.54 0.09 0.00 0.00 178.44 180.20 2iuu n ARG 711 N -4.35 0.25 0.00 1.13 1.74 -0.84 -4.84 116.66 109.75 2iuu n ARG 711 Ca -0.10 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2iuu n ARG 711 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2iuu n ARG 711 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iuu n GLY 712 N -0.46 2.79 3.94 -0.13 0.00 -1.06 -5.08 105.19 105.18 2iuu n GLY 712 Ca 0.06 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2iuu n GLY 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 713 N -2.00 3.67 -0.17 4.61 0.00 -1.26 -4.34 121.76 122.27 2iuu s ALA 713 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 2iuu s ALA 713 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2iuu s ALA 713 CO 0.00 -0.07 1.79 -1.25 0.00 0.00 0.00 175.76 176.23 2iuu s PRO 714 N -4.37 3.74 -1.16 0.00 0.04 -1.24 -4.45 135.00 127.55 2iuu s PRO 714 Ca 0.41 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 2iuu s PRO 714 Cb -0.10 -4.12 0.24 0.00 0.04 0.00 0.00 34.50 30.57 2iuu s PRO 714 CO 0.37 -1.38 1.46 -3.47 0.04 0.00 0.00 177.00 174.03 2iuu n ASP 715 N 8.87 5.66 -4.79 6.66 4.64 -1.26 -5.03 116.55 131.30 2iuu n ASP 715 Ca 0.21 -3.16 -0.31 0.00 -1.38 0.00 0.00 54.79 50.14 2iuu n ASP 715 Cb 0.44 -1.40 0.07 0.00 -1.04 0.00 0.00 41.12 39.19 2iuu n ASP 715 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2iuu s TYR 716 N -0.86 2.84 -0.59 -0.67 4.12 -1.26 -4.75 117.35 116.17 2iuu s TYR 716 Ca 0.35 1.49 0.06 0.00 0.02 0.00 0.00 57.07 58.99 2iuu s TYR 716 Cb 0.00 -2.98 0.22 0.00 -1.52 0.00 0.00 41.96 37.69 2iuu s TYR 716 CO 0.01 -1.50 0.60 -0.89 0.02 0.00 0.00 175.55 173.79 2iuu n ILE 717 N -3.20 1.26 -0.07 2.71 -0.00 -0.51 -4.96 119.36 114.59 2iuu n ILE 717 Ca 0.08 -4.73 0.19 0.00 -0.00 0.00 0.00 62.75 58.29 2iuu n ILE 717 Cb 0.53 -2.05 0.29 0.00 -0.00 0.00 0.00 39.64 38.41 2iuu n ILE 717 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2iuu n GLU 718 N 1.43 0.02 -0.25 0.38 2.13 -1.26 0.31 120.64 123.39 2iuu n GLU 718 Ca 0.26 0.89 0.03 0.00 0.66 0.00 0.00 57.16 58.99 2iuu n GLU 718 Cb 0.42 -2.25 0.16 0.00 0.27 0.00 0.00 31.44 30.04 2iuu n GLU 718 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2iuu h ASP 719 N 0.00 0.44 -0.51 4.31 -0.00 -1.95 -3.16 116.42 115.55 2iuu h ASP 719 Ca 0.33 0.07 0.07 0.00 -0.00 0.00 0.00 57.03 57.51 2iuu h ASP 719 Cb 2.40 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 41.67 2iuu h ASP 719 CO -0.00 0.23 0.18 -0.29 -0.00 0.00 0.00 179.24 179.35 2iuu h ILE 720 N 0.58 0.82 0.00 2.25 2.10 -0.50 -2.63 117.51 120.12 2iuu h ILE 720 Ca 0.38 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 66.20 2iuu h ILE 720 Cb 0.45 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 2iuu h ILE 720 CO -0.31 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.01 2iuu n LEU 721 N -5.01 0.00 -0.03 2.19 4.77 -1.19 -3.76 117.00 113.97 2iuu n LEU 721 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2iuu n LEU 721 Cb 0.21 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2iuu n LEU 721 CO 0.24 -0.01 0.26 0.00 -1.33 0.00 0.00 177.39 176.55