#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 3.72 0.29 1.61 0.04 -1.26 -4.60 135.00 134.80 3gut s PRO 340 Ca 0.00 -0.12 0.02 0.00 0.04 0.00 0.00 61.00 60.94 3gut s PRO 340 Cb 0.00 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3gut s PRO 340 CO 0.00 -0.53 0.13 1.52 0.04 0.00 0.00 177.00 178.17 3gut s TYR 341 N 2.26 1.57 -0.07 0.56 1.13 0.07 -4.82 117.35 118.03 3gut s TYR 341 Ca 0.17 -1.29 0.01 0.00 -1.41 0.00 0.00 57.07 54.55 3gut s TYR 341 Cb -0.16 -0.87 -0.03 0.00 -1.10 0.00 0.00 41.96 39.80 3gut s TYR 341 CO 0.12 -0.44 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.46 3gut s LEU 342 N -3.35 3.07 -0.06 -3.49 2.96 -1.26 0.57 118.68 117.11 3gut s LEU 342 Ca 0.36 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3gut s LEU 342 Cb 0.06 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3gut s LEU 342 CO 0.16 0.34 0.15 -1.58 -1.32 0.00 0.00 176.35 174.10 3gut s GLN 343 N -0.67 0.17 -0.17 1.98 0.74 -0.52 -4.87 119.66 116.31 3gut s GLN 343 Ca 0.10 0.24 -0.26 0.00 0.05 0.00 0.00 55.36 55.49 3gut s GLN 343 Cb -0.11 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 3gut s GLN 343 CO 0.02 -0.04 0.88 0.42 -0.55 0.00 0.00 175.29 176.01 3gut s ILE 344 N 0.25 4.85 -0.09 -2.34 1.01 -1.26 -1.54 121.20 122.08 3gut s ILE 344 Ca -0.01 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.45 3gut s ILE 344 Cb -0.03 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 3gut s ILE 344 CO -0.01 -0.00 0.49 0.18 0.00 0.00 0.00 174.94 175.60 3gut n LEU 345 N 5.34 1.25 -3.64 2.97 4.32 -0.99 -4.89 117.00 121.34 3gut n LEU 345 Ca 0.06 0.30 -0.20 0.00 -0.02 0.00 0.00 56.01 56.14 3gut n LEU 345 Cb 0.48 -0.12 -0.17 0.00 -1.62 0.00 0.00 43.42 42.00 3gut n LEU 345 CO 0.49 0.53 -0.30 -0.70 -1.22 0.00 0.00 177.39 176.19 3gut s GLU 346 N -2.57 0.00 0.29 3.23 2.12 -1.23 -4.95 118.70 115.59 3gut s GLU 346 Ca -0.10 0.32 -0.28 0.00 0.36 0.00 0.00 54.97 55.27 3gut s GLU 346 Cb 0.07 -0.78 -0.09 0.00 0.26 0.00 0.00 34.13 33.60 3gut s GLU 346 CO 0.80 -0.42 1.02 -0.65 -0.54 0.00 0.00 175.26 175.47 3gut s GLN 347 N 2.21 4.62 1.25 4.30 -1.52 -1.26 -4.20 119.66 125.05 3gut s GLN 347 Ca 0.04 1.59 -0.15 0.00 -1.95 0.00 0.00 55.36 54.88 3gut s GLN 347 Cb -0.13 -3.04 0.32 0.00 -0.22 0.00 0.00 33.01 29.93 3gut s GLN 347 CO -0.06 0.26 1.00 -1.25 -0.25 0.00 0.00 175.29 174.98 3gut s PRO 348 N -1.64 -1.58 0.27 2.91 0.04 -1.25 -3.33 135.00 130.42 3gut s PRO 348 Ca 0.47 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 3gut s PRO 348 Cb -0.26 -1.49 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 3gut s PRO 348 CO 0.33 -4.11 0.75 0.21 0.04 0.00 0.00 177.00 174.22 3gut s LYS 349 N -4.58 4.19 0.03 4.56 2.20 0.16 -4.67 119.74 121.63 3gut s LYS 349 Ca 0.69 0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 56.98 3gut s LYS 349 Cb -0.23 -2.69 -0.36 0.00 -1.51 0.00 0.00 37.83 33.04 3gut s LYS 349 CO 0.64 0.29 1.01 1.96 -0.36 0.00 0.00 175.35 178.88 3gut h GLN 350 N 2.94 0.54 -5.43 4.03 4.20 -1.93 -3.43 115.11 116.04 3gut h GLN 350 Ca -0.48 -0.92 -0.41 0.00 0.06 0.00 0.00 58.65 56.89 3gut h GLN 350 Cb 1.19 0.34 -0.16 0.00 0.30 0.00 0.00 27.48 29.15 3gut h GLN 350 CO 0.65 1.44 -0.74 1.03 -0.67 0.00 0.00 178.83 180.54 3gut s ARG 351 N -2.61 1.13 0.00 1.46 0.52 -1.26 0.21 118.95 118.40 3gut s ARG 351 Ca -0.09 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 3gut s ARG 351 Cb 0.04 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.57 3gut s ARG 351 CO 0.95 0.16 0.00 0.41 0.02 0.00 0.00 175.30 176.84 3gut n GLY 352 N 0.12 0.80 3.67 -3.53 0.00 -1.26 -5.01 105.19 99.97 3gut n GLY 352 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 3.14 -0.15 1.61 5.36 -1.26 -4.89 117.98 119.79 3gut s PHE 353 Ca 0.00 0.17 -0.08 0.00 -0.96 0.00 0.00 56.93 56.06 3gut s PHE 353 Cb 0.00 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.85 3gut s PHE 353 CO 0.00 0.45 0.13 0.50 -1.46 0.00 0.00 175.22 174.84 3gut s ARG 354 N -0.85 3.70 0.21 10.12 3.52 -1.26 -0.00 118.95 134.39 3gut s ARG 354 Ca 0.13 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 3gut s ARG 354 Cb -0.11 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 3gut s ARG 354 CO 0.02 0.60 0.99 -0.06 -0.81 0.00 0.00 175.30 176.05 3gut s PHE 355 N -0.51 3.83 -0.14 5.12 0.40 -1.26 -4.78 117.98 120.63 3gut s PHE 355 Ca 0.12 1.81 0.00 0.00 -0.60 0.00 0.00 56.93 58.26 3gut s PHE 355 Cb -0.12 -3.09 -0.01 0.00 0.51 0.00 0.00 43.02 40.32 3gut s PHE 355 CO 0.02 0.09 -0.14 1.03 0.70 0.00 0.00 175.22 176.92 3gut s ARG 356 N -0.84 3.31 0.98 0.44 1.81 -0.91 -4.75 118.95 118.98 3gut s ARG 356 Ca 0.44 -0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 53.61 3gut s ARG 356 Cb -0.27 -2.63 0.18 0.00 -0.45 0.00 0.00 34.95 31.78 3gut s ARG 356 CO 0.33 0.12 1.10 0.71 -0.68 0.00 0.00 175.30 176.88 3gut s TYR 357 N 0.58 2.15 0.08 -0.53 1.51 -1.26 -1.54 117.35 118.35 3gut s TYR 357 Ca -0.08 1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 56.78 3gut s TYR 357 Cb -0.16 -3.25 -0.13 0.00 -0.11 0.00 0.00 41.96 38.31 3gut s TYR 357 CO 0.03 -2.80 1.67 0.28 -1.11 0.00 0.00 175.55 173.63 3gut h VAL 358 N -1.83 1.09 0.00 0.71 2.07 -1.93 -2.87 116.25 113.49 3gut h VAL 358 Ca -0.54 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3gut h VAL 358 Cb 1.32 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3gut h VAL 358 CO 0.57 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.24 3gut h GLU 360 N 0.00 0.00 0.00 0.00 5.08 -1.87 -3.50 114.58 114.30 3gut h GLU 360 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gut h GLU 360 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gut h GLU 360 CO 0.00 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 3gut n GLY 361 N 0.98 0.75 3.99 -3.84 0.00 -1.04 -5.07 105.19 100.96 3gut n GLY 361 Ca 0.03 -2.24 -0.19 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 -1.03 3.00 -0.79 1.61 0.04 -1.26 -4.81 135.00 131.75 3gut s PRO 362 Ca 0.00 -1.05 -0.02 0.00 0.04 0.00 0.00 61.00 59.98 3gut s PRO 362 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3gut s PRO 362 CO 0.00 -0.10 0.63 0.43 0.04 0.00 0.00 177.00 178.00 3gut n SER 363 N -1.76 -5.64 -0.00 6.66 7.64 -1.26 -4.96 113.62 114.29 3gut n SER 363 Ca 0.03 -0.70 0.08 0.00 1.01 0.00 0.00 58.87 59.29 3gut n SER 363 Cb 0.58 -2.62 -0.11 0.00 -1.01 0.00 0.00 64.21 61.06 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 -2.30 0.00 0.00 1.43 8.25 -1.26 -5.03 115.22 116.31 3gut n HIS 364 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3gut n HIS 364 Cb 0.64 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.45 3.89 3.93 -1.41 0.00 -1.26 -5.12 105.19 106.66 3gut n GLY 365 Ca 0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 2.25 0.55 -0.02 0.00 -1.26 -4.49 107.32 104.34 3gut s GLY 366 Ca 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 44.72 43.23 3gut s GLY 366 CO 0.00 -1.89 0.74 1.04 0.00 0.00 0.00 173.10 172.99 3gut n LEU 367 N -1.86 0.00 -4.23 0.66 4.77 0.10 -4.75 117.00 111.69 3gut n LEU 367 Ca 0.02 -0.96 -0.15 0.00 -0.03 0.00 0.00 56.01 54.89 3gut n LEU 367 Cb 0.64 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3gut n LEU 367 CO 0.39 -1.00 -0.18 -2.84 -1.33 0.00 0.00 177.39 172.43 3gut s PRO 368 N -4.55 1.43 0.36 3.23 0.02 -1.26 -4.83 135.00 129.40 3gut s PRO 368 Ca 0.43 -1.78 0.03 0.00 0.02 0.00 0.00 61.00 59.71 3gut s PRO 368 Cb -0.01 0.30 -0.04 0.00 0.02 0.00 0.00 34.50 34.76 3gut s PRO 368 CO 0.30 -0.50 0.10 0.20 -0.33 0.00 0.00 177.00 176.77 3gut s GLY 369 N -3.24 2.29 0.18 0.52 0.00 -1.26 -0.66 107.32 105.15 3gut s GLY 369 Ca 0.39 -1.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.27 3gut s GLY 369 CO 0.18 -1.78 0.74 0.00 0.00 0.00 0.00 173.10 172.23 3gut s ALA 370 N -3.33 3.45 0.19 3.20 0.00 -1.21 -3.90 121.76 120.16 3gut s ALA 370 Ca 0.30 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3gut s ALA 370 Cb 0.05 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.30 3gut s ALA 370 CO 0.15 0.32 0.00 0.43 0.00 0.00 0.00 175.76 176.66 3gut n SER 371 N 1.29 -9.07 -3.62 0.00 7.64 -1.26 -4.90 113.62 103.70 3gut n SER 371 Ca -0.05 1.44 -0.27 0.00 1.01 0.00 0.00 58.87 61.00 3gut n SER 371 Cb 0.50 -5.11 -0.10 0.00 -1.01 0.00 0.00 64.21 58.49 3gut n SER 371 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3gut n SER 372 N 1.91 2.32 -4.81 6.43 3.41 -1.25 -3.77 113.62 117.86 3gut n SER 372 Ca 0.00 -3.07 -0.30 0.00 -0.26 0.00 0.00 58.87 55.23 3gut n SER 372 Cb 0.00 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.34 3gut n SER 372 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gut s GLU 373 N -1.43 2.29 0.20 4.33 2.02 -1.26 -4.82 118.70 120.03 3gut s GLU 373 Ca 0.31 0.73 -0.04 0.00 0.02 0.00 0.00 54.97 55.99 3gut s GLU 373 Cb 0.04 -1.93 0.35 0.00 0.10 0.00 0.00 34.13 32.69 3gut s GLU 373 CO -0.13 -1.50 1.07 1.63 0.02 0.00 0.00 175.26 176.35 3gut n LYS 374 N -3.36 -0.06 0.00 1.61 5.02 -1.26 -0.34 118.16 119.77 3gut n LYS 374 Ca 0.07 1.06 0.11 0.00 -2.02 0.00 0.00 58.31 57.53 3gut n LYS 374 Cb 0.55 -1.60 0.64 0.00 -0.02 0.00 0.00 35.03 34.60 3gut n LYS 374 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gut n ASN 375 N -5.09 0.00 0.00 4.39 5.03 -1.26 -4.92 115.26 113.41 3gut n ASN 375 Ca 0.12 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.43 3gut n ASN 375 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 3gut n ASN 375 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3gut n LYS 376 N -0.87 0.00 0.00 3.52 5.02 0.54 -5.00 118.16 121.37 3gut n LYS 376 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3gut n LYS 376 Cb 0.07 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3gut n LYS 376 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3gut n LYS 377 N -2.02 0.00 -2.37 1.97 3.00 -1.26 -4.84 118.16 112.64 3gut n LYS 377 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3gut n LYS 377 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 35.03 33.31 3gut n LYS 377 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3gut s SER 378 N -1.48 7.11 -0.23 3.14 1.04 -1.25 -4.98 113.70 117.05 3gut s SER 378 Ca 0.00 2.31 -0.04 0.00 0.48 0.00 0.00 55.95 58.70 3gut s SER 378 Cb 0.00 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.59 3gut s SER 378 CO 0.00 -0.31 0.14 -0.31 0.98 0.00 0.00 173.24 173.74 3gut s TYR 379 N -0.64 0.15 0.03 5.02 1.51 -1.26 -4.77 117.35 117.38 3gut s TYR 379 Ca 0.49 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 3gut s TYR 379 Cb -0.33 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 3gut s TYR 379 CO 0.41 -0.69 1.14 -1.25 -1.11 0.00 0.00 175.55 174.05 3gut s PRO 380 N 2.16 4.46 -0.26 -1.71 0.04 -1.26 -4.87 135.00 133.56 3gut s PRO 380 Ca 0.06 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3gut s PRO 380 Cb -0.16 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.06 3gut s PRO 380 CO -0.23 -0.23 0.01 -0.65 0.04 0.00 0.00 177.00 175.94 3gut s GLN 381 N 1.18 1.20 0.00 4.56 -0.21 -1.26 -0.27 119.66 124.87 3gut s GLN 381 Ca 0.57 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3gut s GLN 381 Cb -0.27 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3gut s GLN 381 CO 0.28 -0.74 0.00 0.28 -2.12 0.00 0.00 175.29 172.99 3gut n VAL 382 N 4.74 0.00 -3.65 1.09 0.31 0.18 -2.36 118.33 118.65 3gut n VAL 382 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.23 3gut n VAL 382 Cb 0.44 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 3gut n VAL 382 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3gut s LYS 383 N -2.35 0.27 0.08 5.55 2.20 -0.59 -2.73 119.74 122.16 3gut s LYS 383 Ca 0.00 0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 55.84 3gut s LYS 383 Cb 0.00 0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 3gut s LYS 383 CO 0.00 -0.05 0.56 0.42 -0.36 0.00 0.00 175.35 175.92 3gut s ILE 384 N 0.93 4.76 0.00 5.43 1.09 0.46 -1.44 121.20 132.43 3gut s ILE 384 Ca -0.05 1.16 0.07 0.00 -1.10 0.00 0.00 60.65 60.73 3gut s ILE 384 Cb -0.04 -3.87 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 3gut s ILE 384 CO -0.12 0.52 -0.21 0.00 -0.10 0.00 0.00 174.94 175.03 3gut n ASN 386 N 2.36 -3.84 -3.65 0.00 3.02 -1.26 -0.75 115.26 111.14 3gut n ASN 386 Ca -0.16 -0.35 -0.03 0.00 -0.03 0.00 0.00 54.58 54.01 3gut n ASN 386 Cb 0.53 -3.30 -0.07 0.00 -0.61 0.00 0.00 39.78 36.33 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 -3.20 -0.17 -0.16 3.10 5.04 -1.26 -4.20 117.35 116.49 3gut s TYR 387 Ca 0.24 0.40 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 3gut s TYR 387 Cb -0.11 0.40 0.08 0.00 0.35 0.00 0.00 41.96 42.68 3gut s TYR 387 CO 0.45 -0.08 0.23 0.08 -1.34 0.00 0.00 175.55 174.88 3gut s VAL 388 N 0.26 -0.35 -5.00 3.14 1.01 -1.26 -4.92 120.40 113.28 3gut s VAL 388 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3gut s VAL 388 Cb -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3gut s VAL 388 CO -0.13 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3gut n GLY 389 N 5.33 -1.26 3.74 4.51 0.00 -0.78 -4.95 105.19 111.79 3gut n GLY 389 Ca -0.05 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 2.12 -3.53 1.61 -0.02 -1.26 -4.23 135.00 129.68 3gut n PRO 390 Ca 0.00 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3gut n PRO 390 Cb 0.00 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 30.87 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 -1.20 -1.82 -0.14 3.55 0.00 -1.22 -4.31 121.76 116.62 3gut s ALA 391 Ca 0.62 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.91 3gut s ALA 391 Cb -0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3gut s ALA 391 CO 0.57 -0.41 -0.13 0.21 0.00 0.00 0.00 175.76 176.00 3gut s LYS 392 N -1.52 3.35 -0.31 0.00 2.20 0.11 -0.73 119.74 122.84 3gut s LYS 392 Ca -0.05 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3gut s LYS 392 Cb -0.00 -2.64 0.08 0.00 -1.51 0.00 0.00 37.83 33.75 3gut s LYS 392 CO 0.04 0.17 -0.00 0.08 -0.36 0.00 0.00 175.35 175.27 3gut s VAL 393 N 0.47 2.52 0.16 4.02 1.01 -0.83 0.15 120.40 127.89 3gut s VAL 393 Ca -0.10 -1.84 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 3gut s VAL 393 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3gut s VAL 393 CO 0.05 -0.29 0.36 0.27 0.00 0.00 0.00 175.10 175.48 3gut s ILE 394 N 1.08 5.22 -0.08 2.22 -4.36 -0.31 -2.84 121.20 122.12 3gut s ILE 394 Ca -0.00 -0.21 0.01 0.00 -0.26 0.00 0.00 60.65 60.19 3gut s ILE 394 Cb -0.20 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.85 3gut s ILE 394 CO -0.05 -0.04 -0.11 -0.69 0.24 0.00 0.00 174.94 174.29 3gut s VAL 395 N -1.73 1.13 0.29 8.37 1.01 -0.04 -1.80 120.40 127.63 3gut s VAL 395 Ca 0.39 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3gut s VAL 395 Cb -0.12 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 3gut s VAL 395 CO 0.27 0.37 -0.08 -1.10 0.00 0.00 0.00 175.10 174.55 3gut s GLN 396 N 1.02 1.60 -0.25 2.72 -0.21 -0.44 -2.46 119.66 121.64 3gut s GLN 396 Ca -0.08 -1.80 -0.08 0.00 0.02 0.00 0.00 55.36 53.42 3gut s GLN 396 Cb -0.15 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 3gut s GLN 396 CO -0.01 0.09 0.10 -0.51 -2.12 0.00 0.00 175.29 172.85 3gut s LEU 397 N -3.47 3.66 0.28 2.90 1.43 -1.26 -0.88 118.68 121.34 3gut s LEU 397 Ca 0.30 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3gut s LEU 397 Cb 0.03 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3gut s LEU 397 CO 0.13 -0.01 -0.09 0.68 0.23 0.00 0.00 176.35 177.29 3gut s VAL 398 N 1.47 1.83 0.60 -1.59 -7.23 0.58 -0.24 120.40 115.82 3gut s VAL 398 Ca 0.06 -2.18 -0.09 0.00 -1.81 0.00 0.00 61.98 57.96 3gut s VAL 398 Cb -0.15 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3gut s VAL 398 CO 0.05 -0.35 0.97 0.42 -0.31 0.00 0.00 175.10 175.89 3gut s THR 399 N -2.90 4.31 -0.43 5.32 -4.23 -0.01 -1.24 115.64 116.47 3gut s THR 399 Ca 0.29 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 61.34 3gut s THR 399 Cb 0.02 -3.71 0.63 0.00 1.34 0.00 0.00 72.50 70.78 3gut s THR 399 CO 0.12 -0.86 1.84 -3.20 -0.54 0.00 0.00 174.62 171.98 3gut n ASN 400 N -2.67 3.70 -2.50 3.99 5.15 -1.26 -4.58 115.26 117.09 3gut n ASN 400 Ca 0.05 -3.65 -0.05 0.00 -0.60 0.00 0.00 54.58 50.32 3gut n ASN 400 Cb 0.56 -0.81 0.03 0.00 -0.53 0.00 0.00 39.78 39.03 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 -1.13 0.13 0.15 8.20 0.00 -1.26 -5.00 105.19 106.28 3gut n GLY 401 Ca 0.55 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 0.41 -4.64 1.61 -0.00 -2.03 -3.40 116.57 108.52 3gut h LYS 402 Ca -0.08 -0.14 -0.70 0.00 -0.00 0.00 0.00 60.65 59.74 3gut h LYS 402 Cb 0.26 -0.03 -0.23 0.00 -0.00 0.00 0.00 32.23 32.23 3gut h LYS 402 CO 0.07 0.62 -0.51 -0.80 -0.00 0.00 0.00 179.45 178.83 3gut s ASN 403 N -5.95 5.79 0.37 7.07 -0.87 -1.26 -5.08 114.94 115.02 3gut s ASN 403 Ca -0.14 -0.76 -0.28 0.00 -1.57 0.00 0.00 52.86 50.11 3gut s ASN 403 Cb 0.07 -2.06 -0.11 0.00 -0.02 0.00 0.00 41.25 39.13 3gut s ASN 403 CO 0.74 -0.32 1.44 -0.38 -2.57 0.00 0.00 177.10 176.01 3gut n ILE 404 N 5.04 2.04 -3.92 0.60 2.08 -1.26 -4.94 119.36 118.99 3gut n ILE 404 Ca -0.12 -0.50 -0.09 0.00 0.56 0.00 0.00 62.75 62.60 3gut n ILE 404 Cb 0.48 -1.87 -0.04 0.00 -0.75 0.00 0.00 39.64 37.45 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 -1.12 0.15 0.27 1.39 3.76 -1.26 -4.54 115.29 113.94 3gut s HIS 405 Ca 0.54 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.63 3gut s HIS 405 Cb -0.50 0.34 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 3gut s HIS 405 CO 0.63 -1.03 1.20 -0.51 -0.85 0.00 0.00 174.74 174.18 3gut s LEU 406 N -2.97 4.49 0.25 0.89 1.43 -1.15 -0.82 118.68 120.80 3gut s LEU 406 Ca 0.17 2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 55.58 3gut s LEU 406 Cb -0.02 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 3gut s LEU 406 CO 0.06 -0.33 0.57 -2.28 0.23 0.00 0.00 176.35 174.60 3gut s HIS 407 N -0.85 3.43 0.14 0.29 5.65 0.67 -4.61 115.29 120.01 3gut s HIS 407 Ca 0.48 0.85 0.17 0.00 0.25 0.00 0.00 55.06 56.81 3gut s HIS 407 Cb -0.35 -2.25 0.53 0.00 -1.18 0.00 0.00 32.58 29.33 3gut s HIS 407 CO 0.44 0.22 1.67 0.00 -0.65 0.00 0.00 174.74 176.41 3gut h ALA 408 N 2.29 0.93 -2.27 1.58 0.00 -1.90 -3.46 119.26 116.43 3gut h ALA 408 Ca -0.47 -0.40 -0.51 0.00 0.00 0.00 0.00 54.91 53.53 3gut h ALA 408 Cb 1.17 -0.07 0.19 0.00 0.00 0.00 0.00 17.79 19.09 3gut h ALA 408 CO 0.68 0.55 0.21 -1.01 0.00 0.00 0.00 179.25 179.69 3gut s HIS 409 N -3.49 1.69 0.06 0.00 3.76 -1.26 -4.72 115.29 111.32 3gut s HIS 409 Ca 0.00 1.72 0.10 0.00 -0.15 0.00 0.00 55.06 56.73 3gut s HIS 409 Cb 0.11 -3.30 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 3gut s HIS 409 CO 0.71 -2.81 -0.26 -1.12 -0.85 0.00 0.00 174.74 170.41 3gut s SER 410 N -2.73 3.19 -0.24 1.40 0.01 -1.15 -4.81 113.70 109.36 3gut s SER 410 Ca 0.66 -0.62 -0.14 0.00 1.31 0.00 0.00 55.95 57.17 3gut s SER 410 Cb -0.22 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 3gut s SER 410 CO 0.58 0.25 0.31 -0.22 0.41 0.00 0.00 173.24 174.57 3gut s LEU 411 N -1.37 4.09 0.23 2.44 2.96 -1.24 -0.19 118.68 125.61 3gut s LEU 411 Ca 0.12 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 3gut s LEU 411 Cb -0.10 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3gut s LEU 411 CO 0.03 -0.07 -0.13 0.54 -1.32 0.00 0.00 176.35 175.40 3gut s VAL 412 N 1.53 1.75 0.00 1.68 0.11 0.12 -4.23 120.40 121.36 3gut s VAL 412 Ca 0.13 -2.20 0.00 0.00 -2.93 0.00 0.00 61.98 56.98 3gut s VAL 412 Cb -0.15 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 3gut s VAL 412 CO 0.08 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 171.95 3gut n GLY 413 N -0.44 0.12 3.68 6.54 0.00 -1.26 -0.70 105.19 113.13 3gut n GLY 413 Ca -0.07 -1.91 -0.55 0.00 0.00 0.00 0.00 46.02 43.49 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 1.39 -1.36 1.61 4.81 -1.20 -1.39 118.16 122.02 3gut n LYS 414 Ca 0.00 0.50 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 3gut n LYS 414 Cb 0.00 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 32.73 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 6.11 0.00 -4.03 5.64 8.25 -1.26 -4.86 115.22 125.07 3gut n HIS 415 Ca 0.27 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.49 3gut n HIS 415 Cb 0.18 -2.52 -0.04 0.00 1.12 0.00 0.00 29.99 28.72 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 -3.47 0.67 -1.72 0.00 2.12 0.50 -4.79 118.70 112.02 3gut s GLU 417 Ca 0.33 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 55.99 3gut s GLU 417 Cb -0.10 0.32 0.13 0.00 0.26 0.00 0.00 34.13 34.75 3gut s GLU 417 CO 0.26 -0.15 0.40 -0.25 -0.54 0.00 0.00 175.26 174.99 3gut n ASP 418 N 1.63 -0.94 -0.02 -1.70 8.00 -1.26 0.15 116.55 122.41 3gut n ASP 418 Ca -0.13 -1.22 -0.00 0.00 0.71 0.00 0.00 54.79 54.15 3gut n ASP 418 Cb 0.57 -1.83 -0.00 0.00 -0.02 0.00 0.00 41.12 39.84 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 -1.69 0.30 3.21 0.44 0.00 -1.26 -4.98 105.19 101.21 3gut n GLY 419 Ca -0.07 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 1.44 -0.23 1.61 1.01 0.12 -3.59 120.40 119.19 3gut s VAL 420 Ca 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 3gut s VAL 420 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3gut s VAL 420 CO 0.00 0.09 0.06 0.00 0.00 0.00 0.00 175.10 175.25 3gut s THR 422 N 1.29 1.39 0.14 0.00 2.01 -0.88 -0.86 115.64 118.73 3gut s THR 422 Ca 0.05 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3gut s THR 422 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3gut s THR 422 CO 0.03 0.27 -0.06 0.68 -0.69 0.00 0.00 174.62 174.86 3gut s VAL 423 N 1.53 0.87 -0.00 3.82 -7.23 -1.13 -4.84 120.40 113.41 3gut s VAL 423 Ca 0.02 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3gut s VAL 423 Cb -0.14 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3gut s VAL 423 CO -0.09 -0.70 0.03 0.42 -0.31 0.00 0.00 175.10 174.45 3gut s THR 424 N -3.52 4.35 -0.50 5.32 -4.23 -1.26 -1.97 115.64 113.83 3gut s THR 424 Ca 0.17 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.96 3gut s THR 424 Cb 0.05 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.99 3gut s THR 424 CO -0.00 0.37 0.57 0.00 -0.54 0.00 0.00 174.62 175.01 3gut s ALA 425 N -1.13 3.43 0.26 3.99 0.00 0.10 -4.96 121.76 123.46 3gut s ALA 425 Ca 0.21 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.23 3gut s ALA 425 Cb -0.12 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3gut s ALA 425 CO 0.12 -1.95 -0.08 0.41 0.00 0.00 0.00 175.76 174.26 3gut n GLY 426 N 5.18 -1.63 0.26 0.00 0.00 -1.04 -3.39 105.19 104.56 3gut n GLY 426 Ca -0.08 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.03 0.00 0.00 1.61 0.13 -1.96 -3.30 132.00 128.45 3gut h PRO 427 Ca -0.20 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.62 3gut h PRO 427 Cb 0.71 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.79 3gut h PRO 427 CO 0.20 0.14 -2.09 1.63 -0.23 0.00 0.00 178.00 177.65 3gut n LYS 428 N -3.55 0.44 -3.04 0.86 5.02 -1.26 -1.87 118.16 114.76 3gut n LYS 428 Ca -0.01 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3gut n LYS 428 Cb 0.28 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 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 -6.35 6.44 -0.23 4.39 -1.08 -1.24 -4.86 116.67 113.75 3gut s ASP 429 Ca -0.27 0.09 0.14 0.00 -0.52 0.00 0.00 52.55 51.99 3gut s ASP 429 Cb 0.09 -2.35 0.81 0.00 -1.46 0.00 0.00 42.92 40.01 3gut s ASP 429 CO 0.39 -0.71 1.74 0.23 0.52 0.00 0.00 175.17 177.33 3gut n MET 430 N 6.29 4.79 -3.77 4.34 2.81 -1.26 -2.51 117.12 127.81 3gut n MET 430 Ca 0.00 -3.15 -0.36 0.00 -1.81 0.00 0.00 57.70 52.38 3gut n MET 430 Cb 0.48 -2.24 -0.13 0.00 -0.71 0.00 0.00 33.22 30.63 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 -2.70 4.12 -0.08 2.03 1.01 -1.26 -0.40 120.40 123.12 3gut s VAL 431 Ca 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3gut s VAL 431 Cb 0.41 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3gut s VAL 431 CO 0.17 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3gut s VAL 432 N 1.58 4.07 0.35 2.92 1.01 -1.11 -4.94 120.40 124.28 3gut s VAL 432 Ca 0.06 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3gut s VAL 432 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3gut s VAL 432 CO 0.02 0.60 0.08 -0.83 0.00 0.00 0.00 175.10 174.97 3gut s GLY 433 N -0.88 2.07 -0.42 4.51 0.00 -1.25 0.49 107.32 111.83 3gut s GLY 433 Ca 0.13 -1.95 0.04 0.00 0.00 0.00 0.00 44.72 42.95 3gut s GLY 433 CO 0.02 -1.86 0.40 0.69 0.00 0.00 0.00 173.10 172.35 3gut n PHE 434 N -1.06 -1.34 -2.50 1.90 3.72 0.63 -4.96 117.46 113.86 3gut n PHE 434 Ca -0.03 -3.04 -0.25 0.00 -0.05 0.00 0.00 57.45 54.08 3gut n PHE 434 Cb 0.62 0.43 0.14 0.00 -0.94 0.00 0.00 39.48 39.73 3gut n PHE 434 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gut s ALA 435 N 0.15 3.47 -1.25 4.37 0.00 -1.26 -4.46 121.76 122.79 3gut s ALA 435 Ca 0.33 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 3gut s ALA 435 Cb 0.04 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.12 3gut s ALA 435 CO -0.18 -1.77 0.33 -1.71 0.00 0.00 0.00 175.76 172.43 3gut n ASN 436 N -3.07 -1.58 -4.34 0.00 4.05 -1.26 -4.75 115.26 104.31 3gut n ASN 436 Ca 0.17 -1.18 -0.34 0.00 0.45 0.00 0.00 54.58 53.68 3gut n ASN 436 Cb 0.61 -1.44 -0.14 0.00 1.23 0.00 0.00 39.78 40.04 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 -7.15 2.87 0.12 1.20 2.96 -1.26 -3.27 118.68 114.14 3gut s LEU 437 Ca 0.24 -0.35 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 3gut s LEU 437 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3gut s LEU 437 CO 0.90 0.05 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.90 3gut s GLY 438 N 1.04 1.48 -0.10 7.98 0.00 0.12 0.03 107.32 117.88 3gut s GLY 438 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.21 3gut s GLY 438 CO -0.01 -1.38 0.27 -0.42 0.00 0.00 0.00 173.10 171.57 3gut s ILE 439 N -1.07 5.29 -0.53 0.90 -1.09 -1.26 0.12 121.20 123.55 3gut s ILE 439 Ca 0.12 0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 59.00 3gut s ILE 439 Cb -0.10 -3.58 0.14 0.00 -1.58 0.00 0.00 42.46 37.34 3gut s ILE 439 CO 0.05 0.52 0.37 -0.22 -1.23 0.00 0.00 174.94 174.43 3gut s LEU 440 N -0.46 5.51 -0.21 2.97 2.96 0.74 -2.14 118.68 128.04 3gut s LEU 440 Ca 0.18 -2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 51.47 3gut s LEU 440 Cb -0.14 -1.92 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 3gut s LEU 440 CO 0.07 -0.53 2.17 1.57 -1.32 0.00 0.00 176.35 178.30 3gut n HIS 441 N 4.27 1.98 -1.54 5.38 -0.00 -0.59 -2.91 115.22 121.81 3gut n HIS 441 Ca 0.01 -0.07 -0.30 0.00 -0.00 0.00 0.00 57.72 57.35 3gut n HIS 441 Cb 0.40 -2.70 0.08 0.00 -0.00 0.00 0.00 29.99 27.78 3gut n HIS 441 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3gut s VAL 442 N 7.48 3.26 0.46 3.57 -7.23 -1.26 -4.29 120.40 122.39 3gut s VAL 442 Ca 1.01 0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 61.51 3gut s VAL 442 Cb -0.46 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 3gut s VAL 442 CO 0.39 -0.53 0.79 0.42 -0.31 0.00 0.00 175.10 175.86 3gut s THR 443 N -3.12 4.86 0.20 5.32 -4.23 -1.26 -4.98 115.64 112.43 3gut s THR 443 Ca 0.60 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 61.42 3gut s THR 443 Cb -0.14 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 69.98 3gut s THR 443 CO 0.54 -0.73 1.69 0.50 -0.54 0.00 0.00 174.62 176.09 3gut h LYS 444 N 0.61 1.11 0.00 3.99 3.64 -1.99 -2.28 116.57 121.64 3gut h LYS 444 Ca -0.47 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 58.60 3gut h LYS 444 Cb 1.20 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3gut h LYS 444 CO 0.63 1.01 -0.07 0.87 -2.27 0.00 0.00 179.45 179.62 3gut h LYS 445 N 1.04 0.00 -0.21 1.90 1.57 -2.04 -2.79 116.57 116.03 3gut h LYS 445 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3gut h LYS 445 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3gut h LYS 445 CO 0.01 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 3gut n LYS 446 N -3.25 2.63 -0.05 3.15 5.02 -1.09 -4.71 118.16 119.86 3gut n LYS 446 Ca -0.00 -2.50 -0.03 0.00 -2.02 0.00 0.00 58.31 53.75 3gut n LYS 446 Cb 0.30 -1.58 0.21 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.38 1.23 0.40 -0.18 2.07 -1.13 -2.64 116.25 117.39 3gut h VAL 447 Ca 0.00 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3gut h VAL 447 Cb 1.13 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3gut h VAL 447 CO 0.11 0.34 -0.19 0.15 0.02 0.00 0.00 177.57 178.00 3gut h PHE 448 N 0.60 -0.50 -0.51 1.57 3.04 -1.84 -2.81 116.94 116.49 3gut h PHE 448 Ca 0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3gut h PHE 448 Cb 0.46 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 3gut h PHE 448 CO 0.02 -0.29 0.33 1.05 -2.02 0.00 0.00 178.31 177.40 3gut h GLU 449 N -1.13 0.67 -0.03 1.11 4.11 -1.91 0.35 114.58 117.75 3gut h GLU 449 Ca -0.06 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.17 3gut h GLU 449 Cb 0.44 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3gut h GLU 449 CO 0.09 0.46 -0.72 1.15 0.07 0.00 0.00 179.01 180.06 3gut h THR 450 N 0.69 1.45 -0.25 -1.06 2.02 -1.60 -0.33 112.91 113.83 3gut h THR 450 Ca 0.19 -2.28 -0.19 0.00 0.77 0.00 0.00 66.41 64.89 3gut h THR 450 Cb -0.06 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3gut h THR 450 CO -0.04 0.67 -0.61 0.25 0.37 0.00 0.00 175.52 176.16 3gut h LEU 451 N 0.12 0.94 -1.20 2.58 7.12 -1.08 -1.42 115.31 122.38 3gut h LEU 451 Ca -0.02 -0.54 -0.08 0.00 0.13 0.00 0.00 57.88 57.37 3gut h LEU 451 Cb 1.27 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 3gut h LEU 451 CO 0.11 1.33 -0.35 -0.08 -0.13 0.00 0.00 178.44 179.32 3gut h GLU 452 N 0.62 0.09 0.00 1.25 4.81 -0.12 -2.26 114.58 118.98 3gut h GLU 452 Ca -0.00 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 3gut h GLU 452 Cb 1.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3gut h GLU 452 CO 0.13 0.43 -0.79 0.00 -0.73 0.00 0.00 179.01 178.06 3gut h ALA 453 N 1.57 0.60 -0.03 2.92 0.00 -0.86 -3.14 119.26 120.32 3gut h ALA 453 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 54.91 54.00 3gut h ALA 453 Cb 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gut h ALA 453 CO 0.05 0.99 -0.84 0.00 0.00 0.00 0.00 179.25 179.44 3gut h ARG 454 N 0.00 0.37 0.00 0.00 2.47 -0.91 -2.84 114.38 113.47 3gut h ARG 454 Ca -0.01 -0.36 -0.10 0.00 -1.26 0.00 0.00 59.98 58.26 3gut h ARG 454 Cb 1.49 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.88 3gut h ARG 454 CO 0.10 1.02 -0.46 0.52 0.56 0.00 0.00 179.97 181.71 3gut h MET 455 N 0.23 0.00 0.01 0.04 2.86 -1.48 -2.66 114.93 113.93 3gut h MET 455 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3gut h MET 455 Cb 1.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 3gut h MET 455 CO 0.14 0.46 -0.01 1.15 1.06 0.00 0.00 176.91 179.72 3gut h THR 456 N 0.00 1.44 0.00 2.22 2.02 -1.53 -2.56 112.91 114.50 3gut h THR 456 Ca -0.00 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3gut h THR 456 Cb 0.93 2.37 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3gut h THR 456 CO 0.06 0.36 -0.08 -0.33 0.37 0.00 0.00 175.52 175.90 3gut h GLU 457 N -0.62 0.00 0.00 6.66 5.08 -1.50 -0.33 114.58 123.87 3gut h GLU 457 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3gut h GLU 457 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3gut h GLU 457 CO 0.00 0.08 -0.77 0.00 -1.00 0.00 0.00 179.01 177.32 3gut h ALA 458 N 1.92 0.64 0.01 3.43 0.00 -1.51 -2.82 119.26 120.93 3gut h ALA 458 Ca -0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 3gut h ALA 458 Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3gut h ALA 458 CO 0.01 0.11 -1.44 0.00 0.00 0.00 0.00 179.25 177.92 3gut h ILE 460 N 0.01 1.29 -0.00 0.00 2.04 -1.18 -3.25 117.51 116.41 3gut h ILE 460 Ca -0.18 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3gut h ILE 460 Cb 1.93 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 3gut h ILE 460 CO 0.10 0.64 -0.32 0.54 0.00 0.00 0.00 178.15 179.12 3gut n ARG 461 N -3.95 0.43 -2.65 2.37 5.12 -1.07 -4.13 116.66 112.79 3gut n ARG 461 Ca -0.09 -0.23 -0.14 0.00 -1.93 0.00 0.00 57.85 55.46 3gut n ARG 461 Cb 0.78 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.60 3gut n ARG 461 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gut n GLY 462 N 1.41 -0.11 3.34 -0.13 0.00 -0.97 -4.22 105.19 104.51 3gut n GLY 462 Ca 0.09 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 3gut n GLY 462 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gut n TYR 463 N -4.05 4.52 -3.75 1.61 4.01 -0.03 -3.18 117.16 116.29 3gut n TYR 463 Ca -0.09 -3.19 -0.27 0.00 -0.16 0.00 0.00 57.90 54.19 3gut n TYR 463 Cb 0.59 -2.20 0.05 0.00 -0.31 0.00 0.00 39.34 37.47 3gut n TYR 463 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3gut n ASN 464 N 5.57 -5.09 -0.31 7.72 4.13 -1.26 -4.86 115.26 121.16 3gut n ASN 464 Ca 0.39 -0.68 0.18 0.00 1.68 0.00 0.00 54.58 56.15 3gut n ASN 464 Cb 0.42 -4.42 0.44 0.00 -1.54 0.00 0.00 39.78 34.67 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 -2.32 0.53 -0.06 3.52 0.11 -1.80 -2.62 132.00 129.35 3gut h PRO 465 Ca -0.58 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.36 3gut h PRO 465 Cb 1.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gut h PRO 465 CO 0.61 0.35 -0.58 0.78 -0.21 0.00 0.00 178.00 178.95 3gut h GLY 466 N 0.54 0.21 1.37 -0.55 0.00 -1.71 -1.82 103.07 101.11 3gut h GLY 466 Ca 0.55 -0.25 -0.31 0.00 0.00 0.00 0.00 47.33 47.32 3gut h GLY 466 CO -0.30 0.22 -1.42 1.41 0.00 0.00 0.00 176.54 176.45 3gut h LEU 467 N 0.14 0.61 0.00 3.11 4.07 -1.73 -3.19 115.31 118.33 3gut h LEU 467 Ca -0.00 -0.69 -0.37 0.00 0.08 0.00 0.00 57.88 56.90 3gut h LEU 467 Cb 1.06 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.54 3gut h LEU 467 CO 0.09 1.55 -2.33 0.18 -1.08 0.00 0.00 178.44 176.84 3gut n LEU 468 N -3.60 0.91 -0.09 1.67 4.77 -1.06 -4.56 117.00 115.03 3gut n LEU 468 Ca -0.14 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 3gut n LEU 468 Cb 1.07 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 42.17 3gut n LEU 468 CO 0.56 0.61 -0.69 0.52 -1.33 0.00 0.00 177.39 177.06 3gut n VAL 469 N -2.93 1.48 -3.64 4.08 0.31 -0.70 -2.93 118.33 114.01 3gut n VAL 469 Ca -0.35 0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 3gut n VAL 469 Cb 1.10 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.58 -0.58 0.24 3.52 2.46 -1.12 -4.83 115.29 112.40 3gut s HIS 470 Ca -0.26 1.37 -0.09 0.00 0.47 0.00 0.00 55.06 56.55 3gut s HIS 470 Cb 0.05 0.35 0.39 0.00 -0.13 0.00 0.00 32.58 33.25 3gut s HIS 470 CO 0.39 -0.28 1.62 0.77 -2.47 0.00 0.00 174.74 174.78 3gut h SER 471 N 4.64 -0.49 -0.54 9.88 0.02 -1.84 -2.23 113.55 122.99 3gut h SER 471 Ca -0.28 0.21 -0.33 0.00 -0.84 0.00 0.00 61.79 60.54 3gut h SER 471 Cb 1.18 0.39 -0.14 0.00 0.14 0.00 0.00 62.40 63.97 3gut h SER 471 CO 0.10 -0.21 0.38 -0.90 -1.14 0.00 0.00 176.83 175.06 3gut n ASP 472 N -5.41 6.40 -0.03 3.07 5.68 -1.26 -3.36 116.55 121.64 3gut n ASP 472 Ca 0.12 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.37 3gut n ASP 472 Cb 0.44 -1.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 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 0.53 0.59 0.05 -2.12 7.94 -0.84 -4.78 117.00 118.38 3gut n LEU 473 Ca 0.32 -0.67 0.11 0.00 -1.11 0.00 0.00 56.01 54.65 3gut n LEU 473 Cb 0.58 -0.01 0.44 0.00 0.53 0.00 0.00 43.42 44.95 3gut n LEU 473 CO 0.35 0.17 0.83 0.00 -1.11 0.00 0.00 177.39 177.63 3gut n ALA 474 N -0.17 1.89 0.38 1.96 0.00 -1.21 -3.09 120.51 120.26 3gut n ALA 474 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3gut n ALA 474 Cb 0.45 -1.36 0.53 0.00 0.00 0.00 0.00 19.45 19.07 3gut n ALA 474 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3gut h TYR 475 N 0.00 0.00 -2.02 0.00 -0.00 -1.88 -3.38 116.97 109.68 3gut h TYR 475 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 58.73 57.99 3gut h TYR 475 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 36.73 36.96 3gut h TYR 475 CO 0.00 0.00 1.49 1.28 -0.00 0.00 0.00 178.16 180.93 3gut n LEU 476 N -2.49 5.58 -4.88 0.10 4.77 -1.18 -5.01 117.00 113.89 3gut n LEU 476 Ca 0.02 -4.53 -0.34 0.00 -0.03 0.00 0.00 56.01 51.13 3gut n LEU 476 Cb 0.27 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 3gut n LEU 476 CO 0.23 0.91 -0.05 -1.10 -1.33 0.00 0.00 177.39 176.05 3gut s GLN 477 N 1.16 3.59 -0.52 3.23 -1.52 -1.26 -4.39 119.66 119.95 3gut s GLN 477 Ca 0.42 -0.07 -0.19 0.00 -1.95 0.00 0.00 55.36 53.57 3gut s GLN 477 Cb 0.00 -3.07 -0.19 0.00 -0.22 0.00 0.00 33.01 29.54 3gut s GLN 477 CO 0.00 0.64 1.60 0.00 -0.25 0.00 0.00 175.29 177.28 3gut n ALA 478 N 1.06 0.36 -2.00 6.09 0.00 -1.19 -3.44 120.51 121.40 3gut n ALA 478 Ca -0.11 -1.87 -0.40 0.00 0.00 0.00 0.00 53.44 51.07 3gut n ALA 478 Cb 0.53 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 6.82 4.61 -1.60 0.00 -0.58 -1.26 -4.40 120.64 124.24 3gut n GLU 479 Ca 0.29 -3.48 -0.19 0.00 -0.42 0.00 0.00 57.16 53.36 3gut n GLU 479 Cb 0.45 -2.63 -0.08 0.00 -0.57 0.00 0.00 31.44 28.61 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 1.70 1.63 0.00 0.62 0.00 -1.26 -4.03 105.19 103.85 3gut n GLY 480 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.39 -0.00 3.26 -0.02 0.00 -1.26 -5.05 105.19 101.72 3gut n GLY 481 Ca -0.19 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 0.03 1.63 -0.02 0.00 -1.22 -2.26 105.19 103.34 3gut n GLY 482 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 8.91 -2.45 0.00 1.61 9.92 -1.26 -4.49 116.55 128.79 3gut n ASP 483 Ca 0.21 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 3gut n ASP 483 Cb 0.40 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 -1.20 0.00 -3.57 -1.24 0.63 -0.96 -4.13 116.66 106.19 3gut n ARG 484 Ca -0.00 0.24 -0.27 0.00 -0.92 0.00 0.00 57.85 56.91 3gut n ARG 484 Cb 0.50 -1.54 -0.16 0.00 0.45 0.00 0.00 32.46 31.72 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 -2.43 0.13 0.22 -0.14 -0.21 -1.26 -5.02 119.66 110.96 3gut s GLN 485 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 3gut s GLN 485 Cb 0.00 -1.47 -0.10 0.00 1.00 0.00 0.00 33.01 32.44 3gut s GLN 485 CO 0.00 -0.83 1.45 -0.51 -2.12 0.00 0.00 175.29 173.28 3gut s LEU 486 N 2.14 4.38 0.00 2.90 1.02 -1.26 -5.03 118.68 122.84 3gut s LEU 486 Ca 0.06 2.62 -0.13 0.00 0.02 0.00 0.00 54.13 56.69 3gut s LEU 486 Cb -0.16 -3.61 0.19 0.00 0.02 0.00 0.00 46.19 42.63 3gut s LEU 486 CO -0.22 -0.71 0.67 0.35 0.02 0.00 0.00 176.35 176.46 3gut n THR 487 N 2.77 0.00 0.05 5.49 -2.24 -1.26 -4.90 114.28 114.18 3gut n THR 487 Ca 0.08 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 3gut n THR 487 Cb 0.40 -1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.16 0.00 1.03 3.42 5.19 -2.00 -3.19 116.42 118.71 3gut h ASP 488 Ca -0.26 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.03 3gut h ASP 488 Cb 0.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 3gut h ASP 488 CO 0.17 0.74 -0.60 -0.09 -3.12 0.00 0.00 179.24 176.33 3gut h ARG 489 N 0.00 0.00 0.00 3.56 1.12 -2.00 -3.09 114.38 113.97 3gut h ARG 489 Ca -0.13 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.56 3gut h ARG 489 Cb 1.67 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.61 3gut h ARG 489 CO 0.07 0.60 -0.85 0.93 -3.11 0.00 0.00 179.97 177.61 3gut h GLU 490 N 0.00 0.03 0.00 0.20 5.08 -1.93 -2.76 114.58 115.19 3gut h GLU 490 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3gut h GLU 490 Cb 1.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3gut h GLU 490 CO 0.08 0.86 -0.27 0.87 -1.00 0.00 0.00 179.01 179.55 3gut h LYS 491 N 0.01 0.00 0.07 2.33 1.57 -1.53 -2.64 116.57 116.39 3gut h LYS 491 Ca -0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 3gut h LYS 491 Cb 1.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 3gut h LYS 491 CO 0.11 0.27 -1.09 0.93 -0.57 0.00 0.00 179.45 179.10 3gut h GLU 492 N 0.00 0.28 -0.36 3.15 4.39 -1.46 -2.33 114.58 118.25 3gut h GLU 492 Ca -0.00 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 3gut h GLU 492 Cb 0.68 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3gut h GLU 492 CO 0.03 1.13 0.17 0.82 -1.16 0.00 0.00 179.01 180.01 3gut h ILE 493 N 0.12 1.17 -0.45 3.13 1.08 -1.19 -2.18 117.51 119.19 3gut h ILE 493 Ca -0.10 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 63.79 3gut h ILE 493 Cb 1.78 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 3gut h ILE 493 CO 0.18 0.18 -0.05 0.40 -0.69 0.00 0.00 178.15 178.17 3gut h ILE 494 N 0.45 1.27 -0.81 -0.67 5.03 -1.54 -1.05 117.51 120.18 3gut h ILE 494 Ca 0.12 -1.13 -0.00 0.00 -0.12 0.00 0.00 64.86 63.73 3gut h ILE 494 Cb 0.14 1.10 -0.04 0.00 -3.03 0.00 0.00 36.82 34.99 3gut h ILE 494 CO -0.01 0.39 0.50 -0.09 -0.68 0.00 0.00 178.15 178.25 3gut h ARG 495 N 0.66 1.08 0.06 2.37 9.65 -1.31 0.32 114.38 127.22 3gut h ARG 495 Ca 0.12 -0.09 -0.26 0.00 -1.10 0.00 0.00 59.98 58.65 3gut h ARG 495 Cb 0.57 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3gut h ARG 495 CO 0.03 0.75 -1.10 1.96 2.80 0.00 0.00 179.97 184.41 3gut h GLN 496 N 1.11 0.45 -0.31 0.20 4.20 -1.34 -2.89 115.11 116.54 3gut h GLN 496 Ca 0.29 -0.57 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 3gut h GLN 496 Cb -0.07 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3gut h GLN 496 CO -0.06 1.22 -0.38 0.00 -0.67 0.00 0.00 178.83 178.94 3gut h ALA 497 N 0.56 0.73 0.54 3.87 0.00 -0.84 -2.54 119.26 121.59 3gut h ALA 497 Ca -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3gut h ALA 497 Cb 1.77 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.44 3gut h ALA 497 CO 0.20 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.84 3gut h ALA 498 N 0.95 -0.73 -0.51 0.00 0.00 -0.44 -1.73 119.26 116.81 3gut h ALA 498 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3gut h ALA 498 Cb 0.93 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3gut h ALA 498 CO 0.08 -0.84 0.34 -0.24 0.00 0.00 0.00 179.25 178.60 3gut h VAL 499 N -0.88 1.07 0.10 0.00 3.04 -1.55 -1.59 116.25 116.45 3gut h VAL 499 Ca -0.07 -0.21 -0.28 0.00 -1.01 0.00 0.00 66.70 65.13 3gut h VAL 499 Cb 0.61 0.41 0.02 0.00 -2.01 0.00 0.00 31.29 30.33 3gut h VAL 499 CO 0.12 0.11 -1.19 -0.61 -1.01 0.00 0.00 177.57 174.99 3gut h GLN 500 N 0.60 0.52 0.00 4.17 5.75 -1.44 -3.27 115.11 121.44 3gut h GLN 500 Ca 0.20 -0.70 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3gut h GLN 500 Cb 0.08 0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3gut h GLN 500 CO -0.05 1.30 0.00 1.96 -2.65 0.00 0.00 178.83 179.39 3gut h GLN 501 N 0.23 0.00 0.00 1.69 4.20 -1.09 -3.22 115.11 116.92 3gut h GLN 501 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3gut h GLN 501 Cb 1.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.65 3gut h GLN 501 CO 0.22 0.00 -0.43 0.25 -0.67 0.00 0.00 178.83 178.20 3gut n THR 502 N -2.73 0.29 1.90 -0.54 -2.24 -0.62 -3.39 114.28 106.96 3gut n THR 502 Ca 0.04 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 3gut n THR 502 Cb 0.44 -0.17 0.91 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.96 0.94 -2.80 -0.78 2.85 -1.21 -4.23 118.16 110.96 3gut n LYS 503 Ca 0.04 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.21 3gut n LYS 503 Cb 0.41 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.01 0.85 -3.96 -1.58 -0.58 -1.22 -5.12 120.64 108.02 3gut n GLU 504 Ca 0.23 -1.97 -0.30 0.00 -0.42 0.00 0.00 57.16 54.70 3gut n GLU 504 Cb 0.11 -1.33 -0.16 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.30 1.80 -0.88 3.49 1.75 -1.25 -5.02 119.30 119.49 3gut s MET 505 Ca 0.30 -0.74 -0.25 0.00 -1.25 0.00 0.00 55.69 53.75 3gut s MET 505 Cb 0.25 -2.29 -0.00 0.00 2.84 0.00 0.00 34.83 35.62 3gut s MET 505 CO -0.17 -0.44 1.71 0.34 -0.65 0.00 0.00 175.02 175.80 3gut s ASP 506 N 1.48 5.70 0.00 1.11 -1.08 -1.26 -4.79 116.67 117.82 3gut s ASP 506 Ca -0.01 -0.75 0.04 0.00 -0.52 0.00 0.00 52.55 51.31 3gut s ASP 506 Cb -0.16 -2.56 0.21 0.00 -1.46 0.00 0.00 42.92 38.95 3gut s ASP 506 CO -0.08 -2.21 0.55 0.18 0.52 0.00 0.00 175.17 174.13 3gut n LEU 507 N 11.71 0.00 -0.42 -1.34 4.32 -1.26 -1.50 117.00 128.51 3gut n LEU 507 Ca 0.31 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.36 3gut n LEU 507 Cb 0.49 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.33 3gut n LEU 507 CO 0.65 0.00 0.37 -1.20 -1.22 0.00 0.00 177.39 175.99 3gut n SER 508 N -0.72 1.81 -3.88 -1.43 7.64 -1.26 -4.93 113.62 110.84 3gut n SER 508 Ca 0.03 -1.40 -0.12 0.00 1.01 0.00 0.00 58.87 58.39 3gut n SER 508 Cb 0.01 0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.22 0.02 0.11 0.44 1.01 -0.56 -1.90 120.40 118.30 3gut s VAL 509 Ca 0.13 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3gut s VAL 509 Cb 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.38 3gut s VAL 509 CO 0.21 -0.11 0.35 0.54 0.00 0.00 0.00 175.10 176.09 3gut s VAL 510 N -0.31 0.08 0.02 2.92 0.11 -0.85 -4.60 120.40 117.77 3gut s VAL 510 Ca -0.04 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.35 3gut s VAL 510 Cb -0.02 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 3gut s VAL 510 CO -0.00 -0.39 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.15 3gut s ARG 511 N -3.64 0.72 0.19 1.54 0.52 -0.37 -0.89 118.95 117.01 3gut s ARG 511 Ca 0.02 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 3gut s ARG 511 Cb 0.02 -0.67 -0.08 0.00 0.52 0.00 0.00 34.95 34.74 3gut s ARG 511 CO -0.11 0.17 0.68 -0.51 0.02 0.00 0.00 175.30 175.55 3gut s LEU 512 N -0.77 4.38 -0.12 2.53 1.43 -1.26 -0.31 118.68 124.55 3gut s LEU 512 Ca 0.00 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3gut s LEU 512 Cb -0.06 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.78 3gut s LEU 512 CO 0.00 0.09 0.03 -0.32 0.23 0.00 0.00 176.35 176.38 3gut s MET 513 N -1.81 0.53 -0.17 1.70 1.75 -0.06 0.33 119.30 121.57 3gut s MET 513 Ca 0.40 -0.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.62 3gut s MET 513 Cb -0.17 -1.43 -0.05 0.00 2.84 0.00 0.00 34.83 36.02 3gut s MET 513 CO 0.21 -0.46 0.31 -0.06 -0.65 0.00 0.00 175.02 174.37 3gut s PHE 514 N 1.96 3.44 -0.13 4.11 0.40 -0.58 -1.33 117.98 125.85 3gut s PHE 514 Ca 0.03 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 3gut s PHE 514 Cb -0.14 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.03 3gut s PHE 514 CO -0.06 0.19 -0.13 0.99 0.70 0.00 0.00 175.22 176.91 3gut s THR 515 N 0.63 1.42 -0.03 0.64 2.01 -0.74 -0.95 115.64 118.62 3gut s THR 515 Ca 0.17 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 3gut s THR 515 Cb -0.13 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 3gut s THR 515 CO 0.05 0.43 0.24 0.00 -0.69 0.00 0.00 174.62 174.65 3gut s ALA 516 N 1.48 3.86 -0.09 7.40 0.00 -1.26 -1.17 121.76 131.99 3gut s ALA 516 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3gut s ALA 516 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3gut s ALA 516 CO -0.09 0.64 -0.20 -0.06 0.00 0.00 0.00 175.76 176.05 3gut s PHE 517 N -1.22 2.13 0.16 0.00 0.08 0.39 -2.04 117.98 117.49 3gut s PHE 517 Ca 0.24 -0.85 0.06 0.00 0.12 0.00 0.00 56.93 56.50 3gut s PHE 517 Cb -0.13 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3gut s PHE 517 CO 0.13 -0.36 0.10 -0.51 -0.10 0.00 0.00 175.22 174.48 3gut s LEU 518 N 0.45 3.69 0.02 -0.37 1.43 0.54 0.05 118.68 124.49 3gut s LEU 518 Ca -0.17 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 3gut s LEU 518 Cb -0.17 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 3gut s LEU 518 CO 0.07 0.08 1.62 -2.16 0.23 0.00 0.00 176.35 176.19 3gut s PRO 519 N -3.05 4.20 0.00 1.29 0.04 -1.26 -1.53 135.00 134.69 3gut s PRO 519 Ca 0.30 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3gut s PRO 519 Cb -0.10 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3gut s PRO 519 CO 0.22 -0.75 0.00 -0.40 0.04 0.00 0.00 177.00 176.12 3gut n ASP 520 N 6.06 0.00 0.10 6.66 3.85 0.25 -4.82 116.55 128.65 3gut n ASP 520 Ca 0.16 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 54.12 3gut n ASP 520 Cb 0.42 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.12 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 -1.12 0.08 -1.12 4.64 -1.96 -2.92 113.55 111.14 3gut h SER 521 Ca 0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3gut h SER 521 Cb 0.00 0.41 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gut h SER 521 CO 0.00 -0.42 -0.05 0.71 -0.87 0.00 0.00 176.83 176.20 3gut h THR 522 N -0.58 0.83 0.00 2.95 1.35 -2.03 -3.46 112.91 111.98 3gut h THR 522 Ca -0.01 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3gut h THR 522 Cb 0.56 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3gut h THR 522 CO -0.18 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 3gut n GLY 523 N -1.27 1.24 3.72 5.82 0.00 -1.10 -5.09 105.19 108.50 3gut n GLY 523 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.99 6.99 -1.02 1.61 0.01 -1.26 -4.53 113.70 113.50 3gut s SER 524 Ca 0.00 2.14 -0.23 0.00 1.31 0.00 0.00 55.95 59.17 3gut s SER 524 Cb 0.00 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.68 3gut s SER 524 CO 0.00 -0.53 1.56 -0.36 0.41 0.00 0.00 173.24 174.32 3gut s PHE 525 N 1.02 2.42 0.00 2.43 0.40 -1.26 -0.58 117.98 122.40 3gut s PHE 525 Ca 0.61 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3gut s PHE 525 Cb -0.32 -4.58 0.00 0.00 0.51 0.00 0.00 43.02 38.63 3gut s PHE 525 CO 0.30 -1.88 0.50 0.25 0.70 0.00 0.00 175.22 175.08 3gut n THR 526 N 7.04 0.03 -2.73 0.64 -2.24 -1.01 -4.72 114.28 111.28 3gut n THR 526 Ca 0.36 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3gut n THR 526 Cb 0.50 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.03 3.18 0.00 -0.78 0.52 -0.58 -4.81 118.95 116.44 3gut s ARG 527 Ca 0.00 -0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 54.28 3gut s ARG 527 Cb 0.00 -4.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.15 3gut s ARG 527 CO 0.00 -1.96 0.85 0.50 0.02 0.00 0.00 175.30 174.71 3gut s ARG 528 N 4.68 4.52 0.33 3.54 3.52 -1.26 -0.34 118.95 133.94 3gut s ARG 528 Ca 0.28 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 57.11 3gut s ARG 528 Cb -0.12 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3gut s ARG 528 CO 0.10 0.08 0.48 -0.51 -0.81 0.00 0.00 175.30 174.64 3gut s LEU 529 N 0.62 4.02 -0.08 -0.88 1.43 -0.87 -5.01 118.68 117.91 3gut s LEU 529 Ca 0.44 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.27 3gut s LEU 529 Cb -0.20 -2.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.05 3gut s LEU 529 CO 0.24 -0.36 2.08 -1.61 0.23 0.00 0.00 176.35 176.93 3gut s GLU 530 N -4.19 3.67 0.37 1.70 0.41 -1.26 -4.57 118.70 114.83 3gut s GLU 530 Ca 0.42 2.33 -0.27 0.00 -0.41 0.00 0.00 54.97 57.04 3gut s GLU 530 Cb -0.09 -4.26 -0.10 0.00 -1.78 0.00 0.00 34.13 27.90 3gut s GLU 530 CO 0.32 -1.49 1.31 -1.25 -0.49 0.00 0.00 175.26 173.66 3gut s PRO 531 N 5.33 4.16 -0.15 0.39 0.04 -1.26 -4.56 135.00 138.95 3gut s PRO 531 Ca 0.94 2.20 0.01 0.00 0.04 0.00 0.00 61.00 64.18 3gut s PRO 531 Cb -0.38 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3gut s PRO 531 CO 0.38 -0.35 -0.17 0.54 0.04 0.00 0.00 177.00 177.45 3gut s VAL 532 N -1.20 2.53 0.48 -0.36 0.11 -0.12 -4.95 120.40 116.88 3gut s VAL 532 Ca 0.53 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 3gut s VAL 532 Cb -0.39 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 3gut s VAL 532 CO 0.51 0.52 0.79 0.68 -3.33 0.00 0.00 175.10 174.28 3gut s VAL 533 N 0.83 4.89 0.38 2.04 -7.23 -1.26 -1.53 120.40 118.51 3gut s VAL 533 Ca -0.05 0.29 0.08 0.00 -1.81 0.00 0.00 61.98 60.48 3gut s VAL 533 Cb -0.15 -3.85 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 3gut s VAL 533 CO -0.01 -0.82 0.38 -0.94 -0.31 0.00 0.00 175.10 173.41 3gut s SER 534 N -3.97 5.31 0.79 4.85 1.04 0.15 -4.97 113.70 116.90 3gut s SER 534 Ca 0.48 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 3gut s SER 534 Cb -0.10 -0.79 0.11 0.00 0.10 0.00 0.00 66.02 65.34 3gut s SER 534 CO 0.43 -0.54 0.26 0.47 0.98 0.00 0.00 173.24 174.84 3gut n ASP 535 N -1.54 -2.25 -4.79 7.02 10.43 -1.26 -4.51 116.55 119.65 3gut n ASP 535 Ca 0.02 -0.26 -0.35 0.00 2.57 0.00 0.00 54.79 56.77 3gut n ASP 535 Cb 0.60 -0.45 -0.07 0.00 1.84 0.00 0.00 41.12 43.04 3gut n ASP 535 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gut s ALA 536 N -2.03 3.62 -0.17 2.24 0.00 -1.26 -4.42 121.76 119.74 3gut s ALA 536 Ca 0.20 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3gut s ALA 536 Cb -0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3gut s ALA 536 CO 0.17 0.64 -0.09 0.42 0.00 0.00 0.00 175.76 176.89 3gut s ILE 537 N -1.05 3.18 -0.27 0.00 1.01 -0.07 -4.22 121.20 119.77 3gut s ILE 537 Ca 0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 3gut s ILE 537 Cb -0.12 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3gut s ILE 537 CO 0.07 0.48 0.11 -0.31 0.00 0.00 0.00 174.94 175.29 3gut s TYR 538 N 0.91 3.13 0.10 3.97 2.02 0.56 -2.00 117.35 126.04 3gut s TYR 538 Ca -0.02 -0.40 -0.36 0.00 -0.37 0.00 0.00 57.07 55.92 3gut s TYR 538 Cb -0.15 -2.29 -0.17 0.00 -0.40 0.00 0.00 41.96 38.95 3gut s TYR 538 CO 0.00 -0.36 1.10 -3.47 -1.57 0.00 0.00 175.55 171.24 3gut n ASP 539 N 4.96 0.66 -0.07 2.29 2.03 -0.80 -4.19 116.55 121.43 3gut n ASP 539 Ca -0.15 1.14 0.14 0.00 0.52 0.00 0.00 54.79 56.44 3gut n ASP 539 Cb 0.51 -1.08 0.55 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.96 0.39 -1.49 1.67 3.41 1.00 -3.19 113.62 117.37 3gut n SER 540 Ca 0.18 -0.31 0.04 0.00 -0.26 0.00 0.00 58.87 58.52 3gut n SER 540 Cb 0.18 -0.10 0.28 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.15 3.63 -3.59 4.33 4.81 -1.26 -4.30 118.16 120.62 3gut n LYS 541 Ca 0.11 -2.19 -0.36 0.00 -0.87 0.00 0.00 58.31 55.00 3gut n LYS 541 Cb 0.30 -2.03 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 3gut n LYS 541 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gut s ALA 542 N -2.23 3.62 0.49 3.14 0.00 -1.19 -4.96 121.76 120.63 3gut s ALA 542 Ca 0.38 -0.62 0.16 0.00 0.00 0.00 0.00 51.96 51.88 3gut s ALA 542 Cb 0.29 -2.35 1.20 0.00 0.00 0.00 0.00 23.12 22.26 3gut s ALA 542 CO 0.11 -0.01 2.09 -1.35 0.00 0.00 0.00 175.76 176.60 3gut h PRO 543 N 6.96 0.00 -0.97 0.00 0.11 -1.91 -1.06 132.00 135.13 3gut h PRO 543 Ca -0.40 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.42 3gut h PRO 543 Cb 1.16 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 3gut h PRO 543 CO 0.73 0.07 0.37 0.27 -0.21 0.00 0.00 178.00 179.24 3gut n ASN 544 N -4.40 3.53 -0.44 -2.05 6.94 -1.26 -4.21 115.26 113.37 3gut n ASN 544 Ca -0.03 -2.97 -0.01 0.00 -0.02 0.00 0.00 54.58 51.55 3gut n ASN 544 Cb 0.15 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 36.85 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 -0.44 0.76 -2.53 -2.53 0.00 -0.44 -5.04 120.51 110.29 3gut n ALA 545 Ca 0.36 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 3gut n ALA 545 Cb 1.20 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.19 6.48 -0.75 0.00 1.04 -0.98 -4.39 113.70 114.90 3gut s SER 546 Ca 0.00 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 56.90 3gut s SER 546 Cb 0.00 -2.14 -0.16 0.00 0.10 0.00 0.00 66.02 63.82 3gut s SER 546 CO 0.00 -0.13 2.44 -0.46 0.98 0.00 0.00 173.24 176.06 3gut n ASN 547 N -0.65 1.19 -4.57 7.02 0.23 -1.26 -4.81 115.26 112.42 3gut n ASN 547 Ca -0.02 -0.65 -0.49 0.00 -0.53 0.00 0.00 54.58 52.89 3gut n ASN 547 Cb 0.53 -1.31 -0.06 0.00 -2.08 0.00 0.00 39.78 36.86 3gut n ASN 547 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gut n LEU 548 N 14.06 2.78 -3.92 -4.53 4.77 -1.26 -4.84 117.00 124.06 3gut n LEU 548 Ca 0.50 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.93 3gut n LEU 548 Cb 0.35 -1.35 -0.14 0.00 -2.33 0.00 0.00 43.42 39.95 3gut n LEU 548 CO 0.77 -0.49 -0.38 -0.75 -1.33 0.00 0.00 177.39 175.21 3gut s LYS 549 N 5.43 0.21 -0.69 3.23 2.20 -1.26 -3.88 119.74 124.97 3gut s LYS 549 Ca 1.02 -0.11 -0.19 0.00 -0.36 0.00 0.00 55.97 56.33 3gut s LYS 549 Cb -0.72 -0.19 0.11 0.00 -1.51 0.00 0.00 37.83 35.53 3gut s LYS 549 CO 0.48 0.05 0.85 0.42 -0.36 0.00 0.00 175.35 176.80 3gut s ILE 550 N -0.10 4.75 0.09 5.43 1.01 -1.26 -2.67 121.20 128.43 3gut s ILE 550 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 3gut s ILE 550 Cb -0.01 -4.59 -0.12 0.00 0.01 0.00 0.00 42.46 37.75 3gut s ILE 550 CO -0.00 -1.27 1.66 0.58 0.00 0.00 0.00 174.94 175.91 3gut h VAL 551 N 5.83 1.11 -2.40 2.92 2.07 -1.68 -3.47 116.25 120.63 3gut h VAL 551 Ca -0.17 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3gut h VAL 551 Cb 1.07 1.11 -0.16 0.00 -1.52 0.00 0.00 31.29 31.79 3gut h VAL 551 CO 1.09 0.10 0.21 -0.60 0.02 0.00 0.00 177.57 178.39 3gut s ARG 552 N -5.76 1.14 -0.05 1.57 3.52 -1.21 -4.98 118.95 113.18 3gut s ARG 552 Ca -0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3gut s ARG 552 Cb 0.07 0.53 0.03 0.00 -1.56 0.00 0.00 34.95 34.01 3gut s ARG 552 CO 0.69 -0.42 0.03 -1.64 -0.81 0.00 0.00 175.30 173.14 3gut s MET 553 N -2.24 0.25 0.61 5.12 -1.94 -1.26 -1.65 119.30 118.19 3gut s MET 553 Ca -0.06 0.23 0.29 0.00 -1.71 0.00 0.00 55.69 54.45 3gut s MET 553 Cb -0.00 -0.71 1.60 0.00 2.01 0.00 0.00 34.83 37.73 3gut s MET 553 CO 0.00 -0.30 1.98 0.38 -0.01 0.00 0.00 175.02 177.08 3gut h ASP 554 N 8.28 0.00 -3.10 3.03 2.03 -1.74 -3.39 116.42 121.52 3gut h ASP 554 Ca -0.18 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.88 3gut h ASP 554 Cb 1.12 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.29 3gut h ASP 554 CO 0.23 0.00 -0.57 -0.60 -1.03 0.00 0.00 179.24 177.27 3gut s ARG 555 N -4.49 0.11 -0.27 4.15 6.06 -1.26 -5.03 118.95 118.22 3gut s ARG 555 Ca -0.04 0.59 0.12 0.00 -2.50 0.00 0.00 55.73 53.90 3gut s ARG 555 Cb 0.14 -0.15 0.58 0.00 0.06 0.00 0.00 34.95 35.57 3gut s ARG 555 CO 0.48 -0.26 1.56 0.25 -2.50 0.00 0.00 175.30 174.83 3gut n THR 556 N 4.99 2.59 -3.98 4.11 -2.24 -1.26 -4.96 114.28 113.53 3gut n THR 556 Ca -0.12 -2.14 -0.08 0.00 -2.27 0.00 0.00 64.05 59.44 3gut n THR 556 Cb 0.51 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.05 0.16 -0.15 6.98 0.00 -1.26 -1.78 121.76 122.66 3gut s ALA 557 Ca 0.47 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 3gut s ALA 557 Cb 0.40 0.40 0.12 0.00 0.00 0.00 0.00 23.12 24.03 3gut s ALA 557 CO 0.07 -0.44 0.94 0.20 0.00 0.00 0.00 175.76 176.53 3gut s GLY 558 N -2.90 -0.31 0.40 0.00 0.00 0.12 -4.88 107.32 99.75 3gut s GLY 558 Ca 0.07 1.96 -0.24 0.00 0.00 0.00 0.00 44.72 46.50 3gut s GLY 558 CO -0.10 1.08 1.10 0.00 0.00 0.00 0.00 173.10 175.19 3gut n VAL 560 N -0.02 1.29 0.20 0.00 0.24 -0.72 -0.44 118.33 118.88 3gut n VAL 560 Ca 0.05 0.65 0.11 0.00 -2.04 0.00 0.00 64.34 63.11 3gut n VAL 560 Cb 0.48 -1.65 0.14 0.00 -1.47 0.00 0.00 33.84 31.34 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 0.08 -1.49 3.34 1.35 -1.89 -1.52 112.91 112.78 3gut h THR 561 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3gut h THR 561 Cb 0.11 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3gut h THR 561 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3gut n GLY 562 N 1.12 -0.48 2.07 5.82 0.00 0.42 -4.48 105.19 109.67 3gut n GLY 562 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 2.79 3.73 -0.02 0.00 0.39 -4.92 105.19 107.16 3gut n GLY 563 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gut n GLY 563 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gut n GLU 564 N -2.00 2.05 -3.20 1.61 1.02 -1.26 -4.33 120.64 114.53 3gut n GLU 564 Ca 0.00 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.48 3gut n GLU 564 Cb 0.00 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 28.87 3gut n GLU 564 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gut s GLU 565 N -2.34 4.38 -0.04 3.49 2.12 -1.26 -0.22 118.70 124.83 3gut s GLU 565 Ca 0.62 0.64 0.05 0.00 0.36 0.00 0.00 54.97 56.63 3gut s GLU 565 Cb -0.48 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 3gut s GLU 565 CO 0.57 0.13 -0.20 0.42 -0.54 0.00 0.00 175.26 175.64 3gut s ILE 566 N 0.67 1.62 -0.12 -3.70 1.09 0.26 -4.98 121.20 116.04 3gut s ILE 566 Ca 0.31 -0.83 -0.10 0.00 -1.10 0.00 0.00 60.65 58.94 3gut s ILE 566 Cb -0.16 -1.38 -0.05 0.00 -1.06 0.00 0.00 42.46 39.81 3gut s ILE 566 CO 0.14 0.46 0.20 -0.31 -0.10 0.00 0.00 174.94 175.33 3gut s TYR 567 N -0.06 3.57 -0.12 3.97 1.51 -1.26 -0.98 117.35 123.98 3gut s TYR 567 Ca -0.03 0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 56.56 3gut s TYR 567 Cb -0.12 -2.08 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 3gut s TYR 567 CO 0.02 0.59 0.24 -1.17 -1.11 0.00 0.00 175.55 174.12 3gut s LEU 568 N -0.62 -0.11 0.25 -1.29 0.20 -1.15 -1.75 118.68 114.21 3gut s LEU 568 Ca 0.15 0.54 -0.05 0.00 0.69 0.00 0.00 54.13 55.46 3gut s LEU 568 Cb -0.13 0.65 -0.05 0.00 -0.43 0.00 0.00 46.19 46.22 3gut s LEU 568 CO 0.04 -0.22 0.51 -0.76 -0.29 0.00 0.00 176.35 175.63 3gut s LEU 569 N 2.14 4.12 0.37 -0.68 1.43 -0.66 -1.09 118.68 124.31 3gut s LEU 569 Ca -0.01 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3gut s LEU 569 Cb -0.12 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3gut s LEU 569 CO -0.08 -0.13 0.60 0.00 0.23 0.00 0.00 176.35 176.97 3gut s ASP 571 N -3.18 6.58 0.00 0.00 1.11 -1.09 -4.75 116.67 115.34 3gut s ASP 571 Ca 0.25 0.88 -0.00 0.00 0.18 0.00 0.00 52.55 53.86 3gut s ASP 571 Cb -0.02 -2.21 -0.00 0.00 1.07 0.00 0.00 42.92 41.75 3gut s ASP 571 CO 0.17 -0.11 0.00 1.17 1.18 0.00 0.00 175.17 177.59 3gut n LYS 572 N -0.34 0.00 -3.46 8.23 0.00 -1.26 -4.73 118.16 116.59 3gut n LYS 572 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 3gut n LYS 572 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.00 0.01 -0.13 3.15 -7.23 -1.13 -4.92 120.40 110.14 3gut s VAL 573 Ca 0.00 -0.09 -0.15 0.00 -1.81 0.00 0.00 61.98 59.93 3gut s VAL 573 Cb -0.01 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 3gut s VAL 573 CO 0.00 -0.05 0.35 -1.58 -0.31 0.00 0.00 175.10 173.51 3gut s GLN 574 N -3.51 4.24 0.18 4.82 2.00 -1.26 -4.61 119.66 121.51 3gut s GLN 574 Ca 0.00 0.22 -0.13 0.00 -2.00 0.00 0.00 55.36 53.45 3gut s GLN 574 Cb -0.01 -3.41 0.14 0.00 0.80 0.00 0.00 33.01 30.54 3gut s GLN 574 CO -0.11 0.26 1.77 1.57 -0.50 0.00 0.00 175.29 178.28 3gut h LYS 575 N 6.50 0.40 0.00 1.67 2.10 -1.92 -2.16 116.57 123.16 3gut h LYS 575 Ca -0.42 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3gut h LYS 575 Cb 1.17 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3gut h LYS 575 CO 0.74 0.26 -0.15 -0.25 -2.00 0.00 0.00 179.45 178.05 3gut n ASP 576 N -4.95 0.43 -2.78 7.07 8.00 -1.26 -4.05 116.55 119.00 3gut n ASP 576 Ca 0.04 0.37 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 3gut n ASP 576 Cb 0.16 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.83 5.60 -3.53 -2.24 2.03 -0.82 -4.97 116.55 110.79 3gut n ASP 577 Ca 0.06 -3.74 -0.13 0.00 0.52 0.00 0.00 54.79 51.50 3gut n ASP 577 Cb 0.38 -0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 40.05 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 -5.11 0.03 -0.06 5.18 2.07 -1.22 -4.13 121.20 117.95 3gut s ILE 578 Ca 0.48 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 59.33 3gut s ILE 578 Cb 0.37 -1.03 0.04 0.00 0.13 0.00 0.00 42.46 41.96 3gut s ILE 578 CO -0.23 -0.12 0.41 -1.10 -1.91 0.00 0.00 174.94 171.99 3gut s GLN 579 N -3.17 0.70 -0.25 3.50 -0.21 -1.06 -4.92 119.66 114.25 3gut s GLN 579 Ca -0.01 0.10 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 3gut s GLN 579 Cb -0.00 0.32 -0.04 0.00 1.00 0.00 0.00 33.01 34.29 3gut s GLN 579 CO -0.08 -0.18 0.13 0.42 -2.12 0.00 0.00 175.29 173.46 3gut s ILE 580 N -0.90 4.91 -0.25 1.08 1.09 -1.26 -0.93 121.20 124.94 3gut s ILE 580 Ca -0.10 0.03 -0.03 0.00 -1.10 0.00 0.00 60.65 59.45 3gut s ILE 580 Cb -0.04 -3.30 0.01 0.00 -1.06 0.00 0.00 42.46 38.08 3gut s ILE 580 CO 0.04 0.33 -0.03 -0.60 -0.10 0.00 0.00 174.94 174.58 3gut s ARG 581 N 1.39 3.01 0.29 2.79 3.52 0.16 -2.14 118.95 127.98 3gut s ARG 581 Ca 0.06 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 54.75 3gut s ARG 581 Cb -0.15 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 3gut s ARG 581 CO 0.06 -0.36 0.55 -0.06 -0.81 0.00 0.00 175.30 174.68 3gut s PHE 582 N 1.39 3.48 -0.04 5.12 0.40 0.53 -1.89 117.98 126.97 3gut s PHE 582 Ca 0.02 0.60 -0.31 0.00 -0.60 0.00 0.00 56.93 56.64 3gut s PHE 582 Cb -0.16 -2.08 0.13 0.00 0.51 0.00 0.00 43.02 41.42 3gut s PHE 582 CO -0.03 0.17 1.31 1.52 0.70 0.00 0.00 175.22 178.89 3gut s TYR 583 N -2.11 -0.04 -0.27 0.36 -0.85 0.45 0.08 117.35 114.97 3gut s TYR 583 Ca 0.43 -0.04 -0.23 0.00 -0.52 0.00 0.00 57.07 56.71 3gut s TYR 583 Cb -0.11 0.54 0.08 0.00 0.38 0.00 0.00 41.96 42.85 3gut s TYR 583 CO 0.31 -0.22 0.76 -2.00 -1.52 0.00 0.00 175.55 172.88 3gut s GLU 584 N -2.35 0.75 0.19 -3.49 2.12 -0.31 0.30 118.70 115.91 3gut s GLU 584 Ca 0.14 0.99 -0.33 0.00 0.36 0.00 0.00 54.97 56.13 3gut s GLU 584 Cb 0.05 0.32 -0.13 0.00 0.26 0.00 0.00 34.13 34.63 3gut s GLU 584 CO -0.04 -0.11 1.61 -1.91 -0.54 0.00 0.00 175.26 174.27 3gut n GLU 585 N 3.03 2.38 -2.01 4.30 4.07 -1.26 -2.29 120.64 128.87 3gut n GLU 585 Ca -0.15 0.86 -0.13 0.00 -0.06 0.00 0.00 57.16 57.68 3gut n GLU 585 Cb 0.56 -2.64 0.06 0.00 -0.06 0.00 0.00 31.44 29.35 3gut n GLU 585 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3gut n GLU 586 N 3.42 0.49 -0.04 5.31 4.07 0.30 -4.90 120.64 129.28 3gut n GLU 586 Ca 0.16 -1.77 -0.13 0.00 -0.06 0.00 0.00 57.16 55.35 3gut n GLU 586 Cb 0.31 -0.27 -0.11 0.00 -0.06 0.00 0.00 31.44 31.31 3gut n GLU 586 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gut h GLU 587 N 0.00 -0.00 0.00 5.31 4.57 -1.95 -3.27 114.58 119.24 3gut h GLU 587 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3gut h GLU 587 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3gut h GLU 587 CO 0.22 0.73 0.00 0.27 -1.18 0.00 0.00 179.01 179.05 3gut n ASN 588 N -4.74 0.00 0.00 1.04 0.23 -1.26 -4.84 115.26 105.69 3gut n ASN 588 Ca -0.09 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.28 3gut n ASN 588 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.18 3.32 0.00 4.83 0.00 -1.24 -5.05 105.19 107.23 3gut n GLY 589 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.33 -2.09 3.01 -0.02 0.00 -1.26 -4.62 105.19 98.88 3gut n GLY 590 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.99 0.00 -0.28 1.61 0.11 -1.26 -0.54 120.40 119.06 3gut s VAL 591 Ca 0.00 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 3gut s VAL 591 Cb 0.00 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 3gut s VAL 591 CO 0.00 -0.02 0.65 0.86 -3.33 0.00 0.00 175.10 173.27 3gut s TRP 592 N 0.00 3.25 0.09 1.54 -0.00 -0.97 -4.92 118.94 117.93 3gut s TRP 592 Ca -0.01 0.75 0.08 0.00 -0.00 0.00 0.00 56.10 56.92 3gut s TRP 592 Cb -0.01 -2.94 -0.04 0.00 -0.00 0.00 0.00 33.47 30.48 3gut s TRP 592 CO 0.00 -0.40 -0.16 -2.00 -0.00 0.00 0.00 176.95 174.39 3gut s GLU 593 N 2.60 1.98 0.04 5.86 2.12 -1.26 -1.17 118.70 128.87 3gut s GLU 593 Ca 0.27 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 54.37 3gut s GLU 593 Cb -0.15 -2.19 0.03 0.00 0.26 0.00 0.00 34.13 32.07 3gut s GLU 593 CO 0.10 0.51 0.37 0.20 -0.54 0.00 0.00 175.26 175.89 3gut s GLY 594 N -1.90 -0.21 0.29 -1.50 0.00 0.11 -4.92 107.32 99.19 3gut s GLY 594 Ca 0.18 0.22 0.09 0.00 0.00 0.00 0.00 44.72 45.20 3gut s GLY 594 CO 0.09 -0.02 -0.10 -1.36 0.00 0.00 0.00 173.10 171.71 3gut s PHE 595 N -2.35 2.13 -0.04 1.90 0.40 -1.26 0.20 117.98 118.96 3gut s PHE 595 Ca -0.06 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 55.53 3gut s PHE 595 Cb -0.01 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 3gut s PHE 595 CO -0.02 0.46 0.51 0.20 0.70 0.00 0.00 175.22 177.07 3gut s GLY 596 N -3.50 2.50 -0.04 4.36 0.00 -0.91 -3.44 107.32 106.31 3gut s GLY 596 Ca 0.30 -0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 3gut s GLY 596 CO 0.13 0.61 0.80 -0.35 0.00 0.00 0.00 173.10 174.30 3gut s ASP 597 N -0.13 7.13 0.00 1.64 2.15 -0.16 -4.73 116.67 122.58 3gut s ASP 597 Ca 0.27 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.62 3gut s ASP 597 Cb -0.17 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3gut s ASP 597 CO 0.14 -0.16 0.00 2.22 -0.17 0.00 0.00 175.17 177.20 3gut n PHE 598 N 3.78 0.00 -4.43 -5.34 1.16 -1.26 -0.78 117.46 110.59 3gut n PHE 598 Ca 0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.35 3gut n PHE 598 Cb 0.51 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.28 3gut n PHE 598 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3gut s SER 599 N 0.00 3.70 0.64 5.98 0.15 -1.26 -5.00 113.70 117.92 3gut s SER 599 Ca 0.00 -0.93 0.16 0.00 0.70 0.00 0.00 55.95 55.89 3gut s SER 599 Cb 0.00 -0.38 0.75 0.00 -1.71 0.00 0.00 66.02 64.68 3gut s SER 599 CO 0.00 0.06 1.37 -0.65 1.20 0.00 0.00 173.24 175.22 3gut h PRO 600 N 2.46 0.00 0.00 5.44 0.11 -1.98 1.21 132.00 139.25 3gut h PRO 600 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 3gut h PRO 600 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gut h PRO 600 CO 0.57 0.00 -0.56 1.79 -0.21 0.00 0.00 178.00 179.59 3gut h THR 601 N 0.00 0.98 0.00 -1.15 1.35 -1.95 -3.07 112.91 109.07 3gut h THR 601 Ca 0.15 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3gut h THR 601 Cb 1.85 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 3gut h THR 601 CO -0.00 0.55 0.00 0.47 -0.25 0.00 0.00 175.52 176.29 3gut n ASP 602 N -3.25 0.00 -4.34 5.36 9.92 0.42 -4.32 116.55 120.33 3gut n ASP 602 Ca 0.02 -0.25 -0.47 0.00 -0.53 0.00 0.00 54.79 53.56 3gut n ASP 602 Cb 0.75 -0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 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 -2.32 5.62 -0.26 2.53 1.01 -1.16 -1.98 120.40 123.84 3gut s VAL 603 Ca 0.22 -2.55 -0.28 0.00 0.00 0.00 0.00 61.98 59.37 3gut s VAL 603 Cb 0.13 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 3gut s VAL 603 CO 0.26 -1.07 2.25 1.57 0.00 0.00 0.00 175.10 178.10 3gut n HIS 604 N 3.95 1.87 -3.53 5.22 -0.00 0.51 -3.60 115.22 119.64 3gut n HIS 604 Ca 0.16 -0.07 -0.25 0.00 0.46 0.00 0.00 57.72 58.02 3gut n HIS 604 Cb 0.46 -2.70 -0.02 0.00 -0.12 0.00 0.00 29.99 27.61 3gut n HIS 604 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3gut n ARG 605 N 8.75 -2.90 0.00 1.57 5.12 -1.26 -1.35 116.66 126.60 3gut n ARG 605 Ca 0.32 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3gut n ARG 605 Cb 0.44 -5.02 0.00 0.00 -1.16 0.00 0.00 32.46 26.72 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 -3.69 0.00 0.00 5.56 3.00 -1.24 -4.74 117.38 116.27 3gut n GLN 606 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 3gut n GLN 606 Cb 0.52 -1.51 -0.03 0.00 0.00 0.00 0.00 30.24 29.22 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 -1.05 0.00 -3.85 1.08 3.72 -0.45 -2.82 117.46 114.09 3gut n PHE 607 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 3gut n PHE 607 Cb 0.00 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.98 -0.42 -0.13 4.37 0.00 -0.93 -0.24 121.76 121.43 3gut s ALA 608 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3gut s ALA 608 Cb 0.16 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.43 3gut s ALA 608 CO 0.82 -0.22 -0.03 0.42 0.00 0.00 0.00 175.76 176.74 3gut s ILE 609 N -1.42 0.79 -0.31 0.00 1.01 -0.25 -0.36 121.20 120.67 3gut s ILE 609 Ca -0.14 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 3gut s ILE 609 Cb -0.07 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3gut s ILE 609 CO 0.02 0.18 0.61 -0.69 0.00 0.00 0.00 174.94 175.06 3gut s VAL 610 N 1.78 4.95 0.26 2.92 1.01 -0.84 -2.95 120.40 127.52 3gut s VAL 610 Ca 0.03 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.80 3gut s VAL 610 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3gut s VAL 610 CO -0.07 -0.15 0.13 0.72 0.00 0.00 0.00 175.10 175.73 3gut s PHE 611 N 2.58 1.44 -0.09 5.22 -0.71 -0.15 -4.77 117.98 121.50 3gut s PHE 611 Ca 0.24 -1.32 0.01 0.00 -1.04 0.00 0.00 56.93 54.82 3gut s PHE 611 Cb -0.15 -0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 40.87 3gut s PHE 611 CO 0.12 -0.51 -0.11 0.15 -1.34 0.00 0.00 175.22 173.53 3gut s LYS 612 N -3.99 2.97 0.36 1.99 1.02 0.04 0.90 119.74 123.03 3gut s LYS 612 Ca 0.38 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.45 3gut s LYS 612 Cb 0.07 -2.57 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3gut s LYS 612 CO 0.15 0.46 1.37 0.99 -0.92 0.00 0.00 175.35 177.40 3gut s THR 613 N -0.28 2.46 0.58 2.17 2.01 0.70 -0.98 115.64 122.29 3gut s THR 613 Ca 0.03 0.45 -0.12 0.00 0.31 0.00 0.00 61.69 62.36 3gut s THR 613 Cb -0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 3gut s THR 613 CO 0.03 0.10 1.01 -2.16 -0.69 0.00 0.00 174.62 172.91 3gut s PRO 614 N -1.96 3.70 0.19 4.92 0.04 -1.22 0.15 135.00 140.81 3gut s PRO 614 Ca 0.51 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 3gut s PRO 614 Cb -0.42 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 3gut s PRO 614 CO 0.56 -0.47 1.25 0.15 0.04 0.00 0.00 177.00 178.53 3gut s LYS 615 N -4.84 4.45 0.75 4.56 3.01 -1.26 -4.33 119.74 122.06 3gut s LYS 615 Ca 0.56 1.95 -0.12 0.00 -1.01 0.00 0.00 55.97 57.35 3gut s LYS 615 Cb -0.11 -3.22 0.04 0.00 -1.01 0.00 0.00 37.83 33.54 3gut s LYS 615 CO 0.47 -0.16 1.10 -0.47 0.51 0.00 0.00 175.35 176.80 3gut s TYR 616 N 0.01 2.52 0.56 3.18 5.04 -0.57 -4.92 117.35 123.17 3gut s TYR 616 Ca 0.54 1.57 0.26 0.00 -2.44 0.00 0.00 57.07 57.00 3gut s TYR 616 Cb -0.34 -3.11 1.48 0.00 0.35 0.00 0.00 41.96 40.33 3gut s TYR 616 CO 0.37 -1.85 2.04 1.57 -1.34 0.00 0.00 175.55 176.35 3gut h LYS 617 N -0.80 0.00 -2.82 4.97 2.10 -1.94 -3.35 116.57 114.73 3gut h LYS 617 Ca -0.45 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.64 3gut h LYS 617 Cb 1.24 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.17 3gut h LYS 617 CO 0.52 0.00 -0.80 0.34 -2.00 0.00 0.00 179.45 177.50 3gut s ASP 618 N -6.07 3.36 0.00 7.07 2.15 -1.26 -4.99 116.67 116.93 3gut s ASP 618 Ca -0.05 -1.90 0.07 0.00 0.43 0.00 0.00 52.55 51.10 3gut s ASP 618 Cb 0.17 -0.52 0.41 0.00 -0.30 0.00 0.00 42.92 42.68 3gut s ASP 618 CO 0.64 -0.36 0.88 1.33 -0.17 0.00 0.00 175.17 177.50 3gut n VAL 619 N 4.45 0.04 -1.82 1.11 0.24 -1.26 -3.11 118.33 117.99 3gut n VAL 619 Ca 0.04 0.01 0.02 0.00 -2.04 0.00 0.00 64.34 62.38 3gut n VAL 619 Cb 0.39 -0.90 0.16 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.01 1.95 -4.47 -1.34 0.23 -1.26 -4.78 115.26 104.58 3gut n ASN 620 Ca 0.05 -3.55 -0.29 0.00 -0.53 0.00 0.00 54.58 50.26 3gut n ASN 620 Cb 0.03 -0.47 0.19 0.00 -2.08 0.00 0.00 39.78 37.45 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 -2.90 1.91 -0.03 1.53 -0.00 -1.18 -4.96 121.20 115.56 3gut s ILE 621 Ca 0.39 0.00 0.10 0.00 -0.00 0.00 0.00 60.65 61.13 3gut s ILE 621 Cb 0.38 -2.52 -0.15 0.00 -0.00 0.00 0.00 42.46 40.17 3gut s ILE 621 CO -0.07 0.00 0.18 0.35 -0.00 0.00 0.00 174.94 175.40 3gut n THR 622 N -4.31 0.14 -5.11 8.37 -2.24 -1.26 -4.83 114.28 105.04 3gut n THR 622 Ca 0.07 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 3gut n THR 622 Cb 0.58 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.60 2.33 0.64 -0.78 -0.14 -1.26 -4.79 119.74 113.13 3gut s LYS 623 Ca -0.04 -0.82 -0.18 0.00 -1.36 0.00 0.00 55.97 53.57 3gut s LYS 623 Cb 0.06 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 3gut s LYS 623 CO 0.41 0.57 1.07 -0.35 -0.76 0.00 0.00 175.35 176.30 3gut n PRO 624 N 2.43 0.90 -4.53 -1.68 -0.04 -1.26 -4.77 135.00 126.05 3gut n PRO 624 Ca -0.17 0.36 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 3gut n PRO 624 Cb 0.52 -2.29 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 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 -1.51 1.16 -0.17 0.55 0.00 0.10 -4.98 121.76 116.91 3gut s ALA 625 Ca 0.78 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 3gut s ALA 625 Cb -0.39 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 3gut s ALA 625 CO 0.45 0.26 0.12 -1.12 0.00 0.00 0.00 175.76 175.47 3gut s SER 626 N -0.63 6.17 0.00 0.00 0.01 -1.26 -0.41 113.70 117.59 3gut s SER 626 Ca 0.04 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.58 3gut s SER 626 Cb -0.06 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.11 3gut s SER 626 CO 0.00 0.24 0.00 1.33 0.41 0.00 0.00 173.24 175.23 3gut n VAL 627 N 3.08 0.00 -4.09 3.43 0.24 -0.69 -4.99 118.33 115.31 3gut n VAL 627 Ca -0.17 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 3gut n VAL 627 Cb 0.53 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.17 0.63 -0.05 6.34 0.08 0.15 -2.93 117.98 123.36 3gut s PHE 628 Ca 0.00 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.27 3gut s PHE 628 Cb 0.00 -0.39 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3gut s PHE 628 CO 0.00 -0.19 0.11 0.54 -0.10 0.00 0.00 175.22 175.58 3gut s VAL 629 N -2.61 -0.02 0.11 -0.44 0.11 -0.30 -0.41 120.40 116.83 3gut s VAL 629 Ca -0.01 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 3gut s VAL 629 Cb -0.02 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.71 3gut s VAL 629 CO -0.04 0.03 0.48 0.00 -3.33 0.00 0.00 175.10 172.25 3gut s GLN 630 N 0.49 1.10 0.95 1.54 -2.07 -0.79 -2.08 119.66 118.79 3gut s GLN 630 Ca -0.04 -0.49 -0.14 0.00 -1.82 0.00 0.00 55.36 52.87 3gut s GLN 630 Cb -0.05 0.49 0.21 0.00 -1.09 0.00 0.00 33.01 32.57 3gut s GLN 630 CO -0.02 -0.43 1.29 -0.51 -1.32 0.00 0.00 175.29 174.30 3gut s LEU 631 N -2.50 2.78 -0.30 2.60 1.43 -1.26 0.40 118.68 121.83 3gut s LEU 631 Ca -0.00 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 3gut s LEU 631 Cb 0.00 -2.10 0.18 0.00 0.03 0.00 0.00 46.19 44.30 3gut s LEU 631 CO -0.09 -2.72 1.15 -0.60 0.23 0.00 0.00 176.35 174.33 3gut s ARG 632 N -5.82 0.13 0.57 1.70 3.52 -0.10 -3.46 118.95 115.49 3gut s ARG 632 Ca 0.75 0.28 -0.20 0.00 -0.13 0.00 0.00 55.73 56.42 3gut s ARG 632 Cb -0.03 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3gut s ARG 632 CO 0.52 -0.09 1.28 1.03 -0.81 0.00 0.00 175.30 177.23 3gut s ARG 633 N 2.55 3.06 -0.15 5.12 0.52 -1.02 -2.57 118.95 126.46 3gut s ARG 633 Ca -0.02 2.02 -0.17 0.00 -0.52 0.00 0.00 55.73 57.04 3gut s ARG 633 Cb -0.06 -2.10 -0.14 0.00 0.52 0.00 0.00 34.95 33.17 3gut s ARG 633 CO -0.13 -1.19 0.27 0.87 0.02 0.00 0.00 175.30 175.13 3gut h LYS 634 N 1.20 0.00 -0.87 3.54 1.57 -1.92 -1.87 116.57 118.22 3gut h LYS 634 Ca -0.51 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.54 3gut h LYS 634 Cb 1.30 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.45 3gut h LYS 634 CO 0.56 0.58 0.12 -1.13 -0.57 0.00 0.00 179.45 179.02 3gut n SER 635 N -4.60 -0.01 0.00 0.86 3.41 -1.26 -2.63 113.62 109.39 3gut n SER 635 Ca -0.13 1.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.95 3gut n SER 635 Cb 0.38 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -5.20 0.48 -2.00 4.04 5.75 -1.26 -5.02 116.55 113.35 3gut n ASP 636 Ca 0.23 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.82 3gut n ASP 636 Cb 0.77 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.00 -1.74 -4.77 -2.12 4.77 -0.70 -4.98 117.00 107.46 3gut n LEU 637 Ca 0.00 0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 3gut n LEU 637 Cb 0.13 -2.80 -0.06 0.00 -2.33 0.00 0.00 43.42 38.36 3gut n LEU 637 CO 0.00 -0.52 0.47 -1.61 -1.33 0.00 0.00 177.39 174.40 3gut s GLU 638 N -4.51 4.53 0.30 3.23 0.41 -1.26 -4.82 118.70 116.59 3gut s GLU 638 Ca 0.00 1.11 0.11 0.00 -0.41 0.00 0.00 54.97 55.78 3gut s GLU 638 Cb 0.00 -3.29 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 3gut s GLU 638 CO 0.00 0.48 -0.13 0.95 -0.49 0.00 0.00 175.26 176.08 3gut s THR 639 N -0.80 2.56 0.96 3.63 -4.23 -1.26 -2.43 115.64 114.07 3gut s THR 639 Ca 0.36 -2.25 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 3gut s THR 639 Cb -0.22 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.30 3gut s THR 639 CO 0.25 -0.33 1.31 -0.94 -0.54 0.00 0.00 174.62 174.37 3gut s SER 640 N -3.58 3.17 0.09 3.99 1.04 -1.22 -4.78 113.70 112.42 3gut s SER 640 Ca 0.31 0.31 -0.30 0.00 0.48 0.00 0.00 55.95 56.75 3gut s SER 640 Cb -0.03 -0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.65 3gut s SER 640 CO 0.16 -2.70 1.03 -1.83 0.98 0.00 0.00 173.24 170.88 3gut s GLU 641 N -5.86 4.61 -0.40 4.02 1.03 -1.26 -4.74 118.70 116.09 3gut s GLU 641 Ca 0.73 1.54 -0.43 0.00 0.03 0.00 0.00 54.97 56.84 3gut s GLU 641 Cb -0.04 -3.37 -0.18 0.00 -0.80 0.00 0.00 34.13 29.74 3gut s GLU 641 CO 0.53 0.06 1.73 -2.30 -1.33 0.00 0.00 175.26 173.95 3gut n PRO 642 N 3.13 0.55 -4.86 -4.83 -0.02 -1.26 -4.80 135.00 122.90 3gut n PRO 642 Ca 0.04 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 3gut n PRO 642 Cb 0.49 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.62 3.25 0.37 -0.52 2.20 -0.88 -4.93 119.74 122.85 3gut s LYS 643 Ca 1.04 -0.72 -0.28 0.00 -0.36 0.00 0.00 55.97 55.65 3gut s LYS 643 Cb -1.29 -2.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.38 3gut s LYS 643 CO 0.72 0.24 1.38 -2.14 -0.36 0.00 0.00 175.35 175.20 3gut s PRO 644 N 0.25 4.16 0.04 4.03 0.02 -1.26 -1.15 135.00 141.10 3gut s PRO 644 Ca -0.10 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.28 3gut s PRO 644 Cb -0.16 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 3gut s PRO 644 CO 0.06 -0.41 -0.05 0.12 -0.33 0.00 0.00 177.00 176.39 3gut s PHE 645 N -1.15 0.49 -0.12 6.54 2.19 -1.15 -4.87 117.98 119.90 3gut s PHE 645 Ca 0.52 -0.68 0.00 0.00 0.33 0.00 0.00 56.93 57.11 3gut s PHE 645 Cb -0.42 -0.32 0.02 0.00 -1.31 0.00 0.00 43.02 40.99 3gut s PHE 645 CO 0.57 -0.20 -0.11 -1.17 1.83 0.00 0.00 175.22 176.14 3gut s LEU 646 N -1.97 1.44 -0.34 6.12 1.98 -0.73 -1.71 118.68 123.47 3gut s LEU 646 Ca -0.07 -0.37 -0.16 0.00 -2.89 0.00 0.00 54.13 50.65 3gut s LEU 646 Cb -0.05 -0.97 -0.01 0.00 0.66 0.00 0.00 46.19 45.83 3gut s LEU 646 CO -0.03 -0.07 0.39 -0.31 -1.89 0.00 0.00 176.35 174.44 3gut s TYR 647 N 1.45 3.21 0.25 5.38 2.02 0.45 0.16 117.35 130.26 3gut s TYR 647 Ca 0.01 0.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.85 3gut s TYR 647 Cb -0.13 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3gut s TYR 647 CO -0.07 -0.43 0.09 1.52 -1.57 0.00 0.00 175.55 175.09 3gut s TYR 648 N 2.09 2.90 0.98 2.71 -0.85 -0.38 0.02 117.35 124.83 3gut s TYR 648 Ca 0.13 -0.16 -0.13 0.00 -0.52 0.00 0.00 57.07 56.39 3gut s TYR 648 Cb -0.16 -1.31 0.18 0.00 0.38 0.00 0.00 41.96 41.05 3gut s TYR 648 CO 0.12 0.57 1.13 -1.25 -1.52 0.00 0.00 175.55 174.60 3gut s PRO 649 N -3.68 0.58 0.00 -3.49 0.04 -1.26 -1.75 135.00 125.43 3gut s PRO 649 Ca 0.32 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.61 3gut s PRO 649 Cb -0.07 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3gut s PRO 649 CO 0.22 -2.57 0.00 -1.91 0.04 0.00 0.00 177.00 172.78