#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut s PRO 340 N 0.00 3.20 0.43 1.61 0.04 -1.26 -4.75 135.00 134.27 3gut s PRO 340 Ca 0.00 -0.45 0.02 0.00 0.04 0.00 0.00 61.00 60.61 3gut s PRO 340 Cb 0.00 -4.17 0.02 0.00 0.04 0.00 0.00 34.50 30.39 3gut s PRO 340 CO 0.00 -1.90 0.18 2.48 0.04 0.00 0.00 177.00 177.80 3gut n TYR 341 N 8.40 0.03 -4.42 0.56 4.11 -1.23 -4.78 117.16 119.82 3gut n TYR 341 Ca 0.00 -1.97 -0.25 0.00 -0.00 0.00 0.00 57.90 55.69 3gut n TYR 341 Cb 0.47 -0.33 -0.09 0.00 -0.00 0.00 0.00 39.34 39.40 3gut n TYR 341 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3gut s LEU 342 N 0.00 2.83 -0.28 -3.48 2.96 -1.26 -2.68 118.68 116.77 3gut s LEU 342 Ca 0.14 -1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 3gut s LEU 342 Cb -0.01 -1.24 0.08 0.00 0.50 0.00 0.00 46.19 45.52 3gut s LEU 342 CO 0.09 -0.11 0.72 -1.58 -1.32 0.00 0.00 176.35 174.15 3gut s GLN 343 N -3.62 0.76 0.17 1.98 0.74 -1.07 -4.93 119.66 113.68 3gut s GLN 343 Ca 0.32 1.10 -0.30 0.00 0.05 0.00 0.00 55.36 56.53 3gut s GLN 343 Cb -0.02 0.26 -0.07 0.00 1.10 0.00 0.00 33.01 34.28 3gut s GLN 343 CO 0.17 -0.12 0.94 0.42 -0.55 0.00 0.00 175.29 176.15 3gut s ILE 344 N 1.02 4.32 -0.22 -2.34 1.01 -1.26 -1.18 121.20 122.55 3gut s ILE 344 Ca -0.05 2.05 -0.16 0.00 0.00 0.00 0.00 60.65 62.48 3gut s ILE 344 Cb -0.05 -4.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 3gut s ILE 344 CO -0.10 0.41 -0.34 0.18 0.00 0.00 0.00 174.94 175.08 3gut n LEU 345 N 2.17 1.94 -3.88 2.97 4.32 0.28 -4.89 117.00 119.92 3gut n LEU 345 Ca -0.00 0.34 -0.30 0.00 -0.02 0.00 0.00 56.01 56.03 3gut n LEU 345 Cb 0.48 -0.77 -0.15 0.00 -1.62 0.00 0.00 43.42 41.35 3gut n LEU 345 CO 0.50 0.05 -0.38 -0.70 -1.22 0.00 0.00 177.39 175.64 3gut s GLU 346 N -2.74 1.25 0.51 3.23 2.12 0.54 -4.94 118.70 118.67 3gut s GLU 346 Ca -0.32 -1.09 -0.22 0.00 0.36 0.00 0.00 54.97 53.69 3gut s GLU 346 Cb 0.08 -2.48 -0.07 0.00 0.26 0.00 0.00 34.13 31.92 3gut s GLU 346 CO 0.45 -0.76 1.20 1.04 -0.54 0.00 0.00 175.26 176.65 3gut n GLN 347 N 4.69 1.51 -1.11 4.30 1.13 -1.26 -2.27 117.38 124.37 3gut n GLN 347 Ca -0.06 0.55 -0.31 0.00 -1.94 0.00 0.00 57.00 55.24 3gut n GLN 347 Cb 0.43 -2.36 0.12 0.00 0.11 0.00 0.00 30.24 28.55 3gut n GLN 347 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3gut s PRO 348 N -2.58 1.64 0.03 -1.09 0.04 -1.26 0.19 135.00 131.97 3gut s PRO 348 Ca 0.69 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3gut s PRO 348 Cb -0.46 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3gut s PRO 348 CO 0.52 -2.07 1.18 0.21 0.04 0.00 0.00 177.00 176.88 3gut s LYS 349 N -4.85 4.43 0.11 4.56 2.20 -0.86 -4.03 119.74 121.30 3gut s LYS 349 Ca 0.63 1.72 -0.18 0.00 -0.36 0.00 0.00 55.97 57.78 3gut s LYS 349 Cb -0.19 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 3gut s LYS 349 CO 0.57 -0.28 1.66 1.96 -0.36 0.00 0.00 175.35 178.90 3gut h GLN 350 N 6.95 0.41 -5.60 4.03 4.20 -1.91 -3.46 115.11 119.74 3gut h GLN 350 Ca -0.40 -0.07 -0.62 0.00 0.06 0.00 0.00 58.65 57.62 3gut h GLN 350 Cb 1.20 -0.07 -0.13 0.00 0.30 0.00 0.00 27.48 28.78 3gut h GLN 350 CO 0.82 0.43 -0.59 1.03 -0.67 0.00 0.00 178.83 179.84 3gut s ARG 351 N -5.60 1.96 0.00 1.46 0.52 -1.26 -2.18 118.95 113.85 3gut s ARG 351 Ca -0.13 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 52.96 3gut s ARG 351 Cb 0.08 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.98 3gut s ARG 351 CO 0.72 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.37 3gut n GLY 352 N -0.97 3.25 3.80 -3.53 0.00 -1.26 -5.02 105.19 101.46 3gut n GLY 352 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3gut n GLY 352 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gut s PHE 353 N -2.46 3.66 -0.14 1.61 5.36 -1.26 -4.72 117.98 120.02 3gut s PHE 353 Ca 0.00 1.55 -0.06 0.00 -0.96 0.00 0.00 56.93 57.47 3gut s PHE 353 Cb 0.00 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 3gut s PHE 353 CO 0.00 0.27 0.05 0.50 -1.46 0.00 0.00 175.22 174.58 3gut s ARG 354 N -2.04 3.60 0.26 10.12 3.52 -1.26 -0.28 118.95 132.87 3gut s ARG 354 Ca 0.46 -0.34 -0.23 0.00 -0.13 0.00 0.00 55.73 55.50 3gut s ARG 354 Cb -0.17 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 3gut s ARG 354 CO 0.22 0.47 0.82 -0.06 -0.81 0.00 0.00 175.30 175.94 3gut s PHE 355 N -0.19 3.70 0.01 5.12 0.40 -1.26 -4.75 117.98 121.00 3gut s PHE 355 Ca 0.07 1.58 0.08 0.00 -0.60 0.00 0.00 56.93 58.06 3gut s PHE 355 Cb -0.12 -2.76 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 3gut s PHE 355 CO 0.01 0.31 -0.23 1.03 0.70 0.00 0.00 175.22 177.05 3gut s ARG 356 N -1.91 2.06 0.28 0.44 1.81 0.28 -4.82 118.95 117.09 3gut s ARG 356 Ca 0.45 -0.96 -0.13 0.00 -1.72 0.00 0.00 55.73 53.37 3gut s ARG 356 Cb -0.18 -2.10 -0.08 0.00 -0.45 0.00 0.00 34.95 32.13 3gut s ARG 356 CO 0.23 0.55 0.65 0.71 -0.68 0.00 0.00 175.30 176.76 3gut s TYR 357 N -0.76 3.40 0.14 -0.53 1.51 -1.26 0.33 117.35 120.17 3gut s TYR 357 Ca 0.12 1.06 -0.28 0.00 -1.01 0.00 0.00 57.07 56.96 3gut s TYR 357 Cb -0.10 -2.41 -0.07 0.00 -0.11 0.00 0.00 41.96 39.27 3gut s TYR 357 CO 0.02 0.17 1.48 0.28 -1.11 0.00 0.00 175.55 176.39 3gut h VAL 358 N 1.98 0.00 0.00 0.71 2.07 -1.91 0.30 116.25 119.40 3gut h VAL 358 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3gut h VAL 358 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3gut h VAL 358 CO 0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.26 3gut n GLU 360 N -0.48 0.61 0.00 0.00 1.02 0.10 -5.08 120.64 116.81 3gut n GLU 360 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3gut n GLU 360 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 3gut n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gut n GLY 361 N 1.21 0.93 4.01 0.62 0.00 -0.80 -5.05 105.19 106.10 3gut n GLY 361 Ca -0.01 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 3gut n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gut s PRO 362 N -1.19 2.62 0.00 1.61 0.04 -1.26 -4.91 135.00 131.91 3gut s PRO 362 Ca 0.00 -1.25 0.00 0.00 0.04 0.00 0.00 61.00 59.79 3gut s PRO 362 Cb 0.00 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3gut s PRO 362 CO 0.00 -0.52 0.00 0.43 0.04 0.00 0.00 177.00 176.95 3gut n SER 363 N -2.06 -2.20 0.00 6.66 7.64 -1.26 -4.96 113.62 117.45 3gut n SER 363 Ca 0.10 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.78 3gut n SER 363 Cb 0.60 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 3gut n SER 363 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gut n HIS 364 N 2.03 0.00 0.00 1.43 8.25 -1.26 -5.10 115.22 120.57 3gut n HIS 364 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gut n HIS 364 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gut n HIS 364 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gut n GLY 365 N 0.02 3.81 3.89 -1.41 0.00 -1.26 -5.10 105.19 105.14 3gut n GLY 365 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3gut n GLY 365 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gut s GLY 366 N 0.00 1.60 -0.48 -0.02 0.00 -1.26 -4.70 107.32 102.46 3gut s GLY 366 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 3gut s GLY 366 CO 0.00 -0.05 1.22 -2.27 0.00 0.00 0.00 173.10 172.00 3gut s LEU 367 N -5.06 3.59 0.73 0.66 2.96 0.11 -4.84 118.68 116.83 3gut s LEU 367 Ca 0.53 0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 54.78 3gut s LEU 367 Cb -0.11 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3gut s LEU 367 CO 0.50 -1.34 1.07 -2.65 -1.32 0.00 0.00 176.35 172.61 3gut n PRO 368 N 8.01 0.53 -2.66 0.98 -0.02 -1.26 -4.35 135.00 136.23 3gut n PRO 368 Ca 0.13 0.24 -0.25 0.00 -2.02 0.00 0.00 63.50 61.60 3gut n PRO 368 Cb 0.49 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3gut n PRO 368 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gut s GLY 369 N -1.70 1.58 0.55 -1.23 0.00 -0.70 -2.03 107.32 103.79 3gut s GLY 369 Ca 0.75 -0.82 0.36 0.00 0.00 0.00 0.00 44.72 45.01 3gut s GLY 369 CO 0.49 -0.59 2.08 0.00 0.00 0.00 0.00 173.10 175.07 3gut h ALA 370 N 0.10 1.00 0.00 3.20 0.00 0.19 -2.48 119.26 121.26 3gut h ALA 370 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3gut h ALA 370 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3gut h ALA 370 CO 0.59 0.00 -1.93 0.43 0.00 0.00 0.00 179.25 178.34 3gut n SER 371 N -2.95 0.10 -4.26 0.00 7.64 -1.26 -4.85 113.62 108.04 3gut n SER 371 Ca -0.01 0.04 -0.46 0.00 1.01 0.00 0.00 58.87 59.45 3gut n SER 371 Cb 0.19 1.73 -0.03 0.00 -1.01 0.00 0.00 64.21 65.09 3gut n SER 371 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3gut n SER 372 N -2.36 -1.33 -4.36 6.43 2.88 -0.93 -4.86 113.62 109.10 3gut n SER 372 Ca -0.06 1.07 -0.18 0.00 -1.33 0.00 0.00 58.87 58.37 3gut n SER 372 Cb 0.63 -0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 3gut n SER 372 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3gut s GLU 373 N -0.97 1.43 0.21 -1.46 0.41 0.29 -4.87 118.70 113.73 3gut s GLU 373 Ca 0.62 -1.75 0.24 0.00 -0.41 0.00 0.00 54.97 53.67 3gut s GLU 373 Cb -0.88 -0.61 0.92 0.00 -1.78 0.00 0.00 34.13 31.77 3gut s GLU 373 CO 0.55 -0.15 1.72 1.17 -0.49 0.00 0.00 175.26 178.05 3gut n LYS 374 N -0.49 0.19 -0.12 1.61 3.00 -1.26 -2.90 118.16 118.19 3gut n LYS 374 Ca -0.03 0.33 -0.22 0.00 -0.00 0.00 0.00 58.31 58.39 3gut n LYS 374 Cb 0.65 -1.81 -0.07 0.00 0.00 0.00 0.00 35.03 33.80 3gut n LYS 374 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3gut n ASN 375 N -2.15 1.90 -4.18 3.14 3.02 -1.26 -4.79 115.26 110.93 3gut n ASN 375 Ca 0.03 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.50 3gut n ASN 375 Cb 0.28 -0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 3gut n ASN 375 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gut s LYS 376 N -2.62 2.98 0.09 3.52 2.47 -1.23 -5.06 119.74 119.89 3gut s LYS 376 Ca -0.34 -2.52 -0.29 0.00 -1.56 0.00 0.00 55.97 51.25 3gut s LYS 376 Cb 0.11 -4.00 -0.05 0.00 -1.46 0.00 0.00 37.83 32.42 3gut s LYS 376 CO 0.45 -1.22 0.94 0.15 0.16 0.00 0.00 175.35 175.83 3gut s LYS 377 N -0.01 4.65 0.41 4.03 1.02 -1.14 -0.55 119.74 128.15 3gut s LYS 377 Ca 0.18 1.39 0.04 0.00 0.02 0.00 0.00 55.97 57.60 3gut s LYS 377 Cb -0.16 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 3gut s LYS 377 CO -0.06 0.19 0.05 -1.54 -0.92 0.00 0.00 175.35 173.08 3gut s SER 378 N 0.12 3.21 0.19 2.83 1.04 -1.26 -4.89 113.70 114.94 3gut s SER 378 Ca 0.46 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 3gut s SER 378 Cb -0.23 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 3gut s SER 378 CO 0.29 -0.71 0.19 -0.31 0.98 0.00 0.00 173.24 173.68 3gut s TYR 379 N -3.05 0.91 0.47 5.02 2.02 -1.26 -1.72 117.35 119.73 3gut s TYR 379 Ca 0.26 -1.19 -0.23 0.00 -0.37 0.00 0.00 57.07 55.54 3gut s TYR 379 Cb 0.06 -0.38 -0.09 0.00 -0.40 0.00 0.00 41.96 41.15 3gut s TYR 379 CO 0.13 -0.68 1.05 -2.30 -1.57 0.00 0.00 175.55 172.17 3gut n PRO 380 N -0.25 1.34 -3.67 -1.71 -0.02 -1.26 -4.60 135.00 124.82 3gut n PRO 380 Ca -0.01 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3gut n PRO 380 Cb 0.65 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 3gut n PRO 380 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3gut s GLN 381 N -2.26 0.58 0.26 -0.52 0.74 -0.96 -1.78 119.66 115.73 3gut s GLN 381 Ca 0.66 0.93 0.07 0.00 0.05 0.00 0.00 55.36 57.07 3gut s GLN 381 Cb -0.51 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 33.69 3gut s GLN 381 CO 0.54 -0.13 -0.07 0.14 -0.55 0.00 0.00 175.29 175.22 3gut s VAL 382 N 1.10 1.61 -0.06 1.34 -7.23 -0.09 0.99 120.40 118.06 3gut s VAL 382 Ca -0.06 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 57.93 3gut s VAL 382 Cb -0.06 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.54 3gut s VAL 382 CO -0.10 -0.36 0.15 -0.75 -0.31 0.00 0.00 175.10 173.72 3gut s LYS 383 N -3.72 0.13 -0.35 4.82 2.20 -0.33 -0.24 119.74 122.25 3gut s LYS 383 Ca 0.28 0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.93 3gut s LYS 383 Cb 0.03 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.32 3gut s LYS 383 CO 0.11 -0.09 0.84 0.42 -0.36 0.00 0.00 175.35 176.27 3gut s ILE 384 N 0.57 4.69 0.17 5.43 1.01 -0.19 -2.61 121.20 130.27 3gut s ILE 384 Ca -0.04 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.70 3gut s ILE 384 Cb -0.06 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3gut s ILE 384 CO -0.03 -0.43 0.32 0.00 0.00 0.00 0.00 174.94 174.80 3gut n ASN 386 N -0.67 -5.96 -3.65 0.00 3.02 -1.26 -3.57 115.26 103.17 3gut n ASN 386 Ca -0.07 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3gut n ASN 386 Cb 0.54 -4.73 -0.07 0.00 -0.61 0.00 0.00 39.78 34.92 3gut n ASN 386 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gut s TYR 387 N -3.28 -0.00 -0.06 3.10 5.04 -1.26 -4.49 117.35 116.39 3gut s TYR 387 Ca 0.56 0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 55.17 3gut s TYR 387 Cb -0.25 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.34 3gut s TYR 387 CO 0.69 -0.00 0.04 0.08 -1.34 0.00 0.00 175.55 175.02 3gut s VAL 388 N 0.49 0.05 -4.55 3.14 1.01 -1.26 -4.93 120.40 114.35 3gut s VAL 388 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3gut s VAL 388 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3gut s VAL 388 CO -0.13 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3gut n GLY 389 N 5.25 -2.08 3.45 4.51 0.00 -1.02 -4.98 105.19 110.33 3gut n GLY 389 Ca -0.05 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3gut n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gut n PRO 390 N -0.45 0.17 -3.57 1.61 -0.02 -1.26 -4.39 135.00 127.08 3gut n PRO 390 Ca 0.00 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 3gut n PRO 390 Cb 0.00 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 3gut n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gut s ALA 391 N -2.02 -1.93 -0.10 3.55 0.00 -1.18 -4.56 121.76 115.52 3gut s ALA 391 Ca 0.63 1.49 0.03 0.00 0.00 0.00 0.00 51.96 54.12 3gut s ALA 391 Cb -0.32 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3gut s ALA 391 CO 0.60 -0.40 -0.21 0.21 0.00 0.00 0.00 175.76 175.97 3gut s LYS 392 N -1.58 2.74 -0.07 0.00 2.20 -0.37 0.02 119.74 122.68 3gut s LYS 392 Ca 0.01 -0.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 3gut s LYS 392 Cb -0.01 -2.13 0.01 0.00 -1.51 0.00 0.00 37.83 34.19 3gut s LYS 392 CO -0.01 0.10 -0.16 0.08 -0.36 0.00 0.00 175.35 175.00 3gut s VAL 393 N 0.52 1.43 0.11 4.02 1.01 -0.25 0.42 120.40 127.65 3gut s VAL 393 Ca -0.15 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.27 3gut s VAL 393 Cb -0.17 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3gut s VAL 393 CO 0.06 0.42 -0.25 0.27 0.00 0.00 0.00 175.10 175.59 3gut s ILE 394 N 0.51 2.36 -0.12 2.22 -4.36 -0.23 -1.63 121.20 119.95 3gut s ILE 394 Ca -0.15 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 3gut s ILE 394 Cb -0.16 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.54 3gut s ILE 394 CO 0.05 0.15 -0.16 -0.69 0.24 0.00 0.00 174.94 174.53 3gut s VAL 395 N -1.03 1.63 0.11 8.37 1.01 0.27 -1.86 120.40 128.91 3gut s VAL 395 Ca 0.14 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.48 3gut s VAL 395 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3gut s VAL 395 CO 0.06 0.47 -0.16 -1.10 0.00 0.00 0.00 175.10 174.37 3gut s GLN 396 N 1.06 1.03 0.21 2.72 -0.21 -0.97 -1.62 119.66 121.87 3gut s GLN 396 Ca -0.04 -1.18 -0.14 0.00 0.02 0.00 0.00 55.36 54.01 3gut s GLN 396 Cb -0.15 -1.04 -0.08 0.00 1.00 0.00 0.00 33.01 32.75 3gut s GLN 396 CO -0.04 0.22 0.61 -0.51 -2.12 0.00 0.00 175.29 173.45 3gut s LEU 397 N -2.22 4.26 0.13 2.90 1.43 -1.26 -1.04 118.68 122.88 3gut s LEU 397 Ca 0.07 1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3gut s LEU 397 Cb -0.07 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3gut s LEU 397 CO 0.04 0.00 0.04 0.68 0.23 0.00 0.00 176.35 177.33 3gut s VAL 398 N -1.64 0.19 0.88 -1.59 -7.23 0.72 -2.88 120.40 108.86 3gut s VAL 398 Ca 0.43 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 3gut s VAL 398 Cb -0.14 -1.99 0.12 0.00 0.56 0.00 0.00 36.38 34.94 3gut s VAL 398 CO 0.20 -0.54 1.11 0.42 -0.31 0.00 0.00 175.10 175.98 3gut s THR 399 N -3.98 2.50 -0.38 5.32 -4.23 0.89 -1.91 115.64 113.85 3gut s THR 399 Ca 0.22 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 3gut s THR 399 Cb 0.07 -2.84 0.48 0.00 1.34 0.00 0.00 72.50 71.56 3gut s THR 399 CO 0.01 -0.21 1.50 -3.20 -0.54 0.00 0.00 174.62 172.17 3gut n ASN 400 N -3.71 4.46 -1.46 3.99 5.15 -1.26 -4.61 115.26 117.82 3gut n ASN 400 Ca 0.07 -3.78 0.00 0.00 -0.60 0.00 0.00 54.58 50.27 3gut n ASN 400 Cb 0.57 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 3gut n ASN 400 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gut n GLY 401 N -0.94 1.24 0.21 8.20 0.00 -1.26 -5.02 105.19 107.63 3gut n GLY 401 Ca 0.44 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 3gut n GLY 401 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gut h LYS 402 N 0.00 0.76 -4.71 1.61 -0.00 -2.02 -3.41 116.57 108.80 3gut h LYS 402 Ca 0.00 -0.68 -0.69 0.00 -0.00 0.00 0.00 60.65 59.28 3gut h LYS 402 Cb 0.00 0.16 -0.23 0.00 -0.00 0.00 0.00 32.23 32.16 3gut h LYS 402 CO 0.00 1.28 -0.54 -0.80 -0.00 0.00 0.00 179.45 179.39 3gut s ASN 403 N -7.17 5.63 0.24 7.07 -0.87 -1.26 -5.06 114.94 113.52 3gut s ASN 403 Ca -0.10 -0.69 -0.31 0.00 -1.57 0.00 0.00 52.86 50.20 3gut s ASN 403 Cb 0.08 -2.01 -0.11 0.00 -0.02 0.00 0.00 41.25 39.19 3gut s ASN 403 CO 0.91 -0.26 1.58 -0.63 -2.57 0.00 0.00 177.10 176.13 3gut s ILE 404 N 1.60 2.29 0.17 0.60 -1.09 -1.26 -4.93 121.20 118.58 3gut s ILE 404 Ca 0.04 0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3gut s ILE 404 Cb -0.18 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 3gut s ILE 404 CO 0.07 0.03 0.07 -1.00 -1.23 0.00 0.00 174.94 172.88 3gut s HIS 405 N 0.44 1.10 0.47 3.97 3.76 -1.26 -4.50 115.29 119.27 3gut s HIS 405 Ca 0.66 -1.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.11 3gut s HIS 405 Cb -0.46 -0.60 -0.07 0.00 1.11 0.00 0.00 32.58 32.56 3gut s HIS 405 CO 0.41 -0.47 1.17 -0.51 -0.85 0.00 0.00 174.74 174.49 3gut s LEU 406 N -3.14 3.99 -0.09 0.89 1.43 -1.21 -0.08 118.68 120.47 3gut s LEU 406 Ca 0.30 2.32 -0.01 0.00 -1.03 0.00 0.00 54.13 55.71 3gut s LEU 406 Cb 0.07 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 3gut s LEU 406 CO 0.07 -0.97 -0.04 -2.28 0.23 0.00 0.00 176.35 173.36 3gut s HIS 407 N -1.55 3.03 0.53 0.29 5.65 -1.14 -4.52 115.29 117.59 3gut s HIS 407 Ca 0.64 0.02 0.37 0.00 0.25 0.00 0.00 55.06 56.35 3gut s HIS 407 Cb -0.29 -1.79 1.99 0.00 -1.18 0.00 0.00 32.58 31.32 3gut s HIS 407 CO 0.35 0.31 2.25 0.00 -0.65 0.00 0.00 174.74 176.99 3gut h ALA 408 N 5.51 1.16 -2.32 1.58 0.00 -1.91 -3.44 119.26 119.85 3gut h ALA 408 Ca -0.46 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 53.94 3gut h ALA 408 Cb 1.18 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.03 3gut h ALA 408 CO 0.55 0.03 0.38 -1.01 0.00 0.00 0.00 179.25 179.20 3gut s HIS 409 N -4.19 3.13 -0.05 0.00 3.76 -1.26 -4.72 115.29 111.95 3gut s HIS 409 Ca -0.04 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.39 3gut s HIS 409 Cb 0.13 -2.93 -0.00 0.00 1.11 0.00 0.00 32.58 30.89 3gut s HIS 409 CO 0.49 -0.98 -0.17 -1.12 -0.85 0.00 0.00 174.74 172.11 3gut s SER 410 N -3.10 2.19 -0.29 1.40 0.01 -1.00 -4.77 113.70 108.14 3gut s SER 410 Ca 0.61 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 3gut s SER 410 Cb -0.14 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 3gut s SER 410 CO 0.40 0.14 1.45 -0.22 0.41 0.00 0.00 173.24 175.42 3gut s LEU 411 N 0.14 3.82 0.30 2.44 2.96 -1.22 -1.38 118.68 125.75 3gut s LEU 411 Ca -0.06 1.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.25 3gut s LEU 411 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 3gut s LEU 411 CO 0.03 -1.23 -0.04 0.54 -1.32 0.00 0.00 176.35 174.33 3gut s VAL 412 N 4.94 2.87 0.00 1.68 0.11 -0.75 -4.13 120.40 125.12 3gut s VAL 412 Ca 0.63 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.63 3gut s VAL 412 Cb -0.19 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 3gut s VAL 412 CO 0.27 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 3gut n GLY 413 N -0.86 0.37 3.66 6.54 0.00 -1.26 -0.94 105.19 112.70 3gut n GLY 413 Ca -0.05 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3gut n GLY 413 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gut s LYS 414 N 0.00 4.14 -1.80 1.61 2.20 -1.19 -2.53 119.74 122.17 3gut s LYS 414 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3gut s LYS 414 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 3gut s LYS 414 CO 0.00 -0.94 0.00 0.72 -0.36 0.00 0.00 175.35 174.77 3gut n HIS 415 N 7.26 -0.39 -4.09 4.03 8.25 -1.26 -4.86 115.22 124.15 3gut n HIS 415 Ca 0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.32 3gut n HIS 415 Cb 0.41 -3.22 -0.07 0.00 1.12 0.00 0.00 29.99 28.22 3gut n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gut s GLU 417 N -1.66 0.67 -1.51 0.00 2.12 -0.61 -4.71 118.70 113.00 3gut s GLU 417 Ca 0.22 1.04 -0.13 0.00 0.36 0.00 0.00 54.97 56.46 3gut s GLU 417 Cb -0.12 0.19 0.08 0.00 0.26 0.00 0.00 34.13 34.54 3gut s GLU 417 CO 0.13 -0.13 0.87 -0.25 -0.54 0.00 0.00 175.26 175.34 3gut n ASP 418 N 3.76 -4.66 -0.25 -1.70 8.00 -1.26 -0.33 116.55 120.12 3gut n ASP 418 Ca -0.18 -0.70 -0.03 0.00 0.71 0.00 0.00 54.79 54.59 3gut n ASP 418 Cb 0.57 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.92 3gut n ASP 418 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gut n GLY 419 N -1.58 0.56 3.05 0.44 0.00 -1.26 -4.95 105.19 101.46 3gut n GLY 419 Ca 0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3gut n GLY 419 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gut s VAL 420 N -1.83 1.45 -0.23 1.61 1.01 0.55 -3.39 120.40 119.57 3gut s VAL 420 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3gut s VAL 420 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3gut s VAL 420 CO 0.00 0.43 0.61 0.00 0.00 0.00 0.00 175.10 176.14 3gut s THR 422 N 2.16 0.82 0.17 0.00 2.01 -0.85 0.95 115.64 120.89 3gut s THR 422 Ca 0.26 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.11 3gut s THR 422 Cb -0.16 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3gut s THR 422 CO 0.09 0.32 -0.02 0.68 -0.69 0.00 0.00 174.62 175.00 3gut s VAL 423 N 1.59 0.82 -0.02 3.82 -7.23 -0.65 -4.82 120.40 113.91 3gut s VAL 423 Ca 0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3gut s VAL 423 Cb -0.13 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3gut s VAL 423 CO -0.05 -0.55 -0.01 0.42 -0.31 0.00 0.00 175.10 174.60 3gut s THR 424 N -3.56 4.11 -0.55 5.32 -4.23 -1.26 -1.09 115.64 114.37 3gut s THR 424 Ca 0.22 -0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 59.98 3gut s THR 424 Cb 0.05 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 71.16 3gut s THR 424 CO 0.03 0.43 0.73 0.00 -0.54 0.00 0.00 174.62 175.27 3gut s ALA 425 N -1.03 3.33 0.34 3.99 0.00 0.10 -4.94 121.76 123.57 3gut s ALA 425 Ca 0.18 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3gut s ALA 425 Cb -0.11 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 3gut s ALA 425 CO 0.08 -2.24 -0.16 0.41 0.00 0.00 0.00 175.76 173.86 3gut n GLY 426 N 5.21 -1.99 0.29 0.00 0.00 -1.21 -3.13 105.19 104.37 3gut n GLY 426 Ca -0.06 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3gut n GLY 426 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gut h PRO 427 N -0.13 0.00 0.00 1.61 0.13 -1.95 -3.33 132.00 128.34 3gut h PRO 427 Ca -0.23 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.72 3gut h PRO 427 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 3gut h PRO 427 CO 0.21 0.06 -1.47 1.63 -0.23 0.00 0.00 178.00 178.20 3gut n LYS 428 N -3.57 0.40 -2.70 0.86 4.76 -1.26 -2.42 118.16 114.24 3gut n LYS 428 Ca -0.02 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.16 3gut n LYS 428 Cb 0.17 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 3gut n LYS 428 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3gut s ASP 429 N -6.40 6.93 -0.23 4.39 -1.08 -1.25 -4.83 116.67 114.20 3gut s ASP 429 Ca -0.25 1.08 0.13 0.00 -0.52 0.00 0.00 52.55 52.99 3gut s ASP 429 Cb 0.07 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.80 3gut s ASP 429 CO 0.33 -0.78 1.70 0.23 0.52 0.00 0.00 175.17 177.17 3gut n MET 430 N 6.61 4.75 -4.48 4.34 2.81 -1.26 -3.31 117.12 126.57 3gut n MET 430 Ca 0.11 -3.02 -0.34 0.00 -1.81 0.00 0.00 57.70 52.64 3gut n MET 430 Cb 0.47 -2.24 -0.14 0.00 -0.71 0.00 0.00 33.22 30.60 3gut n MET 430 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gut s VAL 431 N -2.69 3.30 -0.01 2.03 1.01 -1.26 -1.03 120.40 121.76 3gut s VAL 431 Ca 0.52 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3gut s VAL 431 Cb 0.40 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3gut s VAL 431 CO 0.15 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 174.81 3gut s VAL 432 N 0.62 1.92 0.35 2.92 1.01 0.66 -4.94 120.40 122.94 3gut s VAL 432 Ca -0.05 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 60.92 3gut s VAL 432 Cb -0.15 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3gut s VAL 432 CO 0.03 0.49 0.06 -0.83 0.00 0.00 0.00 175.10 174.85 3gut s GLY 433 N -0.70 2.08 -0.44 4.51 0.00 -1.26 -0.91 107.32 110.58 3gut s GLY 433 Ca 0.10 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 42.89 3gut s GLY 433 CO -0.00 -1.88 0.34 -1.36 0.00 0.00 0.00 173.10 170.20 3gut s PHE 434 N -2.51 1.43 0.51 1.90 0.08 -0.73 -4.99 117.98 113.67 3gut s PHE 434 Ca 0.36 -2.38 0.01 0.00 0.12 0.00 0.00 56.93 55.04 3gut s PHE 434 Cb 0.00 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 3gut s PHE 434 CO 0.20 -0.79 0.74 0.00 -0.10 0.00 0.00 175.22 175.27 3gut s ALA 435 N -0.00 3.83 -1.31 5.36 0.00 -1.26 -4.30 121.76 124.08 3gut s ALA 435 Ca 0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 3gut s ALA 435 Cb -0.02 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 3gut s ALA 435 CO -0.16 -0.60 0.61 -1.71 0.00 0.00 0.00 175.76 173.90 3gut n ASN 436 N -2.24 -1.74 -4.52 0.00 4.05 -1.26 -4.65 115.26 104.89 3gut n ASN 436 Ca 0.05 -0.93 -0.34 0.00 0.45 0.00 0.00 54.58 53.82 3gut n ASN 436 Cb 0.59 -3.56 -0.12 0.00 1.23 0.00 0.00 39.78 37.92 3gut n ASN 436 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3gut s LEU 437 N -6.72 3.33 0.31 1.20 2.96 -1.26 -3.14 118.68 115.37 3gut s LEU 437 Ca 0.10 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3gut s LEU 437 Cb -0.03 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3gut s LEU 437 CO 0.85 0.17 0.01 -0.83 -1.32 0.00 0.00 176.35 175.23 3gut s GLY 438 N 0.39 1.88 -0.28 7.98 0.00 -0.11 -0.71 107.32 116.47 3gut s GLY 438 Ca -0.03 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 42.90 3gut s GLY 438 CO 0.02 -1.82 -0.05 -0.42 0.00 0.00 0.00 173.10 170.84 3gut s ILE 439 N -2.43 2.09 -0.24 0.90 -1.09 -1.26 -1.82 121.20 117.35 3gut s ILE 439 Ca 0.34 -1.80 -0.28 0.00 -2.23 0.00 0.00 60.65 56.68 3gut s ILE 439 Cb -0.03 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3gut s ILE 439 CO 0.20 -0.23 0.98 -0.22 -1.23 0.00 0.00 174.94 174.43 3gut s LEU 440 N 1.09 4.09 -0.44 2.97 2.96 -0.48 -0.56 118.68 128.31 3gut s LEU 440 Ca -0.02 1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 54.96 3gut s LEU 440 Cb -0.19 -3.43 0.03 0.00 0.50 0.00 0.00 46.19 43.09 3gut s LEU 440 CO -0.07 -0.63 0.56 -2.28 -1.32 0.00 0.00 176.35 172.61 3gut s HIS 441 N 3.11 3.10 0.40 5.38 5.65 0.15 -2.39 115.29 130.70 3gut s HIS 441 Ca 0.41 -0.26 -0.25 0.00 0.25 0.00 0.00 55.06 55.21 3gut s HIS 441 Cb -0.15 -3.21 -0.08 0.00 -1.18 0.00 0.00 32.58 27.96 3gut s HIS 441 CO 0.07 -0.83 1.13 0.14 -0.65 0.00 0.00 174.74 174.59 3gut s VAL 442 N 2.53 3.34 0.83 0.89 -7.23 -1.26 -4.25 120.40 115.24 3gut s VAL 442 Ca 0.17 1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 61.32 3gut s VAL 442 Cb -0.16 -3.59 0.09 0.00 0.56 0.00 0.00 36.38 33.28 3gut s VAL 442 CO 0.16 0.07 1.10 0.42 -0.31 0.00 0.00 175.10 176.54 3gut s THR 443 N -1.49 2.95 0.11 5.32 -4.23 -1.26 -4.88 115.64 112.15 3gut s THR 443 Ca 0.57 0.31 -0.24 0.00 -1.18 0.00 0.00 61.69 61.15 3gut s THR 443 Cb -0.28 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 3gut s THR 443 CO 0.35 -0.40 1.69 0.50 -0.54 0.00 0.00 174.62 176.22 3gut h LYS 444 N -1.38 -0.19 -0.02 3.99 3.64 -2.02 -2.63 116.57 117.97 3gut h LYS 444 Ca -0.45 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3gut h LYS 444 Cb 1.25 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3gut h LYS 444 CO 0.50 -0.12 0.02 0.87 -2.27 0.00 0.00 179.45 178.45 3gut h LYS 445 N -0.19 0.00 -0.65 1.90 1.57 -2.05 -2.57 116.57 114.58 3gut h LYS 445 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gut h LYS 445 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3gut h LYS 445 CO -0.10 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.41 3gut n LYS 446 N -3.80 3.04 0.15 3.15 5.02 -1.01 -4.63 118.16 120.07 3gut n LYS 446 Ca -0.03 -2.66 -0.14 0.00 -2.02 0.00 0.00 58.31 53.47 3gut n LYS 446 Cb 0.11 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 3gut n LYS 446 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gut h VAL 447 N 3.90 0.80 0.62 -0.18 2.07 -1.28 -2.43 116.25 119.75 3gut h VAL 447 Ca 0.00 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3gut h VAL 447 Cb 1.10 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3gut h VAL 447 CO 0.07 0.06 -0.30 0.15 0.02 0.00 0.00 177.57 177.57 3gut h PHE 448 N -0.45 -0.77 -0.99 1.57 3.04 -1.82 -0.65 116.94 116.86 3gut h PHE 448 Ca -0.03 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.04 3gut h PHE 448 Cb 0.34 0.25 -0.09 0.00 2.56 0.00 0.00 35.95 39.02 3gut h PHE 448 CO -0.02 -0.48 0.62 1.05 -2.02 0.00 0.00 178.31 177.46 3gut h GLU 449 N -0.83 0.87 -0.06 1.11 4.11 -1.88 0.58 114.58 118.48 3gut h GLU 449 Ca -0.08 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 3gut h GLU 449 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3gut h GLU 449 CO 0.14 0.57 -0.48 1.15 0.07 0.00 0.00 179.01 180.46 3gut h THR 450 N 0.89 1.34 -0.14 -1.06 2.02 -1.42 -2.12 112.91 112.41 3gut h THR 450 Ca 0.52 -1.67 -0.15 0.00 0.77 0.00 0.00 66.41 65.88 3gut h THR 450 Cb 0.65 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3gut h THR 450 CO -0.29 0.49 -0.54 0.25 0.37 0.00 0.00 175.52 175.79 3gut h LEU 451 N 0.12 0.46 -0.11 2.58 7.12 0.68 -2.48 115.31 123.68 3gut h LEU 451 Ca 0.00 -0.24 -0.03 0.00 0.13 0.00 0.00 57.88 57.74 3gut h LEU 451 Cb 0.89 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.89 3gut h LEU 451 CO 0.07 0.91 -0.05 -0.08 -0.13 0.00 0.00 178.44 179.16 3gut h GLU 452 N 0.32 0.22 -0.04 1.25 4.81 -1.02 -2.67 114.58 117.46 3gut h GLU 452 Ca 0.01 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gut h GLU 452 Cb 1.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3gut h GLU 452 CO 0.09 0.56 -0.03 0.00 -0.73 0.00 0.00 179.01 178.91 3gut h ALA 453 N 0.65 1.88 0.17 2.92 0.00 -1.31 -2.59 119.26 120.99 3gut h ALA 453 Ca 0.02 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 3gut h ALA 453 Cb 0.49 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gut h ALA 453 CO 0.01 0.09 -1.33 0.00 0.00 0.00 0.00 179.25 178.03 3gut h ARG 454 N 0.05 0.46 0.00 0.00 2.47 -1.37 -2.85 114.38 113.14 3gut h ARG 454 Ca 0.01 -0.73 -0.08 0.00 -1.26 0.00 0.00 59.98 57.92 3gut h ARG 454 Cb 0.09 0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3gut h ARG 454 CO 0.00 1.34 -0.40 0.52 0.56 0.00 0.00 179.97 181.99 3gut h MET 455 N 0.15 0.00 0.07 0.04 2.86 -1.30 -0.77 114.93 115.98 3gut h MET 455 Ca -0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3gut h MET 455 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 3gut h MET 455 CO 0.24 0.40 -0.04 1.15 1.06 0.00 0.00 176.91 179.73 3gut h THR 456 N 0.00 1.21 -0.32 2.22 2.02 -1.53 -0.44 112.91 116.07 3gut h THR 456 Ca -0.00 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 65.99 3gut h THR 456 Cb 0.79 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3gut h THR 456 CO 0.05 0.29 0.22 -0.33 0.37 0.00 0.00 175.52 176.12 3gut h GLU 457 N -0.68 0.25 0.00 6.66 5.08 -1.43 0.13 114.58 124.59 3gut h GLU 457 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3gut h GLU 457 Cb 0.56 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3gut h GLU 457 CO 0.02 0.16 -0.61 0.00 -1.00 0.00 0.00 179.01 177.58 3gut h ALA 458 N 1.82 0.69 0.00 3.43 0.00 -1.05 -2.88 119.26 121.28 3gut h ALA 458 Ca 0.14 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3gut h ALA 458 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gut h ALA 458 CO -0.03 0.77 -1.11 0.00 0.00 0.00 0.00 179.25 178.88 3gut h ILE 460 N 0.00 1.51 0.00 0.00 2.04 -0.86 -3.27 117.51 116.93 3gut h ILE 460 Ca -0.07 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 63.83 3gut h ILE 460 Cb 1.29 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 3gut h ILE 460 CO 0.03 0.53 -0.23 0.03 0.00 0.00 0.00 178.15 178.51 3gut h ARG 461 N -0.40 0.00 0.00 2.37 2.47 -1.67 -3.35 114.38 113.81 3gut h ARG 461 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3gut h ARG 461 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3gut h ARG 461 CO 0.06 0.23 0.00 0.41 0.56 0.00 0.00 179.97 181.23 3gut n GLY 462 N 0.92 0.78 3.57 0.04 0.00 -1.07 -3.91 105.19 105.51 3gut n GLY 462 Ca 0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3gut n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gut s TYR 463 N -2.00 2.51 -1.57 1.61 2.02 -0.28 -3.42 117.35 116.22 3gut s TYR 463 Ca 0.00 -0.88 -0.14 0.00 -0.37 0.00 0.00 57.07 55.68 3gut s TYR 463 Cb 0.00 -4.61 0.10 0.00 -0.40 0.00 0.00 41.96 37.05 3gut s TYR 463 CO 0.00 -1.83 0.92 0.09 -1.57 0.00 0.00 175.55 173.16 3gut n ASN 464 N 9.56 -4.29 -0.35 2.29 4.13 -1.26 -4.83 115.26 120.50 3gut n ASN 464 Ca 0.40 -0.84 0.11 0.00 1.68 0.00 0.00 54.58 55.93 3gut n ASN 464 Cb 0.49 -3.61 0.30 0.00 -1.54 0.00 0.00 39.78 35.42 3gut n ASN 464 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3gut h PRO 465 N -1.94 0.76 -0.42 3.52 0.11 -1.76 -2.69 132.00 129.57 3gut h PRO 465 Ca -0.58 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.45 3gut h PRO 465 Cb 1.38 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3gut h PRO 465 CO 0.70 0.50 0.17 0.78 -0.21 0.00 0.00 178.00 179.93 3gut h GLY 466 N 0.78 0.68 0.93 -0.55 0.00 -1.74 -1.21 103.07 101.95 3gut h GLY 466 Ca 0.56 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3gut h GLY 466 CO -0.37 0.35 -0.45 1.41 0.00 0.00 0.00 176.54 177.49 3gut h LEU 467 N 0.54 0.68 0.04 3.11 4.07 -1.76 -3.22 115.31 118.77 3gut h LEU 467 Ca 0.14 -0.58 -0.35 0.00 0.08 0.00 0.00 57.88 57.17 3gut h LEU 467 Cb 0.19 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3gut h LEU 467 CO -0.01 1.14 -2.07 0.18 -1.08 0.00 0.00 178.44 176.60 3gut n LEU 468 N -4.23 1.55 -0.07 1.67 4.77 -1.05 -4.74 117.00 114.90 3gut n LEU 468 Ca -0.07 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3gut n LEU 468 Cb 0.57 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3gut n LEU 468 CO 0.46 0.64 -0.43 0.52 -1.33 0.00 0.00 177.39 177.25 3gut n VAL 469 N -3.14 1.43 -3.64 4.08 0.31 -0.48 -3.31 118.33 113.59 3gut n VAL 469 Ca -0.30 0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3gut n VAL 469 Cb 1.06 -2.38 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 3gut n VAL 469 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3gut s HIS 470 N -2.40 -0.83 0.17 3.52 2.46 -1.10 -4.88 115.29 112.24 3gut s HIS 470 Ca -0.18 1.82 -0.20 0.00 0.47 0.00 0.00 55.06 56.97 3gut s HIS 470 Cb 0.03 0.42 0.08 0.00 -0.13 0.00 0.00 32.58 32.98 3gut s HIS 470 CO 0.27 -0.40 1.30 0.43 -2.47 0.00 0.00 174.74 173.86 3gut n SER 471 N 3.32 -0.71 -1.62 9.88 7.64 -1.21 -1.11 113.62 129.81 3gut n SER 471 Ca -0.16 1.48 -0.08 0.00 1.01 0.00 0.00 58.87 61.11 3gut n SER 471 Cb 0.57 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.53 3gut n SER 471 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gut n ASP 472 N -5.15 5.29 0.00 6.43 5.68 -1.26 -3.22 116.55 124.32 3gut n ASP 472 Ca 0.05 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 3gut n ASP 472 Cb 0.28 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.29 3gut n ASP 472 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3gut n LEU 473 N 0.69 0.90 0.02 -2.12 7.94 -0.27 -4.72 117.00 119.43 3gut n LEU 473 Ca 0.16 -0.90 0.04 0.00 -1.11 0.00 0.00 56.01 54.20 3gut n LEU 473 Cb 0.60 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.72 3gut n LEU 473 CO 0.19 0.22 0.62 0.00 -1.11 0.00 0.00 177.39 177.31 3gut n ALA 474 N -0.13 1.27 0.82 1.96 0.00 -1.20 -2.07 120.51 121.17 3gut n ALA 474 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gut n ALA 474 Cb 0.19 -1.12 0.52 0.00 0.00 0.00 0.00 19.45 19.04 3gut n ALA 474 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3gut n TYR 475 N -1.58 0.04 -3.17 0.00 0.18 -1.26 -4.32 117.16 107.06 3gut n TYR 475 Ca 0.01 0.01 -0.45 0.00 1.88 0.00 0.00 57.90 59.36 3gut n TYR 475 Cb 0.07 -0.52 -0.01 0.00 -0.38 0.00 0.00 39.34 38.50 3gut n TYR 475 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3gut s LEU 476 N -3.07 5.87 -0.14 -3.48 1.43 -0.88 -5.01 118.68 113.41 3gut s LEU 476 Ca 0.12 -3.03 -0.03 0.00 -1.03 0.00 0.00 54.13 50.15 3gut s LEU 476 Cb 0.16 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3gut s LEU 476 CO 0.45 -0.58 -0.02 -1.10 0.23 0.00 0.00 176.35 175.32 3gut s GLN 477 N 0.39 3.51 -0.18 1.70 -1.52 -1.26 -4.49 119.66 117.81 3gut s GLN 477 Ca 0.32 -0.48 -0.07 0.00 -1.95 0.00 0.00 55.36 53.18 3gut s GLN 477 Cb -0.07 -2.90 -0.07 0.00 -0.22 0.00 0.00 33.01 29.75 3gut s GLN 477 CO -0.06 0.36 1.10 0.00 -0.25 0.00 0.00 175.29 176.44 3gut n ALA 478 N 3.17 0.34 -2.29 6.09 0.00 -1.22 -3.74 120.51 122.87 3gut n ALA 478 Ca -0.18 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.64 3gut n ALA 478 Cb 0.53 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3gut n ALA 478 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gut n GLU 479 N 5.13 4.66 -1.23 0.00 -0.58 -1.26 -4.49 120.64 122.87 3gut n GLU 479 Ca 0.11 -3.87 -0.08 0.00 -0.42 0.00 0.00 57.16 52.90 3gut n GLU 479 Cb 0.42 -2.62 -0.03 0.00 -0.57 0.00 0.00 31.44 28.63 3gut n GLU 479 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gut n GLY 480 N 1.40 0.91 0.00 0.62 0.00 -1.26 -4.23 105.19 102.63 3gut n GLY 480 Ca 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3gut n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 481 N -0.94 0.17 3.55 -0.02 0.00 -1.26 -5.05 105.19 101.64 3gut n GLY 481 Ca -0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 3gut n GLY 481 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 482 N 0.00 -0.14 2.69 -0.02 0.00 -1.24 -3.00 105.19 103.47 3gut n GLY 482 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 3gut n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gut n ASP 483 N 17.17 -6.59 0.04 1.61 9.92 -1.26 -4.36 116.55 133.08 3gut n ASP 483 Ca 0.48 0.04 0.04 0.00 -0.53 0.00 0.00 54.79 54.82 3gut n ASP 483 Cb 0.42 -4.41 0.19 0.00 -0.64 0.00 0.00 41.12 36.68 3gut n ASP 483 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3gut n ARG 484 N -1.35 0.04 -3.78 -1.24 0.63 -1.16 -4.24 116.66 105.56 3gut n ARG 484 Ca 0.02 0.50 -0.28 0.00 -0.92 0.00 0.00 57.85 57.17 3gut n ARG 484 Cb 0.47 -1.62 -0.16 0.00 0.45 0.00 0.00 32.46 31.60 3gut n ARG 484 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3gut s GLN 485 N -3.14 0.88 0.19 -0.14 -0.21 -1.26 -5.00 119.66 110.98 3gut s GLN 485 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 3gut s GLN 485 Cb 0.03 -2.23 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 3gut s GLN 485 CO 0.09 -0.64 1.28 -0.51 -2.12 0.00 0.00 175.29 173.39 3gut s LEU 486 N 1.74 4.42 0.00 2.90 1.02 -1.26 -5.04 118.68 122.47 3gut s LEU 486 Ca -0.02 2.34 -0.08 0.00 0.02 0.00 0.00 54.13 56.39 3gut s LEU 486 Cb -0.18 -3.61 0.12 0.00 0.02 0.00 0.00 46.19 42.54 3gut s LEU 486 CO -0.08 -0.49 0.48 0.35 0.02 0.00 0.00 176.35 176.64 3gut n THR 487 N 2.69 0.00 0.04 5.49 -2.24 -1.26 -4.89 114.28 114.11 3gut n THR 487 Ca 0.06 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 3gut n THR 487 Cb 0.43 -1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 3gut n THR 487 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3gut h ASP 488 N -1.42 0.00 1.52 3.42 5.19 -2.00 -3.03 116.42 120.10 3gut h ASP 488 Ca -0.17 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.16 3gut h ASP 488 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 3gut h ASP 488 CO 0.12 0.79 -0.38 -0.09 -3.12 0.00 0.00 179.24 176.56 3gut h ARG 489 N 0.00 0.00 0.01 3.56 1.12 -2.00 -3.12 114.38 113.95 3gut h ARG 489 Ca -0.13 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.47 3gut h ARG 489 Cb 1.72 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.70 3gut h ARG 489 CO 0.08 0.38 -1.06 0.93 -3.11 0.00 0.00 179.97 177.19 3gut h GLU 490 N 0.00 0.69 0.00 0.20 5.08 -1.94 -2.95 114.58 115.66 3gut h GLU 490 Ca -0.00 -0.76 -0.02 0.00 -1.00 0.00 0.00 59.36 57.58 3gut h GLU 490 Cb 1.24 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 3gut h GLU 490 CO 0.05 1.33 -0.09 0.87 -1.00 0.00 0.00 179.01 180.18 3gut h LYS 491 N 0.37 0.00 0.02 2.33 1.57 -1.50 -2.63 116.57 116.73 3gut h LYS 491 Ca -0.14 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.41 3gut h LYS 491 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 3gut h LYS 491 CO 0.21 0.09 -0.99 0.93 -0.57 0.00 0.00 179.45 179.11 3gut h GLU 492 N 0.00 0.39 -0.58 3.15 4.39 -1.50 -1.81 114.58 118.61 3gut h GLU 492 Ca -0.00 -0.45 -0.09 0.00 0.34 0.00 0.00 59.36 59.17 3gut h GLU 492 Cb 0.21 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3gut h GLU 492 CO 0.01 1.12 0.03 0.82 -1.16 0.00 0.00 179.01 179.84 3gut h ILE 493 N 0.20 1.26 -0.05 3.13 1.08 -1.31 -2.30 117.51 119.53 3gut h ILE 493 Ca -0.09 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.29 3gut h ILE 493 Cb 1.64 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3gut h ILE 493 CO 0.17 0.39 0.03 0.40 -0.69 0.00 0.00 178.15 178.45 3gut h ILE 494 N 0.90 1.06 0.00 -0.67 1.08 -1.44 -0.91 117.51 117.53 3gut h ILE 494 Ca 0.17 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3gut h ILE 494 Cb 0.51 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.34 3gut h ILE 494 CO 0.02 0.05 -0.05 0.03 -0.69 0.00 0.00 178.15 177.51 3gut h ARG 495 N 0.01 0.00 0.00 2.37 -0.00 -1.24 -0.69 114.38 114.83 3gut h ARG 495 Ca 0.02 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.29 3gut h ARG 495 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.99 3gut h ARG 495 CO -0.00 0.05 -1.39 1.96 0.00 0.00 0.00 179.97 180.59 3gut h GLN 496 N 0.00 0.00 0.22 0.04 4.20 -1.01 -3.24 115.11 115.32 3gut h GLN 496 Ca -0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 3gut h GLN 496 Cb 0.30 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.10 3gut h GLN 496 CO 0.01 0.45 -1.55 0.00 -0.67 0.00 0.00 178.83 177.07 3gut h ALA 497 N 1.24 -0.04 0.40 3.87 0.00 -0.83 -3.04 119.26 120.87 3gut h ALA 497 Ca -0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.77 3gut h ALA 497 Cb 1.74 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3gut h ALA 497 CO 0.07 0.80 -0.38 0.00 0.00 0.00 0.00 179.25 179.73 3gut h ALA 498 N 0.12 -0.84 -0.70 0.00 0.00 -1.28 0.12 119.26 116.67 3gut h ALA 498 Ca -0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3gut h ALA 498 Cb 2.11 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 20.41 3gut h ALA 498 CO 0.23 -1.01 0.38 -0.24 0.00 0.00 0.00 179.25 178.61 3gut h VAL 499 N -0.80 1.21 -0.07 0.00 3.04 -1.72 -0.02 116.25 117.90 3gut h VAL 499 Ca -0.03 -0.54 -0.18 0.00 -1.01 0.00 0.00 66.70 64.94 3gut h VAL 499 Cb 0.71 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 3gut h VAL 499 CO -0.05 0.24 -0.71 -0.61 -1.01 0.00 0.00 177.57 175.42 3gut h GLN 500 N 0.98 0.35 0.00 4.17 5.75 -1.39 -3.23 115.11 121.75 3gut h GLN 500 Ca 0.25 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3gut h GLN 500 Cb 0.04 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3gut h GLN 500 CO -0.04 0.93 -0.37 1.96 -2.65 0.00 0.00 178.83 178.65 3gut h GLN 501 N 0.24 0.00 0.00 1.69 4.20 -0.43 -3.31 115.11 117.51 3gut h GLN 501 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3gut h GLN 501 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3gut h GLN 501 CO 0.12 0.14 -0.05 0.25 -0.67 0.00 0.00 178.83 178.62 3gut n THR 502 N -3.05 0.42 0.70 -0.54 -2.24 -0.05 -3.10 114.28 106.42 3gut n THR 502 Ca 0.02 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3gut n THR 502 Cb 0.60 -0.52 0.47 0.00 -2.10 0.00 0.00 70.33 68.79 3gut n THR 502 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3gut n LYS 503 N -2.04 0.15 -2.99 -0.78 2.85 -1.23 -4.18 118.16 109.93 3gut n LYS 503 Ca 0.06 0.18 -0.16 0.00 -1.05 0.00 0.00 58.31 57.34 3gut n LYS 503 Cb 0.41 -1.69 -0.01 0.00 -0.65 0.00 0.00 35.03 33.09 3gut n LYS 503 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gut n GLU 504 N -1.95 0.80 -4.87 -1.58 -0.58 -1.18 -5.10 120.64 106.18 3gut n GLU 504 Ca 0.05 -2.60 -0.32 0.00 -0.42 0.00 0.00 57.16 53.87 3gut n GLU 504 Cb 0.35 -1.34 -0.16 0.00 -0.57 0.00 0.00 31.44 29.71 3gut n GLU 504 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3gut s MET 505 N -0.54 3.09 -0.28 3.49 1.75 -1.25 -5.03 119.30 120.53 3gut s MET 505 Ca 0.33 -0.84 -0.20 0.00 -1.25 0.00 0.00 55.69 53.73 3gut s MET 505 Cb 0.22 -2.43 -0.01 0.00 2.84 0.00 0.00 34.83 35.46 3gut s MET 505 CO -0.15 0.08 0.64 0.34 -0.65 0.00 0.00 175.02 175.28 3gut s ASP 506 N 0.60 6.54 0.00 1.11 -1.08 -1.26 -4.92 116.67 117.66 3gut s ASP 506 Ca -0.12 0.56 0.21 0.00 -0.52 0.00 0.00 52.55 52.68 3gut s ASP 506 Cb -0.16 -2.34 0.95 0.00 -1.46 0.00 0.00 42.92 39.91 3gut s ASP 506 CO 0.03 -0.44 1.65 0.18 0.52 0.00 0.00 175.17 177.11 3gut n LEU 507 N 5.83 0.92 -0.86 -1.34 4.32 -1.26 -3.83 117.00 120.78 3gut n LEU 507 Ca -0.01 -0.38 0.06 0.00 -0.02 0.00 0.00 56.01 55.67 3gut n LEU 507 Cb 0.49 -0.05 0.23 0.00 -1.62 0.00 0.00 43.42 42.47 3gut n LEU 507 CO 0.45 0.19 0.69 -1.20 -1.22 0.00 0.00 177.39 176.30 3gut n SER 508 N -0.19 3.44 -3.54 -1.43 7.64 -1.26 -4.93 113.62 113.35 3gut n SER 508 Ca 0.16 -3.18 -0.17 0.00 1.01 0.00 0.00 58.87 56.69 3gut n SER 508 Cb 0.21 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 3gut n SER 508 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gut s VAL 509 N -2.92 0.00 0.26 0.44 1.01 -1.25 -2.59 120.40 115.36 3gut s VAL 509 Ca 0.42 -0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 3gut s VAL 509 Cb 0.35 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3gut s VAL 509 CO 0.06 -0.00 0.56 0.54 0.00 0.00 0.00 175.10 176.27 3gut s VAL 510 N -0.92 0.00 -0.03 2.92 0.11 0.18 -4.73 120.40 117.93 3gut s VAL 510 Ca -0.09 -1.28 -0.07 0.00 -2.93 0.00 0.00 61.98 57.61 3gut s VAL 510 Cb -0.01 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.67 3gut s VAL 510 CO 0.08 0.00 0.15 -0.13 -3.33 0.00 0.00 175.10 171.88 3gut s ARG 511 N -3.91 0.36 0.25 1.54 0.52 -0.80 0.74 118.95 117.67 3gut s ARG 511 Ca 0.19 -0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.23 3gut s ARG 511 Cb -0.02 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 3gut s ARG 511 CO 0.09 -0.08 0.50 -0.51 0.02 0.00 0.00 175.30 175.32 3gut s LEU 512 N -0.76 4.12 -0.04 2.53 1.43 -1.26 -0.20 118.68 124.50 3gut s LEU 512 Ca -0.08 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3gut s LEU 512 Cb -0.05 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3gut s LEU 512 CO 0.01 -0.13 0.07 -0.32 0.23 0.00 0.00 176.35 176.20 3gut s MET 513 N -3.39 -0.07 -0.06 1.70 1.75 -0.20 -0.73 119.30 118.29 3gut s MET 513 Ca 0.43 0.39 -0.04 0.00 -1.25 0.00 0.00 55.69 55.22 3gut s MET 513 Cb -0.11 -0.48 -0.04 0.00 2.84 0.00 0.00 34.83 37.04 3gut s MET 513 CO 0.29 -0.32 0.13 -0.06 -0.65 0.00 0.00 175.02 174.40 3gut s PHE 514 N 2.15 3.48 -0.01 4.11 0.40 0.15 -2.28 117.98 125.97 3gut s PHE 514 Ca 0.04 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.76 3gut s PHE 514 Cb -0.12 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.56 3gut s PHE 514 CO -0.03 0.65 -0.03 0.99 0.70 0.00 0.00 175.22 177.50 3gut s THR 515 N -1.14 0.28 -0.06 0.64 2.01 -0.78 -0.09 115.64 116.51 3gut s THR 515 Ca 0.20 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 3gut s THR 515 Cb -0.12 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3gut s THR 515 CO 0.10 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 173.95 3gut s ALA 516 N 0.22 2.47 -0.13 7.40 0.00 -1.26 -1.07 121.76 129.40 3gut s ALA 516 Ca -0.02 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3gut s ALA 516 Cb -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3gut s ALA 516 CO -0.00 0.48 -0.22 -0.06 0.00 0.00 0.00 175.76 175.96 3gut s PHE 517 N -0.45 2.64 0.00 0.00 0.08 0.17 -1.27 117.98 119.15 3gut s PHE 517 Ca 0.05 -1.22 -0.00 0.00 0.12 0.00 0.00 56.93 55.88 3gut s PHE 517 Cb -0.12 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3gut s PHE 517 CO 0.02 -0.53 0.08 -0.51 -0.10 0.00 0.00 175.22 174.17 3gut s LEU 518 N 0.65 3.89 0.35 -0.37 1.43 0.27 -1.24 118.68 123.65 3gut s LEU 518 Ca -0.11 0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 3gut s LEU 518 Cb -0.16 -2.29 -0.12 0.00 0.03 0.00 0.00 46.19 43.65 3gut s LEU 518 CO 0.02 0.26 1.45 -0.81 0.23 0.00 0.00 176.35 177.51 3gut n PRO 519 N 1.13 2.51 -0.21 1.29 -0.04 -1.26 -1.06 135.00 137.36 3gut n PRO 519 Ca -0.13 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3gut n PRO 519 Cb 0.53 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3gut n PRO 519 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gut n ASP 520 N 0.89 0.00 -0.32 3.54 3.85 -1.04 -4.82 116.55 118.65 3gut n ASP 520 Ca 0.04 -0.39 -0.02 0.00 -0.71 0.00 0.00 54.79 53.71 3gut n ASP 520 Cb 0.37 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.25 3gut n ASP 520 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3gut h SER 521 N 0.00 0.94 1.29 -1.12 4.64 -1.96 -2.22 113.55 115.12 3gut h SER 521 Ca 0.00 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3gut h SER 521 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3gut h SER 521 CO 0.00 0.65 -0.42 0.71 -0.87 0.00 0.00 176.83 176.90 3gut h THR 522 N 1.10 0.79 0.00 2.95 1.35 -2.03 -3.47 112.91 113.60 3gut h THR 522 Ca 0.34 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3gut h THR 522 Cb -0.02 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3gut h THR 522 CO -0.11 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 3gut n GLY 523 N 0.85 2.13 3.68 5.82 0.00 -0.84 -5.08 105.19 111.75 3gut n GLY 523 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3gut n GLY 523 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gut s SER 524 N -1.77 6.79 -0.81 1.61 0.01 -1.26 -4.34 113.70 113.93 3gut s SER 524 Ca 0.00 2.13 -0.25 0.00 1.31 0.00 0.00 55.95 59.13 3gut s SER 524 Cb 0.00 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 3gut s SER 524 CO 0.00 -0.79 2.23 -0.36 0.41 0.00 0.00 173.24 174.73 3gut s PHE 525 N 2.95 1.38 0.00 2.43 0.40 -1.26 -2.50 117.98 121.37 3gut s PHE 525 Ca 0.66 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 58.45 3gut s PHE 525 Cb -0.32 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 39.54 3gut s PHE 525 CO 0.26 -1.71 0.00 0.25 0.70 0.00 0.00 175.22 174.72 3gut n THR 526 N 8.38 0.00 -2.29 0.64 -2.24 -1.12 -4.78 114.28 112.86 3gut n THR 526 Ca 0.43 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.63 3gut n THR 526 Cb 0.45 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3gut n THR 526 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gut s ARG 527 N -1.33 3.48 -0.09 -0.78 0.52 -0.22 -4.84 118.95 115.69 3gut s ARG 527 Ca 0.00 0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 55.98 3gut s ARG 527 Cb 0.00 -4.07 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 3gut s ARG 527 CO 0.00 -1.69 0.48 0.50 0.02 0.00 0.00 175.30 174.61 3gut s ARG 528 N 5.17 4.27 0.26 3.54 3.52 -1.26 0.94 118.95 135.40 3gut s ARG 528 Ca 0.63 0.47 0.05 0.00 -0.13 0.00 0.00 55.73 56.75 3gut s ARG 528 Cb -0.15 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3gut s ARG 528 CO 0.32 0.27 0.40 -0.51 -0.81 0.00 0.00 175.30 174.96 3gut s LEU 529 N 0.26 4.24 -0.26 -0.88 1.43 -0.40 -4.99 118.68 118.09 3gut s LEU 529 Ca 0.26 0.08 -0.33 0.00 -1.03 0.00 0.00 54.13 53.11 3gut s LEU 529 Cb -0.16 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.07 3gut s LEU 529 CO 0.11 -0.14 2.13 -0.62 0.23 0.00 0.00 176.35 178.06 3gut n GLU 530 N -1.48 1.55 -1.60 1.70 -0.58 -1.26 -4.51 120.64 114.45 3gut n GLU 530 Ca -0.07 0.46 -0.33 0.00 -0.42 0.00 0.00 57.16 56.80 3gut n GLU 530 Cb 0.57 -2.71 0.07 0.00 -0.57 0.00 0.00 31.44 28.80 3gut n GLU 530 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3gut s PRO 531 N 5.78 2.51 0.01 3.49 0.04 -1.26 -4.55 135.00 141.02 3gut s PRO 531 Ca 1.04 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.65 3gut s PRO 531 Cb -0.68 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3gut s PRO 531 CO 0.46 -1.50 -0.19 0.54 0.04 0.00 0.00 177.00 176.35 3gut s VAL 532 N -2.24 1.53 -0.05 -0.36 0.11 0.87 -4.96 120.40 115.30 3gut s VAL 532 Ca 0.69 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3gut s VAL 532 Cb -0.23 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 3gut s VAL 532 CO 0.44 0.30 0.07 0.68 -3.33 0.00 0.00 175.10 173.25 3gut s VAL 533 N -0.62 4.72 0.78 2.04 -7.23 -1.26 0.32 120.40 119.15 3gut s VAL 533 Ca 0.07 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 3gut s VAL 533 Cb -0.08 -3.09 0.15 0.00 0.56 0.00 0.00 36.38 33.92 3gut s VAL 533 CO 0.00 0.47 1.07 -0.94 -0.31 0.00 0.00 175.10 175.39 3gut s SER 534 N -1.37 4.03 1.00 4.85 1.04 0.09 -4.99 113.70 118.35 3gut s SER 534 Ca 0.19 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 3gut s SER 534 Cb -0.12 0.08 0.19 0.00 0.10 0.00 0.00 66.02 66.27 3gut s SER 534 CO 0.09 -2.09 1.08 -1.81 0.98 0.00 0.00 173.24 171.49 3gut s ASP 535 N -4.80 2.46 0.51 7.02 -0.00 -1.26 -4.63 116.67 115.97 3gut s ASP 535 Ca 0.69 1.47 -0.16 0.00 -0.00 0.00 0.00 52.55 54.55 3gut s ASP 535 Cb -0.04 -2.15 -0.07 0.00 -0.00 0.00 0.00 42.92 40.65 3gut s ASP 535 CO 0.46 -3.27 0.97 0.00 -0.00 0.00 0.00 175.17 173.33 3gut s ALA 536 N -2.78 3.09 -0.05 5.23 0.00 -1.26 -4.40 121.76 121.58 3gut s ALA 536 Ca 0.66 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.80 3gut s ALA 536 Cb -0.21 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3gut s ALA 536 CO 0.59 -0.25 -0.24 0.42 0.00 0.00 0.00 175.76 176.28 3gut s ILE 537 N -2.65 2.13 -0.19 0.00 1.01 0.23 -4.59 121.20 117.14 3gut s ILE 537 Ca 0.58 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3gut s ILE 537 Cb -0.10 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3gut s ILE 537 CO 0.33 0.57 -0.18 -0.31 0.00 0.00 0.00 174.94 175.36 3gut s TYR 538 N -0.24 2.83 0.13 3.97 2.02 -0.93 -0.65 117.35 124.48 3gut s TYR 538 Ca -0.01 -1.59 -0.34 0.00 -0.37 0.00 0.00 57.07 54.76 3gut s TYR 538 Cb -0.13 -1.95 -0.13 0.00 -0.40 0.00 0.00 41.96 39.35 3gut s TYR 538 CO 0.03 -0.78 1.64 -3.47 -1.57 0.00 0.00 175.55 171.40 3gut n ASP 539 N 4.63 3.23 0.00 2.29 2.03 -1.07 -4.30 116.55 123.37 3gut n ASP 539 Ca -0.20 1.06 0.08 0.00 0.52 0.00 0.00 54.79 56.25 3gut n ASP 539 Cb 0.50 -1.43 0.42 0.00 -0.72 0.00 0.00 41.12 39.88 3gut n ASP 539 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3gut n SER 540 N 4.01 0.00 0.05 1.67 3.41 0.62 -2.91 113.62 120.47 3gut n SER 540 Ca 0.18 -0.11 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 3gut n SER 540 Cb 0.30 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3gut n SER 540 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3gut h LYS 541 N 0.00 0.00 -6.48 4.33 3.64 -1.89 -3.40 116.57 112.77 3gut h LYS 541 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3gut h LYS 541 Cb 0.10 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3gut h LYS 541 CO 0.00 0.43 0.99 0.00 -2.27 0.00 0.00 179.45 178.60 3gut s ALA 542 N -2.86 3.71 0.33 5.00 0.00 -1.14 -4.81 121.76 121.99 3gut s ALA 542 Ca -0.01 1.25 0.10 0.00 0.00 0.00 0.00 51.96 53.29 3gut s ALA 542 Cb 0.08 -3.69 0.85 0.00 0.00 0.00 0.00 23.12 20.37 3gut s ALA 542 CO 0.80 -1.06 1.78 -1.35 0.00 0.00 0.00 175.76 175.94 3gut h PRO 543 N 8.09 0.63 -1.00 0.00 0.11 -1.91 0.65 132.00 138.57 3gut h PRO 543 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3gut h PRO 543 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3gut h PRO 543 CO 0.93 0.42 0.01 0.27 -0.21 0.00 0.00 178.00 179.42 3gut n ASN 544 N -4.72 2.89 0.00 -2.05 6.94 -1.26 -3.30 115.26 113.77 3gut n ASN 544 Ca 0.23 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 3gut n ASN 544 Cb 0.64 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3gut n ASN 544 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gut n ALA 545 N 0.43 0.00 -2.02 -2.53 0.00 0.20 -4.94 120.51 111.66 3gut n ALA 545 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3gut n ALA 545 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3gut n ALA 545 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gut s SER 546 N 0.00 7.28 0.18 0.00 1.04 0.19 -4.78 113.70 117.60 3gut s SER 546 Ca 0.00 2.11 -0.30 0.00 0.48 0.00 0.00 55.95 58.23 3gut s SER 546 Cb 0.00 -2.61 -0.17 0.00 0.10 0.00 0.00 66.02 63.34 3gut s SER 546 CO 0.00 -0.20 0.70 -0.46 0.98 0.00 0.00 173.24 174.27 3gut n ASN 547 N 2.20 -0.58 -4.91 7.02 0.23 -1.26 -4.96 115.26 113.01 3gut n ASN 547 Ca 0.02 1.14 -0.33 0.00 -0.53 0.00 0.00 54.58 54.88 3gut n ASN 547 Cb 0.46 -1.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.11 3gut n ASN 547 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3gut s LEU 548 N 2.09 4.36 -0.28 -4.53 1.43 -1.26 -4.79 118.68 115.71 3gut s LEU 548 Ca 0.68 0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 3gut s LEU 548 Cb -0.95 -2.76 0.10 0.00 0.03 0.00 0.00 46.19 42.61 3gut s LEU 548 CO 0.56 0.22 0.86 -0.75 0.23 0.00 0.00 176.35 177.47 3gut s LYS 549 N -2.12 0.65 -0.29 1.70 2.20 -1.26 -4.50 119.74 116.12 3gut s LYS 549 Ca 0.30 0.85 -0.18 0.00 -0.36 0.00 0.00 55.97 56.59 3gut s LYS 549 Cb -0.13 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 3gut s LYS 549 CO 0.21 -0.09 0.51 0.42 -0.36 0.00 0.00 175.35 176.04 3gut s ILE 550 N 0.61 5.06 0.00 5.43 1.09 -1.26 -2.86 121.20 129.26 3gut s ILE 550 Ca -0.01 0.72 0.00 0.00 -1.10 0.00 0.00 60.65 60.26 3gut s ILE 550 Cb -0.05 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 3gut s ILE 550 CO -0.06 0.00 0.04 0.52 -0.10 0.00 0.00 174.94 175.34 3gut n VAL 551 N 5.24 0.00 -4.26 2.92 0.31 -0.60 -4.98 118.33 116.96 3gut n VAL 551 Ca -0.04 0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 64.60 3gut n VAL 551 Cb 0.50 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 32.05 3gut n VAL 551 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gut s ARG 552 N -0.90 1.11 -0.04 5.55 3.52 -1.22 -5.01 118.95 121.96 3gut s ARG 552 Ca 0.00 -1.52 -0.04 0.00 -0.13 0.00 0.00 55.73 54.05 3gut s ARG 552 Cb 0.00 -0.46 0.02 0.00 -1.56 0.00 0.00 34.95 32.95 3gut s ARG 552 CO 0.00 -0.04 0.11 -1.64 -0.81 0.00 0.00 175.30 172.92 3gut s MET 553 N -3.84 0.12 -0.01 5.12 -1.94 -1.26 -1.69 119.30 115.80 3gut s MET 553 Ca 0.21 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.40 3gut s MET 553 Cb 0.05 0.02 0.06 0.00 2.01 0.00 0.00 34.83 36.96 3gut s MET 553 CO 0.03 -0.04 0.93 -0.40 -0.01 0.00 0.00 175.02 175.53 3gut n ASP 554 N 3.23 0.61 -3.15 3.03 5.68 -1.04 -4.64 116.55 120.27 3gut n ASP 554 Ca -0.15 -2.02 0.06 0.00 -0.50 0.00 0.00 54.79 52.18 3gut n ASP 554 Cb 0.58 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 3gut n ASP 554 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3gut s ARG 555 N -1.72 0.10 -0.07 0.11 6.06 -1.26 -4.94 118.95 117.23 3gut s ARG 555 Ca 0.04 0.18 0.18 0.00 -2.50 0.00 0.00 55.73 53.64 3gut s ARG 555 Cb 0.03 0.10 0.64 0.00 0.06 0.00 0.00 34.95 35.78 3gut s ARG 555 CO 0.02 -0.11 1.55 0.25 -2.50 0.00 0.00 175.30 174.52 3gut n THR 556 N 5.49 1.55 -4.16 4.11 -2.24 -1.26 -4.91 114.28 112.85 3gut n THR 556 Ca -0.08 -1.17 -0.13 0.00 -2.27 0.00 0.00 64.05 60.40 3gut n THR 556 Cb 0.54 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 3gut n THR 556 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gut s ALA 557 N -1.59 1.01 -0.10 6.98 0.00 -1.26 0.04 121.76 126.84 3gut s ALA 557 Ca 0.47 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3gut s ALA 557 Cb 0.29 0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.61 3gut s ALA 557 CO 0.25 -0.12 0.99 0.20 0.00 0.00 0.00 175.76 177.08 3gut s GLY 558 N -2.62 -0.34 1.07 0.00 0.00 0.49 -4.89 107.32 101.02 3gut s GLY 558 Ca 0.07 1.56 -0.12 0.00 0.00 0.00 0.00 44.72 46.23 3gut s GLY 558 CO -0.02 0.67 1.06 0.00 0.00 0.00 0.00 173.10 174.81 3gut h VAL 560 N -2.26 0.00 -0.62 0.00 -1.51 -1.80 -3.23 116.25 106.83 3gut h VAL 560 Ca -0.56 -0.58 -0.06 0.00 -1.23 0.00 0.00 66.70 64.27 3gut h VAL 560 Cb 1.32 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.84 3gut h VAL 560 CO 0.51 0.00 0.14 0.71 -1.23 0.00 0.00 177.57 177.69 3gut h THR 561 N 0.00 1.25 -0.22 7.19 1.35 -1.88 0.61 112.91 121.21 3gut h THR 561 Ca 0.00 -0.92 0.03 0.00 -0.55 0.00 0.00 66.41 64.97 3gut h THR 561 Cb 0.79 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3gut h THR 561 CO 0.00 0.34 -0.04 0.61 -0.25 0.00 0.00 175.52 176.19 3gut n GLY 562 N -0.75 -1.40 0.79 5.82 0.00 -1.22 -4.13 105.19 104.31 3gut n GLY 562 Ca 0.04 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3gut n GLY 562 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 563 N -1.41 0.72 3.77 -0.02 0.00 0.92 -4.91 105.19 104.27 3gut n GLY 563 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gut n GLY 563 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gut s GLU 564 N -0.74 4.25 -0.08 1.61 2.02 -1.26 -4.52 118.70 119.99 3gut s GLU 564 Ca 0.00 1.86 -0.19 0.00 0.02 0.00 0.00 54.97 56.66 3gut s GLU 564 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 3gut s GLU 564 CO 0.00 -0.15 0.52 -2.00 0.02 0.00 0.00 175.26 173.64 3gut s GLU 565 N -2.03 4.31 0.03 1.61 2.12 -1.26 0.84 118.70 124.32 3gut s GLU 565 Ca 0.53 0.55 0.04 0.00 0.36 0.00 0.00 54.97 56.45 3gut s GLU 565 Cb -0.32 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 3gut s GLU 565 CO 0.40 0.24 -0.13 0.42 -0.54 0.00 0.00 175.26 175.66 3gut s ILE 566 N 0.32 1.00 -0.22 -3.70 1.09 0.08 -4.97 121.20 114.81 3gut s ILE 566 Ca 0.28 -0.87 -0.09 0.00 -1.10 0.00 0.00 60.65 58.86 3gut s ILE 566 Cb -0.16 -0.90 -0.05 0.00 -1.06 0.00 0.00 42.46 40.29 3gut s ILE 566 CO 0.13 0.03 0.12 -0.31 -0.10 0.00 0.00 174.94 174.81 3gut s TYR 567 N -0.75 3.30 -0.07 3.97 1.51 -1.26 -1.02 117.35 123.03 3gut s TYR 567 Ca 0.01 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 3gut s TYR 567 Cb -0.07 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3gut s TYR 567 CO 0.01 0.10 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.20 3gut s LEU 568 N 0.80 1.85 0.02 -1.29 0.20 -0.17 -2.49 118.68 117.60 3gut s LEU 568 Ca 0.06 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 3gut s LEU 568 Cb -0.13 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 3gut s LEU 568 CO 0.02 0.10 0.16 -0.76 -0.29 0.00 0.00 176.35 175.59 3gut s LEU 569 N 0.40 4.22 0.33 -0.68 1.43 -0.68 0.61 118.68 124.31 3gut s LEU 569 Ca -0.13 0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 3gut s LEU 569 Cb -0.15 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3gut s LEU 569 CO 0.05 0.23 0.73 0.00 0.23 0.00 0.00 176.35 177.58 3gut s ASP 571 N -3.02 2.84 0.14 0.00 1.11 -1.14 -4.54 116.67 112.06 3gut s ASP 571 Ca 0.15 0.22 -0.34 0.00 0.18 0.00 0.00 52.55 52.76 3gut s ASP 571 Cb -0.05 -0.21 -0.16 0.00 1.07 0.00 0.00 42.92 43.57 3gut s ASP 571 CO 0.10 -2.90 1.16 1.17 1.18 0.00 0.00 175.17 175.88 3gut n LYS 572 N -3.87 0.98 -3.72 8.23 0.00 -1.26 -4.55 118.16 113.97 3gut n LYS 572 Ca 0.16 0.35 -0.14 0.00 0.00 0.00 0.00 58.31 58.68 3gut n LYS 572 Cb 0.59 -1.86 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 3gut n LYS 572 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3gut s VAL 573 N -0.06 0.04 -0.35 3.15 -7.23 -0.26 -4.90 120.40 110.78 3gut s VAL 573 Ca 0.77 -0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 3gut s VAL 573 Cb -0.92 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 35.36 3gut s VAL 573 CO 0.52 -0.20 0.72 -1.58 -0.31 0.00 0.00 175.10 174.25 3gut s GLN 574 N -1.14 3.74 0.37 4.82 2.00 -1.26 -4.50 119.66 123.68 3gut s GLN 574 Ca -0.12 0.22 0.17 0.00 -2.00 0.00 0.00 55.36 53.63 3gut s GLN 574 Cb -0.04 -3.80 1.10 0.00 0.80 0.00 0.00 33.01 31.07 3gut s GLN 574 CO 0.05 -0.78 1.70 1.57 -0.50 0.00 0.00 175.29 177.32 3gut h LYS 575 N 8.44 0.35 0.00 1.67 2.10 -1.92 -0.09 116.57 127.12 3gut h LYS 575 Ca -0.25 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.27 3gut h LYS 575 Cb 1.10 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 3gut h LYS 575 CO 0.87 0.23 -0.65 -0.44 -2.00 0.00 0.00 179.45 177.46 3gut h ASP 576 N 0.36 0.00 -1.02 7.07 3.32 -1.93 -3.35 116.42 120.86 3gut h ASP 576 Ca 0.70 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 57.11 3gut h ASP 576 Cb 1.68 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.89 3gut h ASP 576 CO -0.47 0.47 0.24 -0.67 -1.72 0.00 0.00 179.24 177.08 3gut n ASP 577 N -3.14 6.61 -3.83 6.45 2.03 -0.05 -4.98 116.55 119.65 3gut n ASP 577 Ca -0.00 -3.78 -0.12 0.00 0.52 0.00 0.00 54.79 51.41 3gut n ASP 577 Cb 0.74 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 40.28 3gut n ASP 577 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gut s ILE 578 N -4.81 0.03 0.07 5.18 2.07 -1.21 -2.43 121.20 120.10 3gut s ILE 578 Ca 0.58 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.56 3gut s ILE 578 Cb 0.47 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.67 3gut s ILE 578 CO -0.03 -0.15 -0.06 -1.10 -1.91 0.00 0.00 174.94 171.68 3gut s GLN 579 N -0.51 0.68 -0.33 3.50 -0.21 -0.92 -4.99 119.66 116.88 3gut s GLN 579 Ca -0.06 -1.10 -0.10 0.00 0.02 0.00 0.00 55.36 54.12 3gut s GLN 579 Cb -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.82 3gut s GLN 579 CO 0.01 -0.01 0.17 0.42 -2.12 0.00 0.00 175.29 173.75 3gut s ILE 580 N -2.86 4.59 -0.18 1.08 1.09 -1.26 -2.05 121.20 121.61 3gut s ILE 580 Ca 0.03 -0.56 -0.04 0.00 -1.10 0.00 0.00 60.65 58.98 3gut s ILE 580 Cb 0.00 -3.41 -0.03 0.00 -1.06 0.00 0.00 42.46 37.97 3gut s ILE 580 CO -0.04 -0.03 -0.02 -0.60 -0.10 0.00 0.00 174.94 174.16 3gut s ARG 581 N 1.59 3.66 0.04 2.79 3.52 -0.31 -1.75 118.95 128.49 3gut s ARG 581 Ca 0.04 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3gut s ARG 581 Cb -0.18 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3gut s ARG 581 CO 0.06 0.14 0.13 -0.06 -0.81 0.00 0.00 175.30 174.76 3gut s PHE 582 N 0.65 3.34 -0.13 5.12 0.40 0.58 -1.06 117.98 126.89 3gut s PHE 582 Ca -0.01 0.19 -0.31 0.00 -0.60 0.00 0.00 56.93 56.20 3gut s PHE 582 Cb -0.14 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 41.81 3gut s PHE 582 CO 0.02 0.56 1.05 1.52 0.70 0.00 0.00 175.22 179.07 3gut s TYR 583 N -1.36 -0.27 -0.08 0.36 -0.85 0.54 -0.47 117.35 115.22 3gut s TYR 583 Ca 0.29 0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 57.07 3gut s TYR 583 Cb -0.12 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.73 3gut s TYR 583 CO 0.21 -0.34 0.25 -2.00 -1.52 0.00 0.00 175.55 172.15 3gut s GLU 584 N -2.00 0.35 0.28 -3.49 2.12 -1.10 -0.62 118.70 114.25 3gut s GLU 584 Ca 0.04 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 3gut s GLU 584 Cb -0.01 0.17 -0.10 0.00 0.26 0.00 0.00 34.13 34.45 3gut s GLU 584 CO -0.04 -0.06 1.36 -2.00 -0.54 0.00 0.00 175.26 173.99 3gut s GLU 585 N -0.17 4.32 0.56 4.30 2.56 -1.26 -1.69 118.70 127.32 3gut s GLU 585 Ca -0.03 2.23 0.09 0.00 0.00 0.00 0.00 54.97 57.27 3gut s GLU 585 Cb -0.03 -3.10 0.08 0.00 2.00 0.00 0.00 34.13 33.08 3gut s GLU 585 CO 0.01 -0.30 0.77 -2.00 -0.56 0.00 0.00 175.26 173.19 3gut s GLU 586 N -0.99 2.35 -0.01 4.30 2.56 -0.29 -4.89 118.70 121.72 3gut s GLU 586 Ca 0.54 -1.59 -0.23 0.00 0.00 0.00 0.00 54.97 53.69 3gut s GLU 586 Cb -0.40 -2.65 -0.16 0.00 2.00 0.00 0.00 34.13 32.91 3gut s GLU 586 CO 0.47 -0.82 1.09 1.49 -0.56 0.00 0.00 175.26 176.94 3gut h GLU 587 N 0.21 -0.32 0.00 4.30 4.57 -1.96 -3.11 114.58 118.27 3gut h GLU 587 Ca -0.31 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3gut h GLU 587 Cb 1.29 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 3gut h GLU 587 CO 0.41 0.04 0.00 0.27 -1.18 0.00 0.00 179.01 178.55 3gut n ASN 588 N -5.05 0.00 0.00 1.04 0.23 -1.26 -4.81 115.26 105.41 3gut n ASN 588 Ca -0.09 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 3gut n ASN 588 Cb 0.26 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3gut n ASN 588 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gut n GLY 589 N -0.92 3.12 0.00 4.83 0.00 -1.17 -5.07 105.19 105.97 3gut n GLY 589 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gut n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 590 N -1.31 -2.18 3.18 -0.02 0.00 -1.26 -4.62 105.19 98.98 3gut n GLY 590 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3gut n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gut s VAL 591 N -0.64 0.01 -0.05 1.61 0.11 -1.26 -1.13 120.40 119.04 3gut s VAL 591 Ca 0.00 -0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.72 3gut s VAL 591 Cb 0.00 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3gut s VAL 591 CO 0.00 -0.04 0.82 0.86 -3.33 0.00 0.00 175.10 173.41 3gut s TRP 592 N -0.05 3.59 -0.11 1.54 -0.00 -0.68 -4.91 118.94 118.31 3gut s TRP 592 Ca -0.02 1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 57.47 3gut s TRP 592 Cb -0.03 -2.94 -0.03 0.00 -0.00 0.00 0.00 33.47 30.47 3gut s TRP 592 CO 0.01 0.02 -0.01 -2.00 -0.00 0.00 0.00 176.95 174.96 3gut s GLU 593 N 1.02 3.24 -0.08 5.86 2.12 -1.26 -2.70 118.70 126.89 3gut s GLU 593 Ca 0.43 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.27 3gut s GLU 593 Cb -0.19 -2.84 0.04 0.00 0.26 0.00 0.00 34.13 31.41 3gut s GLU 593 CO 0.21 0.53 0.18 0.20 -0.54 0.00 0.00 175.26 175.84 3gut s GLY 594 N -0.41 -0.04 0.02 -1.50 0.00 0.38 -4.98 107.32 100.79 3gut s GLY 594 Ca 0.07 0.74 0.05 0.00 0.00 0.00 0.00 44.72 45.58 3gut s GLY 594 CO 0.02 1.24 -0.12 -1.36 0.00 0.00 0.00 173.10 172.89 3gut s PHE 595 N 1.49 2.74 0.48 1.90 0.40 -1.26 0.22 117.98 123.94 3gut s PHE 595 Ca -0.06 -0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 55.91 3gut s PHE 595 Cb -0.11 -1.54 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 3gut s PHE 595 CO -0.07 0.31 1.12 0.20 0.70 0.00 0.00 175.22 177.48 3gut s GLY 596 N -1.42 2.68 -0.49 4.36 0.00 -0.72 -4.26 107.32 107.47 3gut s GLY 596 Ca 0.16 0.81 -0.12 0.00 0.00 0.00 0.00 44.72 45.57 3gut s GLY 596 CO 0.06 1.20 0.39 -0.35 0.00 0.00 0.00 173.10 174.41 3gut s ASP 597 N -1.64 5.91 0.08 1.64 2.15 -0.84 -4.78 116.67 119.19 3gut s ASP 597 Ca 0.67 -1.74 -0.11 0.00 0.43 0.00 0.00 52.55 51.79 3gut s ASP 597 Cb -0.24 -2.10 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 3gut s ASP 597 CO 0.28 -0.72 0.24 0.72 -0.17 0.00 0.00 175.17 175.52 3gut s PHE 598 N 1.48 0.04 0.09 -5.34 -0.12 -1.26 -3.34 117.98 109.53 3gut s PHE 598 Ca 0.04 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.62 3gut s PHE 598 Cb -0.27 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 3gut s PHE 598 CO 0.02 -0.55 -0.13 0.45 -0.05 0.00 0.00 175.22 174.97 3gut s SER 599 N -2.61 4.22 0.00 1.98 0.15 -1.26 -4.98 113.70 111.20 3gut s SER 599 Ca 0.02 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.26 3gut s SER 599 Cb 0.03 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 3gut s SER 599 CO -0.09 0.20 0.44 -2.65 1.20 0.00 0.00 173.24 172.33 3gut n PRO 600 N 0.93 0.00 0.01 5.44 -0.02 -1.26 0.22 135.00 140.31 3gut n PRO 600 Ca -0.14 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.52 3gut n PRO 600 Cb 0.52 -1.73 -0.13 0.00 -0.02 0.00 0.00 33.50 32.15 3gut n PRO 600 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gut n THR 601 N -0.94 0.09 0.22 3.45 -2.24 -1.26 -4.04 114.28 109.56 3gut n THR 601 Ca 0.00 -0.43 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 3gut n THR 601 Cb 0.23 0.09 0.27 0.00 -2.10 0.00 0.00 70.33 68.82 3gut n THR 601 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3gut h ASP 602 N 0.00 0.00 -2.60 3.42 5.19 0.23 -3.43 116.42 119.23 3gut h ASP 602 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 3gut h ASP 602 Cb 0.92 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.35 3gut h ASP 602 CO 0.00 0.09 1.05 -0.69 -3.12 0.00 0.00 179.24 176.57 3gut s VAL 603 N -3.29 3.79 -0.46 -1.35 1.01 -1.24 -2.43 120.40 116.43 3gut s VAL 603 Ca 0.05 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 3gut s VAL 603 Cb 0.07 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.65 3gut s VAL 603 CO 0.66 -1.66 1.04 -2.28 0.00 0.00 0.00 175.10 172.85 3gut s HIS 604 N 5.63 2.88 -1.42 5.22 2.46 -0.18 -4.36 115.29 125.52 3gut s HIS 604 Ca 0.39 0.60 -0.12 0.00 0.47 0.00 0.00 55.06 56.39 3gut s HIS 604 Cb -0.08 -4.18 0.10 0.00 -0.13 0.00 0.00 32.58 28.28 3gut s HIS 604 CO 0.18 -1.16 0.63 0.54 -2.47 0.00 0.00 174.74 172.46 3gut n ARG 605 N 7.48 -3.62 -0.04 2.88 5.12 -1.26 -2.00 116.66 125.22 3gut n ARG 605 Ca 0.09 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 3gut n ARG 605 Cb 0.49 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 3gut n ARG 605 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3gut n GLN 606 N -4.02 0.00 -0.00 5.56 3.00 -1.26 -4.73 117.38 115.93 3gut n GLN 606 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.06 3gut n GLN 606 Cb 0.52 -3.11 -0.07 0.00 0.00 0.00 0.00 30.24 27.59 3gut n GLN 606 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3gut n PHE 607 N -2.00 0.00 -4.13 1.08 3.72 -0.85 -1.11 117.46 114.17 3gut n PHE 607 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3gut n PHE 607 Cb 0.00 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.41 3gut n PHE 607 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gut s ALA 608 N -2.14 0.78 -0.11 4.37 0.00 -1.06 0.13 121.76 123.73 3gut s ALA 608 Ca 0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 3gut s ALA 608 Cb 0.08 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.03 3gut s ALA 608 CO 0.47 -0.47 0.24 0.42 0.00 0.00 0.00 175.76 176.41 3gut s ILE 609 N -4.03 -0.20 -0.56 0.00 1.01 0.20 -1.00 121.20 116.62 3gut s ILE 609 Ca 0.21 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 3gut s ILE 609 Cb 0.07 -0.39 0.10 0.00 0.01 0.00 0.00 42.46 42.25 3gut s ILE 609 CO -0.00 0.09 0.62 -0.69 0.00 0.00 0.00 174.94 174.96 3gut s VAL 610 N 1.79 4.96 0.00 2.92 1.01 -1.02 -1.00 120.40 129.06 3gut s VAL 610 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3gut s VAL 610 Cb -0.11 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3gut s VAL 610 CO -0.08 -0.98 0.00 2.22 0.00 0.00 0.00 175.10 176.26 3gut n PHE 611 N 5.95 -0.30 -4.02 5.22 -1.74 -0.19 -4.82 117.46 117.56 3gut n PHE 611 Ca -0.11 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.61 3gut n PHE 611 Cb 0.42 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.26 3gut n PHE 611 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3gut s LYS 612 N -1.83 0.48 0.62 3.97 1.02 -1.21 -0.74 119.74 122.04 3gut s LYS 612 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 3gut s LYS 612 Cb 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3gut s LYS 612 CO 0.00 -0.10 1.08 2.41 -0.92 0.00 0.00 175.35 177.81 3gut n THR 613 N 4.04 4.14 -2.45 2.17 -1.04 0.25 -1.99 114.28 119.40 3gut n THR 613 Ca -0.26 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 60.98 3gut n THR 613 Cb 0.51 -1.27 0.02 0.00 -1.82 0.00 0.00 70.33 67.77 3gut n THR 613 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3gut s PRO 614 N -2.97 3.19 0.19 -2.82 0.04 -1.26 -0.06 135.00 131.32 3gut s PRO 614 Ca 0.78 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3gut s PRO 614 Cb -0.40 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 3gut s PRO 614 CO 0.45 -0.51 0.98 0.15 0.04 0.00 0.00 177.00 178.11 3gut s LYS 615 N -4.91 4.75 1.08 4.56 3.01 -1.26 -4.10 119.74 122.88 3gut s LYS 615 Ca 0.52 1.53 -0.12 0.00 -1.01 0.00 0.00 55.97 56.88 3gut s LYS 615 Cb -0.10 -3.31 0.24 0.00 -1.01 0.00 0.00 37.83 33.65 3gut s LYS 615 CO 0.46 0.33 1.06 -0.47 0.51 0.00 0.00 175.35 177.24 3gut s TYR 616 N -0.64 1.68 -0.84 3.18 5.04 0.21 -4.87 117.35 121.11 3gut s TYR 616 Ca 0.44 1.14 0.20 0.00 -2.44 0.00 0.00 57.07 56.41 3gut s TYR 616 Cb -0.26 -3.17 0.81 0.00 0.35 0.00 0.00 41.96 39.69 3gut s TYR 616 CO 0.32 -3.41 1.61 0.36 -1.34 0.00 0.00 175.55 173.09 3gut n LYS 617 N -4.58 0.07 -3.30 4.97 2.85 -1.26 -4.39 118.16 112.52 3gut n LYS 617 Ca 0.04 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.47 3gut n LYS 617 Cb 0.55 -1.62 -0.06 0.00 -0.65 0.00 0.00 35.03 33.26 3gut n LYS 617 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3gut s ASP 618 N -3.43 0.34 0.00 -5.58 2.15 -1.26 -5.02 116.67 103.87 3gut s ASP 618 Ca 0.07 -0.51 0.11 0.00 0.43 0.00 0.00 52.55 52.65 3gut s ASP 618 Cb 0.11 1.11 0.63 0.00 -0.30 0.00 0.00 42.92 44.46 3gut s ASP 618 CO 0.36 -0.34 1.28 1.33 -0.17 0.00 0.00 175.17 177.63 3gut n VAL 619 N 5.21 0.00 -1.79 1.11 0.24 -1.26 -3.61 118.33 118.23 3gut n VAL 619 Ca 0.02 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.37 3gut n VAL 619 Cb 0.49 -0.27 0.09 0.00 -1.47 0.00 0.00 33.84 32.69 3gut n VAL 619 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3gut n ASN 620 N -0.69 1.26 -4.55 -1.34 0.23 -1.26 -4.72 115.26 104.19 3gut n ASN 620 Ca 0.08 -2.74 -0.29 0.00 -0.53 0.00 0.00 54.58 51.10 3gut n ASN 620 Cb 0.04 -0.36 0.19 0.00 -2.08 0.00 0.00 39.78 37.56 3gut n ASN 620 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3gut s ILE 621 N -1.52 1.94 -0.13 1.53 -0.00 -1.24 -4.97 121.20 116.81 3gut s ILE 621 Ca 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 60.65 60.99 3gut s ILE 621 Cb 0.26 -2.52 -0.12 0.00 -0.00 0.00 0.00 42.46 40.07 3gut s ILE 621 CO -0.05 0.00 0.25 0.35 -0.00 0.00 0.00 174.94 175.49 3gut n THR 622 N -4.25 0.00 -5.08 8.37 -2.24 -1.26 -4.76 114.28 105.06 3gut n THR 622 Ca 0.06 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 3gut n THR 622 Cb 0.58 0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 69.16 3gut n THR 622 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gut s LYS 623 N -2.37 2.71 0.58 -0.78 -0.14 -1.26 -4.86 119.74 113.63 3gut s LYS 623 Ca -0.01 -0.77 -0.18 0.00 -1.36 0.00 0.00 55.97 53.65 3gut s LYS 623 Cb 0.06 -2.09 -0.10 0.00 -1.68 0.00 0.00 37.83 34.02 3gut s LYS 623 CO 0.36 0.16 0.33 -0.35 -0.76 0.00 0.00 175.35 175.09 3gut n PRO 624 N 3.55 0.35 -3.96 -1.68 -0.04 -1.26 -4.81 135.00 127.15 3gut n PRO 624 Ca -0.20 0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.13 3gut n PRO 624 Cb 0.53 -1.52 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 3gut n PRO 624 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gut s ALA 625 N -1.82 1.38 0.05 0.55 0.00 0.24 -4.98 121.76 117.19 3gut s ALA 625 Ca 0.65 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3gut s ALA 625 Cb -0.44 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3gut s ALA 625 CO 0.58 -0.38 1.00 -1.12 0.00 0.00 0.00 175.76 175.84 3gut s SER 626 N 1.62 7.38 0.00 0.00 0.01 -1.26 -2.27 113.70 119.18 3gut s SER 626 Ca 0.04 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.06 3gut s SER 626 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3gut s SER 626 CO -0.08 -0.21 0.00 1.33 0.41 0.00 0.00 173.24 174.69 3gut n VAL 627 N 3.42 0.00 -4.20 3.43 0.24 -0.20 -4.98 118.33 116.04 3gut n VAL 627 Ca 0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.19 3gut n VAL 627 Cb 0.50 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.73 3gut n VAL 627 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3gut s PHE 628 N -0.38 0.61 0.06 6.34 0.08 0.21 -2.75 117.98 122.15 3gut s PHE 628 Ca 0.00 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.95 3gut s PHE 628 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 3gut s PHE 628 CO 0.00 -0.02 -0.19 0.54 -0.10 0.00 0.00 175.22 175.45 3gut s VAL 629 N -0.36 1.58 0.34 -0.44 0.11 -0.33 -0.34 120.40 120.96 3gut s VAL 629 Ca 0.01 -1.28 -0.13 0.00 -2.93 0.00 0.00 61.98 57.64 3gut s VAL 629 Cb -0.04 -1.40 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3gut s VAL 629 CO -0.00 0.08 0.67 0.00 -3.33 0.00 0.00 175.10 172.51 3gut s GLN 630 N -1.42 2.01 -0.02 1.54 -2.07 -0.22 -1.04 119.66 118.44 3gut s GLN 630 Ca 0.06 -1.41 0.02 0.00 -1.82 0.00 0.00 55.36 52.21 3gut s GLN 630 Cb -0.09 0.56 -0.03 0.00 -1.09 0.00 0.00 33.01 32.36 3gut s GLN 630 CO 0.02 -0.90 -0.06 -0.51 -1.32 0.00 0.00 175.29 172.52 3gut s LEU 631 N -3.08 3.20 -0.16 2.60 1.43 -1.26 -1.16 118.68 120.25 3gut s LEU 631 Ca 0.19 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 3gut s LEU 631 Cb -0.04 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.46 3gut s LEU 631 CO 0.12 0.31 0.34 -0.60 0.23 0.00 0.00 176.35 176.76 3gut s ARG 632 N -1.24 0.26 0.35 1.70 3.52 -0.87 0.22 118.95 122.89 3gut s ARG 632 Ca 0.16 0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 56.33 3gut s ARG 632 Cb -0.11 0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.28 3gut s ARG 632 CO 0.06 -0.24 1.20 1.03 -0.81 0.00 0.00 175.30 176.54 3gut s ARG 633 N 2.20 4.27 -0.02 5.12 0.52 -0.89 -2.16 118.95 127.98 3gut s ARG 633 Ca -0.03 1.95 -0.08 0.00 -0.52 0.00 0.00 55.73 57.05 3gut s ARG 633 Cb -0.11 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3gut s ARG 633 CO -0.11 -0.17 0.49 0.87 0.02 0.00 0.00 175.30 176.41 3gut h LYS 634 N 3.11 -0.28 0.00 3.54 1.57 -1.83 -0.46 116.57 122.22 3gut h LYS 634 Ca -0.48 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3gut h LYS 634 Cb 1.23 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3gut h LYS 634 CO 0.64 -0.19 0.00 -1.13 -0.57 0.00 0.00 179.45 178.20 3gut n SER 635 N -3.81 0.00 -0.55 0.86 3.41 -1.26 -1.82 113.62 110.46 3gut n SER 635 Ca -0.04 0.31 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 3gut n SER 635 Cb 0.12 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3gut n SER 635 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gut n ASP 636 N -2.04 2.12 -1.38 4.04 5.75 -1.26 -4.99 116.55 118.79 3gut n ASP 636 Ca 0.00 -1.56 -0.17 0.00 -0.01 0.00 0.00 54.79 53.05 3gut n ASP 636 Cb 0.00 0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 3gut n ASP 636 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gut n LEU 637 N 0.19 -1.30 -4.77 -2.12 4.77 -0.18 -4.99 117.00 108.60 3gut n LEU 637 Ca 0.09 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 3gut n LEU 637 Cb 0.47 -2.47 0.10 0.00 -2.33 0.00 0.00 43.42 39.18 3gut n LEU 637 CO 0.25 -0.86 0.70 -1.61 -1.33 0.00 0.00 177.39 174.54 3gut s GLU 638 N -3.57 2.09 0.07 3.23 0.41 -1.25 -4.72 118.70 114.96 3gut s GLU 638 Ca 0.00 0.94 0.03 0.00 -0.41 0.00 0.00 54.97 55.53 3gut s GLU 638 Cb 0.00 -1.90 -0.03 0.00 -1.78 0.00 0.00 34.13 30.42 3gut s GLU 638 CO 0.00 -1.69 -0.09 0.95 -0.49 0.00 0.00 175.26 173.94 3gut s THR 639 N -2.99 0.76 1.00 3.63 -4.23 -1.25 -2.09 115.64 110.48 3gut s THR 639 Ca 0.61 -1.39 -0.14 0.00 -1.18 0.00 0.00 61.69 59.58 3gut s THR 639 Cb -0.16 -1.04 0.19 0.00 1.34 0.00 0.00 72.50 72.83 3gut s THR 639 CO 0.56 -0.48 1.14 -0.94 -0.54 0.00 0.00 174.62 174.36 3gut s SER 640 N -2.05 2.67 0.05 3.99 1.04 0.13 -4.82 113.70 114.70 3gut s SER 640 Ca -0.01 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 56.96 3gut s SER 640 Cb -0.06 -1.30 -0.06 0.00 0.10 0.00 0.00 66.02 64.70 3gut s SER 640 CO -0.00 -3.06 1.28 -1.83 0.98 0.00 0.00 173.24 170.60 3gut s GLU 641 N -5.31 4.37 -0.07 4.02 1.03 -1.26 -4.56 118.70 116.92 3gut s GLU 641 Ca 0.67 1.86 -0.40 0.00 0.03 0.00 0.00 54.97 57.12 3gut s GLU 641 Cb -0.13 -3.40 -0.19 0.00 -0.80 0.00 0.00 34.13 29.61 3gut s GLU 641 CO 0.55 -0.38 1.22 -2.30 -1.33 0.00 0.00 175.26 173.02 3gut n PRO 642 N 4.37 0.26 -4.12 -4.83 -0.02 -1.26 -4.84 135.00 124.56 3gut n PRO 642 Ca 0.10 0.09 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 3gut n PRO 642 Cb 0.45 -1.63 -0.17 0.00 -0.02 0.00 0.00 33.50 32.13 3gut n PRO 642 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gut s LYS 643 N 0.66 1.51 0.11 -0.52 2.20 -0.21 -4.94 119.74 118.54 3gut s LYS 643 Ca 0.92 -0.28 -0.35 0.00 -0.36 0.00 0.00 55.97 55.90 3gut s LYS 643 Cb -1.23 -1.47 -0.18 0.00 -1.51 0.00 0.00 37.83 33.44 3gut s LYS 643 CO 0.59 -0.17 0.98 -2.30 -0.36 0.00 0.00 175.35 174.09 3gut n PRO 644 N 4.56 0.42 -3.87 4.03 -0.02 -1.26 -1.18 135.00 137.67 3gut n PRO 644 Ca -0.16 0.15 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 3gut n PRO 644 Cb 0.51 -1.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.31 3gut n PRO 644 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gut s PHE 645 N -0.27 0.00 -0.23 6.00 2.19 -1.11 -4.81 117.98 119.76 3gut s PHE 645 Ca 0.79 -0.01 -0.01 0.00 0.33 0.00 0.00 56.93 58.03 3gut s PHE 645 Cb -1.04 -0.01 0.02 0.00 -1.31 0.00 0.00 43.02 40.68 3gut s PHE 645 CO 0.55 -0.02 -0.10 -1.17 1.83 0.00 0.00 175.22 176.31 3gut s LEU 646 N -0.08 2.88 -0.50 6.12 1.98 0.11 -1.03 118.68 128.16 3gut s LEU 646 Ca -0.01 -0.79 -0.18 0.00 -2.89 0.00 0.00 54.13 50.26 3gut s LEU 646 Cb -0.01 -1.62 0.06 0.00 0.66 0.00 0.00 46.19 45.29 3gut s LEU 646 CO -0.00 -0.08 0.57 -0.31 -1.89 0.00 0.00 176.35 174.64 3gut s TYR 647 N 1.32 3.09 -0.05 5.38 2.02 -0.96 -0.38 117.35 127.78 3gut s TYR 647 Ca 0.02 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 3gut s TYR 647 Cb -0.16 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 37.93 3gut s TYR 647 CO -0.07 -0.97 0.11 1.52 -1.57 0.00 0.00 175.55 174.58 3gut s TYR 648 N 2.41 3.43 0.90 2.71 -0.85 -0.77 -0.59 117.35 124.58 3gut s TYR 648 Ca 0.13 0.33 -0.12 0.00 -0.52 0.00 0.00 57.07 56.89 3gut s TYR 648 Cb -0.20 -1.82 0.13 0.00 0.38 0.00 0.00 41.96 40.44 3gut s TYR 648 CO 0.11 0.62 1.11 -1.25 -1.52 0.00 0.00 175.55 174.61 3gut s PRO 649 N -1.50 1.27 0.00 -3.49 0.04 -1.26 -2.42 135.00 127.63 3gut s PRO 649 Ca 0.21 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.80 3gut s PRO 649 Cb -0.12 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3gut s PRO 649 CO 0.11 -2.17 0.34 -1.91 0.04 0.00 0.00 177.00 173.41