#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 0.61 -2.77 1.96 -0.04 -1.26 -4.95 135.00 128.54 2iuu n PRO 316 Ca 0.00 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 2iuu n PRO 316 Cb 0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 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 -0.94 4.77 0.00 0.54 0.04 -1.26 -4.94 135.00 133.21 2iuu s PRO 317 Ca 0.67 1.43 0.06 0.00 0.04 0.00 0.00 61.00 63.20 2iuu s PRO 317 Cb -0.88 -3.14 0.35 0.00 0.04 0.00 0.00 34.50 30.86 2iuu s PRO 317 CO 0.57 0.46 0.95 1.28 0.04 0.00 0.00 177.00 180.29 2iuu n LEU 318 N 1.23 0.00 0.19 -3.56 4.77 -1.26 -1.75 117.00 116.63 2iuu n LEU 318 Ca -0.01 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2iuu n LEU 318 Cb 0.48 -0.15 0.58 0.00 -2.33 0.00 0.00 43.42 42.00 2iuu n LEU 318 CO 0.48 -0.12 0.91 0.28 -1.33 0.00 0.00 177.39 177.62 2iuu h SER 319 N 0.00 0.00 0.87 -1.43 0.02 -2.01 -2.64 113.55 108.36 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 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 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 -2.57 0.33 -4.80 5.07 4.77 -0.71 -4.78 117.00 114.31 2iuu n LEU 320 Ca 0.01 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.17 2iuu n LEU 320 Cb 0.25 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2iuu n LEU 320 CO 0.22 -0.26 0.21 -0.76 -1.33 0.00 0.00 177.39 175.48 2iuu s LEU 321 N -3.68 4.46 0.60 2.23 1.43 -1.00 -4.81 118.68 117.91 2iuu s LEU 321 Ca 0.09 1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 2iuu s LEU 321 Cb 0.12 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2iuu s LEU 321 CO 0.43 0.22 1.04 0.47 0.23 0.00 0.00 176.35 178.74 2iuu n ASP 322 N 2.22 1.11 -4.83 2.29 8.00 -1.26 -4.94 116.55 119.15 2iuu n ASP 322 Ca -0.10 0.83 -0.32 0.00 0.71 0.00 0.00 54.79 55.91 2iuu n ASP 322 Cb 0.51 -1.43 0.02 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.84 3.33 -0.14 -0.24 0.02 -1.26 -4.46 135.00 129.41 2iuu s PRO 323 Ca 0.76 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 2iuu s PRO 323 Cb -0.41 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 2iuu s PRO 323 CO 0.46 -0.78 1.73 0.00 -0.33 0.00 0.00 177.00 178.08 2iuu s ALA 324 N -2.87 3.35 0.72 -1.55 0.00 -1.26 -4.96 121.76 115.19 2iuu s ALA 324 Ca 0.59 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 2iuu s ALA 324 Cb -0.13 -3.84 0.03 0.00 0.00 0.00 0.00 23.12 19.18 2iuu s ALA 324 CO 0.47 -1.83 1.21 -1.21 0.00 0.00 0.00 175.76 174.40 2iuu s GLU 325 N 4.64 2.21 -0.48 0.00 2.02 -1.26 -4.80 118.70 121.03 2iuu s GLU 325 Ca 0.77 1.78 -0.35 0.00 0.02 0.00 0.00 54.97 57.18 2iuu s GLU 325 Cb -0.30 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 2iuu s GLU 325 CO 0.31 -1.79 2.27 0.28 0.02 0.00 0.00 175.26 176.36 2iuu n VAL 326 N -2.62 0.10 -1.86 2.63 0.31 -1.26 -4.81 118.33 110.82 2iuu n VAL 326 Ca 0.14 -0.23 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 2iuu n VAL 326 Cb 0.50 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 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 8.20 1.84 -2.18 5.55 2.85 -1.26 -4.83 118.16 128.32 2iuu n LYS 327 Ca 0.47 -2.41 -0.42 0.00 -1.05 0.00 0.00 58.31 54.90 2iuu n LYS 327 Cb 0.18 -3.45 -0.00 0.00 -0.65 0.00 0.00 35.03 31.11 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 7.83 2.99 0.00 -1.58 7.27 -1.26 -4.80 117.38 127.83 2iuu n GLN 328 Ca 0.47 -2.95 0.00 0.00 0.07 0.00 0.00 57.00 54.59 2iuu n GLN 328 Cb 0.44 -3.41 0.00 0.00 2.41 0.00 0.00 30.24 29.69 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 7.40 0.00 -2.16 3.69 0.00 -1.26 -5.04 118.16 120.79 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 -8.13 -4.21 -5.58 3.41 -1.26 -4.99 113.62 92.87 2iuu n SER 330 Ca 0.00 1.54 -0.35 0.00 -0.26 0.00 0.00 58.87 59.80 2iuu n SER 330 Cb 0.00 -4.74 -0.14 0.00 -0.26 0.00 0.00 64.21 59.07 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 -0.49 3.20 0.18 7.33 1.51 -1.26 -5.08 117.35 122.75 2iuu s TYR 331 Ca 0.00 -1.66 -0.31 0.00 -1.01 0.00 0.00 57.07 54.09 2iuu s TYR 331 Cb 0.00 -2.13 -0.16 0.00 -0.11 0.00 0.00 41.96 39.56 2iuu s TYR 331 CO 0.00 -0.76 0.88 -1.13 -1.11 0.00 0.00 175.55 173.43 2iuu n SER 332 N 4.68 0.17 -0.30 2.29 3.41 -1.26 -4.60 113.62 118.02 2iuu n SER 332 Ca -0.14 1.15 0.35 0.00 -0.26 0.00 0.00 58.87 59.96 2iuu n SER 332 Cb 0.45 -1.09 0.68 0.00 -0.26 0.00 0.00 64.21 63.99 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 2.13 0.00 -0.02 4.33 0.11 -2.00 0.72 132.00 137.28 2iuu h PRO 333 Ca -0.38 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.55 2iuu h PRO 333 Cb 1.39 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.51 2iuu h PRO 333 CO 0.62 0.00 -0.70 1.05 -0.21 0.00 0.00 178.00 178.77 2iuu h GLU 334 N 0.00 0.51 0.08 1.05 4.11 -1.98 -2.32 114.58 116.03 2iuu h GLU 334 Ca 0.56 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2iuu h GLU 334 Cb 2.56 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.94 2iuu h GLU 334 CO -0.01 1.16 -0.08 0.77 0.07 0.00 0.00 179.01 180.92 2iuu h SER 335 N 0.07 -0.22 -0.91 3.06 0.02 0.15 0.12 113.55 115.83 2iuu h SER 335 Ca -0.08 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2iuu h SER 335 Cb 1.38 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.95 2iuu h SER 335 CO 0.14 -0.13 0.59 -0.07 -1.14 0.00 0.00 176.83 176.21 2iuu h LEU 336 N -0.19 0.96 -1.27 5.07 3.38 -1.51 -0.69 115.31 121.07 2iuu h LEU 336 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2iuu h LEU 336 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2iuu h LEU 336 CO -0.03 0.64 -0.32 -0.08 0.09 0.00 0.00 178.44 178.74 2iuu h GLU 337 N 1.11 0.00 0.01 1.13 4.22 -0.81 -1.29 114.58 118.94 2iuu h GLU 337 Ca 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.82 2iuu h GLU 337 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2iuu h GLU 337 CO -0.14 0.32 -0.00 0.00 -2.18 0.00 0.00 179.01 177.00 2iuu h ALA 338 N 1.68 -0.01 -0.92 2.92 0.00 0.61 -2.88 119.26 120.66 2iuu h ALA 338 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2iuu h ALA 338 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2iuu h ALA 338 CO 0.04 -0.23 0.60 1.98 0.00 0.00 0.00 179.25 181.64 2iuu h MET 339 N -0.57 1.10 -0.44 0.00 1.85 -1.05 -1.02 114.93 114.80 2iuu h MET 339 Ca -0.00 -0.07 0.07 0.00 -0.61 0.00 0.00 59.70 59.09 2iuu h MET 339 Cb 0.55 -0.25 -0.06 0.00 0.43 0.00 0.00 31.60 32.27 2iuu h MET 339 CO 0.00 0.73 0.09 0.77 -0.40 0.00 0.00 176.91 178.10 2iuu h SER 340 N 1.14 0.01 0.06 1.39 0.02 -1.19 0.29 113.55 115.27 2iuu h SER 340 Ca 0.37 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.25 2iuu h SER 340 Cb 0.03 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2iuu h SER 340 CO -0.11 0.04 -0.47 0.03 -1.14 0.00 0.00 176.83 175.17 2iuu h ARG 341 N 0.22 0.48 -0.04 3.45 -0.00 -1.20 -1.90 114.38 115.39 2iuu h ARG 341 Ca 0.22 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2iuu h ARG 341 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.26 2iuu h ARG 341 CO -0.28 0.85 0.03 1.25 0.00 0.00 0.00 179.97 181.82 2iuu h LEU 342 N 0.38 0.05 0.08 3.04 6.46 -0.16 0.21 115.31 125.37 2iuu h LEU 342 Ca 0.02 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2iuu h LEU 342 Cb 0.97 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 2iuu h LEU 342 CO 0.09 0.06 -0.37 0.25 -0.62 0.00 0.00 178.44 177.85 2iuu h LEU 343 N 0.03 -1.09 -0.48 2.25 6.46 -0.33 0.27 115.31 122.44 2iuu h LEU 343 Ca 0.02 0.13 0.10 0.00 -0.12 0.00 0.00 57.88 58.00 2iuu h LEU 343 Cb 0.02 0.42 -0.09 0.00 -0.73 0.00 0.00 40.66 40.28 2iuu h LEU 343 CO -0.00 -0.44 -0.14 -0.33 -0.62 0.00 0.00 178.44 176.91 2iuu h GLU 344 N -0.57 -0.03 0.10 1.25 5.08 -0.97 -1.53 114.58 117.91 2iuu h GLU 344 Ca 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2iuu h GLU 344 Cb 0.62 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2iuu h GLU 344 CO -0.24 -0.02 -0.16 0.82 -1.00 0.00 0.00 179.01 178.41 2iuu h ILE 345 N -0.03 0.64 -0.76 3.13 1.08 0.18 -1.61 117.51 120.14 2iuu h ILE 345 Ca 0.23 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.71 2iuu h ILE 345 Cb 0.38 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 2iuu h ILE 345 CO -0.51 0.00 0.50 0.11 -0.69 0.00 0.00 178.15 177.57 2iuu h LYS 346 N -0.31 0.99 -0.49 2.37 1.79 -0.57 0.22 116.57 120.57 2iuu h LYS 346 Ca 0.02 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 2iuu h LYS 346 Cb 0.33 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2iuu h LYS 346 CO -0.09 0.66 0.06 -0.07 -1.08 0.00 0.00 179.45 178.93 2iuu h LEU 347 N 1.02 0.73 -0.54 2.94 3.38 -1.18 -2.22 115.31 119.44 2iuu h LEU 347 Ca 0.28 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2iuu h LEU 347 Cb -0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2iuu h LEU 347 CO -0.07 0.76 -0.01 0.50 0.09 0.00 0.00 178.44 179.71 2iuu h LYS 348 N 0.74 0.97 -0.51 1.13 3.11 -0.47 -2.15 116.57 119.39 2iuu h LYS 348 Ca 0.15 -0.32 0.06 0.00 -2.81 0.00 0.00 60.65 57.74 2iuu h LYS 348 Cb 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 2iuu h LYS 348 CO 0.01 0.98 0.34 0.93 -2.81 0.00 0.00 179.45 178.90 2iuu h GLU 349 N 0.85 0.42 0.00 1.90 5.08 -0.01 -3.40 114.58 119.41 2iuu h GLU 349 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2iuu h GLU 349 Cb 0.56 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2iuu h GLU 349 CO 0.03 0.28 0.00 1.19 -1.00 0.00 0.00 179.01 179.51 2iuu n PHE 350 N -4.47 -3.10 0.08 4.33 3.01 -0.82 -5.01 117.46 111.48 2iuu n PHE 350 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.41 2iuu n PHE 350 Cb 0.26 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.56 -3.60 1.37 0.00 -1.78 -3.46 103.07 95.04 2iuu h GLY 351 Ca 0.00 0.38 -0.52 0.00 0.00 0.00 0.00 47.33 47.19 2iuu h GLY 351 CO 0.00 -0.24 0.61 -1.34 0.00 0.00 0.00 176.54 175.57 2iuu s VAL 352 N -6.01 2.75 -0.25 4.60 -7.23 -1.16 -4.85 120.40 108.25 2iuu s VAL 352 Ca -0.16 0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 60.69 2iuu s VAL 352 Cb 0.09 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.61 2iuu s VAL 352 CO 0.65 0.13 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.84 2iuu s GLU 353 N -2.02 3.03 0.21 4.82 2.12 -1.26 -1.98 118.70 123.61 2iuu s GLU 353 Ca 0.53 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 2iuu s GLU 353 Cb -0.38 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2iuu s GLU 353 CO 0.49 -0.36 0.19 0.54 -0.54 0.00 0.00 175.26 175.58 2iuu s VAL 354 N 1.40 0.00 -0.03 3.70 0.11 -1.26 -1.78 120.40 122.54 2iuu s VAL 354 Ca 0.02 -1.90 -0.01 0.00 -2.93 0.00 0.00 61.98 57.15 2iuu s VAL 354 Cb -0.16 -2.45 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 2iuu s VAL 354 CO -0.03 -0.00 0.06 -0.94 -3.33 0.00 0.00 175.10 170.86 2iuu s SER 355 N -3.14 -0.03 0.19 3.54 1.04 -0.93 -4.80 113.70 109.58 2iuu s SER 355 Ca 0.36 0.12 -0.31 0.00 0.48 0.00 0.00 55.95 56.60 2iuu s SER 355 Cb 0.06 0.07 -0.11 0.00 0.10 0.00 0.00 66.02 66.14 2iuu s SER 355 CO 0.11 -0.08 1.59 -0.69 0.98 0.00 0.00 173.24 175.16 2iuu s VAL 356 N 0.59 2.45 -0.17 5.02 1.01 -1.26 -0.39 120.40 127.65 2iuu s VAL 356 Ca -0.05 0.33 0.18 0.00 0.00 0.00 0.00 61.98 62.44 2iuu s VAL 356 Cb -0.07 -3.21 -0.25 0.00 0.00 0.00 0.00 36.38 32.85 2iuu s VAL 356 CO -0.02 0.03 0.12 -0.67 0.00 0.00 0.00 175.10 174.56 2iuu n ASP 357 N 3.66 0.16 -3.58 3.32 2.03 0.16 -4.85 116.55 117.46 2iuu n ASP 357 Ca 0.13 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.37 2iuu n ASP 357 Cb 0.38 1.11 -0.03 0.00 -0.72 0.00 0.00 41.12 41.86 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 -5.28 -0.24 -0.04 1.67 1.04 -1.03 -5.00 113.70 104.81 2iuu s SER 358 Ca -0.09 0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.52 2iuu s SER 358 Cb 0.07 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2iuu s SER 358 CO 0.81 -0.31 -0.20 -0.69 0.98 0.00 0.00 173.24 173.84 2iuu s VAL 359 N -1.91 1.62 -0.37 5.02 1.01 -1.26 -1.27 120.40 123.24 2iuu s VAL 359 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2iuu s VAL 359 Cb -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 35.12 2iuu s VAL 359 CO -0.04 0.46 0.17 -1.00 0.00 0.00 0.00 175.10 174.69 2iuu s HIS 360 N -0.13 1.77 0.54 5.22 3.76 0.34 -5.00 115.29 121.79 2iuu s HIS 360 Ca -0.01 -2.06 -0.18 0.00 -0.15 0.00 0.00 55.06 52.66 2iuu s HIS 360 Cb -0.11 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.78 2iuu s HIS 360 CO 0.02 -0.83 1.05 -1.25 -0.85 0.00 0.00 174.74 172.88 2iuu s PRO 361 N 0.98 3.54 0.17 8.40 0.04 -1.26 -1.22 135.00 145.64 2iuu s PRO 361 Ca 0.14 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2iuu s PRO 361 Cb -0.21 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 2iuu s PRO 361 CO -0.11 -0.64 0.20 0.41 0.04 0.00 0.00 177.00 176.91 2iuu n GLY 362 N -0.55 2.96 0.19 0.56 0.00 -0.23 -4.79 105.19 103.32 2iuu n GLY 362 Ca 0.09 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 0.57 0.00 1.61 0.11 -1.88 -3.37 132.00 129.04 2iuu h PRO 363 Ca -0.13 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.67 2iuu h PRO 363 Cb 0.59 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.54 2iuu h PRO 363 CO 0.18 0.45 -1.95 0.28 -0.21 0.00 0.00 178.00 176.75 2iuu n VAL 364 N -4.73 0.96 -4.38 3.15 0.31 -1.26 -1.76 118.33 110.62 2iuu n VAL 364 Ca 0.00 -0.37 -0.20 0.00 -0.01 0.00 0.00 64.34 63.76 2iuu n VAL 364 Cb 0.07 -1.08 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.34 0.44 -0.07 2.52 -0.00 -1.26 -1.64 121.20 118.86 2iuu s ILE 365 Ca -0.22 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.45 2iuu s ILE 365 Cb 0.06 -2.50 0.02 0.00 -0.00 0.00 0.00 42.46 40.03 2iuu s ILE 365 CO 0.39 0.00 -0.11 -0.89 -0.00 0.00 0.00 174.94 174.33 2iuu s THR 366 N -3.50 1.08 -0.16 8.37 2.01 0.08 -1.07 115.64 122.45 2iuu s THR 366 Ca 0.34 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2iuu s THR 366 Cb 0.05 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 2iuu s THR 366 CO 0.17 0.35 0.32 -0.60 -0.69 0.00 0.00 174.62 174.17 2iuu s ARG 367 N 0.80 4.26 -0.37 4.92 3.52 -0.36 -1.20 118.95 130.52 2iuu s ARG 367 Ca -0.12 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 2iuu s ARG 367 Cb -0.15 -3.44 0.08 0.00 -1.56 0.00 0.00 34.95 29.88 2iuu s ARG 367 CO 0.02 0.20 0.14 -0.06 -0.81 0.00 0.00 175.30 174.79 2iuu s PHE 368 N 0.57 3.41 -0.33 5.12 0.40 0.28 -0.50 117.98 126.93 2iuu s PHE 368 Ca 0.18 -1.99 -0.29 0.00 -0.60 0.00 0.00 56.93 54.23 2iuu s PHE 368 Cb -0.13 -2.73 0.01 0.00 0.51 0.00 0.00 43.02 40.68 2iuu s PHE 368 CO 0.05 -0.87 1.22 -1.21 0.70 0.00 0.00 175.22 175.11 2iuu s GLU 369 N 1.25 3.92 0.14 0.44 2.02 -0.39 -1.84 118.70 124.24 2iuu s GLU 369 Ca 0.02 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.16 2iuu s GLU 369 Cb -0.21 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2iuu s GLU 369 CO -0.01 -1.11 0.06 0.96 0.02 0.00 0.00 175.26 175.17 2iuu s ILE 370 N 4.23 4.16 -0.35 -1.63 -0.00 0.82 0.38 121.20 128.82 2iuu s ILE 370 Ca 0.52 -1.13 -0.06 0.00 -0.00 0.00 0.00 60.65 59.98 2iuu s ILE 370 Cb -0.14 -3.07 0.05 0.00 -0.00 0.00 0.00 42.46 39.30 2iuu s ILE 370 CO 0.22 -0.03 0.12 -1.58 -0.00 0.00 0.00 174.94 173.67 2iuu s GLN 371 N -2.80 2.57 0.45 0.37 2.00 0.48 -0.86 119.66 121.87 2iuu s GLN 371 Ca 0.29 -1.25 -0.25 0.00 -2.00 0.00 0.00 55.36 52.15 2iuu s GLN 371 Cb -0.10 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 2iuu s GLN 371 CO 0.21 -0.72 1.33 -2.14 -0.50 0.00 0.00 175.29 173.47 2iuu s PRO 372 N 1.38 3.71 1.11 1.67 0.02 -1.26 -2.19 135.00 139.44 2iuu s PRO 372 Ca -0.01 2.20 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 2iuu s PRO 372 Cb -0.20 -2.59 0.26 0.00 0.02 0.00 0.00 34.50 31.98 2iuu s PRO 372 CO 0.02 -0.72 1.05 0.00 -0.33 0.00 0.00 177.00 177.02 2iuu s ALA 373 N -1.29 -0.03 0.28 -1.55 0.00 -0.73 -4.90 121.76 113.54 2iuu s ALA 373 Ca 0.62 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2iuu s ALA 373 Cb -0.39 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 2iuu s ALA 373 CO 0.49 -3.53 1.63 0.00 0.00 0.00 0.00 175.76 174.35 2iuu s ALA 374 N -2.64 3.80 0.00 0.00 0.00 -1.26 -2.55 121.76 119.11 2iuu s ALA 374 Ca 0.67 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.23 2iuu s ALA 374 Cb -0.23 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2iuu s ALA 374 CO 0.62 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2iuu n GLY 375 N 2.58 2.79 3.73 0.00 0.00 -1.26 -5.01 105.19 108.01 2iuu n GLY 375 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.04 4.87 -0.01 1.61 0.11 -1.06 -5.04 120.40 117.84 2iuu s VAL 376 Ca 0.00 1.65 -0.17 0.00 -2.93 0.00 0.00 61.98 60.53 2iuu s VAL 376 Cb 0.00 -4.13 -0.06 0.00 -1.53 0.00 0.00 36.38 30.66 2iuu s VAL 376 CO 0.00 0.28 0.48 -0.54 -3.33 0.00 0.00 175.10 172.00 2iuu s LYS 377 N 0.45 4.12 0.32 1.54 1.02 -1.26 -4.86 119.74 121.08 2iuu s LYS 377 Ca 0.41 0.54 0.09 0.00 0.02 0.00 0.00 55.97 57.03 2iuu s LYS 377 Cb -0.20 -3.28 0.89 0.00 -0.52 0.00 0.00 37.83 34.72 2iuu s LYS 377 CO 0.22 0.53 1.71 0.28 -0.92 0.00 0.00 175.35 177.18 2iuu h VAL 378 N 3.91 0.48 -1.00 3.17 2.07 -1.96 -0.16 116.25 122.77 2iuu h VAL 378 Ca -0.48 -0.17 0.22 0.00 0.82 0.00 0.00 66.70 67.08 2iuu h VAL 378 Cb 1.21 -0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 2iuu h VAL 378 CO 0.66 0.09 0.62 0.77 0.02 0.00 0.00 177.57 179.73 2iuu h SER 379 N 0.50 0.64 -0.77 0.57 4.64 -1.99 0.20 113.55 117.34 2iuu h SER 379 Ca 0.64 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 62.07 2iuu h SER 379 Cb 1.27 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 2iuu h SER 379 CO -0.51 0.19 0.51 0.03 -0.87 0.00 0.00 176.83 176.18 2iuu h ARG 380 N 0.61 0.99 0.44 4.77 3.08 -1.43 0.18 114.38 123.01 2iuu h ARG 380 Ca 0.58 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.54 2iuu h ARG 380 Cb 1.12 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2iuu h ARG 380 CO -0.34 0.65 -0.21 0.82 -1.07 0.00 0.00 179.97 179.82 2iuu h ILE 381 N 1.02 0.53 -0.68 2.04 1.08 -0.72 -3.15 117.51 117.63 2iuu h ILE 381 Ca 0.29 -0.35 0.13 0.00 -0.39 0.00 0.00 64.86 64.54 2iuu h ILE 381 Cb -0.08 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 2iuu h ILE 381 CO -0.08 0.06 0.22 0.28 -0.69 0.00 0.00 178.15 177.95 2iuu h SER 382 N -0.80 0.16 -0.16 1.72 0.02 -1.12 -1.96 113.55 111.40 2iuu h SER 382 Ca -0.06 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2iuu h SER 382 Cb 0.55 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2iuu h SER 382 CO 0.10 0.07 0.19 0.78 -1.14 0.00 0.00 176.83 176.82 2iuu h ASN 383 N 0.36 0.00 -1.32 3.07 -0.26 -0.61 -2.53 115.58 114.29 2iuu h ASN 383 Ca 0.37 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.52 2iuu h ASN 383 Cb 0.54 0.00 -0.42 0.00 -1.06 0.00 0.00 38.32 37.39 2iuu h ASN 383 CO -0.40 0.00 -0.66 0.00 -1.06 0.00 0.00 177.43 175.31 2iuu n LEU 384 N -3.77 4.92 0.09 1.61 -0.00 -0.74 -4.61 117.00 114.49 2iuu n LEU 384 Ca 0.01 -5.06 -0.08 0.00 -0.00 0.00 0.00 56.01 50.88 2iuu n LEU 384 Cb 0.31 -0.46 -0.03 0.00 -0.00 0.00 0.00 43.42 43.24 2iuu n LEU 384 CO 0.27 2.18 0.22 0.00 -0.00 0.00 0.00 177.39 180.06 2iuu h ALA 385 N 2.48 0.49 -0.16 1.47 0.00 -1.52 -1.31 119.26 120.71 2iuu h ALA 385 Ca 0.33 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2iuu h ALA 385 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2iuu h ALA 385 CO 0.86 0.99 0.00 -0.22 0.00 0.00 0.00 179.25 180.88 2iuu h LYS 386 N 0.07 0.27 -0.17 0.00 1.63 -1.84 -1.51 116.57 115.02 2iuu h LYS 386 Ca -0.04 -0.09 -0.15 0.00 -0.85 0.00 0.00 60.65 59.52 2iuu h LYS 386 Cb 1.57 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 2iuu h LYS 386 CO 0.13 0.49 -0.48 -0.44 -3.45 0.00 0.00 179.45 175.71 2iuu h ASP 387 N 0.02 0.72 -0.81 4.20 5.19 -1.89 -2.81 116.42 121.04 2iuu h ASP 387 Ca 0.04 -0.58 0.06 0.00 -0.62 0.00 0.00 57.03 55.93 2iuu h ASP 387 Cb 0.37 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2iuu h ASP 387 CO 0.01 1.18 0.49 0.25 -3.12 0.00 0.00 179.24 178.04 2iuu h LEU 388 N 0.31 0.76 -0.42 1.55 5.85 -1.25 0.63 115.31 122.74 2iuu h LEU 388 Ca -0.01 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2iuu h LEU 388 Cb 1.10 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2iuu h LEU 388 CO 0.10 0.49 0.21 0.00 -0.34 0.00 0.00 178.44 178.90 2iuu h ALA 389 N 1.39 0.52 -0.26 1.25 0.00 -1.23 -0.35 119.26 120.58 2iuu h ALA 389 Ca 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2iuu h ALA 389 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2iuu h ALA 389 CO -0.17 -0.15 0.09 -0.09 0.00 0.00 0.00 179.25 178.92 2iuu h ARG 390 N 0.42 0.40 0.00 0.00 2.43 -1.03 -0.12 114.38 116.47 2iuu h ARG 390 Ca 0.18 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2iuu h ARG 390 Cb 0.08 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2iuu h ARG 390 CO -0.12 0.46 -0.01 0.66 -1.51 0.00 0.00 179.97 179.45 2iuu h SER 391 N 0.26 0.00 -0.07 -3.80 4.64 -0.43 0.16 113.55 114.31 2iuu h SER 391 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2iuu h SER 391 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2iuu h SER 391 CO -0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2iuu n LEU 392 N -3.69 2.63 -2.92 5.97 4.77 -0.18 -4.96 117.00 118.62 2iuu n LEU 392 Ca -0.03 -0.92 -0.22 0.00 -0.03 0.00 0.00 56.01 54.82 2iuu n LEU 392 Cb 0.09 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2iuu n LEU 392 CO 0.26 0.46 -0.06 0.00 -1.33 0.00 0.00 177.39 176.72 2iuu n ALA 393 N 1.04 -0.92 -2.47 -1.18 0.00 0.56 -4.99 120.51 112.56 2iuu n ALA 393 Ca 0.16 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 2iuu n ALA 393 Cb 0.53 -3.39 -0.12 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.11 2.77 0.50 0.00 -7.23 -0.56 -5.03 120.40 107.75 2iuu s VAL 394 Ca 0.25 -1.42 0.18 0.00 -1.81 0.00 0.00 61.98 59.18 2iuu s VAL 394 Cb -0.11 -2.23 0.31 0.00 0.56 0.00 0.00 36.38 34.91 2iuu s VAL 394 CO 0.31 0.18 2.08 -0.29 -0.31 0.00 0.00 175.10 177.07 2iuu h ILE 395 N 3.71 0.92 -2.01 -0.62 2.10 -1.94 -3.37 117.51 116.29 2iuu h ILE 395 Ca -0.49 -0.03 0.21 0.00 1.08 0.00 0.00 64.86 65.63 2iuu h ILE 395 Cb 1.16 0.82 -0.12 0.00 -1.09 0.00 0.00 36.82 37.60 2iuu h ILE 395 CO 0.46 0.02 0.61 -0.94 -1.08 0.00 0.00 178.15 177.22 2iuu s SER 396 N -6.70 -0.19 0.00 2.19 1.04 -1.26 -4.95 113.70 103.83 2iuu s SER 396 Ca -0.06 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 2iuu s SER 396 Cb 0.18 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2iuu s SER 396 CO 0.70 -0.61 0.01 0.54 0.98 0.00 0.00 173.24 174.86 2iuu s VAL 397 N -2.94 0.05 -0.24 5.02 0.11 -1.26 -4.38 120.40 116.77 2iuu s VAL 397 Ca 0.11 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2iuu s VAL 397 Cb 0.00 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2iuu s VAL 397 CO -0.03 -0.24 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.88 2iuu s ARG 398 N -0.71 3.24 -0.35 1.54 3.52 -0.84 -4.92 118.95 120.44 2iuu s ARG 398 Ca -0.08 -0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 54.62 2iuu s ARG 398 Cb -0.05 -3.06 -0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2iuu s ARG 398 CO -0.00 -0.27 0.53 0.08 -0.81 0.00 0.00 175.30 174.83 2iuu s VAL 399 N 1.46 5.00 -0.64 7.11 1.01 -1.26 -0.98 120.40 132.10 2iuu s VAL 399 Ca 0.04 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 2iuu s VAL 399 Cb -0.15 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.39 2iuu s VAL 399 CO -0.03 -0.22 0.68 -0.69 0.00 0.00 0.00 175.10 174.85 2iuu s VAL 400 N 2.43 5.07 0.67 2.92 1.01 0.11 -4.93 120.40 127.68 2iuu s VAL 400 Ca 0.20 -1.45 0.41 0.00 0.00 0.00 0.00 61.98 61.13 2iuu s VAL 400 Cb -0.15 -4.46 0.41 0.00 0.00 0.00 0.00 36.38 32.17 2iuu s VAL 400 CO 0.13 -1.06 2.25 -0.33 0.00 0.00 0.00 175.10 176.10 2iuu h GLU 401 N 8.83 0.00 -3.26 2.72 5.08 -1.95 -1.21 114.58 124.77 2iuu h GLU 401 Ca -0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.91 2iuu h GLU 401 Cb 1.08 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.00 2iuu h GLU 401 CO 1.02 0.00 -0.62 0.54 -1.00 0.00 0.00 179.01 178.95 2iuu s VAL 402 N -4.14 -0.08 -0.34 3.13 0.11 -1.26 -4.81 120.40 113.01 2iuu s VAL 402 Ca -0.05 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 2iuu s VAL 402 Cb 0.12 -0.23 0.10 0.00 -1.53 0.00 0.00 36.38 34.84 2iuu s VAL 402 CO 0.37 0.09 0.05 -0.63 -3.33 0.00 0.00 175.10 171.65 2iuu s ILE 403 N 1.32 2.41 -0.12 7.04 1.01 -1.25 -4.96 121.20 126.65 2iuu s ILE 403 Ca -0.07 -2.22 -0.27 0.00 0.00 0.00 0.00 60.65 58.08 2iuu s ILE 403 Cb -0.12 -2.72 -0.13 0.00 0.01 0.00 0.00 42.46 39.50 2iuu s ILE 403 CO -0.06 -0.54 0.81 -2.65 0.00 0.00 0.00 174.94 172.50 2iuu n PRO 404 N 4.32 0.00 0.00 2.79 -0.02 -1.26 -1.44 135.00 139.38 2iuu n PRO 404 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2iuu n PRO 404 Cb 0.42 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 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 1.55 2.16 3.97 -1.23 0.00 -1.26 -4.97 105.19 105.41 2iuu n GLY 405 Ca 0.15 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 2.85 -0.03 1.61 1.02 -0.52 -5.00 119.74 119.67 2iuu s LYS 406 Ca 0.00 -0.67 0.17 0.00 0.02 0.00 0.00 55.97 55.49 2iuu s LYS 406 Cb 0.00 -2.56 0.53 0.00 -0.52 0.00 0.00 37.83 35.29 2iuu s LYS 406 CO 0.00 -0.42 1.45 0.25 -0.92 0.00 0.00 175.35 175.70 2iuu n THR 407 N -2.14 1.22 -2.77 2.17 -2.24 -1.26 -4.67 114.28 104.59 2iuu n THR 407 Ca 0.04 -1.08 -0.22 0.00 -2.27 0.00 0.00 64.05 60.51 2iuu n THR 407 Cb 0.59 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.25 3.35 0.25 4.28 -4.23 -1.26 -4.75 115.64 112.03 2iuu s THR 408 Ca 0.40 -0.52 0.11 0.00 -1.18 0.00 0.00 61.69 60.50 2iuu s THR 408 Cb 0.22 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2iuu s THR 408 CO 0.24 -0.19 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.27 2iuu s VAL 409 N -2.70 2.66 0.05 2.29 1.01 -0.04 -3.89 120.40 119.78 2iuu s VAL 409 Ca 0.53 -2.18 0.09 0.00 0.00 0.00 0.00 61.98 60.42 2iuu s VAL 409 Cb -0.10 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2iuu s VAL 409 CO 0.39 -0.30 -0.26 -0.83 0.00 0.00 0.00 175.10 174.09 2iuu s GLY 410 N -3.28 1.40 -0.17 4.51 0.00 -0.46 -0.12 107.32 109.21 2iuu s GLY 410 Ca 0.28 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 2iuu s GLY 410 CO 0.15 -1.17 -0.05 -0.42 0.00 0.00 0.00 173.10 171.60 2iuu s ILE 411 N -0.82 1.13 -0.42 0.90 1.01 -0.77 0.05 121.20 122.28 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 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.10 2iuu s ILE 411 CO 0.02 0.13 0.36 -1.61 0.00 0.00 0.00 174.94 173.84 2iuu s GLU 412 N 1.63 3.01 -0.13 2.79 2.02 -0.15 -0.56 118.70 127.31 2iuu s GLU 412 Ca 0.01 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 2iuu s GLU 412 Cb -0.15 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 2iuu s GLU 412 CO -0.08 -0.82 0.10 0.42 0.02 0.00 0.00 175.26 174.90 2iuu s ILE 413 N 1.84 5.13 0.10 -1.63 1.01 -0.34 -1.99 121.20 125.33 2iuu s ILE 413 Ca 0.07 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 2iuu s ILE 413 Cb -0.19 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 2iuu s ILE 413 CO 0.11 0.57 1.49 -2.84 0.00 0.00 0.00 174.94 174.27 2iuu s PRO 414 N -0.61 4.26 0.54 2.79 0.02 -1.26 -0.74 135.00 140.00 2iuu s PRO 414 Ca 0.12 2.19 -0.20 0.00 0.02 0.00 0.00 61.00 63.12 2iuu s PRO 414 Cb -0.12 -3.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 2iuu s PRO 414 CO 0.02 -0.56 1.19 -0.80 -0.33 0.00 0.00 177.00 176.52 2iuu s ASN 415 N 1.47 5.58 0.23 2.53 0.02 -0.65 -4.90 114.94 119.22 2iuu s ASN 415 Ca 0.68 2.34 -0.08 0.00 -1.02 0.00 0.00 52.86 54.78 2iuu s ASN 415 Cb -0.39 -2.60 0.20 0.00 0.02 0.00 0.00 41.25 38.49 2iuu s ASN 415 CO 0.30 -1.32 1.90 -0.33 0.02 0.00 0.00 177.10 177.67 2iuu h GLU 416 N 1.30 1.12 -4.64 -0.60 5.08 -1.94 -3.35 114.58 111.56 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 -0.36 0.00 0.50 0.00 0.00 28.75 29.91 2iuu h GLU 416 CO 0.57 0.74 -0.65 -0.51 -1.00 0.00 0.00 179.01 178.16 2iuu s ASP 417 N -5.97 4.97 -0.08 1.42 1.01 -1.26 -5.07 116.67 111.68 2iuu s ASP 417 Ca -0.13 -1.88 -0.30 0.00 0.71 0.00 0.00 52.55 50.96 2iuu s ASP 417 Cb 0.16 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 2iuu s ASP 417 CO 0.80 -0.41 1.26 -0.60 0.21 0.00 0.00 175.17 176.43 2iuu s ARG 418 N 1.08 4.30 -0.06 8.23 3.52 -1.26 -4.94 118.95 129.82 2iuu s ARG 418 Ca 0.05 1.73 -0.16 0.00 -0.13 0.00 0.00 55.73 57.22 2iuu s ARG 418 Cb -0.21 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 2iuu s ARG 418 CO -0.05 -0.56 0.42 1.14 -0.81 0.00 0.00 175.30 175.44 2iuu s GLN 419 N 2.70 4.10 0.75 5.12 -2.07 -0.72 -5.03 119.66 124.51 2iuu s GLN 419 Ca 0.57 0.38 -0.12 0.00 -1.82 0.00 0.00 55.36 54.38 2iuu s GLN 419 Cb -0.25 -3.31 0.04 0.00 -1.09 0.00 0.00 33.01 28.40 2iuu s GLN 419 CO 0.21 0.47 1.11 1.41 -1.32 0.00 0.00 175.29 177.16 2iuu s MET 420 N -0.35 2.32 -0.22 9.60 -2.45 -1.26 -4.55 119.30 122.39 2iuu s MET 420 Ca 0.23 1.30 -0.00 0.00 -1.25 0.00 0.00 55.69 55.98 2iuu s MET 420 Cb -0.16 -1.90 0.03 0.00 1.25 0.00 0.00 34.83 34.05 2iuu s MET 420 CO 0.11 -1.61 -0.12 0.08 1.05 0.00 0.00 175.02 174.53 2iuu s VAL 421 N -2.65 2.49 0.05 10.11 1.01 -1.26 -4.97 120.40 125.18 2iuu s VAL 421 Ca 0.64 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 2iuu s VAL 421 Cb -0.19 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 2iuu s VAL 421 CO 0.51 0.30 0.52 -0.13 0.00 0.00 0.00 175.10 176.31 2iuu s ARG 422 N 1.29 4.12 0.25 2.72 1.81 -1.26 0.21 118.95 128.08 2iuu s ARG 422 Ca 0.01 0.65 -0.03 0.00 -1.72 0.00 0.00 55.73 54.63 2iuu s ARG 422 Cb -0.16 -3.23 0.50 0.00 -0.45 0.00 0.00 34.95 31.61 2iuu s ARG 422 CO -0.08 0.65 1.72 0.35 -0.68 0.00 0.00 175.30 177.27 2iuu h PHE 423 N 4.59 0.52 -0.23 -0.53 -0.00 -1.75 0.25 116.94 119.78 2iuu h PHE 423 Ca -0.50 0.04 0.06 0.00 -0.00 0.00 0.00 57.97 57.57 2iuu h PHE 423 Cb 1.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 37.05 2iuu h PHE 423 CO 0.69 0.04 0.16 0.66 -0.00 0.00 0.00 178.31 179.86 2iuu h SER 424 N 0.43 0.01 0.80 0.41 4.64 -1.87 0.16 113.55 118.12 2iuu h SER 424 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2iuu h SER 424 Cb 0.70 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2iuu h SER 424 CO -0.43 0.01 0.00 1.21 -0.87 0.00 0.00 176.83 176.75 2iuu n GLU 425 N -4.47 0.21 -0.12 4.77 2.13 0.87 -2.40 120.64 121.62 2iuu n GLU 425 Ca 0.02 0.42 -0.24 0.00 0.66 0.00 0.00 57.16 58.02 2iuu n GLU 425 Cb 0.30 -1.89 -0.09 0.00 0.27 0.00 0.00 31.44 30.03 2iuu n GLU 425 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2iuu n VAL 426 N -2.29 1.34 0.35 6.31 0.31 0.47 -4.40 118.33 120.42 2iuu n VAL 426 Ca 0.02 -0.38 0.09 0.00 -0.01 0.00 0.00 64.34 64.06 2iuu n VAL 426 Cb 0.25 -1.71 0.39 0.00 -0.91 0.00 0.00 33.84 31.86 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 -3.89 0.36 0.23 7.52 4.77 -0.74 -2.00 117.00 123.27 2iuu n LEU 427 Ca -0.47 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2iuu n LEU 427 Cb 0.86 -0.58 0.40 0.00 -2.33 0.00 0.00 43.42 41.77 2iuu n LEU 427 CO 0.07 -0.51 0.84 0.77 -1.33 0.00 0.00 177.39 177.23 2iuu h SER 428 N 0.00 0.00 -4.05 -1.43 4.64 -1.68 -3.39 113.55 107.64 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 0.18 0.00 -0.31 0.00 0.00 62.40 62.50 2iuu h SER 428 CO 0.00 0.09 0.26 -1.54 -0.87 0.00 0.00 176.83 174.77 2iuu n SER 429 N -3.17 0.87 0.20 4.97 3.41 -0.84 -4.85 113.62 114.20 2iuu n SER 429 Ca 0.02 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 2iuu n SER 429 Cb 0.45 -1.48 0.36 0.00 -0.26 0.00 0.00 64.21 63.29 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 -0.63 0.00 -0.63 4.33 0.13 -1.90 -2.38 132.00 130.93 2iuu h PRO 430 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2iuu h PRO 430 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2iuu h PRO 430 CO 0.46 0.33 0.24 0.93 -0.23 0.00 0.00 178.00 179.74 2iuu h GLU 431 N 0.00 0.95 0.03 0.86 3.07 -1.94 -0.79 114.58 116.76 2iuu h GLU 431 Ca -0.00 -0.18 -0.27 0.00 -0.50 0.00 0.00 59.36 58.41 2iuu h GLU 431 Cb 0.87 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.65 2iuu h GLU 431 CO 0.04 0.81 -1.08 -0.92 -1.40 0.00 0.00 179.01 176.46 2iuu h TYR 432 N 0.88 0.98 -0.16 4.33 3.20 -1.84 -2.79 116.97 121.58 2iuu h TYR 432 Ca 0.21 -0.55 -0.00 0.00 3.14 0.00 0.00 58.73 61.52 2iuu h TYR 432 Cb 0.22 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2iuu h TYR 432 CO 0.01 1.39 0.09 0.22 -1.64 0.00 0.00 178.16 178.24 2iuu h ASP 433 N 0.35 0.19 -0.20 -2.11 1.82 -1.30 -2.86 116.42 112.31 2iuu h ASP 433 Ca -0.14 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2iuu h ASP 433 Cb 1.74 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.70 2iuu h ASP 433 CO 0.21 0.19 0.00 -0.62 -1.61 0.00 0.00 179.24 177.41 2iuu n GLU 434 N -4.94 1.74 -1.84 0.28 1.02 -0.31 -4.92 120.64 111.66 2iuu n GLU 434 Ca -0.04 -1.12 -0.42 0.00 -0.02 0.00 0.00 57.16 55.56 2iuu n GLU 434 Cb 0.06 -1.37 -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 -1.74 2.94 -1.67 -0.32 2.46 -1.05 -4.91 115.29 111.00 2iuu s HIS 435 Ca 0.31 0.60 0.26 0.00 0.47 0.00 0.00 55.06 56.70 2iuu s HIS 435 Cb 0.16 -4.02 0.61 0.00 -0.13 0.00 0.00 32.58 29.20 2iuu s HIS 435 CO 0.24 -3.69 1.47 1.17 -2.47 0.00 0.00 174.74 171.47 2iuu n LYS 436 N 3.42 0.75 -2.49 2.88 4.81 -1.26 -4.95 118.16 121.32 2iuu n LYS 436 Ca 0.13 -0.47 -0.32 0.00 -0.87 0.00 0.00 58.31 56.77 2iuu n LYS 436 Cb 0.37 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.58 6.67 0.34 3.14 0.15 -1.26 -4.96 113.70 115.21 2iuu s SER 437 Ca 0.21 1.57 0.24 0.00 0.70 0.00 0.00 55.95 58.67 2iuu s SER 437 Cb 0.19 -2.50 0.37 0.00 -1.71 0.00 0.00 66.02 62.36 2iuu s SER 437 CO 0.56 -0.54 1.53 0.71 1.20 0.00 0.00 173.24 176.70 2iuu h THR 438 N 1.08 0.00 -2.13 6.45 1.35 -1.92 -3.37 112.91 114.36 2iuu h THR 438 Ca -0.47 -0.88 -0.55 0.00 -0.55 0.00 0.00 66.41 63.96 2iuu h THR 438 Cb 1.18 1.77 -0.41 0.00 -1.73 0.00 0.00 68.15 68.97 2iuu h THR 438 CO 0.62 0.00 -0.88 1.33 -0.25 0.00 0.00 175.52 176.34 2iuu n VAL 439 N -2.83 1.32 -2.62 6.82 0.24 -1.26 -4.56 118.33 115.44 2iuu n VAL 439 Ca 0.04 -4.95 -0.33 0.00 -2.04 0.00 0.00 64.34 57.06 2iuu n VAL 439 Cb 0.51 -1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 31.54 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 4.09 -0.21 7.34 0.04 -1.26 -1.81 135.00 140.61 2iuu s PRO 440 Ca 0.42 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2iuu s PRO 440 Cb 0.26 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.69 2iuu s PRO 440 CO -0.09 -0.14 -0.05 -0.51 0.04 0.00 0.00 177.00 176.24 2iuu s LEU 441 N -3.61 2.19 -0.50 -3.56 1.43 0.17 -4.03 118.68 110.77 2iuu s LEU 441 Ca 0.60 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 2iuu s LEU 441 Cb -0.09 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2iuu s LEU 441 CO 0.22 -0.22 0.80 0.00 0.23 0.00 0.00 176.35 177.38 2iuu s ALA 442 N 1.49 3.26 -0.03 4.21 0.00 -1.26 -0.67 121.76 128.76 2iuu s ALA 442 Ca -0.03 -1.26 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 2iuu s ALA 442 Cb -0.18 -3.53 -0.32 0.00 0.00 0.00 0.00 23.12 19.09 2iuu s ALA 442 CO -0.07 -2.10 0.93 -0.07 0.00 0.00 0.00 175.76 174.45 2iuu h LEU 443 N 10.33 0.55 0.00 0.00 3.38 -1.53 -3.43 115.31 124.60 2iuu h LEU 443 Ca -0.26 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.78 2iuu h LEU 443 Cb 1.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2iuu h LEU 443 CO 1.00 1.44 0.00 0.61 0.09 0.00 0.00 178.44 181.59 2iuu n GLY 444 N 1.63 -0.42 3.50 0.83 0.00 -1.24 -2.51 105.19 106.97 2iuu n GLY 444 Ca -0.14 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 2.62 1.04 1.61 3.76 -0.67 -0.81 115.29 118.84 2iuu s HIS 445 Ca 0.00 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.52 2iuu s HIS 445 Cb 0.00 -1.45 0.24 0.00 1.11 0.00 0.00 32.58 32.49 2iuu s HIS 445 CO 0.00 0.33 1.25 -0.40 -0.85 0.00 0.00 174.74 175.06 2iuu n ASP 446 N 1.24 -0.52 0.09 1.40 5.68 0.15 -0.15 116.55 124.43 2iuu n ASP 446 Ca -0.15 -1.39 0.06 0.00 -0.50 0.00 0.00 54.79 52.81 2iuu n ASP 446 Cb 0.52 -1.00 0.32 0.00 -1.14 0.00 0.00 41.12 39.82 2iuu n ASP 446 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2iuu n ILE 447 N -4.10 1.47 0.08 2.12 -6.64 -1.25 -1.16 119.36 109.88 2iuu n ILE 447 Ca 0.16 0.61 0.10 0.00 -1.77 0.00 0.00 62.75 61.85 2iuu n ILE 447 Cb 0.57 -1.61 0.20 0.00 -1.44 0.00 0.00 39.64 37.37 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 1.88 1.49 3.28 0.00 -1.26 -3.98 105.19 105.26 2iuu n GLY 448 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.22 0.89 3.79 -0.02 0.00 -0.30 -4.85 105.19 105.92 2iuu n GLY 449 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 4.44 0.20 1.61 0.52 -1.26 -4.69 118.95 119.28 2iuu s ARG 450 Ca 0.00 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 56.02 2iuu s ARG 450 Cb 0.00 -2.91 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 2iuu s ARG 450 CO 0.00 0.38 1.26 -1.25 0.02 0.00 0.00 175.30 175.70 2iuu s PRO 451 N -1.88 4.44 -0.40 3.54 0.04 -1.26 0.30 135.00 139.78 2iuu s PRO 451 Ca 0.45 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 2iuu s PRO 451 Cb -0.19 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.23 2iuu s PRO 451 CO 0.23 -0.16 0.21 0.42 0.04 0.00 0.00 177.00 177.74 2iuu s ILE 452 N -0.08 3.86 -0.14 0.56 -1.09 0.01 -4.88 121.20 119.44 2iuu s ILE 452 Ca 0.54 -1.53 -0.02 0.00 -2.23 0.00 0.00 60.65 57.42 2iuu s ILE 452 Cb -0.35 -3.40 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2iuu s ILE 452 CO 0.39 -0.49 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.89 2iuu s ILE 453 N 1.34 3.37 0.46 2.92 1.09 -1.26 -1.17 121.20 127.95 2iuu s ILE 453 Ca 0.03 -0.54 0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2iuu s ILE 453 Cb -0.22 -2.45 -0.03 0.00 -1.06 0.00 0.00 42.46 38.70 2iuu s ILE 453 CO 0.00 0.51 0.03 0.42 -0.10 0.00 0.00 174.94 175.80 2iuu s THR 454 N 0.38 1.27 -0.28 2.92 -4.23 0.15 -4.95 115.64 110.90 2iuu s THR 454 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 2iuu s THR 454 Cb -0.15 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.34 2iuu s THR 454 CO 0.04 0.00 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.49 2iuu s ASP 455 N -3.77 4.20 0.28 3.99 3.68 -1.26 -0.66 116.67 123.13 2iuu s ASP 455 Ca 0.17 -1.52 0.01 0.00 2.13 0.00 0.00 52.55 53.34 2iuu s ASP 455 Cb 0.04 -1.31 0.58 0.00 -1.45 0.00 0.00 42.92 40.78 2iuu s ASP 455 CO 0.09 -0.29 1.80 0.25 0.13 0.00 0.00 175.17 177.15 2iuu h LEU 456 N 7.86 0.75 -2.45 -1.34 6.46 -1.69 0.20 115.31 125.09 2iuu h LEU 456 Ca -0.14 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2iuu h LEU 456 Cb 1.05 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2iuu h LEU 456 CO 0.45 0.35 0.02 0.00 -0.62 0.00 0.00 178.44 178.64 2iuu h ALA 457 N 1.56 1.02 -0.01 1.25 0.00 -1.85 -1.43 119.26 119.79 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 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2iuu h ALA 457 CO -0.32 -0.02 -0.48 1.63 0.00 0.00 0.00 179.25 180.06 2iuu n LYS 458 N -2.81 1.34 -0.03 0.00 4.76 0.67 -4.64 118.16 117.45 2iuu n LYS 458 Ca -0.02 -0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 54.51 2iuu n LYS 458 Cb 0.07 -1.39 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 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 1.84 0.19 -0.52 1.97 2.86 -1.04 -3.47 114.93 116.77 2iuu h MET 459 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2iuu h MET 459 Cb 0.63 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2iuu h MET 459 CO 0.00 0.49 0.00 -0.35 1.06 0.00 0.00 176.91 178.11 2iuu n PRO 460 N -4.78 3.26 -3.96 -0.22 -0.04 -1.26 -4.25 135.00 123.76 2iuu n PRO 460 Ca -0.06 -2.64 -0.09 0.00 -0.04 0.00 0.00 63.50 60.67 2iuu n PRO 460 Cb 0.23 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.67 0.27 -0.02 0.54 3.76 -1.26 -4.18 115.29 112.73 2iuu s HIS 461 Ca 0.42 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2iuu s HIS 461 Cb 0.27 -0.19 0.01 0.00 1.11 0.00 0.00 32.58 33.77 2iuu s HIS 461 CO 0.21 -0.40 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.48 2iuu s LEU 462 N -2.44 1.69 -0.17 0.89 2.96 0.76 -4.15 118.68 118.21 2iuu s LEU 462 Ca -0.00 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2iuu s LEU 462 Cb 0.02 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 2iuu s LEU 462 CO -0.07 0.02 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.18 2iuu s LEU 463 N 0.35 3.17 -0.10 -0.68 1.43 -1.08 -0.43 118.68 121.33 2iuu s LEU 463 Ca -0.04 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2iuu s LEU 463 Cb -0.08 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2iuu s LEU 463 CO -0.00 0.12 -0.16 -0.69 0.23 0.00 0.00 176.35 175.85 2iuu s VAL 464 N 0.63 1.53 0.05 -1.59 1.01 0.20 -1.35 120.40 120.89 2iuu s VAL 464 Ca -0.02 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2iuu s VAL 464 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2iuu s VAL 464 CO 0.02 0.45 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 2iuu s ALA 465 N 0.81 0.98 0.00 5.51 0.00 -1.01 -0.60 121.76 127.45 2iuu s ALA 465 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2iuu s ALA 465 Cb -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2iuu s ALA 465 CO 0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.31 2iuu n GLY 466 N 1.56 1.15 3.73 0.00 0.00 -0.80 -0.58 105.19 110.25 2iuu n GLY 466 Ca -0.20 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2iuu n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iuu s THR 467 N -0.04 2.47 0.25 2.61 -4.23 -0.67 -4.10 115.64 111.93 2iuu s THR 467 Ca 0.00 0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.35 2iuu s THR 467 Cb 0.00 -2.73 -0.13 0.00 1.34 0.00 0.00 72.50 70.98 2iuu s THR 467 CO 0.00 -0.20 1.53 0.35 -0.54 0.00 0.00 174.62 175.76 2iuu n THR 468 N -3.86 0.79 -0.03 3.99 -2.24 -1.26 -1.63 114.28 110.04 2iuu n THR 468 Ca 0.06 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2iuu n THR 468 Cb 0.57 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 2.46 0.37 0.18 3.38 0.00 -1.26 -4.94 105.19 105.38 2iuu n GLY 469 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.59 -3.21 113.55 115.00 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 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 2iuu n GLY 471 N 0.98 1.29 0.22 -0.77 0.00 -1.26 -0.09 105.19 105.56 2iuu n GLY 471 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.71 -0.40 1.61 3.64 -1.90 -2.05 116.57 118.18 2iuu h LYS 472 Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2iuu h LYS 472 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2iuu h LYS 472 CO 0.00 0.87 0.21 0.77 -2.27 0.00 0.00 179.45 179.03 2iuu h SER 473 N 0.51 0.51 -0.76 4.20 0.02 -1.96 -0.94 113.55 115.12 2iuu h SER 473 Ca 0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2iuu h SER 473 Cb 0.62 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 2iuu h SER 473 CO 0.04 0.46 0.38 0.58 -1.14 0.00 0.00 176.83 177.16 2iuu h VAL 474 N 0.51 1.24 -0.20 2.27 2.07 -1.91 -1.71 116.25 118.52 2iuu h VAL 474 Ca 0.14 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2iuu h VAL 474 Cb 0.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2iuu h VAL 474 CO -0.02 0.27 -0.03 1.23 0.02 0.00 0.00 177.57 179.04 2iuu h GLY 475 N 1.06 0.32 1.19 2.17 0.00 -0.94 0.83 103.07 107.69 2iuu h GLY 475 Ca 0.26 -0.17 -0.21 0.00 0.00 0.00 0.00 47.33 47.22 2iuu h GLY 475 CO -0.04 0.16 -0.67 -2.08 0.00 0.00 0.00 176.54 173.91 2iuu h VAL 476 N 0.29 1.28 -0.46 4.60 2.07 -0.67 -1.63 116.25 121.72 2iuu h VAL 476 Ca 0.07 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2iuu h VAL 476 Cb 0.25 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2iuu h VAL 476 CO 0.01 0.60 0.10 0.78 0.02 0.00 0.00 177.57 179.08 2iuu h ASN 477 N 0.59 0.65 -0.53 0.57 2.35 -0.46 0.60 115.58 119.35 2iuu h ASN 477 Ca -0.02 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 2iuu h ASN 477 Cb 1.29 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 2iuu h ASN 477 CO 0.14 0.65 0.09 0.00 -1.65 0.00 0.00 177.43 176.67 2iuu h ALA 478 N 1.44 1.07 -0.03 -0.83 0.00 -0.65 0.53 119.26 120.79 2iuu h ALA 478 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iuu h ALA 478 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2iuu h ALA 478 CO -0.00 0.60 0.00 0.52 0.00 0.00 0.00 179.25 180.37 2iuu h MET 479 N 0.88 0.05 -0.44 0.00 2.86 -0.19 -1.74 114.93 116.35 2iuu h MET 479 Ca 0.18 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2iuu h MET 479 Cb 0.39 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2iuu h MET 479 CO 0.01 0.29 0.20 -0.07 1.06 0.00 0.00 176.91 178.40 2iuu h LEU 480 N -0.21 0.58 -1.79 1.22 3.38 -0.76 -2.40 115.31 115.33 2iuu h LEU 480 Ca 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2iuu h LEU 480 Cb 0.27 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2iuu h LEU 480 CO 0.00 0.56 -0.13 -0.07 0.09 0.00 0.00 178.44 178.89 2iuu h LEU 481 N 0.56 0.00 -1.04 1.67 4.07 -0.87 -1.08 115.31 118.63 2iuu h LEU 481 Ca 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2iuu h LEU 481 Cb 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 2iuu h LEU 481 CO -0.02 0.13 0.21 0.28 -1.08 0.00 0.00 178.44 177.97 2iuu h SER 482 N 0.00 0.83 0.18 -0.43 0.02 -0.79 -0.69 113.55 112.67 2iuu h SER 482 Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2iuu h SER 482 Cb 0.26 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2iuu h SER 482 CO 0.02 0.77 -0.09 0.40 -1.14 0.00 0.00 176.83 176.78 2iuu h ILE 483 N 0.88 0.70 -0.17 3.27 1.08 -1.17 -3.29 117.51 118.81 2iuu h ILE 483 Ca 0.20 -1.08 0.05 0.00 -0.39 0.00 0.00 64.86 63.64 2iuu h ILE 483 Cb 0.22 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2iuu h ILE 483 CO -0.01 0.19 0.28 -0.07 -0.69 0.00 0.00 178.15 177.85 2iuu h LEU 484 N -0.91 0.00 -0.78 1.44 3.38 -1.11 0.15 115.31 117.48 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2iuu h LEU 484 CO 0.04 0.00 -0.12 0.49 0.09 0.00 0.00 178.44 178.95 2iuu n PHE 485 N -3.45 0.00 0.00 1.13 0.99 -0.28 -4.35 117.46 111.50 2iuu n PHE 485 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2iuu n PHE 485 Cb 0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 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 -0.16 2.60 -4.31 -1.08 4.81 0.29 -4.95 118.16 115.36 2iuu n LYS 486 Ca 0.16 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.35 2iuu n LYS 486 Cb 0.36 -0.78 -0.12 0.00 0.02 0.00 0.00 35.03 34.51 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 -1.28 2.70 0.37 3.14 0.01 0.09 -5.03 113.70 113.69 2iuu s SER 487 Ca 0.00 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.58 2iuu s SER 487 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2iuu s SER 487 CO 0.00 0.07 0.54 0.42 0.41 0.00 0.00 173.24 174.68 2iuu s THR 488 N -1.21 4.27 0.65 1.44 -4.23 -1.26 -4.68 115.64 110.62 2iuu s THR 488 Ca 0.09 -0.77 0.32 0.00 -1.18 0.00 0.00 61.69 60.14 2iuu s THR 488 Cb -0.10 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.56 2iuu s THR 488 CO 0.05 -0.27 2.00 -0.65 -0.54 0.00 0.00 174.62 175.21 2iuu h PRO 489 N 0.73 0.00 -0.01 3.99 0.11 -1.89 0.12 132.00 135.05 2iuu h PRO 489 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2iuu h PRO 489 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2iuu h PRO 489 CO 0.56 0.00 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.09 2iuu n SER 490 N -3.11 1.14 -0.03 -2.05 3.41 -1.26 -3.87 113.62 107.85 2iuu n SER 490 Ca -0.01 -1.11 -0.03 0.00 -0.26 0.00 0.00 58.87 57.46 2iuu n SER 490 Cb 0.36 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.35 2.31 -3.69 4.33 1.02 0.34 -4.05 120.64 120.55 2iuu n GLU 491 Ca 0.15 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 2iuu n GLU 491 Cb 0.34 -1.21 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.26 -1.01 0.21 0.62 0.00 -0.65 -0.81 121.76 117.87 2iuu s ALA 492 Ca -0.04 1.47 0.11 0.00 0.00 0.00 0.00 51.96 53.50 2iuu s ALA 492 Cb 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 2iuu s ALA 492 CO 0.34 -0.31 -0.20 1.03 0.00 0.00 0.00 175.76 176.62 2iuu s ARG 493 N 1.52 1.67 0.05 0.00 1.81 0.47 -4.22 118.95 120.25 2iuu s ARG 493 Ca -0.09 -1.54 0.05 0.00 -1.72 0.00 0.00 55.73 52.44 2iuu s ARG 493 Cb -0.09 -1.89 -0.02 0.00 -0.45 0.00 0.00 34.95 32.50 2iuu s ARG 493 CO -0.12 0.39 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.23 2iuu s LEU 494 N -2.93 2.20 -0.20 2.53 1.43 -0.03 -0.67 118.68 121.00 2iuu s LEU 494 Ca 0.24 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2iuu s LEU 494 Cb -0.07 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.58 2iuu s LEU 494 CO 0.12 0.02 -0.09 -0.63 0.23 0.00 0.00 176.35 176.00 2iuu s ILE 495 N -0.94 1.61 -0.26 -0.59 1.01 -0.26 -1.01 121.20 120.77 2iuu s ILE 495 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 2iuu s ILE 495 Cb -0.08 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2iuu s ILE 495 CO 0.02 0.13 0.02 -0.04 0.00 0.00 0.00 174.94 175.07 2iuu s MET 496 N 1.40 3.25 -0.29 2.79 -1.94 -1.26 -1.00 119.30 122.25 2iuu s MET 496 Ca -0.02 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.14 2iuu s MET 496 Cb -0.17 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 2iuu s MET 496 CO -0.08 -0.32 0.13 0.42 -0.01 0.00 0.00 175.02 175.16 2iuu s ILE 497 N 1.49 4.58 -0.68 2.53 1.01 -0.33 -0.04 121.20 129.77 2iuu s ILE 497 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2iuu s ILE 497 Cb -0.16 -3.25 0.17 0.00 0.01 0.00 0.00 42.46 39.23 2iuu s ILE 497 CO 0.00 0.18 0.50 -0.67 0.00 0.00 0.00 174.94 174.95 2iuu n ASP 498 N 4.97 2.73 0.28 3.58 4.64 0.28 -1.61 116.55 131.43 2iuu n ASP 498 Ca -0.15 -3.15 0.10 0.00 -1.38 0.00 0.00 54.79 50.22 2iuu n ASP 498 Cb 0.50 -0.73 0.53 0.00 -1.04 0.00 0.00 41.12 40.38 2iuu n ASP 498 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2iuu h PRO 499 N 5.32 0.00 -4.83 -0.67 0.13 -1.84 -3.25 132.00 126.85 2iuu h PRO 499 Ca 0.16 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.62 2iuu h PRO 499 Cb 0.76 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.55 2iuu h PRO 499 CO 0.69 0.00 -0.75 0.15 -0.23 0.00 0.00 178.00 177.86 2iuu s LYS 500 N -3.83 2.41 0.00 0.86 1.02 -1.26 -4.95 119.74 113.98 2iuu s LYS 500 Ca -0.02 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.71 2iuu s LYS 500 Cb 0.06 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2iuu s LYS 500 CO 0.18 -0.57 0.00 -1.33 -0.92 0.00 0.00 175.35 172.71 2iuu n MET 501 N 4.55 0.00 0.00 1.68 2.81 -1.23 -3.95 117.12 120.98 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 0.43 -1.27 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 1.16 0.00 -0.40 4.03 0.00 -1.26 -4.73 117.00 115.81 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 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 2iuu n LEU 502 CO 0.00 0.00 0.51 -0.62 0.00 0.00 0.00 177.39 177.28 2iuu n GLU 503 N 0.00 -0.35 0.00 1.96 -0.58 -1.25 -2.50 120.64 117.92 2iuu n GLU 503 Ca 0.00 1.49 0.13 0.00 -0.42 0.00 0.00 57.16 58.37 2iuu n GLU 503 Cb 0.00 -2.20 0.50 0.00 -0.57 0.00 0.00 31.44 29.17 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 -5.31 0.24 0.07 -4.62 4.77 -1.26 -3.90 117.00 106.99 2iuu n LEU 504 Ca 0.05 0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.35 2iuu n LEU 504 Cb 0.31 -0.36 0.31 0.00 -2.33 0.00 0.00 43.42 41.36 2iuu n LEU 504 CO -0.15 0.06 0.70 -1.20 -1.33 0.00 0.00 177.39 175.47 2iuu n SER 505 N -1.40 0.27 0.12 -1.43 7.64 -1.04 -1.69 113.62 116.09 2iuu n SER 505 Ca 0.08 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.69 2iuu n SER 505 Cb 0.33 -0.65 0.45 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.84 0.70 0.84 0.44 0.00 -1.25 -2.97 119.36 115.28 2iuu n ILE 506 Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 62.75 62.82 2iuu n ILE 506 Cb 0.09 -0.85 0.28 0.00 0.00 0.00 0.00 39.64 39.16 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 -2.27 0.28 -1.61 9.51 4.02 -0.68 -4.94 117.16 121.46 2iuu n TYR 507 Ca 0.04 -0.14 -0.48 0.00 -0.01 0.00 0.00 57.90 57.31 2iuu n TYR 507 Cb 0.34 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.95 1.47 0.00 -0.72 4.07 -1.16 -2.70 120.64 122.55 2iuu n GLU 508 Ca 0.17 0.52 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 2iuu n GLU 508 Cb 0.49 -2.08 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 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 2.12 3.06 3.77 8.31 0.00 -1.26 -5.04 105.19 116.14 2iuu n GLY 509 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2iuu n GLY 509 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2iuu n ILE 510 N -2.00 2.72 0.33 -0.61 -5.35 -1.10 -3.68 119.36 109.68 2iuu n ILE 510 Ca 0.00 -0.50 0.19 0.00 -0.27 0.00 0.00 62.75 62.17 2iuu n ILE 510 Cb 0.00 -1.87 1.04 0.00 -1.74 0.00 0.00 39.64 37.07 2iuu n ILE 510 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2iuu h PRO 511 N 2.37 0.00 0.00 6.28 0.13 -1.78 -2.66 132.00 136.33 2iuu h PRO 511 Ca -0.51 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2iuu h PRO 511 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2iuu h PRO 511 CO 0.61 0.00 -0.28 0.45 -0.23 0.00 0.00 178.00 178.56 2iuu h HIS 512 N 0.00 0.00 -2.85 1.56 3.86 -1.88 -3.37 115.15 112.47 2iuu h HIS 512 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2iuu h HIS 512 Cb 0.27 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.79 2iuu h HIS 512 CO 0.00 0.28 0.95 -0.51 0.86 0.00 0.00 177.93 179.50 2iuu s LEU 513 N -6.75 4.37 0.28 2.43 1.43 -1.00 -0.85 118.68 118.58 2iuu s LEU 513 Ca 0.01 2.81 0.24 0.00 -1.03 0.00 0.00 54.13 56.16 2iuu s LEU 513 Cb 0.10 -3.60 0.48 0.00 0.03 0.00 0.00 46.19 43.19 2iuu s LEU 513 CO 0.66 -0.91 1.56 -0.07 0.23 0.00 0.00 176.35 177.82 2iuu h LEU 514 N 6.40 0.00 -7.90 1.79 3.38 -1.36 -3.40 115.31 114.21 2iuu h LEU 514 Ca -0.44 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.59 2iuu h LEU 514 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2iuu h LEU 514 CO 0.91 0.02 0.37 0.00 0.09 0.00 0.00 178.44 179.83 2iuu s PRO 516 N -2.98 1.00 -0.09 0.00 0.02 -1.26 -4.84 135.00 126.85 2iuu s PRO 516 Ca 0.15 1.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 2iuu s PRO 516 Cb -0.04 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 2iuu s PRO 516 CO 0.07 -2.52 1.94 0.08 -0.33 0.00 0.00 177.00 176.23 2iuu s VAL 517 N -2.74 3.20 -0.11 3.83 1.01 -1.26 -4.74 120.40 119.59 2iuu s VAL 517 Ca 0.65 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2iuu s VAL 517 Cb -0.21 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2iuu s VAL 517 CO 0.58 -0.07 1.70 -0.69 0.00 0.00 0.00 175.10 176.62 2iuu s VAL 518 N 5.62 3.55 -0.14 2.92 1.01 0.94 -4.86 120.40 129.44 2iuu s VAL 518 Ca 0.87 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.56 2iuu s VAL 518 Cb -0.36 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 2iuu s VAL 518 CO 0.36 -0.13 -0.05 0.41 0.00 0.00 0.00 175.10 175.69 2iuu n THR 519 N 5.93 0.88 -2.73 3.92 -1.04 -1.26 -0.55 114.28 119.41 2iuu n THR 519 Ca 0.19 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 2iuu n THR 519 Cb 0.44 -0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 -5.03 7.13 0.36 8.00 2.15 -1.26 -4.70 116.67 123.32 2iuu s ASP 520 Ca -0.14 1.40 0.09 0.00 0.43 0.00 0.00 52.55 54.33 2iuu s ASP 520 Cb 0.05 -2.53 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 2iuu s ASP 520 CO 0.43 -0.50 1.86 0.24 -0.17 0.00 0.00 175.17 177.04 2iuu h MET 521 N 7.26 0.24 -0.85 4.34 2.86 -1.96 -1.24 114.93 125.58 2iuu h MET 521 Ca -0.27 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 2iuu h MET 521 Cb 1.12 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 2iuu h MET 521 CO 0.88 0.44 0.42 0.87 1.06 0.00 0.00 176.91 180.58 2iuu h LYS 522 N 0.22 1.21 -0.41 1.72 1.79 -1.97 -0.52 116.57 118.62 2iuu h LYS 522 Ca 0.04 -0.17 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 2iuu h LYS 522 Cb 0.48 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2iuu h LYS 522 CO 0.03 0.92 -0.14 0.93 -1.08 0.00 0.00 179.45 180.11 2iuu h GLU 523 N 1.20 0.75 -0.72 3.15 5.08 -1.69 -2.55 114.58 119.80 2iuu h GLU 523 Ca 0.29 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2iuu h GLU 523 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2iuu h GLU 523 CO -0.04 0.86 0.47 0.00 -1.00 0.00 0.00 179.01 179.30 2iuu h ALA 524 N 1.17 0.92 -0.87 3.43 0.00 -0.21 -0.03 119.26 123.67 2iuu h ALA 524 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2iuu h ALA 524 Cb 0.62 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2iuu h ALA 524 CO 0.04 0.30 0.54 0.00 0.00 0.00 0.00 179.25 180.13 2iuu h ALA 525 N 1.28 1.19 -0.45 0.00 0.00 -0.74 -0.93 119.26 119.61 2iuu h ALA 525 Ca 0.27 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2iuu h ALA 525 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2iuu h ALA 525 CO -0.08 0.30 -0.05 -0.91 0.00 0.00 0.00 179.25 178.52 2iuu h ASN 526 N 1.00 0.75 -0.90 0.00 2.35 -0.93 -0.46 115.58 117.39 2iuu h ASN 526 Ca 0.37 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2iuu h ASN 526 Cb 0.15 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2iuu h ASN 526 CO -0.17 0.85 0.51 0.00 -1.65 0.00 0.00 177.43 176.98 2iuu h ALA 527 N 1.22 1.15 -0.44 -0.83 0.00 0.22 0.61 119.26 121.19 2iuu h ALA 527 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2iuu h ALA 527 Cb 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2iuu h ALA 527 CO 0.03 0.64 -0.02 -0.07 0.00 0.00 0.00 179.25 179.83 2iuu h LEU 528 N 1.26 0.79 -0.54 0.00 3.38 -0.70 -0.11 115.31 119.38 2iuu h LEU 528 Ca 0.32 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2iuu h LEU 528 Cb -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2iuu h LEU 528 CO -0.05 0.92 0.28 0.03 0.09 0.00 0.00 178.44 179.71 2iuu h ARG 529 N 0.64 0.76 -0.66 1.13 3.08 -0.33 -1.68 114.38 117.32 2iuu h ARG 529 Ca 0.12 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2iuu h ARG 529 Cb 0.53 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2iuu h ARG 529 CO 0.03 0.60 0.39 2.35 -1.07 0.00 0.00 179.97 182.27 2iuu h TRP 530 N 0.72 0.72 -0.96 3.04 7.01 0.51 -1.75 115.95 125.24 2iuu h TRP 530 Ca 0.19 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.22 2iuu h TRP 530 Cb 0.07 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 2iuu h TRP 530 CO -0.01 0.37 0.64 0.77 -2.79 0.00 0.00 178.44 177.42 2iuu h SER 531 N 0.73 1.11 -0.69 2.65 0.02 -0.40 0.10 113.55 117.07 2iuu h SER 531 Ca 0.28 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2iuu h SER 531 Cb 0.12 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2iuu h SER 531 CO -0.15 0.81 0.21 0.58 -1.14 0.00 0.00 176.83 177.14 2iuu h VAL 532 N 1.31 1.26 -0.08 2.27 2.07 -0.51 0.15 116.25 122.72 2iuu h VAL 532 Ca 0.35 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2iuu h VAL 532 Cb -0.15 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2iuu h VAL 532 CO -0.08 0.35 0.03 0.00 0.02 0.00 0.00 177.57 177.89 2iuu h ALA 533 N 1.09 0.11 -0.90 1.67 0.00 -0.55 0.05 119.26 120.74 2iuu h ALA 533 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2iuu h ALA 533 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2iuu h ALA 533 CO -0.01 -0.29 0.59 1.49 0.00 0.00 0.00 179.25 181.04 2iuu h GLU 534 N -0.05 1.14 0.12 0.00 4.57 -0.68 0.13 114.58 119.81 2iuu h GLU 534 Ca 0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2iuu h GLU 534 Cb 0.20 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2iuu h GLU 534 CO -0.00 0.75 -0.06 1.98 -1.18 0.00 0.00 179.01 180.50 2iuu h MET 535 N 1.17 -0.16 -0.94 1.92 4.05 -0.62 -0.66 114.93 119.70 2iuu h MET 535 Ca 0.34 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.82 2iuu h MET 535 Cb -0.07 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.71 2iuu h MET 535 CO -0.09 -0.04 0.60 0.93 0.23 0.00 0.00 176.91 178.55 2iuu h GLU 536 N -0.24 1.11 -0.53 0.39 4.39 -0.26 -1.72 114.58 117.73 2iuu h GLU 536 Ca -0.02 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2iuu h GLU 536 Cb 0.19 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2iuu h GLU 536 CO 0.03 0.73 0.16 -0.09 -1.16 0.00 0.00 179.01 178.68 2iuu h ARG 537 N 1.14 0.82 -0.40 2.33 2.43 -0.51 -1.97 114.38 118.22 2iuu h ARG 537 Ca 0.39 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2iuu h ARG 537 Cb 0.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2iuu h ARG 537 CO -0.14 0.76 0.16 0.00 -1.51 0.00 0.00 179.97 179.24 2iuu h ARG 538 N 0.73 0.61 -0.97 0.20 3.08 -0.64 0.59 114.38 117.98 2iuu h ARG 538 Ca 0.17 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.15 2iuu h ARG 538 Cb 0.29 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2iuu h ARG 538 CO -0.00 0.57 0.63 1.88 -1.07 0.00 0.00 179.97 181.98 2iuu h TYR 539 N 0.51 1.18 -0.47 3.04 -1.99 -1.18 0.27 116.97 118.33 2iuu h TYR 539 Ca 0.13 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 2iuu h TYR 539 Cb 0.20 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 38.51 2iuu h TYR 539 CO 0.00 0.67 0.21 -0.09 -0.00 0.00 0.00 178.16 178.95 2iuu h ARG 540 N 1.21 0.68 0.67 4.88 2.43 -0.93 -0.85 114.38 122.48 2iuu h ARG 540 Ca 0.39 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2iuu h ARG 540 Cb 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2iuu h ARG 540 CO -0.13 0.59 -0.39 1.25 -1.51 0.00 0.00 179.97 179.78 2iuu h LEU 541 N 0.61 -0.96 -1.52 3.80 6.46 0.30 -2.62 115.31 121.39 2iuu h LEU 541 Ca 0.16 0.05 0.23 0.00 -0.12 0.00 0.00 57.88 58.19 2iuu h LEU 541 Cb 0.14 0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 40.27 2iuu h LEU 541 CO -0.02 -0.61 0.63 0.24 -0.62 0.00 0.00 178.44 178.06 2iuu h MET 542 N -0.98 0.35 0.07 1.25 2.86 -0.43 -0.50 114.93 117.55 2iuu h MET 542 Ca -0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2iuu h MET 542 Cb 0.78 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2iuu h MET 542 CO 0.11 0.23 -0.03 0.00 1.06 0.00 0.00 176.91 178.28 2iuu h ALA 543 N 1.60 -0.09 -0.51 6.32 0.00 -0.93 -0.42 119.26 125.22 2iuu h ALA 543 Ca 0.50 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.38 2iuu h ALA 543 Cb 1.32 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2iuu h ALA 543 CO -0.19 -0.52 0.34 0.00 0.00 0.00 0.00 179.25 178.88 2iuu h ALA 544 N 0.76 1.71 0.00 0.00 0.00 -0.75 -2.07 119.26 118.91 2iuu h ALA 544 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iuu h ALA 544 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2iuu h ALA 544 CO 0.02 0.24 -0.01 0.52 0.00 0.00 0.00 179.25 180.02 2iuu h MET 545 N 0.62 0.00 -1.66 0.00 2.07 -0.92 -3.47 114.93 111.56 2iuu h MET 545 Ca 0.20 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.73 2iuu h MET 545 Cb 0.03 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.78 2iuu h MET 545 CO -0.05 0.00 -0.16 0.41 1.07 0.00 0.00 176.91 178.18 2iuu n GLY 546 N 1.22 0.42 3.44 8.32 0.00 -0.29 -5.04 105.19 113.27 2iuu n GLY 546 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.78 2.59 -0.24 1.61 1.01 -0.49 -5.05 120.40 117.05 2iuu s VAL 547 Ca 0.09 -1.57 0.22 0.00 0.00 0.00 0.00 61.98 60.73 2iuu s VAL 547 Cb -0.04 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2iuu s VAL 547 CO 0.11 0.13 1.07 0.03 0.00 0.00 0.00 175.10 176.45 2iuu h ARG 548 N 3.90 0.00 -2.43 2.72 3.08 -1.93 -3.40 114.38 116.31 2iuu h ARG 548 Ca -0.50 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.71 2iuu h ARG 548 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 2iuu h ARG 548 CO 0.43 0.01 0.49 0.54 -1.07 0.00 0.00 179.97 180.38 2iuu s ASN 549 N -5.44 -0.12 0.32 7.04 2.20 -1.26 -4.88 114.94 112.79 2iuu s ASN 549 Ca -0.00 -0.52 0.09 0.00 -0.94 0.00 0.00 52.86 51.49 2iuu s ASN 549 Cb 0.09 0.52 0.89 0.00 -2.00 0.00 0.00 41.25 40.75 2iuu s ASN 549 CO 0.78 -0.98 1.70 0.25 -2.94 0.00 0.00 177.10 175.91 2iuu h LEU 550 N 2.00 0.50 0.67 3.54 5.85 -1.32 0.24 115.31 126.79 2iuu h LEU 550 Ca -0.25 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2iuu h LEU 550 Cb 1.23 0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.37 2iuu h LEU 550 CO 0.29 -0.01 -0.32 0.00 -0.34 0.00 0.00 178.44 178.06 2iuu h ALA 551 N 1.76 -0.90 -0.66 1.25 0.00 -1.96 -0.43 119.26 118.32 2iuu h ALA 551 Ca 0.64 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2iuu h ALA 551 Cb 1.30 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2iuu h ALA 551 CO -0.54 -1.00 0.43 0.78 0.00 0.00 0.00 179.25 178.92 2iuu h GLY 552 N -0.91 0.88 0.99 0.00 0.00 -1.66 -1.23 103.07 101.14 2iuu h GLY 552 Ca -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2iuu h GLY 552 CO 0.15 0.25 -0.15 -2.75 0.00 0.00 0.00 176.54 174.04 2iuu h PHE 553 N 0.75 -0.38 0.00 5.60 3.57 -0.61 -2.21 116.94 123.65 2iuu h PHE 553 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2iuu h PHE 553 Cb 0.13 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2iuu h PHE 553 CO -0.00 -0.24 -0.11 -0.91 -2.23 0.00 0.00 178.31 174.83 2iuu h ASN 554 N -0.41 0.00 0.37 0.41 -0.26 -0.38 -2.01 115.58 113.30 2iuu h ASN 554 Ca -0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2iuu h ASN 554 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2iuu h ASN 554 CO 0.06 0.11 -0.18 0.03 -1.06 0.00 0.00 177.43 176.39 2iuu h ARG 555 N 0.00 -0.48 -0.77 0.81 3.08 -0.93 -0.44 114.38 115.65 2iuu h ARG 555 Ca -0.00 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.22 2iuu h ARG 555 Cb 0.21 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.23 2iuu h ARG 555 CO 0.01 -0.16 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.22 2iuu h LYS 556 N -0.86 -0.07 -0.25 0.04 1.63 -1.05 0.43 116.57 116.44 2iuu h LYS 556 Ca -0.05 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 2iuu h LYS 556 Cb 0.54 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2iuu h LYS 556 CO 0.08 -0.05 -0.31 -0.24 -3.45 0.00 0.00 179.45 175.49 2iuu h VAL 557 N -0.07 1.28 0.08 2.00 3.04 -1.36 -2.05 116.25 119.16 2iuu h VAL 557 Ca 0.31 -1.39 -0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2iuu h VAL 557 Cb 0.58 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2iuu h VAL 557 CO -0.81 0.44 -0.04 0.50 -1.01 0.00 0.00 177.57 176.65 2iuu h LYS 558 N 0.44 -0.10 -0.56 4.17 3.64 0.76 -2.57 116.57 122.35 2iuu h LYS 558 Ca 0.05 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2iuu h LYS 558 Cb 0.76 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.51 2iuu h LYS 558 CO 0.06 0.37 0.01 -0.44 -2.27 0.00 0.00 179.45 177.18 2iuu h ASP 559 N -0.63 -0.23 -0.73 4.20 3.32 -0.23 0.25 116.42 122.37 2iuu h ASP 559 Ca -0.01 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.31 2iuu h ASP 559 Cb 0.52 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 2iuu h ASP 559 CO 0.02 -0.09 0.29 0.00 -1.72 0.00 0.00 179.24 177.75 2iuu h ALA 560 N 1.50 1.02 -0.38 3.45 0.00 -1.35 0.24 119.26 123.73 2iuu h ALA 560 Ca 0.29 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 2iuu h ALA 560 Cb 0.45 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2iuu h ALA 560 CO -0.47 -0.19 -0.35 0.93 0.00 0.00 0.00 179.25 179.17 2iuu h GLU 561 N 0.45 0.88 0.00 0.00 5.08 -0.60 -2.14 114.58 118.25 2iuu h GLU 561 Ca 0.40 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2iuu h GLU 561 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2iuu h GLU 561 CO -0.38 1.09 0.00 0.93 -1.00 0.00 0.00 179.01 179.64 2iuu h GLU 562 N 0.73 0.00 -0.63 2.33 5.08 -0.12 -2.44 114.58 119.54 2iuu h GLU 562 Ca 0.07 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.14 2iuu h GLU 562 Cb 0.92 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.00 2iuu h GLU 562 CO 0.09 0.00 0.23 0.00 -1.00 0.00 0.00 179.01 178.33 2iuu n ALA 563 N -1.80 4.67 0.00 3.43 0.00 -0.02 -4.94 120.51 121.85 2iuu n ALA 563 Ca 0.02 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.61 2iuu n ALA 563 Cb 0.26 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.92 0.00 3.20 0.00 0.00 -0.92 -4.79 105.19 101.76 2iuu n GLY 564 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.14 4.34 -1.72 2.61 -1.04 -0.83 -4.96 114.28 111.55 2iuu n THR 565 Ca 0.00 -5.44 -0.37 0.00 -2.04 0.00 0.00 64.05 56.20 2iuu n THR 565 Cb 0.00 -2.43 0.06 0.00 -1.82 0.00 0.00 70.33 66.14 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 1.17 -2.20 -2.82 -0.04 -1.18 -4.47 135.00 127.73 2iuu n PRO 566 Ca 0.24 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.85 2iuu n PRO 566 Cb 0.37 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 -3.91 3.43 0.06 1.53 1.43 -1.26 -4.97 118.68 114.98 2iuu s LEU 567 Ca 0.80 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2iuu s LEU 567 Cb -0.39 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 2iuu s LEU 567 CO 0.42 -0.72 -0.22 0.28 0.23 0.00 0.00 176.35 176.34 2iuu s THR 568 N -2.94 1.76 -0.35 5.49 -1.32 -1.26 -1.41 115.64 115.61 2iuu s THR 568 Ca 0.53 -1.29 -0.37 0.00 -1.21 0.00 0.00 61.69 59.35 2iuu s THR 568 Cb -0.11 -1.53 -0.13 0.00 -1.51 0.00 0.00 72.50 69.22 2iuu s THR 568 CO 0.47 0.18 2.12 -0.67 -2.21 0.00 0.00 174.62 174.51 2iuu n ASP 569 N 1.69 2.06 0.13 8.08 -0.08 -0.52 -4.79 116.55 123.13 2iuu n ASP 569 Ca -0.17 0.54 0.13 0.00 -1.51 0.00 0.00 54.79 53.77 2iuu n ASP 569 Cb 0.53 -1.21 0.46 0.00 2.34 0.00 0.00 41.12 43.24 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 11.30 0.00 -0.63 -0.67 0.13 -1.95 -2.94 132.00 137.24 2iuu h PRO 570 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2iuu h PRO 570 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2iuu h PRO 570 CO 1.02 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 2iuu n LEU 571 N -2.32 3.92 -4.72 1.56 4.77 -1.26 -4.93 117.00 114.02 2iuu n LEU 571 Ca 0.03 -1.98 -0.41 0.00 -0.03 0.00 0.00 56.01 53.63 2iuu n LEU 571 Cb 0.31 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2iuu n LEU 571 CO 0.24 0.62 0.52 0.12 -1.33 0.00 0.00 177.39 177.57 2iuu s PHE 572 N -1.89 3.67 -0.25 -1.77 2.19 -1.11 -5.04 117.98 113.78 2iuu s PHE 572 Ca 0.40 1.49 -0.02 0.00 0.33 0.00 0.00 56.93 59.13 2iuu s PHE 572 Cb 0.26 -2.92 0.02 0.00 -1.31 0.00 0.00 43.02 39.08 2iuu s PHE 572 CO 0.17 0.13 -0.05 -0.98 1.83 0.00 0.00 175.22 176.33 2iuu s ARG 573 N 0.52 2.85 0.23 10.12 1.70 -1.26 -5.06 118.95 128.05 2iuu s ARG 573 Ca 0.43 -0.97 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 2iuu s ARG 573 Cb -0.20 -3.03 -0.10 0.00 -0.57 0.00 0.00 34.95 31.05 2iuu s ARG 573 CO 0.23 -0.41 1.51 1.03 -1.08 0.00 0.00 175.30 176.59 2iuu s ARG 574 N 1.34 4.22 -0.00 3.89 0.52 -1.26 -4.88 118.95 122.78 2iuu s ARG 574 Ca 0.00 2.38 0.01 0.00 -0.52 0.00 0.00 55.73 57.60 2iuu s ARG 574 Cb -0.17 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2iuu s ARG 574 CO -0.04 -0.52 0.05 0.39 0.02 0.00 0.00 175.30 175.20 2iuu n GLU 575 N 2.80 5.60 -3.82 3.54 1.02 -1.26 -5.03 120.64 123.49 2iuu n GLU 575 Ca 0.09 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2iuu n GLU 575 Cb 0.39 -0.63 -0.08 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.28 -0.00 0.57 1.62 0.15 -1.26 -5.02 113.70 108.49 2iuu s SER 576 Ca 0.00 -0.36 0.37 0.00 0.70 0.00 0.00 55.95 56.66 2iuu s SER 576 Cb 0.01 0.32 1.80 0.00 -1.71 0.00 0.00 66.02 66.44 2iuu s SER 576 CO 0.05 -0.61 2.12 -0.65 1.20 0.00 0.00 173.24 175.36 2iuu h PRO 577 N 3.25 0.00 0.05 5.44 0.11 -2.04 -2.88 132.00 135.93 2iuu h PRO 577 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 2iuu h PRO 577 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2iuu h PRO 577 CO 0.49 0.00 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.81 2iuu h ASP 578 N 0.00 -0.06 -0.63 -2.05 3.45 -2.02 -3.46 116.42 111.65 2iuu h ASP 578 Ca 0.00 -0.61 -0.50 0.00 0.43 0.00 0.00 57.03 56.36 2iuu h ASP 578 Cb 0.26 0.01 0.03 0.00 -0.56 0.00 0.00 39.33 39.07 2iuu h ASP 578 CO 0.00 0.66 0.04 0.47 -1.57 0.00 0.00 179.24 178.84 2iuu n ASP 579 N -4.77 0.00 -4.20 6.45 10.43 -1.09 -4.95 116.55 118.43 2iuu n ASP 579 Ca -0.08 0.73 -0.28 0.00 2.57 0.00 0.00 54.79 57.73 2iuu n ASP 579 Cb 0.32 -0.58 -0.16 0.00 1.84 0.00 0.00 41.12 42.55 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 1.92 -0.06 -1.24 2.02 -1.26 -4.92 118.70 115.19 2iuu s GLU 580 Ca 0.57 -0.73 -0.32 0.00 0.02 0.00 0.00 54.97 54.51 2iuu s GLU 580 Cb -0.80 -1.72 -0.10 0.00 0.10 0.00 0.00 34.13 31.61 2iuu s GLU 580 CO 0.36 0.35 1.96 -2.30 0.02 0.00 0.00 175.26 175.65 2iuu n PRO 581 N 2.89 2.39 -1.71 0.39 -0.02 -1.26 -4.94 135.00 132.74 2iuu n PRO 581 Ca -0.17 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 2iuu n PRO 581 Cb 0.53 -2.83 0.06 0.00 -0.02 0.00 0.00 33.50 31.24 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 4.50 2.56 0.26 0.52 0.04 -1.26 -4.77 135.00 136.86 2iuu s PRO 582 Ca 0.93 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 63.47 2iuu s PRO 582 Cb -0.57 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 2iuu s PRO 582 CO 0.47 -1.51 0.88 -1.14 0.04 0.00 0.00 177.00 175.74 2iuu s GLN 583 N -3.68 4.59 0.29 4.56 0.74 -1.26 -1.44 119.66 123.45 2iuu s GLN 583 Ca 0.75 1.26 -0.28 0.00 0.05 0.00 0.00 55.36 57.14 2iuu s GLN 583 Cb -0.29 -2.99 -0.09 0.00 1.10 0.00 0.00 33.01 30.74 2iuu s GLN 583 CO 0.40 0.40 0.97 -0.51 -0.55 0.00 0.00 175.29 175.99 2iuu s LEU 584 N -1.71 4.49 0.15 3.68 1.43 -0.50 -4.76 118.68 121.45 2iuu s LEU 584 Ca 0.45 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 2iuu s LEU 584 Cb -0.21 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 2iuu s LEU 584 CO 0.25 -0.00 -0.14 -0.94 0.23 0.00 0.00 176.35 175.76 2iuu s SER 585 N -1.32 2.12 0.44 2.29 1.04 -1.26 -4.75 113.70 112.26 2iuu s SER 585 Ca 0.46 -0.90 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 2iuu s SER 585 Cb -0.24 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.72 2iuu s SER 585 CO 0.30 -0.18 1.38 0.35 0.98 0.00 0.00 173.24 176.06 2iuu n THR 586 N 0.18 2.75 -3.75 2.02 -2.24 -1.26 -5.00 114.28 106.98 2iuu n THR 586 Ca -0.13 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.80 2iuu n THR 586 Cb 0.58 -1.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.36 4.38 0.55 3.22 1.43 -1.26 -5.02 118.68 119.62 2iuu s LEU 587 Ca 0.61 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.20 2iuu s LEU 587 Cb -0.47 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2iuu s LEU 587 CO 0.57 0.27 0.93 -2.16 0.23 0.00 0.00 176.35 176.19 2iuu s PRO 588 N -1.64 3.61 -0.00 1.29 0.04 -1.26 -4.88 135.00 132.16 2iuu s PRO 588 Ca 0.26 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2iuu s PRO 588 Cb -0.13 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2iuu s PRO 588 CO 0.15 -0.39 0.97 0.99 0.04 0.00 0.00 177.00 178.76 2iuu s THR 589 N -2.94 4.87 -0.15 1.26 2.01 0.01 -4.82 115.64 115.88 2iuu s THR 589 Ca 0.52 2.05 -0.10 0.00 0.31 0.00 0.00 61.69 64.47 2iuu s THR 589 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2iuu s THR 589 CO 0.48 0.16 0.18 -0.63 -0.69 0.00 0.00 174.62 174.11 2iuu s ILE 590 N 1.04 5.41 -0.10 1.82 -1.09 0.38 -0.40 121.20 128.25 2iuu s ILE 590 Ca 0.52 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 2iuu s ILE 590 Cb -0.21 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2iuu s ILE 590 CO 0.27 0.52 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.67 2iuu s VAL 591 N -0.32 1.40 -0.27 2.92 1.01 0.16 -0.78 120.40 124.52 2iuu s VAL 591 Ca 0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2iuu s VAL 591 Cb -0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2iuu s VAL 591 CO 0.03 0.42 0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2iuu s VAL 592 N 1.04 3.93 -0.14 2.92 1.01 0.25 -1.10 120.40 128.30 2iuu s VAL 592 Ca -0.06 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2iuu s VAL 592 Cb -0.15 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2iuu s VAL 592 CO -0.02 0.22 -0.13 0.68 0.00 0.00 0.00 175.10 175.84 2iuu s VAL 593 N 1.52 2.93 -0.32 2.92 -7.23 -0.17 -0.65 120.40 119.40 2iuu s VAL 593 Ca 0.04 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2iuu s VAL 593 Cb -0.16 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.60 2iuu s VAL 593 CO 0.02 0.52 0.05 -0.69 -0.31 0.00 0.00 175.10 174.68 2iuu s VAL 594 N 0.57 3.24 0.17 1.32 1.01 0.47 -1.18 120.40 126.00 2iuu s VAL 594 Ca -0.08 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 2iuu s VAL 594 Cb -0.16 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2iuu s VAL 594 CO 0.03 -0.18 1.71 -0.78 0.00 0.00 0.00 175.10 175.88 2iuu h ASP 595 N 8.07 -0.10 -2.21 3.32 -0.00 -1.57 -1.41 116.42 122.52 2iuu h ASP 595 Ca -0.21 0.09 -0.58 0.00 -0.00 0.00 0.00 57.03 56.33 2iuu h ASP 595 Cb 1.07 0.14 -0.39 0.00 -0.00 0.00 0.00 39.33 40.15 2iuu h ASP 595 CO 0.57 -0.01 -1.01 1.21 -0.00 0.00 0.00 179.24 179.99 2iuu n GLU 596 N -5.16 0.60 0.20 0.28 4.07 -1.22 -4.00 120.64 115.41 2iuu n GLU 596 Ca 0.03 -3.31 0.13 0.00 -0.06 0.00 0.00 57.16 53.95 2iuu n GLU 596 Cb 0.21 -1.50 0.68 0.00 -0.06 0.00 0.00 31.44 30.78 2iuu n GLU 596 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2iuu h PHE 597 N 4.78 0.00 -0.03 4.31 -5.15 -1.42 0.15 116.94 119.58 2iuu h PHE 597 Ca 0.17 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.81 2iuu h PHE 597 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.03 2iuu h PHE 597 CO 0.35 0.00 -0.58 0.00 -2.00 0.00 0.00 178.31 176.08 2iuu h ALA 598 N 1.87 0.96 -0.29 12.09 0.00 -1.94 -1.65 119.26 130.30 2iuu h ALA 598 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 2iuu h ALA 598 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2iuu h ALA 598 CO 0.00 0.72 -0.52 -0.44 0.00 0.00 0.00 179.25 179.01 2iuu h ASP 599 N 0.08 0.95 -0.44 0.00 3.32 -1.09 -1.52 116.42 117.72 2iuu h ASP 599 Ca -0.00 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2iuu h ASP 599 Cb 1.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2iuu h ASP 599 CO 0.08 1.29 0.19 -0.03 -1.72 0.00 0.00 179.24 179.05 2iuu h MET 600 N 0.66 0.65 -0.55 3.56 4.05 -1.40 -0.26 114.93 121.64 2iuu h MET 600 Ca 0.02 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2iuu h MET 600 Cb 1.12 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2iuu h MET 600 CO 0.12 0.59 0.35 0.52 0.23 0.00 0.00 176.91 178.71 2iuu h MET 601 N 0.57 0.74 -0.04 0.39 2.86 -1.30 0.83 114.93 118.97 2iuu h MET 601 Ca 0.15 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2iuu h MET 601 Cb 0.17 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2iuu h MET 601 CO -0.01 0.51 0.03 1.98 1.06 0.00 0.00 176.91 180.47 2iuu h MET 602 N 0.74 0.06 -0.23 1.72 -1.53 -0.81 0.06 114.93 114.94 2iuu h MET 602 Ca 0.20 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.33 2iuu h MET 602 Cb -0.05 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 30.99 2iuu h MET 602 CO -0.04 0.10 -0.35 0.82 0.14 0.00 0.00 176.91 177.58 2iuu h ILE 603 N 0.00 1.32 0.06 1.77 2.04 -0.95 -3.38 117.51 118.37 2iuu h ILE 603 Ca 0.02 -1.56 -0.30 0.00 1.00 0.00 0.00 64.86 64.02 2iuu h ILE 603 Cb 0.06 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2iuu h ILE 603 CO -0.00 0.49 -1.61 0.52 0.00 0.00 0.00 178.15 177.54 2iuu n VAL 604 N -4.26 1.65 0.00 1.67 0.31 0.27 -5.05 118.33 112.93 2iuu n VAL 604 Ca -0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2iuu n VAL 604 Cb 0.51 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2iuu n VAL 604 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iuu n GLY 605 N 1.68 0.03 0.49 2.92 0.00 0.00 -4.76 105.19 105.55 2iuu n GLY 605 Ca -0.32 -2.29 0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 8.02 0.00 0.00 1.61 2.10 -1.97 -1.77 116.57 124.56 2iuu h LYS 606 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2iuu h LYS 606 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2iuu h LYS 606 CO 0.00 0.00 -0.15 0.87 -2.00 0.00 0.00 179.45 178.17 2iuu h LYS 607 N 0.00 0.00 0.23 0.07 1.57 -1.96 -2.42 116.57 114.07 2iuu h LYS 607 Ca 0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2iuu h LYS 607 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2iuu h LYS 607 CO -0.00 0.15 -0.11 0.28 -0.57 0.00 0.00 179.45 179.19 2iuu h VAL 608 N 0.00 0.83 -0.45 0.50 2.07 -1.66 -0.87 116.25 116.66 2iuu h VAL 608 Ca -0.00 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2iuu h VAL 608 Cb 0.32 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2iuu h VAL 608 CO 0.02 0.08 0.12 -0.08 0.02 0.00 0.00 177.57 177.73 2iuu h GLU 609 N -0.50 0.26 -0.72 1.57 4.81 -1.66 0.66 114.58 119.01 2iuu h GLU 609 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2iuu h GLU 609 Cb 0.37 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2iuu h GLU 609 CO 0.05 0.17 0.42 0.93 -0.73 0.00 0.00 179.01 179.86 2iuu h GLU 610 N 0.27 0.99 -0.21 1.92 5.08 -1.32 -0.76 114.58 120.56 2iuu h GLU 610 Ca 0.22 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2iuu h GLU 610 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2iuu h GLU 610 CO -0.26 0.71 0.03 -0.07 -1.00 0.00 0.00 179.01 178.42 2iuu h LEU 611 N 0.99 0.34 -0.34 1.33 3.38 -0.56 -1.44 115.31 119.01 2iuu h LEU 611 Ca 0.26 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2iuu h LEU 611 Cb -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2iuu h LEU 611 CO -0.05 0.53 -0.07 0.40 0.09 0.00 0.00 178.44 179.34 2iuu h ILE 612 N 0.14 0.68 -0.89 1.22 1.08 -0.53 0.14 117.51 119.35 2iuu h ILE 612 Ca 0.06 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2iuu h ILE 612 Cb 0.34 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 2iuu h ILE 612 CO 0.01 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 178.05 2iuu h ALA 613 N 1.33 1.45 -0.30 1.87 0.00 -1.00 0.50 119.26 123.11 2iuu h ALA 613 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2iuu h ALA 613 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2iuu h ALA 613 CO -0.33 0.47 -0.12 -0.09 0.00 0.00 0.00 179.25 179.17 2iuu h ARG 614 N 1.10 0.61 0.74 0.00 2.43 -0.43 -1.72 114.38 117.11 2iuu h ARG 614 Ca 0.35 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2iuu h ARG 614 Cb 0.03 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2iuu h ARG 614 CO -0.11 0.83 -0.35 0.82 -1.51 0.00 0.00 179.97 179.65 2iuu h ILE 615 N 0.36 0.18 -0.05 1.20 1.08 -0.48 -3.13 117.51 116.68 2iuu h ILE 615 Ca 0.07 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2iuu h ILE 615 Cb 0.63 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2iuu h ILE 615 CO 0.04 0.01 0.14 0.00 -0.69 0.00 0.00 178.15 177.65 2iuu h ALA 616 N -0.96 1.33 0.00 1.87 0.00 -0.93 0.22 119.26 120.78 2iuu h ALA 616 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iuu h ALA 616 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2iuu h ALA 616 CO 0.17 -0.16 -0.40 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 -1.25 -3.41 115.11 110.45 2iuu h GLN 617 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2iuu h GLN 617 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2iuu h GLN 617 CO -0.00 0.00 -0.02 1.17 0.00 0.00 0.00 178.83 179.98 2iuu n LYS 618 N -2.57 5.14 0.08 1.69 4.81 -0.88 -4.93 118.16 121.50 2iuu n LYS 618 Ca 0.03 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.61 2iuu n LYS 618 Cb 0.49 -0.45 0.64 0.00 0.02 0.00 0.00 35.03 35.73 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 2.23 -0.87 3.14 0.00 -0.83 -3.37 119.26 119.56 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 619 CO 0.00 -0.33 0.00 -2.13 0.00 0.00 0.00 179.25 176.79 2iuu n ARG 620 N -4.45 0.00 -0.13 0.00 0.63 -1.26 -1.40 116.66 110.05 2iuu n ARG 620 Ca 0.05 0.85 0.28 0.00 -0.92 0.00 0.00 57.85 58.11 2iuu n ARG 620 Cb 0.38 -1.35 0.69 0.00 0.45 0.00 0.00 32.46 32.63 2iuu n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2iuu h ALA 621 N -1.30 2.69 -0.00 5.13 0.00 -1.90 0.22 119.26 124.09 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 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2iuu h ALA 621 CO 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 179.25 177.94 2iuu n ALA 622 N -2.50 2.71 -0.64 0.00 0.00 -0.49 -0.96 120.51 118.62 2iuu n ALA 622 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2iuu n ALA 622 Cb 1.04 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.41 0.62 3.55 0.00 0.00 0.77 -4.67 105.19 106.87 2iuu n GLY 623 Ca 0.10 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 4.15 0.03 -0.61 1.09 -1.18 -0.47 121.20 122.21 2iuu s ILE 624 Ca 0.00 -0.27 0.03 0.00 -1.10 0.00 0.00 60.65 59.32 2iuu s ILE 624 Cb 0.00 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 2iuu s ILE 624 CO 0.00 0.49 -0.11 -1.00 -0.10 0.00 0.00 174.94 174.23 2iuu s HIS 625 N 0.26 0.92 -0.13 3.97 3.76 0.04 -4.01 115.29 120.11 2iuu s HIS 625 Ca -0.01 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 2iuu s HIS 625 Cb -0.13 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 2iuu s HIS 625 CO 0.02 -0.01 0.09 -0.51 -0.85 0.00 0.00 174.74 173.49 2iuu s LEU 626 N -1.01 4.07 -0.27 0.89 1.02 -1.26 -0.58 118.68 121.54 2iuu s LEU 626 Ca -0.01 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.44 2iuu s LEU 626 Cb -0.07 -1.99 0.08 0.00 0.02 0.00 0.00 46.19 44.22 2iuu s LEU 626 CO 0.01 0.33 0.00 -0.63 0.02 0.00 0.00 176.35 176.08 2iuu s ILE 627 N -0.58 1.47 -0.20 -0.59 -1.09 0.18 -0.17 121.20 120.21 2iuu s ILE 627 Ca 0.12 -1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 57.08 2iuu s ILE 627 Cb -0.12 -1.89 -0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2iuu s ILE 627 CO 0.02 -0.33 -0.08 -0.76 -1.23 0.00 0.00 174.94 172.57 2iuu s LEU 628 N 1.38 2.76 0.19 2.97 1.43 0.43 -0.40 118.68 127.44 2iuu s LEU 628 Ca 0.01 -0.42 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2iuu s LEU 628 Cb -0.18 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2iuu s LEU 628 CO -0.11 0.01 -0.23 0.00 0.23 0.00 0.00 176.35 176.25 2iuu s ALA 629 N 1.30 2.41 0.00 4.21 0.00 -0.53 0.59 121.76 129.75 2iuu s ALA 629 Ca 0.04 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 2iuu s ALA 629 Cb -0.14 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.76 2iuu s ALA 629 CO -0.04 0.39 0.68 -0.08 0.00 0.00 0.00 175.76 176.71 2iuu s THR 630 N -1.74 0.00 -1.75 0.00 -1.32 0.23 -1.56 115.64 109.50 2iuu s THR 630 Ca 0.19 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.86 2iuu s THR 630 Cb -0.07 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2iuu s THR 630 CO 0.09 0.00 0.96 0.00 -2.21 0.00 0.00 174.62 173.46 2iuu n GLN 631 N 0.49 1.48 -3.21 7.08 6.02 -1.26 -1.90 117.38 126.08 2iuu n GLN 631 Ca -0.18 -0.91 -0.34 0.00 -0.01 0.00 0.00 57.00 55.57 2iuu n GLN 631 Cb 0.59 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.05 3.42 -2.01 -1.09 1.74 -1.26 -4.30 116.66 113.11 2iuu n ARG 632 Ca 0.08 -4.64 -0.33 0.00 -0.77 0.00 0.00 57.85 52.18 2iuu n ARG 632 Cb 0.40 -2.36 -0.05 0.00 -1.02 0.00 0.00 32.46 29.43 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 0.93 1.91 -4.46 5.56 -0.02 -1.26 -4.68 135.00 132.97 2iuu n PRO 633 Ca 0.29 -2.53 -0.27 0.00 -2.02 0.00 0.00 63.50 58.98 2iuu n PRO 633 Cb 0.37 -3.56 -0.10 0.00 -0.02 0.00 0.00 33.50 30.20 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 5.75 4.03 0.49 2.55 1.04 -1.26 -4.62 113.70 121.68 2iuu s SER 634 Ca 0.64 -1.25 0.18 0.00 0.48 0.00 0.00 55.95 56.00 2iuu s SER 634 Cb 0.03 -0.43 1.23 0.00 0.10 0.00 0.00 66.02 66.96 2iuu s SER 634 CO 0.12 -0.43 2.08 0.58 0.98 0.00 0.00 173.24 176.57 2iuu h VAL 635 N 1.71 0.95 0.00 5.02 2.07 -1.91 0.00 116.25 124.10 2iuu h VAL 635 Ca -0.43 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2iuu h VAL 635 Cb 1.25 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2iuu h VAL 635 CO 0.76 0.10 -0.46 0.44 0.02 0.00 0.00 177.57 178.43 2iuu h ASP 636 N 0.00 0.00 0.00 0.57 3.45 -1.95 -3.33 116.42 115.16 2iuu h ASP 636 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2iuu h ASP 636 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2iuu h ASP 636 CO 0.01 0.46 -0.74 0.52 -1.57 0.00 0.00 179.24 177.93 2iuu n VAL 637 N -3.60 1.25 -2.42 -1.35 0.31 -0.66 -4.60 118.33 107.27 2iuu n VAL 637 Ca -0.00 0.21 -0.43 0.00 -0.01 0.00 0.00 64.34 64.11 2iuu n VAL 637 Cb 0.56 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 -4.19 3.93 -1.98 2.52 5.41 -0.10 -4.91 119.36 120.05 2iuu n ILE 638 Ca -0.10 -3.99 -0.29 0.00 1.00 0.00 0.00 62.75 59.37 2iuu n ILE 638 Cb 0.38 -2.44 0.12 0.00 -0.71 0.00 0.00 39.64 36.99 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 3.01 2.04 0.21 1.39 -4.23 -1.25 -4.68 115.64 112.13 2iuu s THR 639 Ca 0.48 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 2iuu s THR 639 Cb 0.06 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 71.07 2iuu s THR 639 CO 0.01 0.00 1.88 1.23 -0.54 0.00 0.00 174.62 177.21 2iuu h GLY 640 N -1.15 1.08 0.97 3.99 0.00 -1.92 0.32 103.07 106.36 2iuu h GLY 640 Ca -0.45 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 2iuu h GLY 640 CO 0.56 0.40 -0.07 1.41 0.00 0.00 0.00 176.54 178.84 2iuu h LEU 641 N 1.04 -0.16 -0.05 3.11 3.38 -1.95 0.43 115.31 121.10 2iuu h LEU 641 Ca 0.28 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2iuu h LEU 641 Cb -0.12 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2iuu h LEU 641 CO -0.06 -0.11 -0.03 0.40 0.09 0.00 0.00 178.44 178.73 2iuu h ILE 642 N -0.17 0.90 -0.10 1.22 1.08 -1.73 -2.86 117.51 115.84 2iuu h ILE 642 Ca -0.01 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.38 2iuu h ILE 642 Cb 0.14 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2iuu h ILE 642 CO 0.01 0.00 -0.28 0.11 -0.69 0.00 0.00 178.15 177.30 2iuu h LYS 643 N -0.03 0.19 -0.50 2.37 1.57 -0.20 -3.35 116.57 116.61 2iuu h LYS 643 Ca 0.03 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2iuu h LYS 643 Cb 0.08 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 2iuu h LYS 643 CO -0.07 0.46 -0.21 0.00 -0.57 0.00 0.00 179.45 179.06 2iuu n ALA 644 N -2.48 -0.10 -1.75 3.86 0.00 0.15 -1.74 120.51 118.45 2iuu n ALA 644 Ca -0.01 0.49 0.06 0.00 0.00 0.00 0.00 53.44 53.98 2iuu n ALA 644 Cb 0.37 -0.20 0.15 0.00 0.00 0.00 0.00 19.45 19.77 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 -4.73 1.56 -3.73 0.00 4.13 -1.26 -4.82 115.26 106.42 2iuu n ASN 645 Ca 0.05 -3.35 -0.28 0.00 1.68 0.00 0.00 54.58 52.68 2iuu n ASN 645 Cb 0.19 -0.46 -0.11 0.00 -1.54 0.00 0.00 39.78 37.87 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 -0.77 1.73 0.22 2.41 5.41 -0.71 -4.78 119.36 122.87 2iuu n ILE 646 Ca 0.15 -4.92 0.08 0.00 1.00 0.00 0.00 62.75 59.07 2iuu n ILE 646 Cb 0.78 -2.14 0.47 0.00 -0.71 0.00 0.00 39.64 38.04 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 5.02 0.00 -6.00 0.38 0.13 -1.82 -3.44 132.00 126.26 2iuu h PRO 647 Ca 0.17 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.73 2iuu h PRO 647 Cb 0.73 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.80 2iuu h PRO 647 CO 0.74 0.27 0.17 0.99 -0.23 0.00 0.00 178.00 179.94 2iuu s THR 648 N -3.86 5.00 -0.01 1.56 2.01 -1.26 -4.28 115.64 114.81 2iuu s THR 648 Ca -0.01 1.49 0.04 0.00 0.31 0.00 0.00 61.69 63.52 2iuu s THR 648 Cb 0.12 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2iuu s THR 648 CO 0.65 0.19 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.53 2iuu s ARG 649 N 1.19 0.93 -0.07 4.92 1.81 -0.65 -2.64 118.95 124.44 2iuu s ARG 649 Ca 0.38 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 54.00 2iuu s ARG 649 Cb -0.17 -0.90 -0.00 0.00 -0.45 0.00 0.00 34.95 33.43 2iuu s ARG 649 CO 0.17 0.25 -0.21 0.42 -0.68 0.00 0.00 175.30 175.24 2iuu s ILE 650 N -0.30 1.76 -0.09 1.52 1.09 -0.45 0.39 121.20 125.12 2iuu s ILE 650 Ca 0.04 -0.88 -0.00 0.00 -1.10 0.00 0.00 60.65 58.71 2iuu s ILE 650 Cb -0.05 -1.52 0.02 0.00 -1.06 0.00 0.00 42.46 39.86 2iuu s ILE 650 CO -0.00 0.50 -0.05 0.00 -0.10 0.00 0.00 174.94 175.28 2iuu s ALA 651 N 0.16 1.07 0.56 9.38 0.00 -0.10 -2.41 121.76 130.42 2iuu s ALA 651 Ca -0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 2iuu s ALA 651 Cb -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2iuu s ALA 651 CO 0.05 -0.37 0.10 1.19 0.00 0.00 0.00 175.76 176.72 2iuu n PHE 652 N 4.89 -3.50 -1.87 0.00 3.72 0.25 -0.74 117.46 120.20 2iuu n PHE 652 Ca -0.12 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 2iuu n PHE 652 Cb 0.50 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.78 4.18 0.28 -1.08 0.74 -1.24 -4.68 119.66 115.08 2iuu s GLN 653 Ca 0.06 2.45 0.11 0.00 0.05 0.00 0.00 55.36 58.03 2iuu s GLN 653 Cb -0.00 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 2iuu s GLN 653 CO 0.04 -0.59 -0.18 0.14 -0.55 0.00 0.00 175.29 174.15 2iuu s VAL 654 N 0.52 2.32 0.40 1.34 -7.23 -0.93 -1.66 120.40 115.16 2iuu s VAL 654 Ca 0.66 -2.35 0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2iuu s VAL 654 Cb -0.46 -2.30 0.18 0.00 0.56 0.00 0.00 36.38 34.36 2iuu s VAL 654 CO 0.39 -0.41 1.95 0.28 -0.31 0.00 0.00 175.10 177.00 2iuu h SER 655 N 2.29 0.26 -5.16 4.85 0.02 -1.93 -3.38 113.55 110.49 2iuu h SER 655 Ca -0.40 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 2iuu h SER 655 Cb 1.25 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.64 2iuu h SER 655 CO 0.62 0.36 -0.03 -0.94 -1.14 0.00 0.00 176.83 175.69 2iuu s SER 656 N -6.86 -0.15 0.38 3.07 1.04 -1.26 -4.99 113.70 104.92 2iuu s SER 656 Ca -0.06 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.67 2iuu s SER 656 Cb 0.16 0.60 0.79 0.00 0.10 0.00 0.00 66.02 67.68 2iuu s SER 656 CO 0.73 -1.15 1.97 0.11 0.98 0.00 0.00 173.24 175.88 2iuu h LYS 657 N 2.21 0.67 0.47 4.02 1.57 -1.96 0.14 116.57 123.69 2iuu h LYS 657 Ca -0.26 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2iuu h LYS 657 Cb 1.25 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 2iuu h LYS 657 CO 0.34 0.44 -0.27 0.82 -0.57 0.00 0.00 179.45 180.21 2iuu h ILE 658 N 0.69 0.45 -0.46 1.86 5.03 -1.96 0.40 117.51 123.51 2iuu h ILE 658 Ca 0.29 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 65.11 2iuu h ILE 658 Cb 0.27 0.45 -0.06 0.00 -3.03 0.00 0.00 36.82 34.45 2iuu h ILE 658 CO -0.09 0.00 0.11 0.44 -0.68 0.00 0.00 178.15 177.93 2iuu h ASP 659 N -0.69 0.05 -0.51 1.72 3.45 -1.46 -0.94 116.42 118.03 2iuu h ASP 659 Ca -0.06 0.07 0.09 0.00 0.43 0.00 0.00 57.03 57.57 2iuu h ASP 659 Cb 0.56 0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.35 2iuu h ASP 659 CO 0.07 0.06 0.08 -1.28 -1.57 0.00 0.00 179.24 176.60 2iuu h SER 660 N 0.26 -0.06 -0.11 6.45 0.87 -0.44 -0.94 113.55 119.58 2iuu h SER 660 Ca 0.23 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 2iuu h SER 660 Cb 0.28 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2iuu h SER 660 CO -0.28 -0.00 -0.04 0.03 -0.53 0.00 0.00 176.83 176.01 2iuu h ARG 661 N 0.20 0.35 -0.94 2.24 3.08 0.26 0.25 114.38 119.82 2iuu h ARG 661 Ca 0.26 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.26 2iuu h ARG 661 Cb 0.36 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 2iuu h ARG 661 CO -0.36 0.41 0.62 1.15 -1.07 0.00 0.00 179.97 180.72 2iuu h THR 662 N 0.34 1.21 0.08 2.04 2.02 0.08 0.37 112.91 119.05 2iuu h THR 662 Ca 0.07 -0.42 -0.37 0.00 0.77 0.00 0.00 66.41 66.46 2iuu h THR 662 Cb 0.29 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 2iuu h THR 662 CO 0.01 0.22 -2.12 0.00 0.37 0.00 0.00 175.52 174.01 2iuu n ILE 663 N -4.46 1.69 0.78 3.11 0.00 -0.89 -4.55 119.36 115.04 2iuu n ILE 663 Ca 0.11 -0.65 0.09 0.00 0.00 0.00 0.00 62.75 62.30 2iuu n ILE 663 Cb 0.04 -1.58 -0.11 0.00 0.00 0.00 0.00 39.64 37.99 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 -3.38 0.78 -3.40 9.51 4.77 0.82 -4.88 117.00 121.22 2iuu n LEU 664 Ca -0.35 -0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 54.97 2iuu n LEU 664 Cb 1.04 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.20 2iuu n LEU 664 CO 0.39 0.19 0.20 0.47 -1.33 0.00 0.00 177.39 177.31 2iuu n ASP 665 N -1.50 -5.08 -3.65 -1.43 10.43 0.13 -4.94 116.55 110.51 2iuu n ASP 665 Ca 0.03 -0.53 -0.02 0.00 2.57 0.00 0.00 54.79 56.84 2iuu n ASP 665 Cb 0.31 -4.82 -0.05 0.00 1.84 0.00 0.00 41.12 38.39 2iuu n ASP 665 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 2iuu s GLN 666 N -6.00 0.03 0.68 -1.24 0.74 -1.25 -4.97 119.66 107.66 2iuu s GLN 666 Ca 0.41 0.02 -0.09 0.00 0.05 0.00 0.00 55.36 55.75 2iuu s GLN 666 Cb -0.18 0.01 0.03 0.00 1.10 0.00 0.00 33.01 33.97 2iuu s GLN 666 CO 0.69 -0.01 1.03 0.20 -0.55 0.00 0.00 175.29 176.66 2iuu s GLY 667 N -0.62 1.62 0.00 2.59 0.00 -1.26 -2.81 107.32 106.84 2iuu s GLY 667 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2iuu s GLY 667 CO -0.11 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.37 2iuu n GLY 668 N -2.90 4.04 0.09 0.20 0.00 -1.26 -4.95 105.19 100.40 2iuu n GLY 668 Ca 0.06 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.39 2iuu n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu n ALA 669 N 0.00 0.91 0.24 4.61 0.00 -1.26 0.15 120.51 125.16 2iuu n ALA 669 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2iuu n ALA 669 Cb 0.00 -1.03 0.17 0.00 0.00 0.00 0.00 19.45 18.59 2iuu n ALA 669 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2iuu h GLU 670 N 0.00 0.00 -0.00 0.00 9.09 -1.82 -2.45 114.58 119.39 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 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2iuu h GLU 670 CO 0.00 0.00 -0.15 1.04 0.05 0.00 0.00 179.01 179.95 2iuu n GLN 671 N -2.97 0.65 -1.53 1.06 1.13 0.12 -4.81 117.38 111.03 2iuu n GLN 671 Ca 0.04 -0.25 -0.33 0.00 -1.94 0.00 0.00 57.00 54.51 2iuu n GLN 671 Cb 0.52 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.53 3.30 0.00 1.08 1.43 -1.20 -4.82 118.68 115.94 2iuu s LEU 672 Ca 0.26 2.12 0.28 0.00 -1.03 0.00 0.00 54.13 55.77 2iuu s LEU 672 Cb 0.20 -4.56 1.12 0.00 0.03 0.00 0.00 46.19 42.98 2iuu s LEU 672 CO 0.50 -1.98 1.79 0.18 0.23 0.00 0.00 176.35 177.06 2iuu n LEU 673 N -2.73 1.36 0.00 1.79 4.77 -1.26 -4.86 117.00 116.06 2iuu n LEU 673 Ca 0.11 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2iuu n LEU 673 Cb 0.51 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2iuu n LEU 673 CO 0.48 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2iuu n GLY 674 N 1.16 -2.25 4.04 -0.72 0.00 -1.26 -4.92 105.19 101.25 2iuu n GLY 674 Ca 0.19 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.40 -1.60 -0.31 1.61 8.25 -1.05 -1.93 115.22 119.80 2iuu n HIS 675 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 2iuu n HIS 675 Cb 0.00 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -2.01 0.97 3.70 -1.41 0.00 0.87 -4.77 105.19 102.53 2iuu n GLY 676 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.98 6.89 0.17 1.61 3.68 -0.81 -0.05 116.67 125.18 2iuu s ASP 677 Ca 0.00 2.12 -0.01 0.00 2.13 0.00 0.00 52.55 56.79 2iuu s ASP 677 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 42.92 38.86 2iuu s ASP 677 CO 0.00 -0.66 0.10 0.00 0.13 0.00 0.00 175.17 174.74 2iuu s MET 678 N 1.95 1.09 -0.20 4.34 0.23 0.24 -3.70 119.30 123.26 2iuu s MET 678 Ca 0.63 -1.56 0.01 0.00 -1.03 0.00 0.00 55.69 53.74 2iuu s MET 678 Cb -0.32 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.26 2iuu s MET 678 CO 0.27 -0.33 -0.14 -0.51 -2.03 0.00 0.00 175.02 172.28 2iuu s LEU 679 N -3.12 2.34 -0.27 0.18 1.43 0.08 -0.86 118.68 118.46 2iuu s LEU 679 Ca 0.33 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2iuu s LEU 679 Cb 0.07 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2iuu s LEU 679 CO 0.08 -0.09 0.15 -0.47 0.23 0.00 0.00 176.35 176.25 2iuu s TYR 680 N 1.32 3.17 -0.54 0.29 5.04 0.43 -0.92 117.35 126.14 2iuu s TYR 680 Ca 0.00 -0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 2iuu s TYR 680 Cb -0.15 -2.33 0.14 0.00 0.35 0.00 0.00 41.96 39.97 2iuu s TYR 680 CO -0.10 -0.26 0.33 -1.17 -1.34 0.00 0.00 175.55 173.02 2iuu s LEU 681 N 1.70 5.04 0.96 6.97 2.96 0.16 -0.07 118.68 136.41 2iuu s LEU 681 Ca 0.07 -2.67 -0.12 0.00 -0.22 0.00 0.00 54.13 51.19 2iuu s LEU 681 Cb -0.16 -1.80 0.17 0.00 0.50 0.00 0.00 46.19 44.90 2iuu s LEU 681 CO 0.08 -0.38 1.10 -2.16 -1.32 0.00 0.00 176.35 173.67 2iuu s PRO 682 N 0.21 0.73 0.64 0.98 0.04 -1.26 -1.64 135.00 134.71 2iuu s PRO 682 Ca 0.15 0.56 -0.18 0.00 0.04 0.00 0.00 61.00 61.57 2iuu s PRO 682 Cb -0.22 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2iuu s PRO 682 CO -0.03 -2.53 1.29 -1.25 0.04 0.00 0.00 177.00 174.51 2iuu s PRO 683 N -5.00 2.58 0.19 0.56 0.04 -1.26 -4.85 135.00 127.25 2iuu s PRO 683 Ca 0.65 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2iuu s PRO 683 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2iuu s PRO 683 CO 0.57 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2iuu n GLY 684 N 0.86 -2.80 3.44 0.56 0.00 -1.26 -4.95 105.19 101.04 2iuu n GLY 684 Ca 0.16 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.60 1.47 0.00 2.61 2.01 -1.26 -4.96 115.64 114.91 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 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.27 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 0.37 3.29 3.77 4.40 0.00 -1.26 -5.03 105.19 110.73 2iuu n GLY 686 Ca 0.11 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 4.31 0.70 0.99 1.43 -1.26 -4.97 118.68 119.88 2iuu s LEU 687 Ca 0.00 2.19 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 2iuu s LEU 687 Cb 0.00 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2iuu s LEU 687 CO 0.00 -0.40 1.07 -0.81 0.23 0.00 0.00 176.35 176.44 2iuu n PRO 688 N 0.45 0.66 -3.51 1.29 -0.04 -1.26 -4.95 135.00 127.64 2iuu n PRO 688 Ca 0.02 0.28 -0.39 0.00 -0.04 0.00 0.00 63.50 63.38 2iuu n PRO 688 Cb 0.47 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 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 -1.71 5.26 0.06 0.52 -1.09 0.91 -4.85 121.20 120.29 2iuu s ILE 689 Ca 0.76 0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 59.09 2iuu s ILE 689 Cb -0.36 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 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 1.86 4.42 -0.03 2.79 3.52 -1.26 -0.43 118.95 129.82 2iuu s ARG 690 Ca 0.09 1.79 0.02 0.00 -0.13 0.00 0.00 55.73 57.51 2iuu s ARG 690 Cb -0.16 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2iuu s ARG 690 CO 0.11 -0.28 -0.08 0.08 -0.81 0.00 0.00 175.30 174.32 2iuu s VAL 691 N 1.14 0.72 -0.56 7.11 1.01 -0.04 -3.85 120.40 125.92 2iuu s VAL 691 Ca 0.59 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2iuu s VAL 691 Cb -0.30 -0.67 0.08 0.00 0.00 0.00 0.00 36.38 35.50 2iuu s VAL 691 CO 0.29 0.24 0.68 -1.00 0.00 0.00 0.00 175.10 175.31 2iuu s HIS 692 N 0.46 3.01 0.37 5.22 0.09 0.79 -0.59 115.29 124.64 2iuu s HIS 692 Ca -0.07 -0.78 -0.27 0.00 -0.00 0.00 0.00 55.06 53.94 2iuu s HIS 692 Cb -0.11 -3.83 -0.11 0.00 -0.00 0.00 0.00 32.58 28.53 2iuu s HIS 692 CO 0.01 -1.20 1.24 0.41 -0.00 0.00 0.00 174.74 175.20 2iuu n GLY 693 N 5.24 0.45 3.78 -2.22 0.00 0.92 -1.67 105.19 111.70 2iuu n GLY 693 Ca -0.08 0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 2.96 -0.11 4.61 0.00 -1.04 -4.74 121.76 122.29 2iuu s ALA 694 Ca 0.58 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 2iuu s ALA 694 Cb -0.56 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 2iuu s ALA 694 CO 0.60 -0.45 0.42 0.12 0.00 0.00 0.00 175.76 176.46 2iuu s PHE 695 N -1.70 3.54 -0.08 0.00 5.36 0.13 -4.79 117.98 120.44 2iuu s PHE 695 Ca 0.63 0.85 -0.00 0.00 -0.96 0.00 0.00 56.93 57.44 2iuu s PHE 695 Cb -0.23 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.01 2iuu s PHE 695 CO 0.28 0.27 -0.04 0.54 -1.46 0.00 0.00 175.22 174.81 2iuu s VAL 696 N 0.28 0.70 0.64 3.12 0.11 -1.26 -2.19 120.40 121.79 2iuu s VAL 696 Ca 0.23 -0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2iuu s VAL 696 Cb -0.15 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2iuu s VAL 696 CO 0.09 0.30 1.04 -0.94 -3.33 0.00 0.00 175.10 172.27 2iuu s SER 697 N 1.66 6.02 0.55 3.54 1.04 -1.26 -4.93 113.70 120.33 2iuu s SER 697 Ca 0.02 1.38 0.29 0.00 0.48 0.00 0.00 55.95 58.12 2iuu s SER 697 Cb -0.13 -2.37 1.58 0.00 0.10 0.00 0.00 66.02 65.20 2iuu s SER 697 CO -0.05 -1.00 2.13 0.44 0.98 0.00 0.00 173.24 175.73 2iuu h ASP 698 N -0.41 0.00 -0.01 7.02 3.45 -2.00 -1.76 116.42 122.70 2iuu h ASP 698 Ca -0.44 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 2iuu h ASP 698 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2iuu h ASP 698 CO 0.62 0.08 -0.05 0.44 -1.57 0.00 0.00 179.24 178.76 2iuu h ASP 699 N 0.00 0.07 -0.93 6.45 3.45 -1.98 0.14 116.42 123.63 2iuu h ASP 699 Ca -0.00 -0.64 0.09 0.00 0.43 0.00 0.00 57.03 56.91 2iuu h ASP 699 Cb 0.25 -0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 38.93 2iuu h ASP 699 CO 0.01 0.70 0.60 -0.33 -1.57 0.00 0.00 179.24 178.65 2iuu h GLU 700 N -0.55 0.95 0.18 3.56 5.08 -1.72 0.27 114.58 122.35 2iuu h GLU 700 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2iuu h GLU 700 Cb 0.69 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2iuu h GLU 700 CO 0.01 0.63 -0.09 0.28 -1.00 0.00 0.00 179.01 178.84 2iuu h VAL 701 N 0.98 0.86 -1.02 3.13 2.07 -1.30 -2.19 116.25 118.77 2iuu h VAL 701 Ca 0.42 -1.00 0.25 0.00 0.82 0.00 0.00 66.70 67.19 2iuu h VAL 701 Cb 0.34 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 2iuu h VAL 701 CO -0.18 0.20 0.65 -0.74 0.02 0.00 0.00 177.57 177.52 2iuu h HIS 702 N -0.80 0.76 -0.00 1.57 -0.00 -0.22 -0.55 115.15 115.91 2iuu h HIS 702 Ca -0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2iuu h HIS 702 Cb 0.52 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2iuu h HIS 702 CO 0.07 0.09 -0.00 -0.09 -0.00 0.00 0.00 177.93 178.00 2iuu h ARG 703 N 0.47 0.01 0.00 5.26 2.43 -0.42 -2.49 114.38 119.63 2iuu h ARG 703 Ca 0.59 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.71 2iuu h ARG 703 Cb 1.37 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2iuu h ARG 703 CO -0.33 0.36 -0.25 0.28 -1.51 0.00 0.00 179.97 178.52 2iuu h VAL 704 N -0.34 1.00 0.32 0.20 2.07 -0.59 -1.73 116.25 117.18 2iuu h VAL 704 Ca 0.00 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2iuu h VAL 704 Cb 0.36 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2iuu h VAL 704 CO 0.00 0.24 -0.15 0.58 0.02 0.00 0.00 177.57 178.26 2iuu h VAL 705 N 0.00 0.62 -0.98 2.57 2.07 -1.09 -2.60 116.25 116.84 2iuu h VAL 705 Ca -0.00 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 66.97 2iuu h VAL 705 Cb 0.49 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2iuu h VAL 705 CO 0.03 0.12 0.62 -0.33 0.02 0.00 0.00 177.57 178.03 2iuu h GLU 706 N -0.84 0.88 -0.94 1.57 4.39 -1.30 0.22 114.58 118.55 2iuu h GLU 706 Ca -0.04 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2iuu h GLU 706 Cb 0.52 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 2iuu h GLU 706 CO 0.07 0.58 0.62 0.00 -1.16 0.00 0.00 179.01 179.13 2iuu h ALA 707 N 1.56 1.35 0.13 3.43 0.00 -1.28 -1.82 119.26 122.63 2iuu h ALA 707 Ca 0.49 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 55.06 2iuu h ALA 707 Cb 0.58 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2iuu h ALA 707 CO -0.26 0.60 -1.24 -1.49 0.00 0.00 0.00 179.25 176.86 2iuu h TRP 708 N 1.25 0.70 0.00 0.00 4.06 -0.54 -3.05 115.95 118.38 2iuu h TRP 708 Ca 0.35 -0.48 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 2iuu h TRP 708 Cb -0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2iuu h TRP 708 CO -0.00 1.35 -0.02 0.87 -3.56 0.00 0.00 178.44 177.08 2iuu h LYS 709 N 0.15 0.00 0.01 0.49 1.57 -0.25 -1.28 116.57 117.25 2iuu h LYS 709 Ca -0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.38 2iuu h LYS 709 Cb 1.94 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.26 2iuu h LYS 709 CO 0.22 0.02 -0.93 -0.07 -0.57 0.00 0.00 179.45 178.11 2iuu h LEU 710 N 0.00 0.81 0.00 2.94 3.38 -1.34 -3.21 115.31 117.89 2iuu h LEU 710 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2iuu h LEU 710 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2iuu h LEU 710 CO 0.00 1.46 0.00 0.54 0.09 0.00 0.00 178.44 180.53 2iuu n ARG 711 N -3.95 0.37 0.00 1.13 1.74 -0.52 -4.86 116.66 110.57 2iuu n ARG 711 Ca -0.11 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2iuu n ARG 711 Cb 0.83 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.04 2.52 3.94 -0.13 0.00 -0.99 -5.08 105.19 105.40 2iuu n GLY 712 Ca 0.10 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 3.68 -0.15 4.61 0.00 -1.26 -4.34 121.76 122.30 2iuu s ALA 713 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2iuu s ALA 713 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 2iuu s ALA 713 CO 0.00 -0.01 1.80 -1.25 0.00 0.00 0.00 175.76 176.30 2iuu s PRO 714 N -4.27 3.79 -1.13 0.00 0.04 -1.24 -4.46 135.00 127.73 2iuu s PRO 714 Ca 0.41 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 63.36 2iuu s PRO 714 Cb -0.10 -4.12 0.27 0.00 0.04 0.00 0.00 34.50 30.59 2iuu s PRO 714 CO 0.36 -1.32 1.38 -3.47 0.04 0.00 0.00 177.00 174.00 2iuu n ASP 715 N 8.69 5.80 -4.79 6.66 4.64 -1.26 -5.03 116.55 131.26 2iuu n ASP 715 Ca 0.21 -3.19 -0.31 0.00 -1.38 0.00 0.00 54.79 50.12 2iuu n ASP 715 Cb 0.44 -1.37 0.07 0.00 -1.04 0.00 0.00 41.12 39.22 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 -1.37 2.86 -0.60 -0.67 4.12 -1.26 -4.75 117.35 115.68 2iuu s TYR 716 Ca 0.33 1.49 0.06 0.00 0.02 0.00 0.00 57.07 58.97 2iuu s TYR 716 Cb -0.01 -2.97 0.22 0.00 -1.52 0.00 0.00 41.96 37.68 2iuu s TYR 716 CO 0.01 -1.50 0.59 -0.89 0.02 0.00 0.00 175.55 173.78 2iuu n ILE 717 N -3.26 1.24 -0.03 2.71 -0.00 -0.32 -4.96 119.36 114.74 2iuu n ILE 717 Ca 0.08 -4.71 0.17 0.00 -0.00 0.00 0.00 62.75 58.29 2iuu n ILE 717 Cb 0.53 -2.05 0.26 0.00 -0.00 0.00 0.00 39.64 38.38 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 1.52 0.02 -0.24 0.38 2.13 -1.26 0.19 120.64 123.38 2iuu n GLU 718 Ca 0.25 0.90 0.01 0.00 0.66 0.00 0.00 57.16 58.99 2iuu n GLU 718 Cb 0.42 -2.30 0.14 0.00 0.27 0.00 0.00 31.44 29.97 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 0.42 -0.57 4.31 -0.00 -1.95 -3.19 116.42 115.45 2iuu h ASP 719 Ca 0.29 0.06 0.08 0.00 -0.00 0.00 0.00 57.03 57.47 2iuu h ASP 719 Cb 2.36 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 41.63 2iuu h ASP 719 CO -0.00 0.24 0.22 -0.29 -0.00 0.00 0.00 179.24 179.41 2iuu h ILE 720 N 0.57 0.82 0.00 2.25 2.10 -0.62 -2.72 117.51 119.91 2iuu h ILE 720 Ca 0.35 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 66.14 2iuu h ILE 720 Cb 0.38 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 2iuu h ILE 720 CO -0.28 0.08 0.00 0.18 -1.08 0.00 0.00 178.15 177.05 2iuu n LEU 721 N -4.98 0.00 0.00 2.19 4.77 -1.20 -3.78 117.00 114.00 2iuu n LEU 721 Ca 0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2iuu n LEU 721 Cb 0.23 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2iuu n LEU 721 CO 0.24 -0.01 0.24 0.00 -1.33 0.00 0.00 177.39 176.53