#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6a n ASP 330 N 0.00 0.00 0.10 0.00 -0.08 -1.26 -5.00 116.55 110.31 1f6a n ASP 330 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1f6a n ASP 330 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1f6a n ASP 330 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1f6a h SER 331 N 0.00 -0.27 -0.27 1.67 4.64 -2.08 -3.44 113.55 113.80 1f6a h SER 331 Ca 0.00 -0.25 -0.79 0.00 -0.47 0.00 0.00 61.79 60.28 1f6a h SER 331 Cb 0.00 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1f6a h SER 331 CO 0.00 0.22 1.20 -0.46 -0.87 0.00 0.00 176.83 176.92 1f6a n ASN 332 N -5.01 0.93 -4.81 4.97 0.23 -1.26 -4.88 115.26 105.44 1f6a n ASN 332 Ca -0.08 0.77 -0.33 0.00 -0.53 0.00 0.00 54.58 54.41 1f6a n ASN 332 Cb 0.26 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1f6a n ASN 332 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 1f6a s PRO 333 N 5.40 3.46 0.02 -0.53 0.02 -1.26 -4.25 135.00 137.86 1f6a s PRO 333 Ca 1.16 1.15 0.04 0.00 0.02 0.00 0.00 61.00 63.37 1f6a s PRO 333 Cb -1.46 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 1f6a s PRO 333 CO 0.68 -0.69 -0.05 0.50 -0.33 0.00 0.00 177.00 177.11 1f6a s ARG 334 N -4.07 2.55 0.53 5.54 3.52 -1.26 -5.04 118.95 120.72 1f6a s ARG 334 Ca 0.63 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 55.46 1f6a s ARG 334 Cb -0.15 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1f6a s ARG 334 CO 0.36 0.59 0.78 0.20 -0.81 0.00 0.00 175.30 176.41 1f6a s GLY 335 N -1.64 1.66 0.34 8.12 0.00 -1.26 -4.94 107.32 109.60 1f6a s GLY 335 Ca 0.19 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1f6a s GLY 335 CO 0.10 -0.80 1.51 -0.62 0.00 0.00 0.00 173.10 173.29 1f6a n VAL 336 N -2.33 1.61 -4.29 1.40 0.31 -1.26 -4.77 118.33 109.01 1f6a n VAL 336 Ca 0.04 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 1f6a n VAL 336 Cb 0.58 -1.93 -0.12 0.00 -0.91 0.00 0.00 33.84 31.46 1f6a n VAL 336 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1f6a s SER 337 N 0.10 2.37 0.04 4.52 0.01 -0.81 -5.00 113.70 114.92 1f6a s SER 337 Ca 0.58 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 57.20 1f6a s SER 337 Cb -0.50 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 1f6a s SER 337 CO 0.58 0.04 -0.08 0.00 0.41 0.00 0.00 173.24 174.19 1f6a s ALA 338 N -1.16 0.62 0.07 1.44 0.00 -1.26 -1.23 121.76 120.25 1f6a s ALA 338 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1f6a s ALA 338 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1f6a s ALA 338 CO 0.04 0.03 -0.05 0.71 0.00 0.00 0.00 175.76 176.49 1f6a s TYR 339 N -1.11 0.70 -0.25 0.00 1.51 -0.45 -4.99 117.35 112.76 1f6a s TYR 339 Ca -0.07 -0.98 -0.02 0.00 -1.01 0.00 0.00 57.07 54.99 1f6a s TYR 339 Cb -0.08 -0.45 0.11 0.00 -0.11 0.00 0.00 41.96 41.43 1f6a s TYR 339 CO 0.00 -0.26 0.26 -1.17 -1.11 0.00 0.00 175.55 173.28 1f6a s LEU 340 N -2.94 -0.18 0.43 -1.29 2.96 -1.26 -0.91 118.68 115.49 1f6a s LEU 340 Ca 0.09 -0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 53.34 1f6a s LEU 340 Cb 0.06 0.47 -0.10 0.00 0.50 0.00 0.00 46.19 47.13 1f6a s LEU 340 CO -0.07 -0.35 0.99 -0.55 -1.32 0.00 0.00 176.35 175.05 1f6a s SER 341 N 2.35 6.78 0.11 3.68 0.15 0.39 -4.91 113.70 122.25 1f6a s SER 341 Ca 0.09 1.85 -0.05 0.00 0.70 0.00 0.00 55.95 58.53 1f6a s SER 341 Cb -0.15 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 1f6a s SER 341 CO -0.22 -0.47 0.35 0.00 1.20 0.00 0.00 173.24 174.09 1f6a s ARG 342 N -2.92 3.60 0.23 5.44 1.70 -1.26 -3.06 118.95 122.68 1f6a s ARG 342 Ca 0.61 -0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.45 1f6a s ARG 342 Cb -0.15 -2.91 -0.14 0.00 -0.57 0.00 0.00 34.95 31.19 1f6a s ARG 342 CO 0.19 0.51 1.33 -2.30 -1.08 0.00 0.00 175.30 173.95 1f6a n PRO 343 N 0.28 1.79 -2.55 3.89 -0.02 -1.26 -4.95 135.00 132.17 1f6a n PRO 343 Ca -0.04 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1f6a n PRO 343 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1f6a n PRO 343 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f6a s SER 344 N 0.16 6.52 0.14 2.55 1.04 -1.26 -4.91 113.70 117.94 1f6a s SER 344 Ca 0.69 1.78 -0.29 0.00 0.48 0.00 0.00 55.95 58.61 1f6a s SER 344 Cb -0.70 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 62.84 1f6a s SER 344 CO 0.51 -0.66 1.57 -0.65 0.98 0.00 0.00 173.24 174.99 1f6a h PRO 345 N 1.44 -0.37 -0.02 4.02 0.11 -1.86 -1.39 132.00 133.92 1f6a h PRO 345 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1f6a h PRO 345 Cb 1.20 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1f6a h PRO 345 CO 0.60 -0.25 -0.03 0.35 -0.21 0.00 0.00 178.00 178.46 1f6a h PHE 346 N -0.39 -0.08 0.00 0.65 3.57 -1.89 0.28 116.94 119.09 1f6a h PHE 346 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1f6a h PHE 346 Cb 0.60 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1f6a h PHE 346 CO -0.61 -0.02 0.23 -0.25 -2.23 0.00 0.00 178.31 175.42 1f6a n ASP 347 N -2.84 0.06 -0.09 0.41 8.00 -1.04 -1.58 116.55 119.47 1f6a n ASP 347 Ca -0.00 0.34 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 1f6a n ASP 347 Cb 0.02 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.65 1f6a n ASP 347 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1f6a n LEU 348 N -1.43 0.10 -0.05 0.64 7.94 0.77 -2.10 117.00 122.87 1f6a n LEU 348 Ca -0.00 -0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.81 1f6a n LEU 348 Cb 0.23 0.40 -0.04 0.00 0.53 0.00 0.00 43.42 44.54 1f6a n LEU 348 CO 0.01 0.45 -0.82 0.49 -1.11 0.00 0.00 177.39 176.41 1f6a n PHE 349 N -2.67 0.00 0.00 1.96 0.99 0.12 -4.25 117.46 113.60 1f6a n PHE 349 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 1f6a n PHE 349 Cb 1.07 -0.36 0.00 0.00 -1.00 0.00 0.00 39.48 39.19 1f6a n PHE 349 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1f6a n ILE 350 N -3.03 0.00 0.26 4.37 2.08 -0.70 -4.00 119.36 118.35 1f6a n ILE 350 Ca -0.18 0.21 0.06 0.00 0.56 0.00 0.00 62.75 63.40 1f6a n ILE 350 Cb 0.66 -0.50 0.32 0.00 -0.75 0.00 0.00 39.64 39.37 1f6a n ILE 350 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1f6a h ARG 351 N 0.00 0.00 -2.94 0.38 2.43 -1.79 -3.44 114.38 109.02 1f6a h ARG 351 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1f6a h ARG 351 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1f6a h ARG 351 CO 0.00 0.00 -0.11 1.63 -1.51 0.00 0.00 179.97 179.98 1f6a n LYS 352 N -2.37 -1.79 -3.52 0.20 5.02 -1.24 -4.85 118.16 109.60 1f6a n LYS 352 Ca -0.01 0.29 -0.28 0.00 -2.02 0.00 0.00 58.31 56.29 1f6a n LYS 352 Cb 0.62 -4.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.94 1f6a n LYS 352 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f6a s SER 353 N -1.69 2.62 0.37 4.39 1.04 -0.99 -4.85 113.70 114.59 1f6a s SER 353 Ca 0.00 -2.81 -0.21 0.00 0.48 0.00 0.00 55.95 53.42 1f6a s SER 353 Cb 0.00 -0.65 -0.10 0.00 0.10 0.00 0.00 66.02 65.37 1f6a s SER 353 CO 0.00 -0.22 0.89 -2.84 0.98 0.00 0.00 173.24 172.05 1f6a s PRO 354 N 0.26 4.25 -0.15 4.02 0.02 -0.89 -4.76 135.00 137.76 1f6a s PRO 354 Ca 0.25 1.05 -0.10 0.00 0.02 0.00 0.00 61.00 62.21 1f6a s PRO 354 Cb -0.10 -2.41 0.05 0.00 0.02 0.00 0.00 34.50 32.06 1f6a s PRO 354 CO -0.10 0.10 0.37 0.95 -0.33 0.00 0.00 177.00 177.99 1f6a s THR 355 N -1.98 -0.02 0.10 0.99 -4.23 -1.26 -1.42 115.64 107.83 1f6a s THR 355 Ca 0.57 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1f6a s THR 355 Cb -0.12 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1f6a s THR 355 CO 0.17 0.02 0.25 0.27 -0.54 0.00 0.00 174.62 174.80 1f6a s ILE 356 N 0.84 5.34 -0.05 2.99 -4.36 -0.90 -4.35 121.20 120.72 1f6a s ILE 356 Ca -0.05 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.90 1f6a s ILE 356 Cb -0.06 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 39.99 1f6a s ILE 356 CO -0.06 0.04 -0.11 -0.89 0.24 0.00 0.00 174.94 174.16 1f6a s THR 357 N -1.62 1.01 -0.25 8.37 2.01 -1.17 -0.91 115.64 123.07 1f6a s THR 357 Ca 0.35 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 1f6a s THR 357 Cb -0.12 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1f6a s THR 357 CO 0.28 0.32 0.11 0.00 -0.69 0.00 0.00 174.62 174.64 1f6a s LEU 359 N 1.57 2.30 -0.15 0.00 2.96 -0.08 -1.43 118.68 123.84 1f6a s LEU 359 Ca 0.06 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1f6a s LEU 359 Cb -0.15 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1f6a s LEU 359 CO 0.06 -0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.43 1f6a s VAL 360 N 1.30 4.68 0.25 1.68 1.01 0.57 -1.34 120.40 128.55 1f6a s VAL 360 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1f6a s VAL 360 Cb -0.14 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1f6a s VAL 360 CO -0.11 0.52 -0.02 0.68 0.00 0.00 0.00 175.10 176.17 1f6a s VAL 361 N -0.14 1.26 -1.50 2.92 -7.23 -0.36 -1.78 120.40 113.57 1f6a s VAL 361 Ca 0.07 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1f6a s VAL 361 Cb -0.12 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1f6a s VAL 361 CO 0.01 -0.29 0.00 0.47 -0.31 0.00 0.00 175.10 174.98 1f6a n ASP 362 N -0.49 -4.70 -4.82 4.85 8.00 -1.26 -1.93 116.55 116.20 1f6a n ASP 362 Ca -0.05 0.32 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 1f6a n ASP 362 Cb 0.64 -3.51 0.05 0.00 -0.02 0.00 0.00 41.12 38.28 1f6a n ASP 362 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f6a s LEU 363 N -3.37 3.14 0.01 0.64 1.43 -1.00 -4.07 118.68 115.45 1f6a s LEU 363 Ca 0.00 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1f6a s LEU 363 Cb 0.00 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 1f6a s LEU 363 CO 0.00 -1.48 -0.03 0.00 0.23 0.00 0.00 176.35 175.07 1f6a s ALA 364 N -3.02 0.20 -0.55 4.21 0.00 -1.26 -1.67 121.76 119.67 1f6a s ALA 364 Ca 0.58 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 1f6a s ALA 364 Cb -0.14 -0.00 -0.13 0.00 0.00 0.00 0.00 23.12 22.84 1f6a s ALA 364 CO 0.54 -0.00 1.60 -2.30 0.00 0.00 0.00 175.76 175.60 1f6a n PRO 365 N 2.62 0.00 -4.28 0.00 -0.02 -1.26 -4.91 135.00 127.16 1f6a n PRO 365 Ca -0.15 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.09 1f6a n PRO 365 Cb 0.58 -0.93 -0.07 0.00 -0.02 0.00 0.00 33.50 33.05 1f6a n PRO 365 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f6a s SER 366 N 5.17 4.60 0.01 2.55 1.04 -1.26 -5.02 113.70 120.80 1f6a s SER 366 Ca 0.82 -0.59 0.25 0.00 0.48 0.00 0.00 55.95 56.91 1f6a s SER 366 Cb -0.82 -0.89 0.43 0.00 0.10 0.00 0.00 66.02 64.84 1f6a s SER 366 CO 0.33 0.01 1.36 0.29 0.98 0.00 0.00 173.24 176.21 1f6a n LYS 367 N -0.78 0.05 -3.53 4.02 4.76 -1.26 -4.90 118.16 116.51 1f6a n LYS 367 Ca -0.07 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1f6a n LYS 367 Cb 0.58 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 1f6a n LYS 367 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1f6a s GLY 368 N -3.10 1.85 0.24 0.72 0.00 -1.26 -5.12 107.32 100.65 1f6a s GLY 368 Ca 0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1f6a s GLY 368 CO 0.72 -1.54 0.15 2.41 0.00 0.00 0.00 173.10 174.83 1f6a n THR 369 N -1.56 0.00 -2.61 0.90 -1.04 -1.26 -4.98 114.28 103.72 1f6a n THR 369 Ca 0.02 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1f6a n THR 369 Cb 0.60 -0.27 0.05 0.00 -1.82 0.00 0.00 70.33 68.89 1f6a n THR 369 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1f6a n VAL 370 N -3.41 0.49 0.00 12.58 0.31 -1.26 -4.60 118.33 122.45 1f6a n VAL 370 Ca 0.02 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.75 1f6a n VAL 370 Cb 0.10 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 1f6a n VAL 370 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1f6a n ASN 371 N -0.60 0.00 -4.25 4.52 4.13 -1.23 -4.24 115.26 113.59 1f6a n ASN 371 Ca -0.05 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.90 1f6a n ASN 371 Cb 0.87 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.95 1f6a n ASN 371 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1f6a s LEU 372 N 0.00 2.06 -0.06 3.41 1.98 -1.26 -1.45 118.68 123.36 1f6a s LEU 372 Ca 0.00 -0.51 -0.02 0.00 -2.89 0.00 0.00 54.13 50.71 1f6a s LEU 372 Cb 0.00 -1.34 0.04 0.00 0.66 0.00 0.00 46.19 45.55 1f6a s LEU 372 CO 0.00 0.22 0.12 -0.89 -1.89 0.00 0.00 176.35 173.91 1f6a s THR 373 N -0.07 -0.15 0.05 3.68 2.01 -0.46 -4.99 115.64 115.72 1f6a s THR 373 Ca -0.06 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1f6a s THR 373 Cb -0.14 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 1f6a s THR 373 CO 0.04 0.13 0.37 0.26 -0.69 0.00 0.00 174.62 174.73 1f6a s TRP 374 N 1.79 3.61 -0.01 4.92 0.52 -1.26 -1.57 118.94 126.93 1f6a s TRP 374 Ca -0.02 0.79 -0.24 0.00 0.02 0.00 0.00 56.10 56.65 1f6a s TRP 374 Cb -0.12 -2.15 0.05 0.00 -1.15 0.00 0.00 33.47 30.10 1f6a s TRP 374 CO -0.05 0.56 0.53 -1.54 0.02 0.00 0.00 176.95 176.47 1f6a s SER 375 N -1.59 -0.46 0.10 2.95 1.04 -0.90 -4.94 113.70 109.90 1f6a s SER 375 Ca 0.30 0.38 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1f6a s SER 375 Cb -0.14 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1f6a s SER 375 CO 0.16 -0.60 0.11 -0.13 0.98 0.00 0.00 173.24 173.77 1f6a s ARG 376 N -1.60 2.94 0.27 4.02 0.52 -1.26 -1.08 118.95 122.76 1f6a s ARG 376 Ca -0.10 -0.71 0.12 0.00 -0.52 0.00 0.00 55.73 54.52 1f6a s ARG 376 Cb -0.02 -2.74 0.31 0.00 0.52 0.00 0.00 34.95 33.02 1f6a s ARG 376 CO 0.05 0.55 1.57 0.00 0.02 0.00 0.00 175.30 177.48 1f6a h ALA 377 N 3.04 0.84 0.00 2.13 0.00 -1.42 -2.91 119.26 120.94 1f6a h ALA 377 Ca -0.47 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 1f6a h ALA 377 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1f6a h ALA 377 CO 0.66 0.77 -0.05 0.66 0.00 0.00 0.00 179.25 181.29 1f6a h SER 378 N 0.00 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 112.77 1f6a h SER 378 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1f6a h SER 378 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1f6a h SER 378 CO 0.08 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1f6a n GLY 379 N -0.08 2.46 3.75 -0.77 0.00 -1.10 -5.04 105.19 104.41 1f6a n GLY 379 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1f6a n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6a s LYS 380 N -0.81 4.30 1.02 1.61 1.02 -1.26 -4.93 119.74 120.69 1f6a s LYS 380 Ca 0.00 2.26 -0.19 0.00 0.02 0.00 0.00 55.97 58.06 1f6a s LYS 380 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1f6a s LYS 380 CO 0.00 -0.35 -0.46 -2.30 -0.92 0.00 0.00 175.35 171.33 1f6a n PRO 381 N 1.95 -0.55 -4.24 -1.68 -0.02 -1.26 -4.45 135.00 124.75 1f6a n PRO 381 Ca 0.05 -0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.18 1f6a n PRO 381 Cb 0.41 -1.41 -0.12 0.00 -0.02 0.00 0.00 33.50 32.35 1f6a n PRO 381 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1f6a s VAL 382 N -2.17 1.31 1.14 -1.45 -7.23 -1.26 -4.94 120.40 105.81 1f6a s VAL 382 Ca 0.48 -1.35 -0.13 0.00 -1.81 0.00 0.00 61.98 59.17 1f6a s VAL 382 Cb -0.10 -1.23 0.27 0.00 0.56 0.00 0.00 36.38 35.89 1f6a s VAL 382 CO 0.70 -0.14 1.04 0.20 -0.31 0.00 0.00 175.10 176.59 1f6a s ASN 383 N -1.72 1.21 0.33 4.85 0.02 -1.26 -4.96 114.94 113.40 1f6a s ASN 383 Ca 0.01 1.43 -0.27 0.00 -1.02 0.00 0.00 52.86 53.01 1f6a s ASN 383 Cb -0.10 -2.20 -0.09 0.00 0.02 0.00 0.00 41.25 38.88 1f6a s ASN 383 CO 0.03 -4.05 1.05 -1.00 0.02 0.00 0.00 177.10 173.15 1f6a s HIS 384 N -2.56 3.51 0.49 2.20 3.76 -1.26 -4.91 115.29 116.52 1f6a s HIS 384 Ca 0.68 1.71 0.08 0.00 -0.15 0.00 0.00 55.06 57.38 1f6a s HIS 384 Cb -0.24 -3.16 0.03 0.00 1.11 0.00 0.00 32.58 30.33 1f6a s HIS 384 CO 0.63 -0.41 0.59 -1.54 -0.85 0.00 0.00 174.74 173.17 1f6a s SER 385 N -1.24 5.22 0.36 1.40 1.04 -1.26 -4.55 113.70 114.67 1f6a s SER 385 Ca 0.50 -0.74 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1f6a s SER 385 Cb -0.26 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1f6a s SER 385 CO 0.33 -0.99 0.37 -0.89 0.98 0.00 0.00 173.24 173.04 1f6a s THR 386 N -2.54 3.33 -0.29 2.02 2.01 -0.67 -4.98 115.64 114.52 1f6a s THR 386 Ca 0.54 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1f6a s THR 386 Cb -0.06 -3.15 0.13 0.00 0.01 0.00 0.00 72.50 69.42 1f6a s THR 386 CO 0.33 -0.11 0.87 -0.60 -0.69 0.00 0.00 174.62 174.42 1f6a s ARG 387 N -4.09 0.48 0.00 4.92 3.52 -1.26 -3.72 118.95 118.81 1f6a s ARG 387 Ca 0.45 0.87 0.03 0.00 -0.13 0.00 0.00 55.73 56.95 1f6a s ARG 387 Cb -0.06 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1f6a s ARG 387 CO 0.28 -0.11 -0.09 0.15 -0.81 0.00 0.00 175.30 174.72 1f6a s LYS 388 N 1.59 0.71 -0.34 5.12 1.02 -0.56 -4.99 119.74 122.28 1f6a s LYS 388 Ca -0.09 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1f6a s LYS 388 Cb -0.05 -0.67 0.10 0.00 -0.52 0.00 0.00 37.83 36.69 1f6a s LYS 388 CO -0.17 0.18 0.09 -1.21 -0.92 0.00 0.00 175.35 173.32 1f6a s GLU 389 N -0.44 1.16 -0.42 1.68 2.02 -1.26 -1.55 118.70 119.90 1f6a s GLU 389 Ca 0.02 -1.58 -0.17 0.00 0.02 0.00 0.00 54.97 53.27 1f6a s GLU 389 Cb -0.04 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1f6a s GLU 389 CO -0.00 -0.98 0.40 -1.21 0.02 0.00 0.00 175.26 173.49 1f6a s GLU 390 N 1.12 3.06 0.06 1.61 2.02 -0.86 -4.92 118.70 120.79 1f6a s GLU 390 Ca 0.11 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 1f6a s GLU 390 Cb -0.19 -3.97 -0.09 0.00 0.10 0.00 0.00 34.13 29.98 1f6a s GLU 390 CO -0.15 -0.83 1.81 0.21 0.02 0.00 0.00 175.26 176.32 1f6a s LYS 391 N 2.02 4.16 0.64 1.61 2.20 -1.26 -2.46 119.74 126.64 1f6a s LYS 391 Ca 0.10 2.48 -0.04 0.00 -0.36 0.00 0.00 55.97 58.15 1f6a s LYS 391 Cb -0.18 -3.84 0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1f6a s LYS 391 CO 0.13 -0.85 0.92 -0.65 -0.36 0.00 0.00 175.35 174.53 1f6a s GLN 392 N 3.46 2.41 0.19 4.03 -1.52 -1.19 -4.96 119.66 122.08 1f6a s GLN 392 Ca 0.81 -0.39 -0.10 0.00 -1.95 0.00 0.00 55.36 53.73 1f6a s GLN 392 Cb -0.42 -2.29 0.10 0.00 -0.22 0.00 0.00 33.01 30.18 1f6a s GLN 392 CO 0.36 -0.99 1.71 -0.09 -0.25 0.00 0.00 175.29 176.03 1f6a h ARG 393 N -0.32 1.04 -1.35 2.91 9.65 -1.92 -3.17 114.38 121.21 1f6a h ARG 393 Ca -0.44 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.21 1f6a h ARG 393 Cb 1.30 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1f6a h ARG 393 CO 0.58 0.92 0.00 0.27 2.80 0.00 0.00 179.97 184.54 1f6a n ASN 394 N -4.32 2.42 0.00 -3.80 0.23 -1.26 -4.77 115.26 103.76 1f6a n ASN 394 Ca 0.04 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1f6a n ASN 394 Cb 0.23 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 1f6a n ASN 394 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f6a n GLY 395 N 0.75 2.22 0.00 4.83 0.00 -1.20 -4.97 105.19 106.82 1f6a n GLY 395 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f6a n GLY 395 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1f6a n THR 396 N -1.80 0.00 -3.65 2.61 5.66 -1.26 -4.83 114.28 111.01 1f6a n THR 396 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1f6a n THR 396 Cb 0.00 -1.15 -0.06 0.00 -1.55 0.00 0.00 70.33 67.57 1f6a n THR 396 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1f6a s LEU 397 N 0.00 -0.98 0.20 1.09 2.96 -0.67 -3.14 118.68 118.14 1f6a s LEU 397 Ca 0.00 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.46 1f6a s LEU 397 Cb 0.00 2.26 -0.04 0.00 0.50 0.00 0.00 46.19 48.91 1f6a s LEU 397 CO 0.00 -0.23 0.12 -0.89 -1.32 0.00 0.00 176.35 174.04 1f6a s THR 398 N 2.20 4.30 -0.04 3.68 2.01 -1.03 -2.38 115.64 124.38 1f6a s THR 398 Ca -0.08 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 60.63 1f6a s THR 398 Cb -0.08 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1f6a s THR 398 CO -0.19 -0.19 0.07 -0.69 -0.69 0.00 0.00 174.62 172.93 1f6a s VAL 399 N -1.89 -0.10 0.10 3.82 1.01 -0.73 -2.02 120.40 120.58 1f6a s VAL 399 Ca 0.31 0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.71 1f6a s VAL 399 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1f6a s VAL 399 CO 0.23 0.14 -0.23 0.42 0.00 0.00 0.00 175.10 175.66 1f6a s THR 400 N 1.74 1.87 -0.12 3.92 -4.23 -0.59 -0.32 115.64 117.91 1f6a s THR 400 Ca -0.01 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1f6a s THR 400 Cb -0.12 -1.67 0.06 0.00 1.34 0.00 0.00 72.50 72.10 1f6a s THR 400 CO -0.04 0.05 0.24 -0.55 -0.54 0.00 0.00 174.62 173.79 1f6a s SER 401 N -1.79 0.32 -0.03 3.99 0.15 -0.52 -1.50 113.70 114.31 1f6a s SER 401 Ca 0.09 0.55 -0.00 0.00 0.70 0.00 0.00 55.95 57.28 1f6a s SER 401 Cb -0.10 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1f6a s SER 401 CO 0.04 -0.23 0.04 -0.89 1.20 0.00 0.00 173.24 173.40 1f6a s THR 402 N 2.22 4.46 -0.05 6.45 2.01 -1.24 -0.92 115.64 128.57 1f6a s THR 402 Ca -0.00 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1f6a s THR 402 Cb -0.12 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1f6a s THR 402 CO -0.08 0.44 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.97 1f6a s LEU 403 N -1.42 1.59 0.27 4.42 2.96 -0.09 -1.67 118.68 124.75 1f6a s LEU 403 Ca 0.19 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 1f6a s LEU 403 Cb -0.12 -0.69 -0.10 0.00 0.50 0.00 0.00 46.19 45.79 1f6a s LEU 403 CO 0.09 0.02 1.27 -2.84 -1.32 0.00 0.00 176.35 173.57 1f6a s PRO 404 N 0.64 4.43 -0.03 0.98 0.02 -1.26 -2.11 135.00 137.67 1f6a s PRO 404 Ca -0.12 2.07 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1f6a s PRO 404 Cb -0.14 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.25 1f6a s PRO 404 CO 0.02 -0.13 -0.05 0.08 -0.33 0.00 0.00 177.00 176.59 1f6a s VAL 405 N -0.68 0.49 -0.20 3.83 1.01 -0.51 -4.64 120.40 119.70 1f6a s VAL 405 Ca 0.51 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 1f6a s VAL 405 Cb -0.37 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1f6a s VAL 405 CO 0.45 0.18 2.19 -0.83 0.00 0.00 0.00 175.10 177.10 1f6a s GLY 406 N 0.49 0.58 0.37 4.51 0.00 -1.26 -4.22 107.32 107.79 1f6a s GLY 406 Ca -0.06 0.80 0.19 0.00 0.00 0.00 0.00 44.72 45.65 1f6a s GLY 406 CO -0.00 3.77 1.66 -0.84 0.00 0.00 0.00 173.10 177.69 1f6a h THR 407 N 7.03 0.27 0.09 0.90 2.02 -1.92 -2.32 112.91 118.99 1f6a h THR 407 Ca -0.41 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1f6a h THR 407 Cb 1.24 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1f6a h THR 407 CO 0.96 0.05 -0.04 0.03 0.37 0.00 0.00 175.52 176.89 1f6a h ARG 408 N 0.26 -0.12 -0.70 6.66 -0.00 -1.97 -3.24 114.38 115.27 1f6a h ARG 408 Ca 0.74 0.01 0.18 0.00 -0.50 0.00 0.00 59.98 60.41 1f6a h ARG 408 Cb 1.88 0.03 -0.13 0.00 0.00 0.00 0.00 29.97 31.75 1f6a h ARG 408 CO -0.53 -0.08 -0.05 -0.25 0.00 0.00 0.00 179.97 179.06 1f6a n ASP 409 N -2.54 -0.14 0.37 7.04 8.00 -0.91 -0.86 116.55 127.51 1f6a n ASP 409 Ca -0.02 1.20 -0.18 0.00 0.71 0.00 0.00 54.79 56.50 1f6a n ASP 409 Cb 0.05 -0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 1f6a n ASP 409 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1f6a h TRP 410 N 0.00 -1.07 -0.32 1.24 2.91 -1.56 -2.41 115.95 114.74 1f6a h TRP 410 Ca 0.40 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.49 1f6a h TRP 410 Cb 0.76 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 1f6a h TRP 410 CO -0.42 -0.61 0.23 0.82 -1.03 0.00 0.00 178.44 177.43 1f6a h ILE 411 N -1.01 0.85 -0.12 2.65 2.04 -1.03 -0.48 117.51 120.41 1f6a h ILE 411 Ca -0.09 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1f6a h ILE 411 Cb 0.81 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1f6a h ILE 411 CO 0.09 0.00 0.08 -0.62 0.00 0.00 0.00 178.15 177.70 1f6a n GLU 412 N -4.45 1.15 -0.93 2.37 1.02 -0.86 -4.84 120.64 114.10 1f6a n GLU 412 Ca 0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1f6a n GLU 412 Cb 0.38 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1f6a n GLU 412 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f6a n GLY 413 N 0.37 0.34 3.27 0.62 0.00 -0.19 -5.01 105.19 104.60 1f6a n GLY 413 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1f6a n GLY 413 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f6a n GLU 414 N -1.37 -0.95 -3.70 1.61 4.07 -0.94 -4.75 120.64 114.61 1f6a n GLU 414 Ca 0.00 -0.26 -0.18 0.00 -0.06 0.00 0.00 57.16 56.66 1f6a n GLU 414 Cb 0.17 -1.63 -0.17 0.00 -0.06 0.00 0.00 31.44 29.75 1f6a n GLU 414 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1f6a s THR 415 N -2.24 -0.10 0.04 6.31 -1.32 -1.26 -4.32 115.64 112.75 1f6a s THR 415 Ca 0.53 0.36 0.03 0.00 -1.21 0.00 0.00 61.69 61.39 1f6a s THR 415 Cb -0.13 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.69 1f6a s THR 415 CO 0.68 0.15 0.02 -0.31 -2.21 0.00 0.00 174.62 172.94 1f6a s TYR 416 N 1.81 3.08 -0.01 9.09 1.51 -0.99 -0.98 117.35 130.85 1f6a s TYR 416 Ca 0.00 0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1f6a s TYR 416 Cb -0.12 -1.62 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1f6a s TYR 416 CO -0.03 0.48 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.69 1f6a s GLN 417 N -1.94 0.48 -0.21 -0.62 0.74 -0.24 -1.63 119.66 116.23 1f6a s GLN 417 Ca 0.23 -0.21 -0.05 0.00 0.05 0.00 0.00 55.36 55.39 1f6a s GLN 417 Cb -0.12 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.50 1f6a s GLN 417 CO 0.15 0.12 0.00 0.00 -0.55 0.00 0.00 175.29 175.01 1f6a s ARG 419 N 1.16 2.14 0.06 0.00 3.52 -0.61 -2.26 118.95 122.96 1f6a s ARG 419 Ca 0.03 -1.43 0.02 0.00 -0.13 0.00 0.00 55.73 54.21 1f6a s ARG 419 Cb -0.14 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1f6a s ARG 419 CO 0.01 -0.64 0.11 0.14 -0.81 0.00 0.00 175.30 174.12 1f6a s VAL 420 N 1.09 4.79 -0.01 7.11 -7.23 0.58 -1.35 120.40 125.39 1f6a s VAL 420 Ca -0.05 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1f6a s VAL 420 Cb -0.20 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.45 1f6a s VAL 420 CO -0.05 0.17 0.00 0.42 -0.31 0.00 0.00 175.10 175.34 1f6a s THR 421 N -1.38 0.02 -0.10 5.32 -4.23 -0.53 -1.54 115.64 113.20 1f6a s THR 421 Ca 0.29 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1f6a s THR 421 Cb -0.12 -0.05 0.01 0.00 1.34 0.00 0.00 72.50 73.68 1f6a s THR 421 CO 0.22 0.03 -0.16 -2.28 -0.54 0.00 0.00 174.62 171.89 1f6a s HIS 422 N 0.24 2.01 0.25 3.99 2.46 -1.26 -3.54 115.29 119.43 1f6a s HIS 422 Ca -0.02 -0.91 -0.11 0.00 0.47 0.00 0.00 55.06 54.49 1f6a s HIS 422 Cb -0.03 -1.43 0.35 0.00 -0.13 0.00 0.00 32.58 31.34 1f6a s HIS 422 CO -0.01 -0.45 1.47 -2.30 -2.47 0.00 0.00 174.74 170.98 1f6a n PRO 423 N 4.07 -0.14 0.00 2.88 -0.02 -1.26 -0.88 135.00 139.65 1f6a n PRO 423 Ca -0.20 1.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.75 1f6a n PRO 423 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1f6a n PRO 423 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1f6a n HIS 424 N -5.48 0.00 -4.50 6.00 8.25 -1.26 -4.84 115.22 113.39 1f6a n HIS 424 Ca 0.13 -0.42 -0.24 0.00 -0.26 0.00 0.00 57.72 56.93 1f6a n HIS 424 Cb 0.43 -0.22 -0.14 0.00 1.12 0.00 0.00 29.99 31.18 1f6a n HIS 424 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f6a s LEU 425 N 0.00 2.20 0.00 2.41 1.43 -0.05 -5.10 118.68 119.57 1f6a s LEU 425 Ca 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1f6a s LEU 425 Cb 0.00 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1f6a s LEU 425 CO 0.00 0.11 0.05 -2.65 0.23 0.00 0.00 176.35 174.09 1f6a n PRO 426 N 1.70 0.00 -2.53 1.29 -0.02 -1.26 -4.84 135.00 129.34 1f6a n PRO 426 Ca -0.18 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.03 1f6a n PRO 426 Cb 0.54 -0.51 0.01 0.00 -0.02 0.00 0.00 33.50 33.52 1f6a n PRO 426 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1f6a s ARG 427 N -0.10 3.24 0.60 -0.52 3.52 -1.26 -5.06 118.95 119.36 1f6a s ARG 427 Ca 0.00 0.08 -0.12 0.00 -0.13 0.00 0.00 55.73 55.56 1f6a s ARG 427 Cb 0.00 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 31.01 1f6a s ARG 427 CO 0.00 -0.44 1.01 0.00 -0.81 0.00 0.00 175.30 175.06 1f6a s ALA 428 N -2.85 3.11 -0.19 6.12 0.00 -1.26 -4.94 121.76 121.74 1f6a s ALA 428 Ca 0.50 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 1f6a s ALA 428 Cb -0.10 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1f6a s ALA 428 CO 0.45 -0.60 0.26 -1.17 0.00 0.00 0.00 175.76 174.70 1f6a s LEU 429 N -4.97 4.20 0.05 0.00 0.20 -0.59 -4.99 118.68 112.59 1f6a s LEU 429 Ca 0.55 0.39 0.02 0.00 0.69 0.00 0.00 54.13 55.78 1f6a s LEU 429 Cb -0.11 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.32 1f6a s LEU 429 CO 0.50 0.07 -0.06 -0.04 -0.29 0.00 0.00 176.35 176.52 1f6a s MET 430 N 0.72 0.58 -0.12 1.98 -1.94 -1.26 -0.30 119.30 118.96 1f6a s MET 430 Ca 0.14 -0.91 -0.27 0.00 -1.71 0.00 0.00 55.69 52.93 1f6a s MET 430 Cb -0.13 -0.18 0.07 0.00 2.01 0.00 0.00 34.83 36.60 1f6a s MET 430 CO 0.04 0.01 0.65 1.03 -0.01 0.00 0.00 175.02 176.74 1f6a s ARG 431 N -2.30 0.94 0.22 2.03 0.52 -0.96 -5.01 118.95 114.40 1f6a s ARG 431 Ca -0.04 0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.62 1f6a s ARG 431 Cb -0.05 0.45 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 1f6a s ARG 431 CO -0.02 -0.24 0.19 -1.54 0.02 0.00 0.00 175.30 173.71 1f6a s SER 432 N -0.67 0.34 -0.16 0.23 1.04 -1.26 -0.71 113.70 112.50 1f6a s SER 432 Ca -0.07 -1.40 -0.30 0.00 0.48 0.00 0.00 55.95 54.66 1f6a s SER 432 Cb -0.02 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.65 1f6a s SER 432 CO 0.07 -0.91 0.97 0.28 0.98 0.00 0.00 173.24 174.63 1f6a s THR 433 N -4.03 0.00 0.28 2.02 -1.32 -0.65 -4.99 115.64 106.95 1f6a s THR 433 Ca 0.38 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.73 1f6a s THR 433 Cb 0.06 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1f6a s THR 433 CO 0.14 0.00 0.55 0.42 -2.21 0.00 0.00 174.62 173.52 1f6a s THR 434 N -1.03 0.00 0.07 5.08 -4.23 -1.26 -2.36 115.64 111.91 1f6a s THR 434 Ca -0.02 -1.33 -0.37 0.00 -1.18 0.00 0.00 61.69 58.78 1f6a s THR 434 Cb -0.01 -2.30 -0.18 0.00 1.34 0.00 0.00 72.50 71.35 1f6a s THR 434 CO 0.02 0.00 1.26 1.17 -0.54 0.00 0.00 174.62 176.53 1f6a n LYS 435 N -0.43 0.84 -1.97 3.99 4.81 -1.26 -4.90 118.16 119.24 1f6a n LYS 435 Ca -0.02 0.30 -0.39 0.00 -0.87 0.00 0.00 58.31 57.33 1f6a n LYS 435 Cb 0.61 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1f6a n LYS 435 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1f6a s THR 436 N 0.34 2.43 0.47 3.15 2.01 -1.26 -5.01 115.64 117.78 1f6a s THR 436 Ca 0.86 0.38 0.02 0.00 0.31 0.00 0.00 61.69 63.26 1f6a s THR 436 Cb -1.04 -3.22 0.09 0.00 0.01 0.00 0.00 72.50 68.34 1f6a s THR 436 CO 0.50 0.05 0.65 -1.54 -0.69 0.00 0.00 174.62 173.58 1f6a n SER 437 N -0.07 1.14 0.00 3.53 3.41 -1.26 -4.94 113.62 115.44 1f6a n SER 437 Ca 0.05 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1f6a n SER 437 Cb 0.43 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1f6a n SER 437 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6a n GLY 438 N -0.22 -1.25 3.79 5.00 0.00 -1.26 -4.78 105.19 106.48 1f6a n GLY 438 Ca 0.12 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 1f6a n GLY 438 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f6a s PRO 439 N 0.00 4.37 -0.52 1.61 0.04 -1.26 -5.01 135.00 134.23 1f6a s PRO 439 Ca 0.00 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1f6a s PRO 439 Cb 0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.35 1f6a s PRO 439 CO 0.00 0.55 0.55 1.03 0.04 0.00 0.00 177.00 179.16 1f6a s ARG 440 N -0.89 3.04 -0.21 4.56 1.81 -1.26 -4.30 118.95 121.69 1f6a s ARG 440 Ca 0.32 -1.26 -0.04 0.00 -1.72 0.00 0.00 55.73 53.03 1f6a s ARG 440 Cb -0.21 -4.18 -0.02 0.00 -0.45 0.00 0.00 34.95 30.10 1f6a s ARG 440 CO 0.22 -1.24 -0.02 0.00 -0.68 0.00 0.00 175.30 173.57 1f6a s ALA 441 N 2.16 2.91 1.00 2.13 0.00 -0.34 -4.94 121.76 124.67 1f6a s ALA 441 Ca 0.09 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1f6a s ALA 441 Cb -0.24 -1.73 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1f6a s ALA 441 CO 0.08 -0.29 0.73 0.00 0.00 0.00 0.00 175.76 176.28 1f6a n ALA 442 N 4.53 -2.17 -2.17 0.00 0.00 -1.26 -1.48 120.51 117.96 1f6a n ALA 442 Ca -0.18 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 1f6a n ALA 442 Cb 0.51 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1f6a n ALA 442 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1f6a s PRO 443 N -4.11 4.00 -0.18 0.00 0.02 -1.26 -4.11 135.00 129.36 1f6a s PRO 443 Ca 0.62 0.64 -0.00 0.00 0.02 0.00 0.00 61.00 62.28 1f6a s PRO 443 Cb -0.21 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1f6a s PRO 443 CO 0.63 0.20 -0.15 -1.21 -0.33 0.00 0.00 177.00 176.14 1f6a s GLU 444 N -2.85 3.14 -0.00 5.54 2.02 -0.69 -4.95 118.70 120.90 1f6a s GLU 444 Ca 0.52 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.82 1f6a s GLU 444 Cb -0.11 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1f6a s GLU 444 CO 0.18 -0.13 -0.23 0.54 0.02 0.00 0.00 175.26 175.65 1f6a s VAL 445 N 1.16 1.79 -0.05 2.63 0.11 -1.26 -0.51 120.40 124.27 1f6a s VAL 445 Ca 0.01 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.02 1f6a s VAL 445 Cb -0.14 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1f6a s VAL 445 CO -0.06 0.45 0.05 -0.31 -3.33 0.00 0.00 175.10 171.90 1f6a s TYR 446 N -0.58 0.19 0.00 1.54 1.51 -0.65 -4.85 117.35 114.52 1f6a s TYR 446 Ca 0.09 0.17 -0.09 0.00 -1.01 0.00 0.00 57.07 56.23 1f6a s TYR 446 Cb -0.09 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 1f6a s TYR 446 CO -0.00 -0.22 0.30 0.00 -1.11 0.00 0.00 175.55 174.52 1f6a s ALA 447 N 2.13 3.80 0.08 3.71 0.00 -1.26 -2.14 121.76 128.08 1f6a s ALA 447 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1f6a s ALA 447 Cb -0.12 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 1f6a s ALA 447 CO -0.03 0.60 0.02 1.19 0.00 0.00 0.00 175.76 177.54 1f6a n PHE 448 N 1.30 0.05 -3.62 0.00 3.01 -0.14 -4.94 117.46 113.13 1f6a n PHE 448 Ca -0.12 -0.48 -0.02 0.00 1.01 0.00 0.00 57.45 57.83 1f6a n PHE 448 Cb 0.53 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1f6a n PHE 448 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f6a s ALA 449 N -2.20 -2.30 0.60 4.37 0.00 -1.26 -3.83 121.76 117.13 1f6a s ALA 449 Ca 0.03 2.20 -0.16 0.00 0.00 0.00 0.00 51.96 54.03 1f6a s ALA 449 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1f6a s ALA 449 CO 0.02 -0.43 1.08 0.99 0.00 0.00 0.00 175.76 177.42 1f6a s THR 450 N 1.51 3.58 0.32 0.00 2.01 -0.63 -5.04 115.64 117.38 1f6a s THR 450 Ca -0.08 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 1f6a s THR 450 Cb -0.04 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1f6a s THR 450 CO -0.15 -0.40 0.59 -2.84 -0.69 0.00 0.00 174.62 171.12 1f6a s PRO 451 N -3.93 3.61 1.12 4.92 0.02 -1.26 -4.72 135.00 134.75 1f6a s PRO 451 Ca 0.66 -0.00 -0.14 0.00 0.02 0.00 0.00 61.00 61.53 1f6a s PRO 451 Cb -0.18 -2.61 0.20 0.00 0.02 0.00 0.00 34.50 31.93 1f6a s PRO 451 CO 0.36 0.15 0.67 -0.85 -0.33 0.00 0.00 177.00 177.00 1f6a n GLU 452 N -1.20 -1.84 -3.81 5.54 0.28 -1.26 -4.96 120.64 113.38 1f6a n GLU 452 Ca -0.02 -0.51 -0.12 0.00 -0.16 0.00 0.00 57.16 56.35 1f6a n GLU 452 Cb 0.54 -2.02 -0.12 0.00 1.43 0.00 0.00 31.44 31.27 1f6a n GLU 452 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1f6a s TRP 453 N -2.37 -0.20 0.65 -1.84 -0.11 -1.24 -5.03 118.94 108.79 1f6a s TRP 453 Ca 0.64 0.48 0.11 0.00 1.22 0.00 0.00 56.10 58.54 1f6a s TRP 453 Cb -0.21 0.07 0.50 0.00 -1.50 0.00 0.00 33.47 32.32 1f6a s TRP 453 CO 0.65 -0.10 1.25 -1.35 -4.62 0.00 0.00 176.95 172.78 1f6a h PRO 454 N 5.83 0.00 -0.37 5.86 0.11 -2.02 -0.35 132.00 141.07 1f6a h PRO 454 Ca -0.25 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 1f6a h PRO 454 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1f6a h PRO 454 CO 0.39 0.00 -0.16 0.78 -0.21 0.00 0.00 178.00 178.80 1f6a h GLY 455 N 0.00 0.82 -4.93 -0.55 0.00 -2.01 -3.45 103.07 92.95 1f6a h GLY 455 Ca 0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1f6a h GLY 455 CO -0.00 0.67 -0.19 -1.35 0.00 0.00 0.00 176.54 175.67 1f6a s SER 456 N -6.45 -0.40 0.00 0.19 1.04 -0.14 -5.05 113.70 102.89 1f6a s SER 456 Ca -0.12 0.66 0.14 0.00 0.48 0.00 0.00 55.95 57.10 1f6a s SER 456 Cb 0.10 0.71 0.27 0.00 0.10 0.00 0.00 66.02 67.20 1f6a s SER 456 CO 0.82 -0.27 1.16 0.54 0.98 0.00 0.00 173.24 176.48 1f6a n ARG 457 N 2.27 2.05 -0.26 4.02 1.74 -1.26 -3.70 116.66 121.52 1f6a n ARG 457 Ca -0.16 -1.83 0.05 0.00 -0.77 0.00 0.00 57.85 55.13 1f6a n ARG 457 Cb 0.57 -1.31 0.06 0.00 -1.02 0.00 0.00 32.46 30.76 1f6a n ARG 457 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f6a n ASP 458 N 0.77 1.16 -3.76 0.55 8.00 -1.26 -5.01 116.55 117.01 1f6a n ASP 458 Ca 0.12 -2.45 -0.24 0.00 0.71 0.00 0.00 54.79 52.94 1f6a n ASP 458 Cb 0.42 -0.28 -0.17 0.00 -0.02 0.00 0.00 41.12 41.06 1f6a n ASP 458 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1f6a s LYS 459 N -1.36 0.62 -0.02 -1.24 1.02 -1.26 -2.58 119.74 114.93 1f6a s LYS 459 Ca 0.15 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.20 1f6a s LYS 459 Cb 0.13 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1f6a s LYS 459 CO 0.01 -0.36 -0.12 1.03 -0.92 0.00 0.00 175.35 174.99 1f6a s ARG 460 N 1.96 1.11 -0.05 1.68 0.52 -1.17 -4.85 118.95 118.15 1f6a s ARG 460 Ca 0.04 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.66 1f6a s ARG 460 Cb -0.13 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 1f6a s ARG 460 CO -0.06 0.23 0.41 0.99 0.02 0.00 0.00 175.30 176.89 1f6a s THR 461 N -0.12 5.11 0.15 0.02 2.01 -1.26 -1.98 115.64 119.56 1f6a s THR 461 Ca 0.02 0.83 0.06 0.00 0.31 0.00 0.00 61.69 62.90 1f6a s THR 461 Cb -0.07 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1f6a s THR 461 CO 0.00 0.49 0.06 -0.76 -0.69 0.00 0.00 174.62 173.71 1f6a s LEU 462 N -0.42 3.57 -0.03 4.42 1.43 -1.19 -1.60 118.68 124.86 1f6a s LEU 462 Ca 0.23 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1f6a s LEU 462 Cb -0.16 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1f6a s LEU 462 CO 0.11 0.11 0.14 0.00 0.23 0.00 0.00 176.35 176.94 1f6a s ALA 463 N -1.63 -0.34 -0.05 4.21 0.00 -1.25 -1.96 121.76 120.74 1f6a s ALA 463 Ca 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1f6a s ALA 463 Cb -0.10 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1f6a s ALA 463 CO 0.21 -0.14 0.09 0.00 0.00 0.00 0.00 175.76 175.92 1f6a s LEU 465 N 2.11 3.53 -0.22 0.00 2.96 -0.91 -1.62 118.68 124.54 1f6a s LEU 465 Ca 0.03 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1f6a s LEU 465 Cb -0.12 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1f6a s LEU 465 CO -0.04 0.03 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.27 1f6a s ILE 466 N 1.21 2.49 0.26 6.68 1.01 -0.81 -1.63 121.20 130.40 1f6a s ILE 466 Ca 0.04 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1f6a s ILE 466 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1f6a s ILE 466 CO 0.03 0.33 0.13 0.00 0.00 0.00 0.00 174.94 175.43 1f6a n GLN 467 N 4.63 0.57 -4.04 2.79 10.64 0.34 -0.80 117.38 131.51 1f6a n GLN 467 Ca -0.18 -2.33 -0.35 0.00 -1.83 0.00 0.00 57.00 52.31 1f6a n GLN 467 Cb 0.48 1.44 -0.02 0.00 -0.86 0.00 0.00 30.24 31.29 1f6a n GLN 467 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1f6a n ASN 468 N -1.81 -2.14 -4.36 2.61 3.02 0.05 -1.70 115.26 110.92 1f6a n ASN 468 Ca -0.01 -1.18 -0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1f6a n ASN 468 Cb 0.42 -2.29 -0.10 0.00 -0.61 0.00 0.00 39.78 37.19 1f6a n ASN 468 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1f6a s PHE 469 N -3.84 1.68 -0.28 3.10 -0.12 -1.16 -4.49 117.98 112.86 1f6a s PHE 469 Ca 0.25 -0.93 -0.26 0.00 -0.05 0.00 0.00 56.93 55.94 1f6a s PHE 469 Cb -0.12 -1.00 0.17 0.00 -0.63 0.00 0.00 43.02 41.44 1f6a s PHE 469 CO 0.94 -0.02 1.29 0.00 -0.05 0.00 0.00 175.22 177.38 1f6a s MET 470 N -3.87 0.22 0.93 1.99 0.23 -0.55 -0.63 119.30 117.62 1f6a s MET 470 Ca 0.31 0.21 -0.13 0.00 -1.03 0.00 0.00 55.69 55.05 1f6a s MET 470 Cb 0.06 0.11 0.21 0.00 -1.53 0.00 0.00 34.83 33.68 1f6a s MET 470 CO 0.11 -0.04 0.47 -2.30 -2.03 0.00 0.00 175.02 171.23 1f6a n PRO 471 N 1.57 -2.33 0.00 3.16 -0.02 -1.26 -1.20 135.00 134.91 1f6a n PRO 471 Ca -0.10 -0.79 0.13 0.00 -2.02 0.00 0.00 63.50 60.73 1f6a n PRO 471 Cb 0.57 -1.28 0.47 0.00 -0.02 0.00 0.00 33.50 33.24 1f6a n PRO 471 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1f6a n GLU 472 N -2.72 0.63 -2.14 -0.52 0.28 -1.26 -4.81 120.64 110.11 1f6a n GLU 472 Ca 0.07 -0.30 -0.40 0.00 -0.16 0.00 0.00 57.16 56.37 1f6a n GLU 472 Cb 0.33 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1f6a n GLU 472 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1f6a s ASP 473 N -2.57 5.61 0.01 -1.84 1.01 -1.26 -4.89 116.67 112.73 1f6a s ASP 473 Ca 0.24 0.45 0.02 0.00 0.71 0.00 0.00 52.55 53.97 1f6a s ASP 473 Cb 0.19 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 1f6a s ASP 473 CO 0.52 -2.09 -0.08 -0.51 0.21 0.00 0.00 175.17 173.22 1f6a s ILE 474 N 7.88 0.59 -0.29 0.77 2.07 -1.26 -4.57 121.20 126.39 1f6a s ILE 474 Ca 0.64 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1f6a s ILE 474 Cb -0.14 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 41.97 1f6a s ILE 474 CO 0.23 0.02 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.82 1f6a s SER 475 N -0.58 4.74 0.34 4.50 0.01 -0.91 -4.82 113.70 116.98 1f6a s SER 475 Ca -0.00 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1f6a s SER 475 Cb -0.05 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 1f6a s SER 475 CO 0.00 -0.26 0.53 -0.69 0.41 0.00 0.00 173.24 173.23 1f6a s VAL 476 N 1.17 5.06 0.06 3.43 1.01 -1.26 -0.93 120.40 128.92 1f6a s VAL 476 Ca -0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1f6a s VAL 476 Cb -0.20 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1f6a s VAL 476 CO -0.03 -0.52 1.16 0.00 0.00 0.00 0.00 175.10 175.71 1f6a n GLN 477 N -1.76 0.35 -4.07 2.72 10.64 -1.18 -4.99 117.38 119.09 1f6a n GLN 477 Ca -0.05 -1.02 -0.09 0.00 -1.83 0.00 0.00 57.00 54.01 1f6a n GLN 477 Cb 0.56 1.52 -0.11 0.00 -0.86 0.00 0.00 30.24 31.36 1f6a n GLN 477 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1f6a s TRP 478 N -2.09 0.55 0.20 2.61 0.52 -1.26 -2.20 118.94 117.27 1f6a s TRP 478 Ca 0.27 -0.79 0.07 0.00 0.02 0.00 0.00 56.10 55.67 1f6a s TRP 478 Cb -0.02 -0.36 -0.05 0.00 -1.15 0.00 0.00 33.47 31.89 1f6a s TRP 478 CO 0.02 -0.23 -0.12 -0.51 0.02 0.00 0.00 176.95 176.13 1f6a s LEU 479 N -2.30 2.52 -0.32 2.99 1.43 0.48 -2.30 118.68 121.18 1f6a s LEU 479 Ca -0.01 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1f6a s LEU 479 Cb -0.01 -0.58 0.19 0.00 0.03 0.00 0.00 46.19 45.82 1f6a s LEU 479 CO -0.05 -0.24 0.74 -2.28 0.23 0.00 0.00 176.35 174.75 1f6a s HIS 480 N -3.07 -1.40 -0.90 0.29 2.46 -0.86 -2.14 115.29 109.67 1f6a s HIS 480 Ca 0.22 0.63 -0.03 0.00 0.47 0.00 0.00 55.06 56.35 1f6a s HIS 480 Cb 0.01 0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 1f6a s HIS 480 CO 0.06 -0.86 0.77 -1.71 -2.47 0.00 0.00 174.74 170.53 1f6a n ASN 481 N 4.96 -3.44 -1.07 9.88 4.05 -1.26 -2.53 115.26 125.86 1f6a n ASN 481 Ca 0.07 -0.41 -0.12 0.00 0.45 0.00 0.00 54.58 54.57 1f6a n ASN 481 Cb 0.56 -3.74 -0.04 0.00 1.23 0.00 0.00 39.78 37.80 1f6a n ASN 481 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1f6a n GLU 482 N -3.43 -0.87 -3.97 1.20 -0.58 -1.26 -4.99 120.64 106.73 1f6a n GLU 482 Ca -0.11 0.81 -0.31 0.00 -0.42 0.00 0.00 57.16 57.13 1f6a n GLU 482 Cb 0.58 -4.87 -0.15 0.00 -0.57 0.00 0.00 31.44 26.44 1f6a n GLU 482 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1f6a s VAL 483 N -2.50 1.79 -0.75 2.62 1.01 -1.05 -5.06 120.40 116.47 1f6a s VAL 483 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.17 1f6a s VAL 483 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1f6a s VAL 483 CO 0.00 -0.22 1.98 -1.58 0.00 0.00 0.00 175.10 175.28 1f6a s GLN 484 N 1.24 2.48 0.92 2.72 0.74 -1.26 -2.02 119.66 124.48 1f6a s GLN 484 Ca -0.02 0.24 -0.16 0.00 0.05 0.00 0.00 55.36 55.47 1f6a s GLN 484 Cb -0.19 -4.74 -0.08 0.00 1.10 0.00 0.00 33.01 29.10 1f6a s GLN 484 CO -0.08 -3.19 -0.21 1.28 -0.55 0.00 0.00 175.29 172.54 1f6a n LEU 485 N 13.96 -3.22 -4.70 3.68 4.77 -0.97 -4.87 117.00 125.65 1f6a n LEU 485 Ca 0.32 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 56.19 1f6a n LEU 485 Cb 0.49 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1f6a n LEU 485 CO 0.65 -4.85 1.27 -2.84 -1.33 0.00 0.00 177.39 170.28 1f6a s PRO 486 N -2.56 4.22 0.34 3.23 0.02 -1.26 -4.82 135.00 134.17 1f6a s PRO 486 Ca 0.49 2.28 0.14 0.00 0.02 0.00 0.00 61.00 63.93 1f6a s PRO 486 Cb -0.23 -3.49 1.07 0.00 0.02 0.00 0.00 34.50 31.87 1f6a s PRO 486 CO 0.74 -0.67 1.65 0.22 -0.33 0.00 0.00 177.00 178.61 1f6a h ASP 487 N 7.89 0.44 0.00 2.53 1.82 -1.96 0.60 116.42 127.75 1f6a h ASP 487 Ca -0.42 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1f6a h ASP 487 Cb 1.20 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1f6a h ASP 487 CO 0.92 -0.17 0.00 0.00 -1.61 0.00 0.00 179.24 178.38 1f6a n ALA 488 N -2.34 2.10 0.08 -0.78 0.00 -1.26 -3.21 120.51 115.10 1f6a n ALA 488 Ca 0.31 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 1f6a n ALA 488 Cb 0.98 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.10 1f6a n ALA 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a h ARG 489 N 0.00 0.24 -6.30 0.00 2.47 -0.15 -3.47 114.38 107.16 1f6a h ARG 489 Ca 0.00 -0.40 -0.60 0.00 -1.26 0.00 0.00 59.98 57.72 1f6a h ARG 489 Cb 0.00 0.15 -0.13 0.00 -1.65 0.00 0.00 29.97 28.35 1f6a h ARG 489 CO 0.00 1.13 -0.71 -3.38 0.56 0.00 0.00 179.97 177.58 1f6a s HIS 490 N -2.64 2.55 -0.22 3.04 -3.43 -1.20 -4.44 115.29 108.96 1f6a s HIS 490 Ca -0.06 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 53.91 1f6a s HIS 490 Cb 0.07 -1.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.05 1f6a s HIS 490 CO 0.86 0.61 -0.07 0.45 -2.00 0.00 0.00 174.74 174.59 1f6a s SER 491 N -3.32 4.07 -0.10 7.38 0.15 0.25 -4.94 113.70 117.21 1f6a s SER 491 Ca 0.28 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1f6a s SER 491 Cb -0.07 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1f6a s SER 491 CO 0.17 -0.03 -0.15 -0.89 1.20 0.00 0.00 173.24 173.54 1f6a s THR 492 N 1.43 2.91 0.67 6.45 2.01 -1.26 -0.76 115.64 127.09 1f6a s THR 492 Ca 0.05 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1f6a s THR 492 Cb -0.14 -2.18 0.15 0.00 0.01 0.00 0.00 72.50 70.34 1f6a s THR 492 CO -0.05 0.55 0.91 0.35 -0.69 0.00 0.00 174.62 175.69 1f6a n THR 493 N 3.07 0.00 -3.77 -0.82 -2.24 0.17 -5.00 114.28 105.69 1f6a n THR 493 Ca -0.18 -0.68 -0.34 0.00 -2.27 0.00 0.00 64.05 60.59 1f6a n THR 493 Cb 0.52 -1.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.05 1f6a n THR 493 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1f6a s GLN 494 N -4.98 3.56 0.52 -0.78 -1.52 -1.26 -4.71 119.66 110.50 1f6a s GLN 494 Ca 0.51 -0.12 -0.20 0.00 -1.95 0.00 0.00 55.36 53.60 1f6a s GLN 494 Cb -0.01 -3.05 -0.09 0.00 -0.22 0.00 0.00 33.01 29.63 1f6a s GLN 494 CO 0.36 0.63 0.63 -2.30 -0.25 0.00 0.00 175.29 174.36 1f6a n PRO 495 N 0.93 0.67 -3.85 2.91 -0.02 -1.26 -4.81 135.00 129.57 1f6a n PRO 495 Ca -0.10 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1f6a n PRO 495 Cb 0.53 -1.75 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 1f6a n PRO 495 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f6a s ARG 496 N -2.04 0.32 0.69 -0.52 0.52 -1.07 -4.94 118.95 111.91 1f6a s ARG 496 Ca 0.68 -0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.68 1f6a s ARG 496 Cb -0.49 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.12 1f6a s ARG 496 CO 0.55 -0.06 1.06 0.15 0.02 0.00 0.00 175.30 177.01 1f6a s LYS 497 N -0.64 3.03 0.14 3.54 1.02 -1.26 -1.17 119.74 124.40 1f6a s LYS 497 Ca -0.07 0.80 0.04 0.00 0.02 0.00 0.00 55.97 56.76 1f6a s LYS 497 Cb -0.04 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1f6a s LYS 497 CO 0.01 -1.00 -0.08 0.95 -0.92 0.00 0.00 175.35 174.31 1f6a s THR 498 N -3.13 1.04 -1.09 2.17 -4.23 -0.37 -4.86 115.64 105.17 1f6a s THR 498 Ca 0.57 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1f6a s THR 498 Cb -0.13 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1f6a s THR 498 CO 0.54 -0.73 0.24 1.17 -0.54 0.00 0.00 174.62 175.30 1f6a n LYS 499 N -0.18 0.45 -0.51 3.99 4.81 -1.26 -1.81 118.16 123.65 1f6a n LYS 499 Ca -0.10 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.40 1f6a n LYS 499 Cb 0.61 -1.20 0.12 0.00 0.02 0.00 0.00 35.03 34.57 1f6a n LYS 499 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6a n GLY 500 N 0.25 3.63 3.19 3.14 0.00 -1.26 -4.98 105.19 109.16 1f6a n GLY 500 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1f6a n GLY 500 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f6a n SER 501 N -0.81 -4.06 -4.71 1.61 3.41 -0.75 -4.94 113.62 103.37 1f6a n SER 501 Ca 0.13 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.48 1f6a n SER 501 Cb 0.74 -3.03 -0.08 0.00 -0.26 0.00 0.00 64.21 61.57 1f6a n SER 501 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1f6a s GLY 502 N -1.86 2.41 0.45 5.00 0.00 -1.26 -4.92 107.32 107.13 1f6a s GLY 502 Ca 0.00 -2.10 0.08 0.00 0.00 0.00 0.00 44.72 42.69 1f6a s GLY 502 CO 0.00 -1.98 0.46 -1.36 0.00 0.00 0.00 173.10 170.22 1f6a s PHE 503 N -2.65 2.50 -0.15 1.90 0.40 0.19 -1.24 117.98 118.94 1f6a s PHE 503 Ca 0.38 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 1f6a s PHE 503 Cb 0.06 -2.19 0.05 0.00 0.51 0.00 0.00 43.02 41.44 1f6a s PHE 503 CO 0.21 -0.31 0.37 -0.59 0.70 0.00 0.00 175.22 175.59 1f6a s PHE 504 N -2.50 -0.48 0.06 0.36 -0.12 -0.31 -0.77 117.98 114.22 1f6a s PHE 504 Ca 0.49 1.08 0.05 0.00 -0.05 0.00 0.00 56.93 58.51 1f6a s PHE 504 Cb -0.05 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 1f6a s PHE 504 CO 0.29 -0.26 -0.15 0.54 -0.05 0.00 0.00 175.22 175.59 1f6a s VAL 505 N 0.87 1.16 0.04 -2.49 0.11 0.02 -2.59 120.40 117.52 1f6a s VAL 505 Ca -0.05 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 1f6a s VAL 505 Cb -0.06 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1f6a s VAL 505 CO -0.06 -0.12 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.11 1f6a s PHE 506 N -1.10 2.74 0.02 1.54 2.99 -1.26 -1.93 117.98 120.97 1f6a s PHE 506 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 56.93 56.83 1f6a s PHE 506 Cb -0.09 -1.52 -0.02 0.00 0.00 0.00 0.00 43.02 41.39 1f6a s PHE 506 CO 0.02 0.34 -0.13 0.45 -0.00 0.00 0.00 175.22 175.90 1f6a s SER 507 N -1.58 1.53 -0.06 1.36 0.15 -0.64 -0.66 113.70 113.81 1f6a s SER 507 Ca 0.17 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1f6a s SER 507 Cb -0.11 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1f6a s SER 507 CO 0.08 0.07 -0.06 -0.60 1.20 0.00 0.00 173.24 173.93 1f6a s ARG 508 N -0.81 1.02 -0.42 5.44 3.52 0.06 -1.41 118.95 126.35 1f6a s ARG 508 Ca 0.02 -0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1f6a s ARG 508 Cb -0.07 -1.02 0.14 0.00 -1.56 0.00 0.00 34.95 32.44 1f6a s ARG 508 CO 0.01 -0.10 0.23 -1.17 -0.81 0.00 0.00 175.30 173.45 1f6a s LEU 509 N 1.06 2.37 0.53 -0.88 2.96 -0.83 -0.58 118.68 123.31 1f6a s LEU 509 Ca -0.09 -2.54 -0.21 0.00 -0.22 0.00 0.00 54.13 51.08 1f6a s LEU 509 Cb -0.14 -0.92 -0.07 0.00 0.50 0.00 0.00 46.19 45.56 1f6a s LEU 509 CO -0.01 -0.28 1.00 -0.62 -1.32 0.00 0.00 176.35 175.13 1f6a n GLU 510 N 3.64 1.13 -4.15 1.98 1.02 -1.26 -3.15 120.64 119.85 1f6a n GLU 510 Ca 0.09 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1f6a n GLU 510 Cb 0.35 -2.15 -0.11 0.00 -0.02 0.00 0.00 31.44 29.52 1f6a n GLU 510 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1f6a s VAL 511 N -1.42 0.79 -0.08 2.62 1.01 -0.84 -4.91 120.40 117.58 1f6a s VAL 511 Ca 0.70 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1f6a s VAL 511 Cb -0.46 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1f6a s VAL 511 CO 0.51 -0.60 -0.02 -0.89 0.00 0.00 0.00 175.10 174.10 1f6a s THR 512 N -2.53 4.13 0.21 3.92 2.01 -1.26 -3.02 115.64 119.10 1f6a s THR 512 Ca 0.04 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 1f6a s THR 512 Cb -0.02 -2.72 0.20 0.00 0.01 0.00 0.00 72.50 69.96 1f6a s THR 512 CO -0.01 0.60 1.58 -0.09 -0.69 0.00 0.00 174.62 176.01 1f6a h ARG 513 N 5.18 -0.08 -0.97 4.92 2.43 -1.90 0.02 114.38 123.97 1f6a h ARG 513 Ca -0.50 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 58.96 1f6a h ARG 513 Cb 1.19 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.58 1f6a h ARG 513 CO 0.54 -0.05 0.13 0.00 -1.51 0.00 0.00 179.97 179.08 1f6a h ALA 514 N 1.26 1.33 -0.28 2.80 0.00 -1.96 -1.04 119.26 121.37 1f6a h ALA 514 Ca 0.30 0.31 -0.09 0.00 0.00 0.00 0.00 54.91 55.43 1f6a h ALA 514 Cb 0.57 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1f6a h ALA 514 CO -0.81 -0.62 -0.20 0.93 0.00 0.00 0.00 179.25 178.55 1f6a h GLU 515 N 0.03 0.51 0.00 0.00 5.08 -1.36 -2.64 114.58 116.21 1f6a h GLU 515 Ca 0.63 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1f6a h GLU 515 Cb 1.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1f6a h GLU 515 CO -0.86 0.68 -0.20 -2.67 -1.00 0.00 0.00 179.01 174.97 1f6a n TRP 516 N -4.15 0.07 0.05 4.33 2.14 -0.41 -2.66 117.44 116.80 1f6a n TRP 516 Ca 0.00 0.02 -0.03 0.00 2.07 0.00 0.00 57.50 59.56 1f6a n TRP 516 Cb 0.38 -0.44 -0.08 0.00 -0.81 0.00 0.00 31.31 30.36 1f6a n TRP 516 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1f6a h GLU 517 N 0.00 0.00 -0.16 -2.67 5.08 -1.38 -3.14 114.58 112.32 1f6a h GLU 517 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1f6a h GLU 517 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1f6a h GLU 517 CO 0.00 0.50 -0.28 0.37 -1.00 0.00 0.00 179.01 178.61 1f6a h GLN 518 N 0.00 0.30 -1.13 2.33 4.15 -1.26 -3.46 115.11 116.04 1f6a h GLN 518 Ca -0.13 -0.11 0.31 0.00 0.77 0.00 0.00 58.65 59.50 1f6a h GLN 518 Cb 1.67 -0.02 -0.21 0.00 0.21 0.00 0.00 27.48 29.13 1f6a h GLN 518 CO 0.07 0.56 0.95 0.21 -1.93 0.00 0.00 178.83 178.69 1f6a s LYS 519 N -4.42 0.08 -0.22 1.69 2.20 -1.09 -5.07 119.74 112.91 1f6a s LYS 519 Ca -0.05 -0.03 0.11 0.00 -0.36 0.00 0.00 55.97 55.64 1f6a s LYS 519 Cb 0.14 0.04 -0.22 0.00 -1.51 0.00 0.00 37.83 36.28 1f6a s LYS 519 CO 0.76 -0.04 -0.04 -0.25 -0.36 0.00 0.00 175.35 175.43 1f6a n ASP 520 N -0.00 0.87 -4.56 1.43 8.00 -1.24 -3.77 116.55 117.28 1f6a n ASP 520 Ca 0.04 -0.05 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1f6a n ASP 520 Cb 0.57 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 1f6a n ASP 520 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6a n GLU 521 N -2.98 1.69 -4.93 -1.24 1.02 -1.26 -4.20 120.64 108.74 1f6a n GLU 521 Ca -0.38 0.44 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 1f6a n GLU 521 Cb 1.09 -3.08 -0.16 0.00 -0.02 0.00 0.00 31.44 29.26 1f6a n GLU 521 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1f6a s PHE 522 N 8.43 2.66 -0.07 -0.32 0.40 -1.08 -4.27 117.98 123.73 1f6a s PHE 522 Ca 1.03 -1.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1f6a s PHE 522 Cb -0.44 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 1f6a s PHE 522 CO 0.38 -0.42 -0.15 0.42 0.70 0.00 0.00 175.22 176.15 1f6a s ILE 523 N 0.49 2.96 -0.60 0.64 1.01 -0.91 -1.61 121.20 123.18 1f6a s ILE 523 Ca -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1f6a s ILE 523 Cb -0.17 -2.17 0.15 0.00 0.01 0.00 0.00 42.46 40.28 1f6a s ILE 523 CO 0.05 0.57 0.39 0.00 0.00 0.00 0.00 174.94 175.95 1f6a s ARG 525 N -0.34 1.13 -0.19 0.00 3.52 -0.94 -3.65 118.95 118.49 1f6a s ARG 525 Ca 0.18 0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 56.02 1f6a s ARG 525 Cb -0.21 -1.83 0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1f6a s ARG 525 CO -0.03 -2.23 0.50 0.00 -0.81 0.00 0.00 175.30 172.73 1f6a s ALA 526 N -3.19 -1.25 -0.18 6.12 0.00 0.74 -3.10 121.76 120.89 1f6a s ALA 526 Ca 0.64 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1f6a s ALA 526 Cb -0.16 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1f6a s ALA 526 CO 0.54 -0.25 -0.18 0.08 0.00 0.00 0.00 175.76 175.95 1f6a s VAL 527 N 0.56 2.22 0.08 0.00 1.01 -0.11 -1.37 120.40 122.78 1f6a s VAL 527 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1f6a s VAL 527 Cb -0.04 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1f6a s VAL 527 CO -0.03 0.53 -0.07 -2.28 0.00 0.00 0.00 175.10 173.25 1f6a s HIS 528 N 1.30 0.79 -0.01 5.22 2.46 -1.11 -2.15 115.29 121.80 1f6a s HIS 528 Ca 0.05 -0.78 0.31 0.00 0.47 0.00 0.00 55.06 55.11 1f6a s HIS 528 Cb -0.13 -0.47 1.43 0.00 -0.13 0.00 0.00 32.58 33.28 1f6a s HIS 528 CO -0.12 -0.14 1.93 1.49 -2.47 0.00 0.00 174.74 175.43 1f6a h GLU 529 N 3.49 0.00 0.00 2.88 4.81 -1.87 -3.39 114.58 120.51 1f6a h GLU 529 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1f6a h GLU 529 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1f6a h GLU 529 CO 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.85 1f6a n ALA 530 N -1.94 0.00 0.00 2.92 0.00 -1.26 -5.01 120.51 115.22 1f6a n ALA 530 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f6a n ALA 530 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1f6a n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a n ALA 531 N -3.00 -0.13 -2.57 0.00 0.00 -1.26 -4.69 120.51 108.86 1f6a n ALA 531 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1f6a n ALA 531 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1f6a n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f6a s SER 532 N 0.00 5.09 -0.01 0.00 0.01 -1.26 -2.56 113.70 114.97 1f6a s SER 532 Ca 0.00 -0.55 0.20 0.00 1.31 0.00 0.00 55.95 56.91 1f6a s SER 532 Cb 0.00 -0.96 -0.24 0.00 0.21 0.00 0.00 66.02 65.03 1f6a s SER 532 CO 0.00 -0.26 0.72 -0.81 0.41 0.00 0.00 173.24 173.30 1f6a n PRO 533 N -1.24 0.52 -0.73 12.44 -0.04 -1.26 -4.64 135.00 140.06 1f6a n PRO 533 Ca -0.04 -0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.44 1f6a n PRO 533 Cb 0.60 -1.45 0.35 0.00 -0.04 0.00 0.00 33.50 32.96 1f6a n PRO 533 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f6a n SER 534 N -1.69 5.02 -0.78 3.54 3.41 -1.26 -4.92 113.62 116.94 1f6a n SER 534 Ca 0.02 -2.98 -0.10 0.00 -0.26 0.00 0.00 58.87 55.54 1f6a n SER 534 Cb 0.37 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 1f6a n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f6a n GLN 535 N 0.16 -1.63 -4.32 4.33 6.02 -1.06 -4.96 117.38 115.94 1f6a n GLN 535 Ca 0.26 0.85 -0.23 0.00 -0.01 0.00 0.00 57.00 57.86 1f6a n GLN 535 Cb 1.09 -5.23 -0.08 0.00 1.02 0.00 0.00 30.24 27.04 1f6a n GLN 535 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1f6a s THR 536 N -1.92 3.08 -0.29 5.09 2.01 -1.26 -2.74 115.64 119.60 1f6a s THR 536 Ca 0.00 -1.99 -0.12 0.00 0.31 0.00 0.00 61.69 59.88 1f6a s THR 536 Cb 0.00 -2.75 0.12 0.00 0.01 0.00 0.00 72.50 69.87 1f6a s THR 536 CO 0.00 -0.33 0.69 -0.69 -0.69 0.00 0.00 174.62 173.60 1f6a s VAL 537 N -2.40 -0.63 0.10 3.82 1.01 -0.47 -4.60 120.40 117.22 1f6a s VAL 537 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 1f6a s VAL 537 Cb -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1f6a s VAL 537 CO 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 175.10 175.29 1f6a s GLN 538 N 2.44 0.81 -0.06 2.72 -2.07 -1.26 -0.18 119.66 122.06 1f6a s GLN 538 Ca -0.07 -1.35 -0.02 0.00 -1.82 0.00 0.00 55.36 52.10 1f6a s GLN 538 Cb -0.09 0.08 0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1f6a s GLN 538 CO -0.19 -0.14 0.10 0.50 -1.32 0.00 0.00 175.29 174.24 1f6a s ARG 539 N -3.94 -0.01 0.89 9.60 6.06 -1.24 -5.01 118.95 125.30 1f6a s ARG 539 Ca 0.15 0.40 -0.12 0.00 -2.50 0.00 0.00 55.73 53.67 1f6a s ARG 539 Cb 0.07 -0.33 0.13 0.00 0.06 0.00 0.00 34.95 34.88 1f6a s ARG 539 CO -0.04 -0.26 1.10 0.00 -2.50 0.00 0.00 175.30 173.60 1f6a s ALA 540 N 1.83 1.67 0.39 6.12 0.00 -1.26 -3.30 121.76 127.20 1f6a s ALA 540 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1f6a s ALA 540 Cb -0.12 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1f6a s ALA 540 CO -0.04 -2.27 0.78 0.54 0.00 0.00 0.00 175.76 174.76 1f6a s VAL 541 N -3.08 0.00 0.00 0.00 0.11 -0.63 -4.67 120.40 112.12 1f6a s VAL 541 Ca 0.63 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1f6a s VAL 541 Cb -0.16 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1f6a s VAL 541 CO 0.55 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.78 1f6a n SER 542 N -1.44 0.00 -4.90 3.54 3.41 -1.26 -2.62 113.62 110.36 1f6a n SER 542 Ca -0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1f6a n SER 542 Cb 0.60 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1f6a n SER 542 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f6a s VAL 543 N -2.00 4.96 0.00 -3.33 1.01 -1.26 -4.93 120.40 114.85 1f6a s VAL 543 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1f6a s VAL 543 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1f6a s VAL 543 CO 0.00 -0.36 0.00 0.59 0.00 0.00 0.00 175.10 175.33