#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 3.82 0.20 1.61 0.04 -1.26 -4.79 135.00 134.62 3gut s PRO 340 Ca 0.00 0.90 0.02 0.00 0.04 0.00 0.00 61.00 61.96 3gut s PRO 340 Cb 0.00 -3.88 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 3gut s PRO 340 CO 0.00 -1.25 0.06 2.48 0.04 0.00 0.00 177.00 178.34 3gut n TYR 341 N 7.74 0.12 -4.40 0.56 4.11 -1.22 -4.75 117.16 119.32 3gut n TYR 341 Ca 0.13 -1.25 -0.29 0.00 -0.00 0.00 0.00 57.90 56.50 3gut n TYR 341 Cb 0.48 -0.02 -0.13 0.00 -0.00 0.00 0.00 39.34 39.67 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 2.32 -0.18 -3.48 1.98 -1.26 -2.56 118.68 115.50 3gut s LEU 342 Ca 0.09 -0.75 -0.09 0.00 -2.89 0.00 0.00 54.13 50.49 3gut s LEU 342 Cb 0.00 -1.22 0.07 0.00 0.66 0.00 0.00 46.19 45.70 3gut s LEU 342 CO 0.06 0.18 0.43 -1.58 -1.89 0.00 0.00 176.35 173.55 3gut s GLN 343 N -2.04 0.39 0.13 1.98 0.74 -0.70 -4.94 119.66 115.22 3gut s GLN 343 Ca 0.14 0.87 -0.30 0.00 0.05 0.00 0.00 55.36 56.12 3gut s GLN 343 Cb -0.10 0.07 -0.07 0.00 1.10 0.00 0.00 33.01 34.01 3gut s GLN 343 CO 0.06 -0.18 1.19 0.42 -0.55 0.00 0.00 175.29 176.22 3gut s ILE 344 N 1.70 3.81 -0.26 -2.34 1.01 -1.26 -0.27 121.20 123.60 3gut s ILE 344 Ca -0.08 1.42 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 3gut s ILE 344 Cb -0.09 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 3gut s ILE 344 CO -0.13 0.18 -0.19 0.18 0.00 0.00 0.00 174.94 174.98 3gut n LEU 345 N 3.10 2.11 -3.76 2.97 4.32 0.28 -4.89 117.00 121.13 3gut n LEU 345 Ca 0.06 0.29 -0.29 0.00 -0.02 0.00 0.00 56.01 56.04 3gut n LEU 345 Cb 0.46 -0.88 -0.16 0.00 -1.62 0.00 0.00 43.42 41.22 3gut n LEU 345 CO 0.55 0.58 -0.35 -0.70 -1.22 0.00 0.00 177.39 176.25 3gut s GLU 346 N -2.48 0.82 0.57 3.23 2.12 -0.36 -4.96 118.70 117.64 3gut s GLU 346 Ca -0.36 -0.85 -0.21 0.00 0.36 0.00 0.00 54.97 53.92 3gut s GLU 346 Cb 0.12 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 3gut s GLU 346 CO 0.54 -0.82 1.28 1.04 -0.54 0.00 0.00 175.26 176.76 3gut n GLN 347 N 4.89 1.44 -1.06 4.30 1.13 -1.26 -2.25 117.38 124.56 3gut n GLN 347 Ca -0.06 0.54 -0.30 0.00 -1.94 0.00 0.00 57.00 55.24 3gut n GLN 347 Cb 0.44 -2.49 0.15 0.00 0.11 0.00 0.00 30.24 28.45 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 -2.95 1.16 0.01 -1.09 0.04 -1.26 0.17 135.00 131.07 3gut s PRO 348 Ca 0.75 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 3gut s PRO 348 Cb -0.41 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3gut s PRO 348 CO 0.47 -2.36 1.02 0.21 0.04 0.00 0.00 177.00 176.38 3gut s LYS 349 N -4.83 4.53 0.15 4.56 2.20 0.34 -3.90 119.74 122.79 3gut s LYS 349 Ca 0.64 1.48 -0.16 0.00 -0.36 0.00 0.00 55.97 57.57 3gut s LYS 349 Cb -0.19 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3gut s LYS 349 CO 0.58 -0.10 1.77 1.96 -0.36 0.00 0.00 175.35 179.20 3gut h GLN 350 N 6.82 0.60 -5.64 4.03 4.20 -1.89 -3.46 115.11 119.77 3gut h GLN 350 Ca -0.41 -0.06 -0.54 0.00 0.06 0.00 0.00 58.65 57.70 3gut h GLN 350 Cb 1.22 -0.12 -0.14 0.00 0.30 0.00 0.00 27.48 28.74 3gut h GLN 350 CO 0.77 0.46 -0.67 1.03 -0.67 0.00 0.00 178.83 179.74 3gut s ARG 351 N -5.94 1.67 0.00 1.46 0.52 -1.26 -1.94 118.95 113.46 3gut s ARG 351 Ca -0.13 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.22 3gut s ARG 351 Cb 0.11 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.24 3gut s ARG 351 CO 0.74 0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.52 3gut n GLY 352 N -0.68 2.97 3.81 -3.53 0.00 -1.26 -5.02 105.19 101.47 3gut n GLY 352 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.86 3.50 -0.15 1.61 5.36 -1.26 -4.74 117.98 119.44 3gut s PHE 353 Ca 0.00 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 57.56 3gut s PHE 353 Cb 0.00 -2.84 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 3gut s PHE 353 CO 0.00 0.07 -0.02 0.50 -1.46 0.00 0.00 175.22 174.31 3gut s ARG 354 N -2.61 3.59 0.40 10.12 3.52 -1.26 -0.67 118.95 132.04 3gut s ARG 354 Ca 0.55 -0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 55.44 3gut s ARG 354 Cb -0.14 -2.93 -0.10 0.00 -1.56 0.00 0.00 34.95 30.22 3gut s ARG 354 CO 0.18 0.32 0.97 -0.06 -0.81 0.00 0.00 175.30 175.90 3gut s PHE 355 N 0.16 3.41 0.08 5.12 0.08 -1.26 -4.72 117.98 120.85 3gut s PHE 355 Ca -0.00 1.67 0.10 0.00 0.12 0.00 0.00 56.93 58.81 3gut s PHE 355 Cb -0.13 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 3gut s PHE 355 CO 0.02 -0.11 -0.26 1.03 -0.10 0.00 0.00 175.22 175.80 3gut s ARG 356 N -2.74 1.59 0.24 0.44 1.81 0.37 -4.88 118.95 115.79 3gut s ARG 356 Ca 0.58 -1.21 -0.05 0.00 -1.72 0.00 0.00 55.73 53.33 3gut s ARG 356 Cb -0.14 -1.91 -0.06 0.00 -0.45 0.00 0.00 34.95 32.39 3gut s ARG 356 CO 0.19 0.48 0.50 0.71 -0.68 0.00 0.00 175.30 176.50 3gut s TYR 357 N -0.93 3.47 0.14 -0.53 1.51 -1.26 0.00 117.35 119.75 3gut s TYR 357 Ca 0.12 0.64 -0.27 0.00 -1.01 0.00 0.00 57.07 56.56 3gut s TYR 357 Cb -0.10 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 3gut s TYR 357 CO 0.04 0.26 1.46 0.28 -1.11 0.00 0.00 175.55 176.48 3gut n VAL 358 N -0.56 -0.58 0.00 0.71 0.31 -1.26 0.63 118.33 117.58 3gut n VAL 358 Ca -0.02 2.28 0.00 0.00 -0.01 0.00 0.00 64.34 66.60 3gut n VAL 358 Cb 0.53 -2.84 0.00 0.00 -0.91 0.00 0.00 33.84 30.62 3gut n VAL 358 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gut n GLU 360 N -0.56 0.19 0.00 0.00 1.02 0.21 -5.08 120.64 116.42 3gut n GLU 360 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3gut n GLU 360 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 1.41 0.65 4.02 0.62 0.00 -0.84 -5.03 105.19 106.02 3gut n GLY 361 Ca 0.03 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.14 2.26 0.00 1.61 0.04 -1.26 -4.88 135.00 131.62 3gut s PRO 362 Ca 0.00 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.56 3gut s PRO 362 Cb 0.00 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3gut s PRO 362 CO 0.00 -0.90 0.00 0.43 0.04 0.00 0.00 177.00 176.57 3gut n SER 363 N -2.31 -4.81 0.00 6.66 7.64 -1.26 -4.93 113.62 114.61 3gut n SER 363 Ca 0.15 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.50 3gut n SER 363 Cb 0.61 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.57 0.00 0.00 1.43 8.25 -1.26 -5.08 115.22 120.13 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 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.38 4.23 3.89 -1.41 0.00 -1.26 -5.10 105.19 105.92 3gut n GLY 365 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 1.62 0.00 -0.02 0.00 -1.26 -4.54 107.32 103.12 3gut s GLY 366 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3gut s GLY 366 CO 0.00 -0.09 0.00 -0.10 0.00 0.00 0.00 173.10 172.91 3gut n LEU 367 N -2.84 0.00 0.00 0.66 -0.00 -0.31 -4.82 117.00 109.69 3gut n LEU 367 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 3gut n LEU 367 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3gut n LEU 367 CO 0.56 0.00 0.00 -2.65 -0.00 0.00 0.00 177.39 175.30 3gut n PRO 368 N 0.00 0.00 -2.19 1.96 -0.02 -1.26 -4.80 135.00 128.69 3gut n PRO 368 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 3gut n PRO 368 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 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 0.00 2.68 0.58 -1.23 0.00 -0.76 0.13 107.32 108.71 3gut s GLY 369 Ca 0.00 0.89 0.29 0.00 0.00 0.00 0.00 44.72 45.90 3gut s GLY 369 CO 0.00 1.27 2.23 0.00 0.00 0.00 0.00 173.10 176.61 3gut h ALA 370 N 1.24 1.53 0.00 3.20 0.00 0.15 -1.15 119.26 124.24 3gut h ALA 370 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gut h ALA 370 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gut h ALA 370 CO 0.57 0.02 -1.11 0.43 0.00 0.00 0.00 179.25 179.15 3gut n SER 371 N -3.88 0.64 -4.53 0.00 7.64 -1.26 -4.86 113.62 107.37 3gut n SER 371 Ca -0.03 0.09 -0.51 0.00 1.01 0.00 0.00 58.87 59.44 3gut n SER 371 Cb 0.10 0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 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 -2.33 0.59 -4.47 6.43 2.88 -0.43 -4.84 113.62 111.44 3gut n SER 372 Ca 0.00 1.14 -0.22 0.00 -1.33 0.00 0.00 58.87 58.46 3gut n SER 372 Cb 0.51 -1.11 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.43 1.67 0.18 -1.46 0.41 -0.00 -4.88 118.70 114.18 3gut s GLU 373 Ca 0.75 -1.90 0.24 0.00 -0.41 0.00 0.00 54.97 53.64 3gut s GLU 373 Cb -0.95 -1.07 0.91 0.00 -1.78 0.00 0.00 34.13 31.23 3gut s GLU 373 CO 0.54 -0.10 1.73 1.17 -0.49 0.00 0.00 175.26 178.11 3gut n LYS 374 N -0.70 0.17 -0.09 1.61 3.00 -1.26 -3.02 118.16 117.87 3gut n LYS 374 Ca -0.04 0.28 -0.10 0.00 -0.00 0.00 0.00 58.31 58.45 3gut n LYS 374 Cb 0.66 -1.76 -0.03 0.00 0.00 0.00 0.00 35.03 33.90 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 -2.06 1.92 -4.34 3.14 3.02 -1.26 -4.78 115.26 110.90 3gut n ASN 375 Ca 0.04 0.38 -0.46 0.00 -0.03 0.00 0.00 54.58 54.50 3gut n ASN 375 Cb 0.30 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.78 3.48 -0.03 3.52 2.47 -1.23 -5.04 119.74 120.13 3gut s LYS 376 Ca -0.27 -2.23 -0.29 0.00 -1.56 0.00 0.00 55.97 51.62 3gut s LYS 376 Cb 0.04 -4.44 -0.03 0.00 -1.46 0.00 0.00 37.83 31.95 3gut s LYS 376 CO 0.40 -1.35 0.93 0.15 0.16 0.00 0.00 175.35 175.65 3gut s LYS 377 N 0.72 4.51 0.39 4.03 1.02 -1.17 -0.82 119.74 128.42 3gut s LYS 377 Ca 0.16 1.31 0.06 0.00 0.02 0.00 0.00 55.97 57.52 3gut s LYS 377 Cb -0.14 -3.47 -0.08 0.00 -0.52 0.00 0.00 37.83 33.63 3gut s LYS 377 CO -0.06 -0.07 0.02 -1.54 -0.92 0.00 0.00 175.35 172.77 3gut s SER 378 N 0.99 3.53 0.10 2.83 1.04 -1.26 -4.91 113.70 116.01 3gut s SER 378 Ca 0.49 -1.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 3gut s SER 378 Cb -0.20 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 3gut s SER 378 CO 0.25 -0.48 0.09 -0.31 0.98 0.00 0.00 173.24 173.77 3gut s TYR 379 N -2.84 0.50 0.44 5.02 2.02 -1.26 -1.84 117.35 119.39 3gut s TYR 379 Ca 0.35 -0.96 -0.22 0.00 -0.37 0.00 0.00 57.07 55.88 3gut s TYR 379 Cb 0.09 -0.29 -0.13 0.00 -0.40 0.00 0.00 41.96 41.24 3gut s TYR 379 CO 0.17 -0.50 0.47 -2.30 -1.57 0.00 0.00 175.55 171.83 3gut n PRO 380 N -0.03 0.49 -3.66 -1.71 -0.02 -1.26 -4.68 135.00 124.13 3gut n PRO 380 Ca -0.11 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3gut n PRO 380 Cb 0.62 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.55 0.64 0.23 -0.52 0.74 -0.96 -1.36 119.66 116.87 3gut s GLN 381 Ca 0.63 1.02 0.07 0.00 0.05 0.00 0.00 55.36 57.14 3gut s GLN 381 Cb -0.59 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 33.63 3gut s GLN 381 CO 0.58 -0.13 -0.11 0.14 -0.55 0.00 0.00 175.29 175.22 3gut s VAL 382 N 1.23 1.70 -0.02 1.34 -7.23 0.88 0.10 120.40 118.39 3gut s VAL 382 Ca -0.07 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 57.90 3gut s VAL 382 Cb -0.06 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.72 3gut s VAL 382 CO -0.13 -0.49 0.05 -0.75 -0.31 0.00 0.00 175.10 173.48 3gut s LYS 383 N -3.68 0.02 -0.30 4.82 2.20 0.63 0.38 119.74 123.82 3gut s LYS 383 Ca 0.25 0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.78 3gut s LYS 383 Cb 0.01 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.23 3gut s LYS 383 CO 0.09 -0.09 0.78 0.42 -0.36 0.00 0.00 175.35 176.19 3gut s ILE 384 N 0.56 4.81 0.23 5.43 1.01 -0.37 -1.72 121.20 131.14 3gut s ILE 384 Ca -0.04 1.20 0.06 0.00 0.00 0.00 0.00 60.65 61.87 3gut s ILE 384 Cb -0.06 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3gut s ILE 384 CO -0.02 -0.22 0.21 0.00 0.00 0.00 0.00 174.94 174.91 3gut n ASN 386 N -1.05 -5.29 0.00 0.00 4.13 -1.26 -3.44 115.26 108.35 3gut n ASN 386 Ca -0.08 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.54 3gut n ASN 386 Cb 0.57 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 3gut n ASN 386 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gut n TYR 387 N -4.81 0.00 -3.68 3.10 9.36 -1.26 -4.48 117.16 115.40 3gut n TYR 387 Ca -0.02 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.99 3gut n TYR 387 Cb 0.56 0.00 -0.18 0.00 -0.63 0.00 0.00 39.34 39.09 3gut n TYR 387 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gut s VAL 388 N -0.50 -0.03 -4.70 2.97 1.01 -1.26 -4.94 120.40 112.95 3gut s VAL 388 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3gut s VAL 388 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3gut s VAL 388 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3gut n GLY 389 N 5.27 -2.02 3.55 4.51 0.00 -0.84 -4.94 105.19 110.73 3gut n GLY 389 Ca -0.04 -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 -0.41 0.34 -3.52 1.61 -0.02 -1.26 -4.38 135.00 127.36 3gut n PRO 390 Ca 0.00 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 3gut n PRO 390 Cb 0.00 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.93 -1.82 -0.10 3.55 0.00 -1.17 -4.54 121.76 115.74 3gut s ALA 391 Ca 0.69 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.85 3gut s ALA 391 Cb -0.33 0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3gut s ALA 391 CO 0.54 -0.53 -0.21 0.21 0.00 0.00 0.00 175.76 175.77 3gut s LYS 392 N -2.29 2.81 -0.05 0.00 2.20 0.34 -0.44 119.74 122.31 3gut s LYS 392 Ca -0.00 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3gut s LYS 392 Cb -0.01 -2.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 3gut s LYS 392 CO -0.03 0.10 -0.15 0.08 -0.36 0.00 0.00 175.35 174.99 3gut s VAL 393 N 0.53 1.32 0.11 4.02 1.01 -0.75 0.13 120.40 126.76 3gut s VAL 393 Ca -0.15 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3gut s VAL 393 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3gut s VAL 393 CO 0.05 0.39 -0.25 0.27 0.00 0.00 0.00 175.10 175.56 3gut s ILE 394 N 0.27 2.10 -0.17 2.22 -4.36 -0.19 -1.96 121.20 119.11 3gut s ILE 394 Ca -0.08 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 3gut s ILE 394 Cb -0.13 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.75 3gut s ILE 394 CO 0.03 0.09 -0.17 -0.69 0.24 0.00 0.00 174.94 174.44 3gut s VAL 395 N -1.05 1.83 0.11 8.37 1.01 0.18 -1.82 120.40 129.04 3gut s VAL 395 Ca 0.12 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3gut s VAL 395 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3gut s VAL 395 CO 0.05 0.49 -0.22 -1.10 0.00 0.00 0.00 175.10 174.32 3gut s GLN 396 N 1.38 1.18 0.30 2.72 -0.21 -0.38 -2.16 119.66 122.49 3gut s GLN 396 Ca 0.05 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.10 3gut s GLN 396 Cb -0.13 -1.47 -0.08 0.00 1.00 0.00 0.00 33.01 32.33 3gut s GLN 396 CO -0.12 0.34 0.66 -0.51 -2.12 0.00 0.00 175.29 173.54 3gut s LEU 397 N -1.99 4.07 0.22 2.90 1.43 -1.26 0.45 118.68 124.49 3gut s LEU 397 Ca 0.08 1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3gut s LEU 397 Cb -0.10 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 3gut s LEU 397 CO 0.05 -0.18 0.25 0.68 0.23 0.00 0.00 176.35 177.38 3gut s VAL 398 N -1.98 0.00 0.86 -1.59 -7.23 -0.41 -3.18 120.40 106.87 3gut s VAL 398 Ca 0.50 -1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 3gut s VAL 398 Cb -0.11 -2.41 0.11 0.00 0.56 0.00 0.00 36.38 34.54 3gut s VAL 398 CO 0.22 0.00 1.14 0.42 -0.31 0.00 0.00 175.10 176.57 3gut s THR 399 N -4.08 2.21 -0.29 5.32 -4.23 0.25 -2.44 115.64 112.37 3gut s THR 399 Ca 0.33 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 3gut s THR 399 Cb 0.04 -2.90 0.52 0.00 1.34 0.00 0.00 72.50 71.51 3gut s THR 399 CO 0.11 -0.09 1.50 -3.20 -0.54 0.00 0.00 174.62 172.41 3gut n ASN 400 N -3.56 2.74 -2.31 3.99 5.15 -1.26 -4.58 115.26 115.42 3gut n ASN 400 Ca 0.07 -3.68 -0.04 0.00 -0.60 0.00 0.00 54.58 50.33 3gut n ASN 400 Cb 0.59 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 39.22 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 -1.06 -0.14 0.21 8.20 0.00 -1.26 -4.99 105.19 106.15 3gut n GLY 401 Ca 0.34 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.67 -4.63 1.61 -0.00 -2.02 -3.39 116.57 108.81 3gut h LYS 402 Ca -0.05 -0.25 -0.70 0.00 -0.00 0.00 0.00 60.65 59.64 3gut h LYS 402 Cb 0.16 -0.04 -0.23 0.00 -0.00 0.00 0.00 32.23 32.12 3gut h LYS 402 CO 0.05 0.83 -0.51 -0.80 -0.00 0.00 0.00 179.45 179.01 3gut s ASN 403 N -6.27 5.75 0.26 7.07 -0.87 -1.26 -5.05 114.94 114.57 3gut s ASN 403 Ca -0.13 -0.85 -0.31 0.00 -1.57 0.00 0.00 52.86 50.00 3gut s ASN 403 Cb 0.09 -2.04 -0.13 0.00 -0.02 0.00 0.00 41.25 39.16 3gut s ASN 403 CO 0.80 -0.34 1.48 -0.38 -2.57 0.00 0.00 177.10 176.08 3gut n ILE 404 N 5.02 1.00 -3.93 0.60 2.08 -1.26 -4.93 119.36 117.94 3gut n ILE 404 Ca -0.12 -0.25 -0.10 0.00 0.56 0.00 0.00 62.75 62.84 3gut n ILE 404 Cb 0.47 -1.67 -0.10 0.00 -0.75 0.00 0.00 39.64 37.60 3gut n ILE 404 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3gut s HIS 405 N -0.05 0.18 0.70 1.39 3.76 -1.26 -4.60 115.29 115.41 3gut s HIS 405 Ca 0.66 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 3gut s HIS 405 Cb -0.59 -0.14 0.01 0.00 1.11 0.00 0.00 32.58 32.97 3gut s HIS 405 CO 0.49 -0.33 1.14 1.28 -0.85 0.00 0.00 174.74 176.47 3gut n LEU 406 N 1.01 4.69 -4.51 0.89 4.77 -1.22 0.85 117.00 123.48 3gut n LEU 406 Ca -0.20 0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 3gut n LEU 406 Cb 0.57 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.06 3gut n LEU 406 CO 0.22 -1.55 -0.44 -2.28 -1.33 0.00 0.00 177.39 172.01 3gut s HIS 407 N -1.67 2.74 0.47 -1.77 5.65 -1.19 -4.41 115.29 115.10 3gut s HIS 407 Ca 0.77 -0.14 0.25 0.00 0.25 0.00 0.00 55.06 56.20 3gut s HIS 407 Cb -0.36 -1.59 1.44 0.00 -1.18 0.00 0.00 32.58 30.89 3gut s HIS 407 CO 0.46 0.26 2.10 0.00 -0.65 0.00 0.00 174.74 176.92 3gut h ALA 408 N 4.93 1.46 -2.32 1.58 0.00 -1.92 -3.44 119.26 119.54 3gut h ALA 408 Ca -0.47 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 53.83 3gut h ALA 408 Cb 1.16 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 19.06 3gut h ALA 408 CO 0.51 0.12 0.32 -1.01 0.00 0.00 0.00 179.25 179.19 3gut s HIS 409 N -4.44 2.67 -0.03 0.00 3.76 -1.26 -4.71 115.29 111.29 3gut s HIS 409 Ca -0.04 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.42 3gut s HIS 409 Cb 0.14 -3.03 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 3gut s HIS 409 CO 0.60 -1.73 -0.21 -1.12 -0.85 0.00 0.00 174.74 171.43 3gut s SER 410 N -3.50 2.50 -0.46 1.40 0.01 -0.92 -4.83 113.70 107.91 3gut s SER 410 Ca 0.61 -0.40 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 3gut s SER 410 Cb -0.16 -0.48 0.02 0.00 0.21 0.00 0.00 66.02 65.61 3gut s SER 410 CO 0.56 0.23 1.21 -0.22 0.41 0.00 0.00 173.24 175.43 3gut s LEU 411 N -0.28 3.62 0.17 2.44 2.96 -1.15 -1.44 118.68 125.00 3gut s LEU 411 Ca 0.02 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.57 3gut s LEU 411 Cb -0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3gut s LEU 411 CO 0.01 -1.30 -0.04 0.54 -1.32 0.00 0.00 176.35 174.24 3gut s VAL 412 N 4.72 3.52 0.00 1.68 0.11 -0.52 -4.13 120.40 125.78 3gut s VAL 412 Ca 0.51 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 3gut s VAL 412 Cb -0.09 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 3gut s VAL 412 CO 0.32 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 3gut n GLY 413 N -0.01 0.13 3.66 6.54 0.00 -1.26 -0.78 105.19 113.47 3gut n GLY 413 Ca -0.10 -1.66 -0.48 0.00 0.00 0.00 0.00 46.02 43.78 3gut n GLY 413 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gut n LYS 414 N 0.00 2.16 -1.67 1.61 4.81 -1.16 -1.91 118.16 122.01 3gut n LYS 414 Ca 0.00 0.78 -0.21 0.00 -0.87 0.00 0.00 58.31 58.01 3gut n LYS 414 Cb 0.00 -2.70 -0.08 0.00 0.02 0.00 0.00 35.03 32.27 3gut n LYS 414 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3gut n HIS 415 N 7.19 -0.11 -4.28 5.64 8.25 -1.26 -4.84 115.22 125.80 3gut n HIS 415 Ca 0.24 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.35 3gut n HIS 415 Cb 0.31 -3.50 -0.09 0.00 1.12 0.00 0.00 29.99 27.83 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 -0.82 0.56 -1.39 0.00 2.12 -0.42 -4.63 118.70 114.13 3gut s GLU 417 Ca 0.13 0.97 -0.07 0.00 0.36 0.00 0.00 54.97 56.36 3gut s GLU 417 Cb -0.12 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.40 3gut s GLU 417 CO 0.02 -0.14 0.97 -0.25 -0.54 0.00 0.00 175.26 175.32 3gut n ASP 418 N 4.08 -3.96 0.00 -1.70 8.00 -1.26 -1.06 116.55 120.65 3gut n ASP 418 Ca -0.21 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3gut n ASP 418 Cb 0.57 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 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 -1.67 0.16 3.22 0.44 0.00 -1.26 -4.93 105.19 101.14 3gut n GLY 419 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.34 2.07 -0.23 1.61 1.01 -0.22 -2.96 120.40 120.34 3gut s VAL 420 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 3gut s VAL 420 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3gut s VAL 420 CO 0.00 0.56 0.48 0.00 0.00 0.00 0.00 175.10 176.14 3gut s THR 422 N 1.83 0.16 0.24 0.00 2.01 -0.83 0.52 115.64 119.57 3gut s THR 422 Ca 0.21 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.48 3gut s THR 422 Cb -0.15 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3gut s THR 422 CO 0.09 0.21 0.01 0.68 -0.69 0.00 0.00 174.62 174.92 3gut s VAL 423 N 1.88 0.97 -0.07 3.82 -7.23 -0.83 -4.83 120.40 114.11 3gut s VAL 423 Ca 0.02 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3gut s VAL 423 Cb -0.12 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3gut s VAL 423 CO -0.04 -0.27 -0.06 0.42 -0.31 0.00 0.00 175.10 174.84 3gut s THR 424 N -3.46 3.78 -0.66 5.32 -4.23 -1.26 -1.81 115.64 113.31 3gut s THR 424 Ca 0.30 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 60.15 3gut s THR 424 Cb 0.06 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.43 3gut s THR 424 CO 0.10 0.60 0.91 0.00 -0.54 0.00 0.00 174.62 175.68 3gut s ALA 425 N -0.77 3.21 0.18 3.99 0.00 0.42 -4.97 121.76 123.82 3gut s ALA 425 Ca 0.12 -2.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.01 3gut s ALA 425 Cb -0.11 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3gut s ALA 425 CO 0.02 -2.68 -0.08 0.41 0.00 0.00 0.00 175.76 173.43 3gut n GLY 426 N 5.32 -1.06 0.23 0.00 0.00 -1.22 -3.06 105.19 105.40 3gut n GLY 426 Ca -0.03 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 0.00 0.00 1.61 0.13 -1.95 -3.32 132.00 128.42 3gut h PRO 427 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3gut h PRO 427 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 3gut h PRO 427 CO 0.12 0.00 -0.63 1.63 -0.23 0.00 0.00 178.00 178.89 3gut n LYS 428 N -2.58 1.47 -3.07 0.86 5.02 -1.26 -1.98 118.16 116.62 3gut n LYS 428 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3gut n LYS 428 Cb 0.08 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3gut n LYS 428 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gut s ASP 429 N -2.83 6.35 -0.21 4.39 -1.08 -1.25 -4.87 116.67 117.16 3gut s ASP 429 Ca 0.00 -0.28 0.09 0.00 -0.52 0.00 0.00 52.55 51.83 3gut s ASP 429 Cb 0.00 -2.34 0.58 0.00 -1.46 0.00 0.00 42.92 39.70 3gut s ASP 429 CO 0.00 -0.82 1.49 0.23 0.52 0.00 0.00 175.17 176.59 3gut n MET 430 N 6.39 3.42 -4.29 4.34 2.81 -1.26 -3.43 117.12 125.10 3gut n MET 430 Ca -0.01 -2.31 -0.34 0.00 -1.81 0.00 0.00 57.70 53.24 3gut n MET 430 Cb 0.48 -2.02 -0.14 0.00 -0.71 0.00 0.00 33.22 30.82 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 -2.34 3.21 -0.07 2.03 1.01 -1.26 -1.24 120.40 121.74 3gut s VAL 431 Ca 0.41 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3gut s VAL 431 Cb 0.32 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3gut s VAL 431 CO 0.11 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.76 3gut s VAL 432 N 0.95 2.22 0.37 2.92 1.01 0.16 -4.96 120.40 123.07 3gut s VAL 432 Ca -0.01 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.05 3gut s VAL 432 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3gut s VAL 432 CO -0.00 0.57 0.24 -0.83 0.00 0.00 0.00 175.10 175.08 3gut s GLY 433 N -0.04 2.04 -0.41 4.51 0.00 -1.26 -0.08 107.32 112.07 3gut s GLY 433 Ca -0.07 -1.86 0.03 0.00 0.00 0.00 0.00 44.72 42.82 3gut s GLY 433 CO 0.05 -1.74 0.31 -1.36 0.00 0.00 0.00 173.10 170.36 3gut s PHE 434 N -2.45 1.15 0.63 1.90 0.08 -0.47 -4.96 117.98 113.86 3gut s PHE 434 Ca 0.42 -2.18 -0.01 0.00 0.12 0.00 0.00 56.93 55.28 3gut s PHE 434 Cb -0.02 -1.05 0.07 0.00 -0.57 0.00 0.00 43.02 41.45 3gut s PHE 434 CO 0.25 -0.81 0.88 0.00 -0.10 0.00 0.00 175.22 175.44 3gut s ALA 435 N 0.28 3.70 -1.23 5.36 0.00 -1.26 -4.23 121.76 124.38 3gut s ALA 435 Ca 0.28 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 3gut s ALA 435 Cb -0.05 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3gut s ALA 435 CO -0.13 -1.07 0.65 -1.71 0.00 0.00 0.00 175.76 173.50 3gut n ASN 436 N -2.60 -3.83 -4.39 0.00 4.05 -1.26 -4.68 115.26 102.55 3gut n ASN 436 Ca 0.10 -1.18 -0.33 0.00 0.45 0.00 0.00 54.58 53.62 3gut n ASN 436 Cb 0.60 -2.39 -0.14 0.00 1.23 0.00 0.00 39.78 39.08 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 -7.07 2.84 0.25 1.20 2.96 -1.26 -2.96 118.68 114.63 3gut s LEU 437 Ca 0.41 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 54.14 3gut s LEU 437 Cb -0.19 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3gut s LEU 437 CO 0.93 0.15 -0.15 -0.83 -1.32 0.00 0.00 176.35 175.13 3gut s GLY 438 N 0.44 1.79 -0.28 7.98 0.00 0.04 -1.16 107.32 116.12 3gut s GLY 438 Ca -0.08 -1.74 -0.03 0.00 0.00 0.00 0.00 44.72 42.87 3gut s GLY 438 CO 0.04 -1.80 0.00 -0.42 0.00 0.00 0.00 173.10 170.92 3gut s ILE 439 N -2.21 3.22 -0.20 0.90 -1.09 -1.26 -1.43 121.20 119.13 3gut s ILE 439 Ca 0.28 -1.07 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 3gut s ILE 439 Cb -0.06 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3gut s ILE 439 CO 0.15 0.05 0.82 -0.22 -1.23 0.00 0.00 174.94 174.51 3gut s LEU 440 N 1.35 4.14 -0.50 2.97 2.96 -0.52 -0.48 118.68 128.59 3gut s LEU 440 Ca -0.01 1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 54.84 3gut s LEU 440 Cb -0.18 -3.20 0.09 0.00 0.50 0.00 0.00 46.19 43.41 3gut s LEU 440 CO -0.01 -0.44 0.45 -2.28 -1.32 0.00 0.00 176.35 172.75 3gut s HIS 441 N 2.41 3.23 0.50 5.38 5.65 0.10 -2.17 115.29 130.38 3gut s HIS 441 Ca 0.36 -1.02 -0.23 0.00 0.25 0.00 0.00 55.06 54.42 3gut s HIS 441 Cb -0.16 -3.41 -0.06 0.00 -1.18 0.00 0.00 32.58 27.77 3gut s HIS 441 CO 0.10 -0.89 1.34 0.14 -0.65 0.00 0.00 174.74 174.78 3gut s VAL 442 N 1.71 2.28 0.86 0.89 -7.23 -1.26 -4.47 120.40 113.19 3gut s VAL 442 Ca 0.05 0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 3gut s VAL 442 Cb -0.26 -3.12 0.11 0.00 0.56 0.00 0.00 36.38 33.67 3gut s VAL 442 CO 0.06 0.01 1.10 0.42 -0.31 0.00 0.00 175.10 176.37 3gut s THR 443 N -1.31 2.81 0.14 5.32 -4.23 -1.26 -4.90 115.64 112.20 3gut s THR 443 Ca 0.66 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.27 3gut s THR 443 Cb -0.39 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 3gut s THR 443 CO 0.48 -0.34 1.73 0.50 -0.54 0.00 0.00 174.62 176.45 3gut h LYS 444 N -1.49 0.56 0.00 3.99 3.64 -2.01 -2.81 116.57 118.45 3gut h LYS 444 Ca -0.47 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3gut h LYS 444 Cb 1.26 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3gut h LYS 444 CO 0.51 0.47 -0.01 0.87 -2.27 0.00 0.00 179.45 179.02 3gut h LYS 445 N 0.50 0.00 -0.31 1.90 1.57 -2.04 -2.93 116.57 115.26 3gut h LYS 445 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3gut h LYS 445 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3gut h LYS 445 CO -0.02 0.01 0.01 1.63 -0.57 0.00 0.00 179.45 180.51 3gut n LYS 446 N -3.13 2.86 -0.03 3.15 5.02 -1.08 -4.68 118.16 120.27 3gut n LYS 446 Ca -0.01 -2.91 -0.15 0.00 -2.02 0.00 0.00 58.31 53.22 3gut n LYS 446 Cb 0.23 -1.88 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 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 1.78 1.43 0.59 -0.18 2.07 -1.35 -2.94 116.25 117.65 3gut h VAL 447 Ca 0.05 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 3gut h VAL 447 Cb 1.54 2.33 0.01 0.00 -1.52 0.00 0.00 31.29 33.65 3gut h VAL 447 CO 0.28 0.48 -0.29 0.15 0.02 0.00 0.00 177.57 178.22 3gut h PHE 448 N -0.21 -0.74 -0.05 1.57 3.04 -1.83 -2.13 116.94 116.59 3gut h PHE 448 Ca -0.02 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 3gut h PHE 448 Cb 0.92 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.67 3gut h PHE 448 CO 0.13 -0.41 -0.04 1.05 -2.02 0.00 0.00 178.31 177.03 3gut h GLU 449 N -1.01 0.07 0.00 1.11 4.11 -1.89 -0.93 114.58 116.04 3gut h GLU 449 Ca -0.08 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 3gut h GLU 449 Cb 0.67 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3gut h GLU 449 CO 0.13 0.11 -0.58 1.15 0.07 0.00 0.00 179.01 179.90 3gut h THR 450 N 0.07 0.89 0.00 -1.06 2.02 -1.56 -2.74 112.91 110.53 3gut h THR 450 Ca 0.02 -2.27 -0.19 0.00 0.77 0.00 0.00 66.41 64.74 3gut h THR 450 Cb 0.12 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3gut h THR 450 CO 0.01 0.51 -0.90 0.25 0.37 0.00 0.00 175.52 175.75 3gut h LEU 451 N 0.00 0.00 -0.06 2.58 7.12 -0.61 -2.61 115.31 121.74 3gut h LEU 451 Ca -0.01 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.92 3gut h LEU 451 Cb 1.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 3gut h LEU 451 CO 0.07 0.90 -0.26 -0.08 -0.13 0.00 0.00 178.44 178.93 3gut h GLU 452 N 0.00 0.28 -0.81 1.25 4.81 -1.25 -2.79 114.58 116.07 3gut h GLU 452 Ca -0.01 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3gut h GLU 452 Cb 1.63 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 3gut h GLU 452 CO 0.12 0.87 0.53 0.00 -0.73 0.00 0.00 179.01 179.80 3gut h ALA 453 N 0.41 1.46 -0.16 2.92 0.00 -1.51 -2.29 119.26 120.10 3gut h ALA 453 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3gut h ALA 453 Cb 0.92 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gut h ALA 453 CO 0.05 0.48 -0.58 0.00 0.00 0.00 0.00 179.25 179.20 3gut h ARG 454 N 1.05 0.50 -0.00 0.00 2.47 -1.48 -2.37 114.38 114.55 3gut h ARG 454 Ca 0.31 -0.33 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 3gut h ARG 454 Cb -0.05 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3gut h ARG 454 CO -0.08 0.94 -0.65 0.52 0.56 0.00 0.00 179.97 181.27 3gut h MET 455 N 0.38 0.02 0.11 0.04 2.86 -1.22 -2.00 114.93 115.12 3gut h MET 455 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3gut h MET 455 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3gut h MET 455 CO 0.11 0.66 -0.05 1.15 1.06 0.00 0.00 176.91 179.83 3gut h THR 456 N 0.01 1.10 -0.01 2.22 2.02 -1.35 -1.31 112.91 115.59 3gut h THR 456 Ca -0.01 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3gut h THR 456 Cb 1.15 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3gut h THR 456 CO 0.09 0.23 0.01 -0.33 0.37 0.00 0.00 175.52 175.88 3gut h GLU 457 N -0.61 0.00 0.00 6.66 5.08 -1.44 -0.03 114.58 124.25 3gut h GLU 457 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3gut h GLU 457 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gut h GLU 457 CO 0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 179.01 177.60 3gut h ALA 458 N 1.99 0.78 0.00 3.43 0.00 -1.24 -2.84 119.26 121.38 3gut h ALA 458 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3gut h ALA 458 Cb 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gut h ALA 458 CO -0.00 0.37 -1.37 0.00 0.00 0.00 0.00 179.25 178.25 3gut h ILE 460 N 0.00 1.59 0.00 0.00 2.04 -1.12 -3.26 117.51 116.76 3gut h ILE 460 Ca -0.01 -1.97 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 3gut h ILE 460 Cb 1.04 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 3gut h ILE 460 CO 0.00 0.53 -0.25 0.03 0.00 0.00 0.00 178.15 178.46 3gut h ARG 461 N -0.62 0.00 0.00 2.37 2.47 -1.67 -3.35 114.38 113.58 3gut h ARG 461 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3gut h ARG 461 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3gut h ARG 461 CO 0.03 0.25 0.00 0.41 0.56 0.00 0.00 179.97 181.22 3gut n GLY 462 N 0.69 0.66 3.52 0.04 0.00 -1.05 -3.95 105.19 105.10 3gut n GLY 462 Ca 0.02 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 2.97 -1.47 1.61 2.02 -0.06 -3.17 117.35 117.25 3gut s TYR 463 Ca 0.00 -1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 55.06 3gut s TYR 463 Cb 0.00 -4.55 0.07 0.00 -0.40 0.00 0.00 41.96 37.08 3gut s TYR 463 CO 0.00 -1.68 0.81 0.09 -1.57 0.00 0.00 175.55 173.20 3gut n ASN 464 N 7.48 -4.84 -0.32 2.29 4.13 -1.26 -4.85 115.26 117.89 3gut n ASN 464 Ca 0.38 -0.59 0.19 0.00 1.68 0.00 0.00 54.58 56.24 3gut n ASN 464 Cb 0.47 -3.90 0.45 0.00 -1.54 0.00 0.00 39.78 35.26 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 -1.71 0.50 -0.24 3.52 0.11 -1.78 -1.86 132.00 130.54 3gut h PRO 465 Ca -0.53 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.45 3gut h PRO 465 Cb 1.35 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3gut h PRO 465 CO 0.62 0.33 -0.26 0.78 -0.21 0.00 0.00 178.00 179.26 3gut h GLY 466 N 0.51 0.49 1.08 -0.55 0.00 -1.76 -1.33 103.07 101.52 3gut h GLY 466 Ca 0.57 -0.40 -0.32 0.00 0.00 0.00 0.00 47.33 47.18 3gut h GLY 466 CO -0.31 0.37 -1.64 1.41 0.00 0.00 0.00 176.54 176.36 3gut h LEU 467 N 0.40 0.46 0.03 3.11 4.07 -1.64 -3.30 115.31 118.44 3gut h LEU 467 Ca 0.06 -0.68 -0.37 0.00 0.08 0.00 0.00 57.88 56.98 3gut h LEU 467 Cb 0.66 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 3gut h LEU 467 CO 0.05 1.57 -2.24 0.18 -1.08 0.00 0.00 178.44 176.92 3gut n LEU 468 N -3.49 1.83 -0.09 1.67 4.77 -0.95 -4.74 117.00 116.01 3gut n LEU 468 Ca -0.20 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3gut n LEU 468 Cb 1.06 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3gut n LEU 468 CO 0.50 0.73 -0.53 0.52 -1.33 0.00 0.00 177.39 177.28 3gut n VAL 469 N -3.14 1.47 -3.64 4.08 0.31 -0.52 -3.37 118.33 113.52 3gut n VAL 469 Ca -0.35 0.09 -0.07 0.00 -0.01 0.00 0.00 64.34 63.99 3gut n VAL 469 Cb 1.06 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.38 -0.69 0.22 3.52 2.46 -1.10 -4.85 115.29 112.46 3gut s HIS 470 Ca -0.22 1.51 -0.12 0.00 0.47 0.00 0.00 55.06 56.69 3gut s HIS 470 Cb 0.04 0.41 0.28 0.00 -0.13 0.00 0.00 32.58 33.18 3gut s HIS 470 CO 0.37 -0.34 1.37 0.43 -2.47 0.00 0.00 174.74 174.11 3gut n SER 471 N 3.24 -0.48 -1.89 9.88 7.64 -1.24 -1.41 113.62 129.35 3gut n SER 471 Ca -0.16 1.53 -0.18 0.00 1.01 0.00 0.00 58.87 61.08 3gut n SER 471 Cb 0.57 -0.39 0.05 0.00 -1.01 0.00 0.00 64.21 63.43 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 -5.35 6.17 0.00 6.43 5.68 -1.26 -3.58 116.55 124.63 3gut n ASP 472 Ca 0.11 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 3gut n ASP 472 Cb 0.39 -1.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 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 0.16 0.90 0.00 -2.12 7.94 -0.50 -4.72 117.00 118.66 3gut n LEU 473 Ca 0.33 -0.90 0.02 0.00 -1.11 0.00 0.00 56.01 54.35 3gut n LEU 473 Cb 0.65 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.71 3gut n LEU 473 CO 0.40 0.22 0.56 0.00 -1.11 0.00 0.00 177.39 177.47 3gut n ALA 474 N -0.11 1.27 0.70 1.96 0.00 -1.24 -1.83 120.51 121.26 3gut n ALA 474 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3gut n ALA 474 Cb 0.16 -1.08 0.48 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.45 0.41 -2.99 0.00 0.18 -1.26 -4.29 117.16 107.75 3gut n TYR 475 Ca 0.01 0.13 -0.44 0.00 1.88 0.00 0.00 57.90 59.49 3gut n TYR 475 Cb 0.05 -0.71 0.00 0.00 -0.38 0.00 0.00 39.34 38.30 3gut n TYR 475 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3gut n LEU 476 N -1.85 5.43 -4.66 -3.48 4.77 -0.76 -5.00 117.00 111.46 3gut n LEU 476 Ca 0.05 -4.63 -0.35 0.00 -0.03 0.00 0.00 56.01 51.06 3gut n LEU 476 Cb 0.32 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.74 3gut n LEU 476 CO 0.24 0.94 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.87 3gut s GLN 477 N 0.71 3.59 -0.17 3.23 -1.52 -1.26 -4.41 119.66 119.83 3gut s GLN 477 Ca 0.40 -0.36 -0.07 0.00 -1.95 0.00 0.00 55.36 53.37 3gut s GLN 477 Cb -0.03 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.63 3gut s GLN 477 CO -0.01 0.45 1.09 0.00 -0.25 0.00 0.00 175.29 176.57 3gut n ALA 478 N 2.95 0.34 -2.46 6.09 0.00 -1.19 -3.69 120.51 122.54 3gut n ALA 478 Ca -0.18 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.63 3gut n ALA 478 Cb 0.53 -1.12 0.01 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 5.12 4.59 -1.46 0.00 -0.58 -1.26 -4.47 120.64 122.59 3gut n GLU 479 Ca 0.11 -4.04 -0.16 0.00 -0.42 0.00 0.00 57.16 52.65 3gut n GLU 479 Cb 0.41 -2.63 -0.07 0.00 -0.57 0.00 0.00 31.44 28.59 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 1.39 1.54 0.00 0.62 0.00 -1.26 -4.10 105.19 103.38 3gut n GLY 480 Ca 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.46 0.14 3.50 -0.02 0.00 -1.26 -5.04 105.19 102.05 3gut n GLY 481 Ca -0.16 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.29 2.68 -0.02 0.00 -1.24 -2.89 105.19 103.43 3gut n GLY 482 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 15.83 -6.60 0.00 1.61 9.92 -1.26 -4.38 116.55 131.66 3gut n ASP 483 Ca 0.43 0.08 0.01 0.00 -0.53 0.00 0.00 54.79 54.78 3gut n ASP 483 Cb 0.41 -4.41 0.05 0.00 -0.64 0.00 0.00 41.12 36.52 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 -1.26 0.01 -3.74 -1.24 0.63 -1.14 -4.24 116.66 105.68 3gut n ARG 484 Ca 0.03 0.40 -0.28 0.00 -0.92 0.00 0.00 57.85 57.07 3gut n ARG 484 Cb 0.46 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.85 0.71 0.21 -0.14 -0.21 -1.26 -5.00 119.66 111.11 3gut s GLN 485 Ca 0.01 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 3gut s GLN 485 Cb 0.01 -2.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 3gut s GLN 485 CO 0.04 -0.75 1.38 -0.51 -2.12 0.00 0.00 175.29 173.32 3gut s LEU 486 N 1.78 4.40 0.00 2.90 1.02 -1.26 -5.03 118.68 122.49 3gut s LEU 486 Ca 0.02 2.51 -0.02 0.00 0.02 0.00 0.00 54.13 56.66 3gut s LEU 486 Cb -0.17 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.45 3gut s LEU 486 CO -0.14 -0.62 0.10 0.35 0.02 0.00 0.00 176.35 176.06 3gut n THR 487 N 2.71 0.00 0.01 5.49 -2.24 -1.26 -4.91 114.28 114.08 3gut n THR 487 Ca 0.07 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 3gut n THR 487 Cb 0.41 -1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.95 0.00 1.34 3.42 5.19 -2.00 -3.17 116.42 120.25 3gut h ASP 488 Ca -0.04 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 3gut h ASP 488 Cb 0.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3gut h ASP 488 CO 0.03 0.86 -0.42 -0.09 -3.12 0.00 0.00 179.24 176.50 3gut h ARG 489 N 0.00 0.00 0.05 3.56 1.12 -2.00 -2.99 114.38 114.11 3gut h ARG 489 Ca -0.20 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.45 3gut h ARG 489 Cb 1.83 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.78 3gut h ARG 489 CO 0.08 0.42 -1.04 0.93 -3.11 0.00 0.00 179.97 177.25 3gut h GLU 490 N 0.00 0.15 0.00 0.20 5.08 -1.94 -2.92 114.58 115.15 3gut h GLU 490 Ca -0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3gut h GLU 490 Cb 1.21 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3gut h GLU 490 CO 0.05 1.06 -0.31 0.87 -1.00 0.00 0.00 179.01 179.69 3gut h LYS 491 N 0.06 0.00 0.01 2.33 1.57 -1.50 -2.61 116.57 116.43 3gut h LYS 491 Ca -0.06 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 3gut h LYS 491 Cb 1.75 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.08 3gut h LYS 491 CO 0.16 0.31 -1.05 0.93 -0.57 0.00 0.00 179.45 179.22 3gut h GLU 492 N 0.00 0.65 -0.64 3.15 4.39 -1.49 -1.64 114.58 119.00 3gut h GLU 492 Ca -0.00 -0.72 -0.00 0.00 0.34 0.00 0.00 59.36 58.97 3gut h GLU 492 Cb 0.60 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 3gut h GLU 492 CO 0.04 1.30 0.38 0.82 -1.16 0.00 0.00 179.01 180.40 3gut h ILE 493 N 0.36 1.19 0.26 3.13 1.08 -1.40 -1.07 117.51 121.06 3gut h ILE 493 Ca -0.13 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3gut h ILE 493 Cb 1.71 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 3gut h ILE 493 CO 0.20 0.20 -0.13 0.40 -0.69 0.00 0.00 178.15 178.13 3gut h ILE 494 N 0.87 0.73 -0.10 -0.67 1.08 -1.46 -0.57 117.51 117.39 3gut h ILE 494 Ca 0.23 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 3gut h ILE 494 Cb -0.02 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3gut h ILE 494 CO -0.04 0.00 0.07 0.03 -0.69 0.00 0.00 178.15 177.52 3gut h ARG 495 N -0.36 0.00 0.00 2.37 -0.00 -0.98 -0.35 114.38 115.06 3gut h ARG 495 Ca -0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.35 3gut h ARG 495 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.24 3gut h ARG 495 CO 0.05 0.00 -0.76 1.96 0.00 0.00 0.00 179.97 181.22 3gut h GLN 496 N 0.00 0.00 0.16 0.04 4.20 -0.79 -3.08 115.11 115.64 3gut h GLN 496 Ca 0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 3gut h GLN 496 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3gut h GLN 496 CO -0.00 0.32 -1.66 0.00 -0.67 0.00 0.00 178.83 176.82 3gut h ALA 497 N 1.60 0.21 0.45 3.87 0.00 -0.53 -3.14 119.26 121.71 3gut h ALA 497 Ca -0.05 -1.13 -0.02 0.00 0.00 0.00 0.00 54.91 53.71 3gut h ALA 497 Cb 1.35 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3gut h ALA 497 CO 0.04 1.08 -0.23 0.00 0.00 0.00 0.00 179.25 180.14 3gut h ALA 498 N 0.29 -0.62 -0.64 0.00 0.00 -1.19 0.54 119.26 117.65 3gut h ALA 498 Ca -0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3gut h ALA 498 Cb 2.07 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 20.09 3gut h ALA 498 CO 0.17 -0.86 0.22 -0.24 0.00 0.00 0.00 179.25 178.55 3gut h VAL 499 N -0.63 1.23 -0.21 0.00 3.04 -1.71 -1.92 116.25 116.06 3gut h VAL 499 Ca -0.06 -0.76 -0.16 0.00 -1.01 0.00 0.00 66.70 64.71 3gut h VAL 499 Cb 0.49 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 3gut h VAL 499 CO 0.09 0.30 -0.52 -0.61 -1.01 0.00 0.00 177.57 175.81 3gut h GLN 500 N 0.92 0.60 0.00 4.17 5.75 -1.47 -3.26 115.11 121.82 3gut h GLN 500 Ca 0.21 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 3gut h GLN 500 Cb 0.22 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.81 3gut h GLN 500 CO -0.01 0.97 -0.26 1.96 -2.65 0.00 0.00 178.83 178.84 3gut h GLN 501 N 0.46 0.00 0.00 1.69 4.20 -0.75 -3.34 115.11 117.38 3gut h GLN 501 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3gut h GLN 501 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3gut h GLN 501 CO 0.10 0.00 -0.07 1.79 -0.67 0.00 0.00 178.83 179.98 3gut h THR 502 N 0.00 0.00 0.00 -0.54 1.35 -1.39 -3.17 112.91 109.16 3gut h THR 502 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3gut h THR 502 Cb 0.99 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3gut h THR 502 CO 0.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.56 3gut n LYS 503 N -2.60 0.21 -3.05 4.72 2.85 -1.25 -4.03 118.16 115.01 3gut n LYS 503 Ca 0.05 0.33 -0.16 0.00 -1.05 0.00 0.00 58.31 57.48 3gut n LYS 503 Cb 0.48 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.22 0.95 -4.44 -1.58 -0.58 -1.20 -5.09 120.64 106.49 3gut n GLU 504 Ca 0.04 -2.91 -0.34 0.00 -0.42 0.00 0.00 57.16 53.53 3gut n GLU 504 Cb 0.31 -1.47 -0.14 0.00 -0.57 0.00 0.00 31.44 29.56 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 -1.48 3.40 -0.32 3.49 1.75 -1.24 -5.05 119.30 119.85 3gut s MET 505 Ca 0.34 -0.65 -0.24 0.00 -1.25 0.00 0.00 55.69 53.89 3gut s MET 505 Cb 0.31 -2.78 0.00 0.00 2.84 0.00 0.00 34.83 35.21 3gut s MET 505 CO -0.08 0.07 0.84 0.34 -0.65 0.00 0.00 175.02 175.54 3gut s ASP 506 N 0.74 6.69 0.00 1.11 -1.08 -1.26 -4.91 116.67 117.96 3gut s ASP 506 Ca -0.04 0.67 0.31 0.00 -0.52 0.00 0.00 52.55 52.97 3gut s ASP 506 Cb -0.15 -2.43 1.69 0.00 -1.46 0.00 0.00 42.92 40.57 3gut s ASP 506 CO 0.02 -0.68 2.12 0.18 0.52 0.00 0.00 175.17 177.33 3gut n LEU 507 N 6.36 0.11 -0.99 -1.34 4.32 -1.26 -3.57 117.00 120.63 3gut n LEU 507 Ca 0.05 0.07 0.06 0.00 -0.02 0.00 0.00 56.01 56.17 3gut n LEU 507 Cb 0.48 -0.11 0.25 0.00 -1.62 0.00 0.00 43.42 42.42 3gut n LEU 507 CO 0.52 0.02 0.72 -1.20 -1.22 0.00 0.00 177.39 176.24 3gut n SER 508 N -1.03 3.70 -3.66 -1.43 7.64 -1.26 -4.93 113.62 112.65 3gut n SER 508 Ca 0.20 -3.15 -0.14 0.00 1.01 0.00 0.00 58.87 56.79 3gut n SER 508 Cb 0.18 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 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 -2.91 0.00 0.21 0.44 1.01 -1.23 -2.76 120.40 115.16 3gut s VAL 509 Ca 0.43 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 3gut s VAL 509 Cb 0.36 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 3gut s VAL 509 CO 0.08 -0.02 0.40 0.54 0.00 0.00 0.00 175.10 176.10 3gut s VAL 510 N 0.02 0.02 0.04 2.92 0.11 -0.44 -4.70 120.40 118.39 3gut s VAL 510 Ca -0.02 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 57.62 3gut s VAL 510 Cb -0.04 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.76 3gut s VAL 510 CO 0.02 -0.11 0.06 -0.13 -3.33 0.00 0.00 175.10 171.62 3gut s ARG 511 N -4.00 0.58 0.04 1.54 0.52 -1.02 0.10 118.95 116.71 3gut s ARG 511 Ca 0.21 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3gut s ARG 511 Cb 0.01 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 3gut s ARG 511 CO 0.05 -0.14 0.21 -0.51 0.02 0.00 0.00 175.30 174.93 3gut s LEU 512 N -2.26 4.36 -0.09 2.53 1.43 -1.26 -1.29 118.68 122.11 3gut s LEU 512 Ca -0.03 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3gut s LEU 512 Cb 0.00 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.40 3gut s LEU 512 CO -0.06 0.20 -0.03 -0.32 0.23 0.00 0.00 176.35 176.37 3gut s MET 513 N -2.30 1.00 -0.01 1.70 1.75 0.17 -0.65 119.30 120.96 3gut s MET 513 Ca 0.32 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.69 3gut s MET 513 Cb -0.13 -1.23 -0.04 0.00 2.84 0.00 0.00 34.83 36.27 3gut s MET 513 CO 0.24 -0.28 0.13 -0.06 -0.65 0.00 0.00 175.02 174.41 3gut s PHE 514 N 1.83 3.43 -0.04 4.11 0.40 0.85 -1.25 117.98 127.32 3gut s PHE 514 Ca 0.05 0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.64 3gut s PHE 514 Cb -0.12 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.63 3gut s PHE 514 CO -0.06 0.61 0.10 0.99 0.70 0.00 0.00 175.22 177.55 3gut s THR 515 N -1.25 -0.01 -0.07 0.64 2.01 -0.76 -0.39 115.64 115.82 3gut s THR 515 Ca 0.25 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.33 3gut s THR 515 Cb -0.12 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 3gut s THR 515 CO 0.16 0.02 -0.20 0.00 -0.69 0.00 0.00 174.62 173.90 3gut s ALA 516 N 0.29 2.38 -0.12 7.40 0.00 -1.26 -1.02 121.76 129.42 3gut s ALA 516 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3gut s ALA 516 Cb -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3gut s ALA 516 CO -0.01 0.42 -0.18 -0.06 0.00 0.00 0.00 175.76 175.94 3gut s PHE 517 N -0.22 2.71 -0.02 0.00 0.08 0.34 -1.23 117.98 119.63 3gut s PHE 517 Ca -0.01 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.24 3gut s PHE 517 Cb -0.13 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3gut s PHE 517 CO 0.03 -0.30 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.30 3gut s LEU 518 N 0.36 3.30 0.30 -0.37 1.43 0.31 -0.50 118.68 123.50 3gut s LEU 518 Ca -0.14 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3gut s LEU 518 Cb -0.17 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 3gut s LEU 518 CO 0.07 0.31 1.34 -0.81 0.23 0.00 0.00 176.35 177.49 3gut n PRO 519 N 1.74 2.11 0.00 1.29 -0.04 -1.26 -1.04 135.00 137.80 3gut n PRO 519 Ca -0.16 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3gut n PRO 519 Cb 0.53 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 1.34 0.00 -0.22 3.54 3.85 -1.05 -4.82 116.55 119.20 3gut n ASP 520 Ca 0.07 0.00 -0.07 0.00 -0.71 0.00 0.00 54.79 54.08 3gut n ASP 520 Cb 0.34 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.14 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 0.84 0.71 -1.12 4.64 -1.96 -3.00 113.55 113.67 3gut h SER 521 Ca 0.00 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 3gut h SER 521 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3gut h SER 521 CO 0.00 0.79 -0.63 0.71 -0.87 0.00 0.00 176.83 176.83 3gut h THR 522 N 0.84 1.39 0.00 2.95 1.35 -2.03 -3.47 112.91 113.95 3gut h THR 522 Ca 0.20 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 3gut h THR 522 Cb 0.21 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3gut h THR 522 CO -0.02 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3gut n GLY 523 N 0.40 1.40 3.67 5.82 0.00 -1.13 -5.09 105.19 110.26 3gut n GLY 523 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 6.97 -0.83 1.61 0.01 -1.26 -4.51 113.70 113.69 3gut s SER 524 Ca 0.00 1.77 -0.25 0.00 1.31 0.00 0.00 55.95 58.78 3gut s SER 524 Cb 0.00 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 3gut s SER 524 CO 0.00 -0.70 2.20 -0.36 0.41 0.00 0.00 173.24 174.79 3gut s PHE 525 N 2.98 1.43 0.00 2.43 0.40 -1.26 -2.53 117.98 121.43 3gut s PHE 525 Ca 0.56 1.38 0.00 0.00 -0.60 0.00 0.00 56.93 58.27 3gut s PHE 525 Cb -0.23 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.59 3gut s PHE 525 CO 0.18 -1.67 0.00 0.25 0.70 0.00 0.00 175.22 174.68 3gut n THR 526 N 8.36 0.00 -2.48 0.64 -2.24 -1.19 -4.80 114.28 112.57 3gut n THR 526 Ca 0.43 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 3gut n THR 526 Cb 0.45 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.93 3.48 -0.08 -0.78 0.52 -0.20 -4.85 118.95 116.11 3gut s ARG 527 Ca 0.00 0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 55.48 3gut s ARG 527 Cb 0.00 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 3gut s ARG 527 CO 0.00 -1.71 0.57 0.50 0.02 0.00 0.00 175.30 174.68 3gut s ARG 528 N 5.07 4.37 0.08 3.54 3.52 -1.26 0.11 118.95 134.38 3gut s ARG 528 Ca 0.50 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3gut s ARG 528 Cb -0.09 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3gut s ARG 528 CO 0.27 0.16 0.19 -0.51 -0.81 0.00 0.00 175.30 174.60 3gut s LEU 529 N 0.56 4.20 -0.42 -0.88 1.43 -0.36 -4.99 118.68 118.22 3gut s LEU 529 Ca 0.31 0.17 -0.41 0.00 -1.03 0.00 0.00 54.13 53.16 3gut s LEU 529 Cb -0.16 -2.82 -0.16 0.00 0.03 0.00 0.00 46.19 43.07 3gut s LEU 529 CO 0.14 0.15 1.99 -0.62 0.23 0.00 0.00 176.35 178.24 3gut n GLU 530 N 0.17 0.50 -1.56 1.70 -0.58 -1.26 -4.37 120.64 115.24 3gut n GLU 530 Ca -0.06 0.16 -0.32 0.00 -0.42 0.00 0.00 57.16 56.51 3gut n GLU 530 Cb 0.52 -1.87 0.07 0.00 -0.57 0.00 0.00 31.44 29.59 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 5.12 2.54 0.03 3.49 0.04 -1.26 -4.48 135.00 140.47 3gut s PRO 531 Ca 1.11 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.57 3gut s PRO 531 Cb -1.25 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3gut s PRO 531 CO 0.64 -1.45 -0.17 0.54 0.04 0.00 0.00 177.00 176.61 3gut s VAL 532 N -2.48 1.32 0.08 -0.36 0.11 0.48 -4.97 120.40 114.58 3gut s VAL 532 Ca 0.66 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3gut s VAL 532 Cb -0.20 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 3gut s VAL 532 CO 0.46 0.14 0.13 0.68 -3.33 0.00 0.00 175.10 173.19 3gut s VAL 533 N -0.73 4.84 0.62 2.04 -7.23 -1.26 -0.10 120.40 118.57 3gut s VAL 533 Ca 0.04 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3gut s VAL 533 Cb -0.08 -3.35 0.12 0.00 0.56 0.00 0.00 36.38 33.63 3gut s VAL 533 CO 0.01 0.11 0.85 -1.54 -0.31 0.00 0.00 175.10 174.22 3gut n SER 534 N 0.33 1.37 -4.79 4.85 3.41 0.17 -4.99 113.62 113.97 3gut n SER 534 Ca -0.07 -2.10 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 3gut n SER 534 Cb 0.52 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 64.02 3gut n SER 534 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gut s ASP 535 N -4.53 4.62 0.41 4.04 -0.00 -1.26 -4.63 116.67 115.31 3gut s ASP 535 Ca 0.58 1.53 -0.22 0.00 -0.00 0.00 0.00 52.55 54.44 3gut s ASP 535 Cb -0.04 -2.29 -0.10 0.00 -0.00 0.00 0.00 42.92 40.49 3gut s ASP 535 CO 0.38 -1.92 0.96 0.00 -0.00 0.00 0.00 175.17 174.59 3gut s ALA 536 N -3.04 3.06 -0.06 5.23 0.00 -1.26 -4.35 121.76 121.34 3gut s ALA 536 Ca 0.60 0.47 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3gut s ALA 536 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3gut s ALA 536 CO 0.55 0.07 -0.11 0.42 0.00 0.00 0.00 175.76 176.70 3gut s ILE 537 N -2.01 3.38 -0.17 0.00 1.01 0.29 -4.60 121.20 119.11 3gut s ILE 537 Ca 0.60 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3gut s ILE 537 Cb -0.13 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3gut s ILE 537 CO 0.17 0.59 -0.19 -0.31 0.00 0.00 0.00 174.94 175.20 3gut s TYR 538 N -0.78 2.66 0.07 3.97 2.02 -0.82 -1.32 117.35 123.16 3gut s TYR 538 Ca 0.12 -1.53 -0.33 0.00 -0.37 0.00 0.00 57.07 54.96 3gut s TYR 538 Cb -0.11 -1.85 -0.12 0.00 -0.40 0.00 0.00 41.96 39.48 3gut s TYR 538 CO 0.01 -0.75 1.78 -3.47 -1.57 0.00 0.00 175.55 171.54 3gut n ASP 539 N 4.55 3.57 0.00 2.29 2.03 -1.11 -4.31 116.55 123.56 3gut n ASP 539 Ca -0.20 1.01 0.08 0.00 0.52 0.00 0.00 54.79 56.19 3gut n ASP 539 Cb 0.50 -1.45 0.45 0.00 -0.72 0.00 0.00 41.12 39.90 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 5.33 0.00 -0.01 1.67 3.41 0.16 -2.82 113.62 121.36 3gut n SER 540 Ca 0.19 -0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 58.31 3gut n SER 540 Cb 0.32 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 3gut n SER 540 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3gut n LYS 541 N -1.01 0.64 -1.68 4.33 4.81 -1.26 -4.44 118.16 119.54 3gut n LYS 541 Ca 0.11 0.20 -0.45 0.00 -0.87 0.00 0.00 58.31 57.31 3gut n LYS 541 Cb 0.05 -1.75 -0.04 0.00 0.02 0.00 0.00 35.03 33.32 3gut n LYS 541 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gut n ALA 542 N -2.50 1.67 -0.30 3.14 0.00 -1.13 -4.81 120.51 116.59 3gut n ALA 542 Ca -0.15 0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.76 3gut n ALA 542 Cb 0.95 -2.52 0.38 0.00 0.00 0.00 0.00 19.45 18.26 3gut n ALA 542 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gut h PRO 543 N 8.19 0.66 -1.01 0.00 0.11 -1.90 0.16 132.00 138.20 3gut h PRO 543 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3gut h PRO 543 Cb 1.24 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 3gut h PRO 543 CO 0.93 0.43 0.10 0.27 -0.21 0.00 0.00 178.00 179.53 3gut n ASN 544 N -4.62 3.14 0.00 -2.05 6.94 -1.26 -3.37 115.26 114.04 3gut n ASN 544 Ca 0.20 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3gut n ASN 544 Cb 0.56 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.27 0.00 -1.78 -2.53 0.00 0.34 -4.94 120.51 111.86 3gut n ALA 545 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 3gut n ALA 545 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 6.85 0.18 0.00 1.04 0.02 -4.77 113.70 117.02 3gut s SER 546 Ca 0.00 2.06 -0.32 0.00 0.48 0.00 0.00 55.95 58.18 3gut s SER 546 Cb 0.00 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.37 3gut s SER 546 CO 0.00 -0.43 0.98 -0.46 0.98 0.00 0.00 173.24 174.31 3gut n ASN 547 N 0.13 0.62 -4.87 7.02 0.23 -1.26 -4.97 115.26 112.14 3gut n ASN 547 Ca 0.04 1.15 -0.37 0.00 -0.53 0.00 0.00 54.58 54.87 3gut n ASN 547 Cb 0.49 -1.14 -0.06 0.00 -2.08 0.00 0.00 39.78 36.99 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 1.06 4.38 -0.20 -4.53 1.43 -1.26 -4.80 118.68 114.77 3gut s LEU 548 Ca 0.70 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 54.02 3gut s LEU 548 Cb -0.88 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 43.33 3gut s LEU 548 CO 0.55 0.40 0.65 -0.75 0.23 0.00 0.00 176.35 177.43 3gut s LYS 549 N -0.99 0.83 -0.23 1.70 2.20 -1.26 -4.35 119.74 117.65 3gut s LYS 549 Ca 0.15 0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 56.34 3gut s LYS 549 Cb -0.12 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3gut s LYS 549 CO 0.04 -0.15 0.35 0.42 -0.36 0.00 0.00 175.35 175.65 3gut s ILE 550 N -0.05 5.22 -0.07 5.43 1.09 -1.26 -3.00 121.20 128.56 3gut s ILE 550 Ca -0.03 0.58 -0.03 0.00 -1.10 0.00 0.00 60.65 60.07 3gut s ILE 550 Cb -0.04 -3.68 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 3gut s ILE 550 CO 0.03 0.24 -0.05 0.58 -0.10 0.00 0.00 174.94 175.64 3gut h VAL 551 N 5.12 0.00 -3.95 2.92 2.07 -1.56 -3.49 116.25 117.37 3gut h VAL 551 Ca -0.35 -0.55 -0.38 0.00 0.82 0.00 0.00 66.70 66.24 3gut h VAL 551 Cb 1.16 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.79 3gut h VAL 551 CO 0.69 0.00 -0.58 -0.60 0.02 0.00 0.00 177.57 177.09 3gut s ARG 552 N -1.51 1.50 -0.23 1.57 3.52 -1.21 -5.02 118.95 117.56 3gut s ARG 552 Ca -0.04 -1.83 -0.15 0.00 -0.13 0.00 0.00 55.73 53.57 3gut s ARG 552 Cb 0.01 -0.12 0.07 0.00 -1.56 0.00 0.00 34.95 33.34 3gut s ARG 552 CO 0.07 -0.39 0.57 -1.64 -0.81 0.00 0.00 175.30 173.10 3gut s MET 553 N -3.92 0.60 0.00 5.12 -1.94 -1.26 -2.18 119.30 115.72 3gut s MET 553 Ca 0.37 0.99 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 3gut s MET 553 Cb 0.06 0.13 0.00 0.00 2.01 0.00 0.00 34.83 37.03 3gut s MET 553 CO 0.16 -0.14 0.72 -0.40 -0.01 0.00 0.00 175.02 175.35 3gut n ASP 554 N 3.93 0.29 -3.15 3.03 5.68 -1.04 -4.57 116.55 120.71 3gut n ASP 554 Ca -0.20 -1.73 0.06 0.00 -0.50 0.00 0.00 54.79 52.42 3gut n ASP 554 Cb 0.57 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.67 0.14 -0.11 0.11 6.06 -1.26 -4.95 118.95 117.27 3gut s ARG 555 Ca 0.00 0.20 0.17 0.00 -2.50 0.00 0.00 55.73 53.61 3gut s ARG 555 Cb 0.00 0.11 0.69 0.00 0.06 0.00 0.00 34.95 35.81 3gut s ARG 555 CO 0.00 -0.20 1.59 0.25 -2.50 0.00 0.00 175.30 174.44 3gut n THR 556 N 5.33 1.74 -4.07 4.11 -2.24 -1.26 -4.90 114.28 112.99 3gut n THR 556 Ca -0.01 -1.11 -0.07 0.00 -2.27 0.00 0.00 64.05 60.59 3gut n THR 556 Cb 0.56 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.84 0.43 0.11 6.98 0.00 -1.26 -0.14 121.76 126.05 3gut s ALA 557 Ca 0.49 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 3gut s ALA 557 Cb 0.31 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.80 3gut s ALA 557 CO 0.23 -0.38 0.81 0.20 0.00 0.00 0.00 175.76 176.63 3gut s GLY 558 N -2.90 -0.40 0.83 0.00 0.00 0.34 -4.86 107.32 100.33 3gut s GLY 558 Ca 0.07 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 45.17 3gut s GLY 558 CO -0.10 0.15 1.09 0.00 0.00 0.00 0.00 173.10 174.24 3gut n VAL 560 N -3.68 0.05 0.04 0.00 0.24 -0.87 -3.14 118.33 110.98 3gut n VAL 560 Ca 0.08 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.29 3gut n VAL 560 Cb 0.54 -0.42 0.12 0.00 -1.47 0.00 0.00 33.84 32.61 3gut n VAL 560 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3gut h THR 561 N 0.00 1.33 -0.87 3.34 1.35 -1.87 0.46 112.91 116.65 3gut h THR 561 Ca 0.00 -1.71 0.10 0.00 -0.55 0.00 0.00 66.41 64.25 3gut h THR 561 Cb 0.52 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 3gut h THR 561 CO 0.00 0.52 -0.14 0.61 -0.25 0.00 0.00 175.52 176.27 3gut n GLY 562 N 0.08 -2.14 0.63 5.82 0.00 -1.19 -4.22 105.19 104.17 3gut n GLY 562 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.78 0.63 3.76 -0.02 0.00 -0.03 -4.91 105.19 102.85 3gut n GLY 563 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.79 4.39 -0.17 1.61 2.02 -1.26 -4.55 118.70 119.95 3gut s GLU 564 Ca 0.00 2.15 -0.17 0.00 0.02 0.00 0.00 54.97 56.97 3gut s GLU 564 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3gut s GLU 564 CO 0.00 -0.16 0.44 -2.00 0.02 0.00 0.00 175.26 173.56 3gut s GLU 565 N -1.46 4.25 0.08 1.61 2.12 -1.26 0.88 118.70 124.91 3gut s GLU 565 Ca 0.50 0.32 0.08 0.00 0.36 0.00 0.00 54.97 56.23 3gut s GLU 565 Cb -0.38 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 3gut s GLU 565 CO 0.49 0.04 -0.20 0.42 -0.54 0.00 0.00 175.26 175.47 3gut s ILE 566 N 1.04 1.66 -0.28 -3.70 1.09 0.24 -4.97 121.20 116.29 3gut s ILE 566 Ca 0.22 -1.40 -0.08 0.00 -1.10 0.00 0.00 60.65 58.29 3gut s ILE 566 Cb -0.15 -1.49 -0.02 0.00 -1.06 0.00 0.00 42.46 39.74 3gut s ILE 566 CO 0.09 0.03 0.11 -0.31 -0.10 0.00 0.00 174.94 174.75 3gut s TYR 567 N -1.03 3.13 -0.13 3.97 1.51 -1.26 -1.13 117.35 122.41 3gut s TYR 567 Ca 0.06 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3gut s TYR 567 Cb -0.10 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 3gut s TYR 567 CO 0.03 -0.39 -0.16 -1.17 -1.11 0.00 0.00 175.55 172.76 3gut s LEU 568 N 1.62 2.55 -0.09 -1.29 0.20 -0.28 -2.50 118.68 118.89 3gut s LEU 568 Ca 0.06 -0.40 -0.06 0.00 0.69 0.00 0.00 54.13 54.42 3gut s LEU 568 Cb -0.16 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 3gut s LEU 568 CO 0.05 0.15 0.16 -0.76 -0.29 0.00 0.00 176.35 175.66 3gut s LEU 569 N 0.42 4.39 0.00 -0.68 1.43 -0.93 0.68 118.68 123.99 3gut s LEU 569 Ca -0.12 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3gut s LEU 569 Cb -0.16 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3gut s LEU 569 CO 0.06 0.37 0.19 0.00 0.23 0.00 0.00 176.35 177.19 3gut s ASP 571 N -1.88 6.06 -0.27 0.00 1.11 -1.16 -4.69 116.67 115.84 3gut s ASP 571 Ca 0.12 0.05 -0.33 0.00 0.18 0.00 0.00 52.55 52.58 3gut s ASP 571 Cb -0.00 -1.54 -0.15 0.00 1.07 0.00 0.00 42.92 42.30 3gut s ASP 571 CO 0.09 -0.39 1.06 1.17 1.18 0.00 0.00 175.17 178.28 3gut n LYS 572 N -1.70 0.00 -4.08 8.23 0.00 -1.26 -4.75 118.16 114.60 3gut n LYS 572 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.21 3gut n LYS 572 Cb 0.57 -1.09 -0.10 0.00 0.00 0.00 0.00 35.03 34.41 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 1.60 0.21 -0.33 3.15 -7.23 -0.60 -4.90 120.40 112.30 3gut s VAL 573 Ca 0.74 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 3gut s VAL 573 Cb -1.05 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3gut s VAL 573 CO 0.55 -0.96 0.25 -1.58 -0.31 0.00 0.00 175.10 173.05 3gut s GLN 574 N -3.92 3.59 0.30 4.82 2.00 -1.26 -4.56 119.66 120.62 3gut s GLN 574 Ca 0.08 -0.55 0.06 0.00 -2.00 0.00 0.00 55.36 52.95 3gut s GLN 574 Cb 0.08 -3.78 0.78 0.00 0.80 0.00 0.00 33.01 30.89 3gut s GLN 574 CO -0.10 -0.41 1.70 1.57 -0.50 0.00 0.00 175.29 177.56 3gut h LYS 575 N 8.46 0.42 0.00 1.67 2.10 -1.91 -0.66 116.57 126.66 3gut h LYS 575 Ca -0.32 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3gut h LYS 575 Cb 1.16 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3gut h LYS 575 CO 0.63 0.28 -0.07 -0.25 -2.00 0.00 0.00 179.45 178.04 3gut n ASP 576 N -5.01 0.50 -1.25 7.07 8.00 -1.26 -4.08 116.55 120.52 3gut n ASP 576 Ca 0.24 0.48 -0.05 0.00 0.71 0.00 0.00 54.79 56.17 3gut n ASP 576 Cb 0.69 -0.58 0.12 0.00 -0.02 0.00 0.00 41.12 41.34 3gut n ASP 576 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gut n ASP 577 N -1.95 2.82 -4.06 -2.24 2.03 -0.26 -5.00 116.55 107.89 3gut n ASP 577 Ca 0.06 -3.66 -0.14 0.00 0.52 0.00 0.00 54.79 51.56 3gut n ASP 577 Cb 0.39 -0.45 -0.12 0.00 -0.72 0.00 0.00 41.12 40.23 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 -3.56 0.59 0.04 5.18 2.07 -1.20 -1.60 121.20 122.73 3gut s ILE 578 Ca 0.42 -0.97 -0.04 0.00 -1.41 0.00 0.00 60.65 58.65 3gut s ILE 578 Cb 0.38 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 3gut s ILE 578 CO -0.04 -0.28 0.05 0.00 -1.91 0.00 0.00 174.94 172.77 3gut s GLN 579 N -1.36 0.59 -0.33 3.50 -2.07 -0.51 -4.96 119.66 114.52 3gut s GLN 579 Ca -0.07 -0.89 -0.10 0.00 -1.82 0.00 0.00 55.36 52.48 3gut s GLN 579 Cb -0.09 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 3gut s GLN 579 CO 0.01 -0.14 0.17 0.42 -1.32 0.00 0.00 175.29 174.42 3gut s ILE 580 N -2.98 4.58 -0.16 3.63 1.09 -1.26 -1.45 121.20 124.64 3gut s ILE 580 Ca -0.02 -0.56 -0.04 0.00 -1.10 0.00 0.00 60.65 58.93 3gut s ILE 580 Cb 0.01 -3.40 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 3gut s ILE 580 CO -0.06 -0.02 -0.03 -0.60 -0.10 0.00 0.00 174.94 174.13 3gut s ARG 581 N 1.59 3.68 0.03 2.79 3.52 -0.55 -1.10 118.95 128.91 3gut s ARG 581 Ca 0.04 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3gut s ARG 581 Cb -0.18 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3gut s ARG 581 CO 0.06 0.21 0.06 -0.06 -0.81 0.00 0.00 175.30 174.76 3gut s PHE 582 N 0.45 3.19 -0.11 5.12 0.40 0.62 -1.27 117.98 126.37 3gut s PHE 582 Ca -0.03 0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 3gut s PHE 582 Cb -0.14 -1.67 0.12 0.00 0.51 0.00 0.00 43.02 41.83 3gut s PHE 582 CO 0.03 0.52 0.96 1.52 0.70 0.00 0.00 175.22 178.94 3gut s TYR 583 N -1.24 -0.37 -0.06 0.36 -0.85 0.11 -0.37 117.35 114.92 3gut s TYR 583 Ca 0.24 0.53 -0.05 0.00 -0.52 0.00 0.00 57.07 57.28 3gut s TYR 583 Cb -0.12 0.47 0.02 0.00 0.38 0.00 0.00 41.96 42.71 3gut s TYR 583 CO 0.16 -0.41 0.15 -2.00 -1.52 0.00 0.00 175.55 171.93 3gut s GLU 584 N -1.71 0.16 0.28 -3.49 2.12 -1.09 -1.41 118.70 113.56 3gut s GLU 584 Ca -0.00 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 3gut s GLU 584 Cb -0.01 0.03 -0.11 0.00 0.26 0.00 0.00 34.13 34.30 3gut s GLU 584 CO -0.01 -0.05 1.59 -2.00 -0.54 0.00 0.00 175.26 174.25 3gut s GLU 585 N 0.30 4.14 0.58 4.30 2.56 -1.26 -1.91 118.70 127.41 3gut s GLU 585 Ca -0.02 2.55 0.07 0.00 0.00 0.00 0.00 54.97 57.57 3gut s GLU 585 Cb -0.03 -3.04 0.08 0.00 2.00 0.00 0.00 34.13 33.14 3gut s GLU 585 CO -0.01 -0.62 0.80 -2.00 -0.56 0.00 0.00 175.26 172.86 3gut s GLU 586 N -0.32 2.27 -0.01 4.30 2.56 0.11 -4.90 118.70 122.71 3gut s GLU 586 Ca 0.64 -1.47 -0.24 0.00 0.00 0.00 0.00 54.97 53.90 3gut s GLU 586 Cb -0.47 -2.60 -0.17 0.00 2.00 0.00 0.00 34.13 32.89 3gut s GLU 586 CO 0.46 -0.88 1.17 1.49 -0.56 0.00 0.00 175.26 176.94 3gut h GLU 587 N 0.11 -0.29 0.00 4.30 4.57 -1.95 -3.11 114.58 118.21 3gut h GLU 587 Ca -0.33 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3gut h GLU 587 Cb 1.28 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3gut h GLU 587 CO 0.42 0.07 0.00 0.27 -1.18 0.00 0.00 179.01 178.59 3gut n ASN 588 N -5.04 0.05 0.00 1.04 0.23 -1.26 -4.81 115.26 105.46 3gut n ASN 588 Ca -0.09 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.48 3gut n ASN 588 Cb 0.25 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 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 -1.18 2.57 0.00 4.83 0.00 -1.18 -5.08 105.19 105.16 3gut n GLY 589 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.28 -1.72 3.01 -0.02 0.00 -1.26 -4.64 105.19 99.29 3gut n GLY 590 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.89 0.05 -0.06 1.61 0.11 -1.26 -0.71 120.40 119.25 3gut s VAL 591 Ca 0.00 -0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 58.41 3gut s VAL 591 Cb 0.00 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3gut s VAL 591 CO 0.00 -0.22 0.71 0.86 -3.33 0.00 0.00 175.10 173.12 3gut s TRP 592 N -0.70 3.59 -0.10 1.54 -0.00 -0.80 -4.94 118.94 117.53 3gut s TRP 592 Ca -0.08 1.27 0.01 0.00 -0.00 0.00 0.00 56.10 57.30 3gut s TRP 592 Cb -0.05 -2.81 -0.02 0.00 -0.00 0.00 0.00 33.47 30.60 3gut s TRP 592 CO 0.00 0.10 -0.14 -2.00 -0.00 0.00 0.00 176.95 174.92 3gut s GLU 593 N 0.72 3.11 -0.03 5.86 2.12 -1.26 -2.66 118.70 126.56 3gut s GLU 593 Ca 0.38 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 3gut s GLU 593 Cb -0.18 -2.54 0.03 0.00 0.26 0.00 0.00 34.13 31.70 3gut s GLU 593 CO 0.19 0.34 0.07 0.20 -0.54 0.00 0.00 175.26 175.51 3gut s GLY 594 N 0.02 0.04 -0.02 -1.50 0.00 0.50 -4.97 107.32 101.40 3gut s GLY 594 Ca -0.05 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.11 3gut s GLY 594 CO 0.04 0.69 -0.15 -1.36 0.00 0.00 0.00 173.10 172.32 3gut s PHE 595 N 0.94 2.67 0.35 1.90 0.40 -1.26 0.23 117.98 123.21 3gut s PHE 595 Ca -0.08 -0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.79 3gut s PHE 595 Cb -0.11 -1.57 -0.10 0.00 0.51 0.00 0.00 43.02 41.75 3gut s PHE 595 CO -0.03 0.22 1.31 0.20 0.70 0.00 0.00 175.22 177.61 3gut s GLY 596 N -1.02 2.98 -0.54 4.36 0.00 -0.26 -4.31 107.32 108.53 3gut s GLY 596 Ca 0.13 1.26 -0.18 0.00 0.00 0.00 0.00 44.72 45.92 3gut s GLY 596 CO 0.03 1.89 0.63 -0.35 0.00 0.00 0.00 173.10 175.29 3gut s ASP 597 N -0.55 6.20 -0.09 1.64 2.15 -0.88 -4.72 116.67 120.42 3gut s ASP 597 Ca 0.51 -1.22 -0.17 0.00 0.43 0.00 0.00 52.55 52.10 3gut s ASP 597 Cb -0.39 -2.28 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3gut s ASP 597 CO 0.52 -0.95 0.42 0.72 -0.17 0.00 0.00 175.17 175.70 3gut s PHE 598 N 2.49 -0.39 0.13 -5.34 -0.12 -1.26 -3.17 117.98 110.32 3gut s PHE 598 Ca 0.12 0.82 0.03 0.00 -0.05 0.00 0.00 56.93 57.85 3gut s PHE 598 Cb -0.22 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 3gut s PHE 598 CO 0.08 -0.34 0.16 0.45 -0.05 0.00 0.00 175.22 175.53 3gut s SER 599 N -0.54 5.78 0.00 1.98 0.15 -1.26 -4.97 113.70 114.83 3gut s SER 599 Ca -0.07 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3gut s SER 599 Cb -0.03 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 3gut s SER 599 CO 0.03 0.10 0.65 -2.65 1.20 0.00 0.00 173.24 172.57 3gut n PRO 600 N -0.12 0.00 0.05 5.44 -0.02 -1.26 0.71 135.00 139.79 3gut n PRO 600 Ca -0.08 0.16 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3gut n PRO 600 Cb 0.53 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 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 -1.15 0.29 0.74 3.45 -2.24 -1.26 -3.99 114.28 110.11 3gut n THR 601 Ca 0.00 -0.47 0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3gut n THR 601 Cb 0.33 -0.09 0.47 0.00 -2.10 0.00 0.00 70.33 68.94 3gut n THR 601 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gut n ASP 602 N -2.37 0.55 -4.48 3.42 9.92 0.22 -4.66 116.55 119.15 3gut n ASP 602 Ca -0.01 0.55 -0.43 0.00 -0.53 0.00 0.00 54.79 54.38 3gut n ASP 602 Cb 0.53 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 3gut n ASP 602 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gut s VAL 603 N -3.07 4.26 -0.17 2.53 1.01 -1.25 -1.86 120.40 121.84 3gut s VAL 603 Ca 0.11 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3gut s VAL 603 Cb 0.14 -4.79 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 3gut s VAL 603 CO 0.57 -1.59 1.26 -2.28 0.00 0.00 0.00 175.10 173.05 3gut s HIS 604 N 4.18 2.85 -0.77 5.22 2.46 -0.82 -4.30 115.29 124.11 3gut s HIS 604 Ca 0.29 1.01 -0.21 0.00 0.47 0.00 0.00 55.06 56.62 3gut s HIS 604 Cb -0.11 -3.51 0.03 0.00 -0.13 0.00 0.00 32.58 28.86 3gut s HIS 604 CO 0.05 -1.69 0.40 0.54 -2.47 0.00 0.00 174.74 171.57 3gut n ARG 605 N 6.62 -0.54 -0.09 2.88 5.12 -1.26 -1.08 116.66 128.31 3gut n ARG 605 Ca 0.14 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3gut n ARG 605 Cb 0.45 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 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 -3.51 0.00 -0.01 5.56 3.00 -1.26 -4.62 117.38 116.55 3gut n GLN 606 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.96 3gut n GLN 606 Cb 0.35 -1.60 0.04 0.00 0.00 0.00 0.00 30.24 29.03 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 0.28 0.02 -3.95 1.08 3.72 -0.24 -1.56 117.46 116.81 3gut n PHE 607 Ca 0.00 -0.02 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3gut n PHE 607 Cb 0.00 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.70 -0.44 -0.20 4.37 0.00 -1.11 0.11 121.76 123.78 3gut s ALA 608 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 3gut s ALA 608 Cb 0.07 0.98 0.09 0.00 0.00 0.00 0.00 23.12 24.26 3gut s ALA 608 CO 0.10 -0.91 0.45 0.42 0.00 0.00 0.00 175.76 175.83 3gut s ILE 609 N -3.71 -0.48 -0.37 0.00 1.01 0.21 -1.95 121.20 115.91 3gut s ILE 609 Ca 0.20 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 3gut s ILE 609 Cb -0.02 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.75 3gut s ILE 609 CO 0.10 0.05 0.50 -0.69 0.00 0.00 0.00 174.94 174.90 3gut s VAL 610 N 2.27 5.03 0.34 2.92 1.01 -0.78 -1.13 120.40 130.06 3gut s VAL 610 Ca -0.05 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3gut s VAL 610 Cb -0.11 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3gut s VAL 610 CO -0.14 -0.28 0.18 0.72 0.00 0.00 0.00 175.10 175.59 3gut s PHE 611 N 2.35 1.69 -0.06 5.22 -0.71 -0.29 -4.82 117.98 121.35 3gut s PHE 611 Ca 0.17 -1.43 0.04 0.00 -1.04 0.00 0.00 56.93 54.67 3gut s PHE 611 Cb -0.16 -0.89 0.00 0.00 -1.21 0.00 0.00 43.02 40.76 3gut s PHE 611 CO 0.14 -0.57 -0.18 0.15 -1.34 0.00 0.00 175.22 173.42 3gut s LYS 612 N -3.69 2.11 0.69 1.99 1.02 -1.19 0.82 119.74 121.50 3gut s LYS 612 Ca 0.34 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 3gut s LYS 612 Cb 0.04 -1.74 -0.00 0.00 -0.52 0.00 0.00 37.83 35.60 3gut s LYS 612 CO 0.19 0.19 1.02 2.41 -0.92 0.00 0.00 175.35 178.25 3gut n THR 613 N 3.36 3.30 -2.26 2.17 -1.04 0.25 -2.06 114.28 118.00 3gut n THR 613 Ca -0.19 -0.41 -0.26 0.00 -2.04 0.00 0.00 64.05 61.15 3gut n THR 613 Cb 0.53 -1.17 0.06 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.25 2.39 0.31 -2.82 0.04 -1.26 -0.85 135.00 129.56 3gut s PRO 614 Ca 0.75 -0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 3gut s PRO 614 Cb -0.36 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 3gut s PRO 614 CO 0.48 -1.09 0.94 0.15 0.04 0.00 0.00 177.00 177.52 3gut s LYS 615 N -5.16 4.62 0.95 4.56 3.01 -1.26 -3.97 119.74 122.49 3gut s LYS 615 Ca 0.59 1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 56.76 3gut s LYS 615 Cb -0.11 -2.87 0.16 0.00 -1.01 0.00 0.00 37.83 34.00 3gut s LYS 615 CO 0.45 0.32 1.11 -0.47 0.51 0.00 0.00 175.35 177.26 3gut s TYR 616 N -1.55 2.32 -0.40 3.18 5.04 0.16 -4.90 117.35 121.20 3gut s TYR 616 Ca 0.49 0.94 0.24 0.00 -2.44 0.00 0.00 57.07 56.30 3gut s TYR 616 Cb -0.20 -3.31 1.04 0.00 0.35 0.00 0.00 41.96 39.85 3gut s TYR 616 CO 0.25 -2.61 1.74 1.57 -1.34 0.00 0.00 175.55 175.16 3gut h LYS 617 N -1.68 0.00 -2.06 4.97 2.10 -1.96 -3.39 116.57 114.55 3gut h LYS 617 Ca -0.52 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.81 3gut h LYS 617 Cb 1.33 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.33 3gut h LYS 617 CO 0.59 0.00 -0.63 0.34 -2.00 0.00 0.00 179.45 177.75 3gut s ASP 618 N -4.36 1.44 0.00 7.07 2.15 -1.26 -5.02 116.67 116.69 3gut s ASP 618 Ca 0.03 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.15 3gut s ASP 618 Cb 0.09 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.29 3gut s ASP 618 CO 0.39 -0.36 0.67 1.33 -0.17 0.00 0.00 175.17 177.03 3gut n VAL 619 N 5.12 0.00 -2.30 1.11 0.24 -1.26 -3.59 118.33 117.65 3gut n VAL 619 Ca 0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.34 3gut n VAL 619 Cb 0.46 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.22 0.79 -4.79 -1.34 0.23 -1.26 -4.77 115.26 103.90 3gut n ASN 620 Ca 0.00 -2.10 -0.29 0.00 -0.53 0.00 0.00 54.58 51.66 3gut n ASN 620 Cb 0.11 -0.29 0.11 0.00 -2.08 0.00 0.00 39.78 37.64 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 -0.19 2.55 -0.03 1.53 -0.00 -1.24 -4.97 121.20 118.86 3gut s ILE 621 Ca 0.25 0.18 0.14 0.00 -0.00 0.00 0.00 60.65 61.22 3gut s ILE 621 Cb 0.28 -2.92 -0.22 0.00 -0.00 0.00 0.00 42.46 39.60 3gut s ILE 621 CO -0.12 -0.23 0.29 0.35 -0.00 0.00 0.00 174.94 175.23 3gut n THR 622 N -3.60 0.07 -5.08 8.37 -2.24 -1.26 -4.72 114.28 105.82 3gut n THR 622 Ca 0.07 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 3gut n THR 622 Cb 0.58 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.94 2.85 0.67 -0.78 -0.14 -1.26 -4.80 119.74 113.34 3gut s LYS 623 Ca -0.05 -0.81 -0.17 0.00 -1.36 0.00 0.00 55.97 53.57 3gut s LYS 623 Cb 0.09 -2.34 -0.08 0.00 -1.68 0.00 0.00 37.83 33.82 3gut s LYS 623 CO 0.59 0.34 0.33 -0.35 -0.76 0.00 0.00 175.35 175.50 3gut n PRO 624 N 3.11 0.28 -4.48 -1.68 -0.04 -1.26 -4.79 135.00 126.14 3gut n PRO 624 Ca -0.18 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 3gut n PRO 624 Cb 0.52 -1.61 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.88 1.05 -0.24 0.55 0.00 -0.11 -4.98 121.76 116.14 3gut s ALA 625 Ca 0.63 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 3gut s ALA 625 Cb -0.38 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3gut s ALA 625 CO 0.60 0.13 0.63 -1.12 0.00 0.00 0.00 175.76 176.01 3gut s SER 626 N 0.40 6.61 0.00 0.00 0.01 -1.26 -1.43 113.70 118.02 3gut s SER 626 Ca -0.08 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.93 3gut s SER 626 Cb -0.12 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3gut s SER 626 CO 0.02 -0.35 0.00 1.33 0.41 0.00 0.00 173.24 174.64 3gut n VAL 627 N 5.08 0.00 -4.08 3.43 0.24 0.06 -4.98 118.33 118.09 3gut n VAL 627 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 3gut n VAL 627 Cb 0.49 -0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.31 0.59 0.04 6.34 0.08 -0.50 -2.78 117.98 122.07 3gut s PHE 628 Ca 0.00 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.69 3gut s PHE 628 Cb 0.00 -0.36 -0.02 0.00 -0.57 0.00 0.00 43.02 42.06 3gut s PHE 628 CO 0.00 -0.07 -0.09 0.54 -0.10 0.00 0.00 175.22 175.50 3gut s VAL 629 N -1.04 0.68 0.31 -0.44 0.11 -0.18 0.04 120.40 119.88 3gut s VAL 629 Ca -0.07 -1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 57.77 3gut s VAL 629 Cb -0.08 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3gut s VAL 629 CO 0.00 -0.27 0.73 0.00 -3.33 0.00 0.00 175.10 172.24 3gut s GLN 630 N -1.41 1.93 -0.00 1.54 -2.07 -0.40 -0.86 119.66 118.38 3gut s GLN 630 Ca -0.06 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.33 3gut s GLN 630 Cb -0.09 0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 3gut s GLN 630 CO 0.01 -0.89 0.06 -0.51 -1.32 0.00 0.00 175.29 172.64 3gut s LEU 631 N -2.97 3.81 -0.15 2.60 1.43 -1.26 -1.49 118.68 120.64 3gut s LEU 631 Ca 0.13 0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 3gut s LEU 631 Cb -0.06 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 44.02 3gut s LEU 631 CO 0.09 0.27 0.33 -0.60 0.23 0.00 0.00 176.35 176.67 3gut s ARG 632 N -1.69 0.25 0.27 1.70 3.52 -0.53 -0.47 118.95 122.00 3gut s ARG 632 Ca 0.22 0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 56.32 3gut s ARG 632 Cb -0.12 0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.23 3gut s ARG 632 CO 0.13 -0.23 1.15 1.03 -0.81 0.00 0.00 175.30 176.57 3gut s ARG 633 N 2.07 4.56 -0.02 5.12 0.52 -0.74 -1.43 118.95 129.03 3gut s ARG 633 Ca -0.04 1.90 -0.07 0.00 -0.52 0.00 0.00 55.73 57.00 3gut s ARG 633 Cb -0.11 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 3gut s ARG 633 CO -0.11 0.09 0.47 0.87 0.02 0.00 0.00 175.30 176.65 3gut h LYS 634 N 3.96 -0.26 -0.14 3.54 1.57 -1.65 -0.95 116.57 122.64 3gut h LYS 634 Ca -0.47 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 3gut h LYS 634 Cb 1.21 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 3gut h LYS 634 CO 0.68 -0.17 -0.08 -1.13 -0.57 0.00 0.00 179.45 178.17 3gut n SER 635 N -3.66 -0.15 -0.42 0.86 3.41 -1.26 -1.68 113.62 110.72 3gut n SER 635 Ca -0.03 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 3gut n SER 635 Cb 0.10 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.23 1.76 -3.15 4.04 5.75 -1.26 -5.01 116.55 115.46 3gut n ASP 636 Ca 0.00 -1.38 -0.21 0.00 -0.01 0.00 0.00 54.79 53.19 3gut n ASP 636 Cb 0.04 0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.14 -3.08 -4.93 -2.12 4.77 -0.36 -5.01 117.00 106.42 3gut n LEU 637 Ca 0.07 -0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 55.37 3gut n LEU 637 Cb 0.34 -2.79 -0.02 0.00 -2.33 0.00 0.00 43.42 38.62 3gut n LEU 637 CO 0.16 0.48 0.20 -1.61 -1.33 0.00 0.00 177.39 175.30 3gut s GLU 638 N -6.02 3.54 0.18 3.23 0.41 -1.25 -4.84 118.70 113.95 3gut s GLU 638 Ca 0.46 -0.18 0.06 0.00 -0.41 0.00 0.00 54.97 54.90 3gut s GLU 638 Cb -0.20 -2.64 -0.05 0.00 -1.78 0.00 0.00 34.13 29.46 3gut s GLU 638 CO 0.57 0.15 -0.12 0.95 -0.49 0.00 0.00 175.26 176.32 3gut s THR 639 N -2.26 1.42 0.69 3.63 -4.23 -1.26 -1.80 115.64 111.83 3gut s THR 639 Ca 0.42 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 3gut s THR 639 Cb -0.10 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.82 3gut s THR 639 CO 0.35 -0.67 1.04 -0.94 -0.54 0.00 0.00 174.62 173.86 3gut s SER 640 N -3.24 5.24 0.14 3.99 1.04 0.38 -4.74 113.70 116.51 3gut s SER 640 Ca 0.20 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 57.16 3gut s SER 640 Cb 0.01 -1.63 -0.09 0.00 0.10 0.00 0.00 66.02 64.41 3gut s SER 640 CO 0.04 -1.39 1.48 -1.83 0.98 0.00 0.00 173.24 172.51 3gut s GLU 641 N -5.27 4.27 -0.10 4.02 1.03 -1.26 -4.50 118.70 116.88 3gut s GLU 641 Ca 0.58 2.23 -0.40 0.00 0.03 0.00 0.00 54.97 57.41 3gut s GLU 641 Cb -0.11 -3.20 -0.18 0.00 -0.80 0.00 0.00 34.13 29.85 3gut s GLU 641 CO 0.48 -0.52 1.42 -2.30 -1.33 0.00 0.00 175.26 173.01 3gut n PRO 642 N 3.89 0.76 -4.88 -4.83 -0.02 -1.26 -4.81 135.00 123.85 3gut n PRO 642 Ca 0.12 0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 3gut n PRO 642 Cb 0.40 -1.88 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.47 2.21 0.10 -0.52 2.20 -0.04 -4.94 119.74 120.22 3gut s LYS 643 Ca 0.92 -0.63 -0.35 0.00 -0.36 0.00 0.00 55.97 55.55 3gut s LYS 643 Cb -1.12 -1.77 -0.15 0.00 -1.51 0.00 0.00 37.83 33.28 3gut s LYS 643 CO 0.58 0.13 1.50 -2.30 -0.36 0.00 0.00 175.35 174.90 3gut n PRO 644 N 3.55 1.68 -3.88 4.03 -0.02 -1.26 -1.01 135.00 138.09 3gut n PRO 644 Ca -0.20 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 3gut n PRO 644 Cb 0.52 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.99 0.06 -0.25 6.00 2.19 -1.12 -4.88 117.98 120.97 3gut s PHE 645 Ca 0.83 0.01 -0.04 0.00 0.33 0.00 0.00 56.93 58.06 3gut s PHE 645 Cb -0.81 -0.08 0.00 0.00 -1.31 0.00 0.00 43.02 40.82 3gut s PHE 645 CO 0.43 -0.02 -0.01 -1.17 1.83 0.00 0.00 175.22 176.28 3gut s LEU 646 N 0.19 3.22 -0.54 6.12 1.98 0.80 -0.76 118.68 129.69 3gut s LEU 646 Ca -0.02 -0.57 -0.17 0.00 -2.89 0.00 0.00 54.13 50.48 3gut s LEU 646 Cb -0.03 -1.76 0.11 0.00 0.66 0.00 0.00 46.19 45.17 3gut s LEU 646 CO -0.01 -0.09 0.54 -0.31 -1.89 0.00 0.00 176.35 174.60 3gut s TYR 647 N 1.45 3.18 0.04 5.38 2.02 -0.52 0.13 117.35 129.03 3gut s TYR 647 Ca 0.04 -1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 55.54 3gut s TYR 647 Cb -0.16 -3.78 -0.05 0.00 -0.40 0.00 0.00 41.96 37.58 3gut s TYR 647 CO -0.02 -1.06 0.28 1.52 -1.57 0.00 0.00 175.55 174.70 3gut s TYR 648 N 1.91 3.56 0.81 2.71 -0.85 -0.09 -0.94 117.35 124.45 3gut s TYR 648 Ca 0.06 0.54 -0.12 0.00 -0.52 0.00 0.00 57.07 57.03 3gut s TYR 648 Cb -0.28 -1.97 0.07 0.00 0.38 0.00 0.00 41.96 40.17 3gut s TYR 648 CO 0.05 0.58 1.10 -1.25 -1.52 0.00 0.00 175.55 174.50 3gut s PRO 649 N -1.98 2.02 0.00 -3.49 0.04 -1.26 -2.04 135.00 128.29 3gut s PRO 649 Ca 0.31 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.97 3gut s PRO 649 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3gut s PRO 649 CO 0.19 -1.66 0.37 -1.91 0.04 0.00 0.00 177.00 174.03