#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fzr s ILE 420 N 0.00 5.13 0.13 -0.61 2.07 -1.26 -5.10 121.20 121.55 3fzr s ILE 420 Ca 0.00 0.50 0.10 0.00 -1.41 0.00 0.00 60.65 59.84 3fzr s ILE 420 Cb 0.00 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.91 3fzr s ILE 420 CO 0.00 0.40 -0.23 0.00 -1.91 0.00 0.00 174.94 173.20 3fzr s ALA 421 N -1.27 2.52 0.51 1.50 0.00 -1.26 -4.68 121.76 119.08 3fzr s ALA 421 Ca 0.29 -1.42 0.41 0.00 0.00 0.00 0.00 51.96 51.23 3fzr s ALA 421 Cb -0.14 -0.50 1.59 0.00 0.00 0.00 0.00 23.12 24.07 3fzr s ALA 421 CO 0.16 0.56 1.64 -0.09 0.00 0.00 0.00 175.76 178.03 3fzr h ARG 422 N 3.80 0.03 -0.19 0.00 2.43 -1.99 0.64 114.38 119.10 3fzr h ARG 422 Ca -0.50 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 3fzr h ARG 422 Cb 1.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3fzr h ARG 422 CO 0.42 0.02 -0.24 0.93 -1.51 0.00 0.00 179.97 179.59 3fzr h GLU 423 N 0.04 0.35 0.00 0.20 5.08 -2.03 -2.57 114.58 115.65 3fzr h GLU 423 Ca 0.82 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 3fzr h GLU 423 Cb 3.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.28 3fzr h GLU 423 CO -0.15 0.58 0.00 -0.25 -1.00 0.00 0.00 179.01 178.19 3fzr n ASP 424 N -4.15 0.00 -4.38 1.42 8.00 0.22 -4.69 116.55 112.97 3fzr n ASP 424 Ca -0.01 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3fzr n ASP 424 Cb 0.38 -0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 3fzr n ASP 424 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fzr s VAL 425 N -2.72 2.74 -0.26 2.53 1.01 -0.97 -1.86 120.40 120.87 3fzr s VAL 425 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3fzr s VAL 425 Cb 0.10 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.48 3fzr s VAL 425 CO 0.26 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.26 3fzr s VAL 426 N -0.23 1.18 0.56 2.92 1.01 -0.65 -4.96 120.40 120.22 3fzr s VAL 426 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 3fzr s VAL 426 Cb -0.13 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3fzr s VAL 426 CO 0.03 -0.37 1.09 -0.76 0.00 0.00 0.00 175.10 175.10 3fzr s LEU 427 N 1.52 3.67 0.00 3.92 1.43 -1.26 -1.82 118.68 126.13 3fzr s LEU 427 Ca 0.02 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3fzr s LEU 427 Cb -0.18 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.48 3fzr s LEU 427 CO -0.13 -1.18 0.00 0.59 0.23 0.00 0.00 176.35 175.86 3fzr n ASN 428 N -1.53 2.06 -3.09 2.29 3.02 -0.38 -4.93 115.26 112.70 3fzr n ASN 428 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.58 3fzr n ASN 428 Cb 0.52 0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.86 3fzr n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fzr s ARG 429 N -1.44 2.02 -0.30 3.52 1.04 -1.08 -5.02 118.95 117.70 3fzr s ARG 429 Ca 0.00 -1.29 -0.13 0.00 -1.04 0.00 0.00 55.73 53.28 3fzr s ARG 429 Cb 0.00 0.58 -0.04 0.00 -2.04 0.00 0.00 34.95 33.45 3fzr s ARG 429 CO 0.00 -0.95 0.27 0.42 -0.04 0.00 0.00 175.30 175.00 3fzr s ILE 430 N -2.43 5.25 0.11 4.99 1.01 -1.26 -1.98 121.20 126.90 3fzr s ILE 430 Ca 0.16 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 3fzr s ILE 430 Cb -0.05 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 3fzr s ILE 430 CO 0.10 0.13 1.40 -0.07 0.00 0.00 0.00 174.94 176.49 3fzr h LEU 431 N 8.50 0.88 0.00 2.97 3.38 -0.73 -3.46 115.31 126.85 3fzr h LEU 431 Ca -0.33 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3fzr h LEU 431 Cb 1.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3fzr h LEU 431 CO 0.61 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.98 3fzr n GLY 432 N 0.33 -0.72 3.15 0.83 0.00 -1.17 -4.99 105.19 102.62 3fzr n GLY 432 Ca -0.04 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3fzr n GLY 432 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzr s GLU 433 N -1.44 2.39 0.69 1.61 0.41 -1.26 -1.40 118.70 119.70 3fzr s GLU 433 Ca 0.00 -1.29 -0.12 0.00 -0.41 0.00 0.00 54.97 53.16 3fzr s GLU 433 Cb 0.00 -3.13 0.17 0.00 -1.78 0.00 0.00 34.13 29.39 3fzr s GLU 433 CO 0.00 -0.61 0.71 0.41 -0.49 0.00 0.00 175.26 175.28 3fzr n GLY 434 N 4.59 -2.19 0.21 -1.39 0.00 -1.17 -4.87 105.19 100.36 3fzr n GLY 434 Ca -0.13 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.37 3fzr n GLY 434 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fzr h PHE 435 N -1.97 0.03 -0.00 1.61 3.57 -1.99 -3.02 116.94 115.17 3fzr h PHE 435 Ca -0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3fzr h PHE 435 Cb 0.74 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.47 3fzr h PHE 435 CO 0.00 0.27 -0.80 1.19 -2.23 0.00 0.00 178.31 176.74 3fzr n PHE 436 N -4.24 0.00 0.00 0.41 0.99 -1.26 -4.97 117.46 108.39 3fzr n PHE 436 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3fzr n PHE 436 Cb 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.75 3fzr n PHE 436 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fzr n GLY 437 N 1.48 3.75 2.53 1.37 0.00 -1.14 0.48 105.19 113.66 3fzr n GLY 437 Ca 0.06 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3fzr n GLY 437 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fzr n GLU 438 N -1.62 0.00 -5.11 1.61 -0.58 -1.26 -3.05 120.64 110.63 3fzr n GLU 438 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 3fzr n GLU 438 Cb 0.00 -0.76 -0.15 0.00 -0.57 0.00 0.00 31.44 29.96 3fzr n GLU 438 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fzr s VAL 439 N -1.00 2.48 -0.00 2.62 1.01 -0.50 -2.74 120.40 122.27 3fzr s VAL 439 Ca 0.47 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3fzr s VAL 439 Cb -0.60 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3fzr s VAL 439 CO 0.45 0.58 -0.23 -0.31 0.00 0.00 0.00 175.10 175.58 3fzr s TYR 440 N -0.44 2.06 0.12 5.22 1.51 -0.50 0.01 117.35 125.32 3fzr s TYR 440 Ca 0.05 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.48 3fzr s TYR 440 Cb -0.12 -1.31 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 3fzr s TYR 440 CO 0.01 -0.00 0.75 -2.00 -1.11 0.00 0.00 175.55 173.20 3fzr s GLU 441 N -0.70 4.50 0.00 -0.62 -6.30 -0.84 -0.24 118.70 114.51 3fzr s GLU 441 Ca 0.09 1.07 0.00 0.00 -2.50 0.00 0.00 54.97 53.63 3fzr s GLU 441 Cb -0.09 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.75 3fzr s GLU 441 CO -0.00 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.18 3fzr n GLY 442 N 1.86 3.06 2.96 -1.50 0.00 -0.90 -1.25 105.19 109.42 3fzr n GLY 442 Ca -0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 3fzr n GLY 442 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fzr s VAL 443 N -2.76 0.14 -0.15 1.61 1.01 -0.76 -2.00 120.40 117.49 3fzr s VAL 443 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3fzr s VAL 443 Cb 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.19 3fzr s VAL 443 CO 0.00 -0.32 -0.04 -0.47 0.00 0.00 0.00 175.10 174.27 3fzr s TYR 444 N -0.98 1.46 -0.06 5.22 5.04 -0.60 -1.63 117.35 125.80 3fzr s TYR 444 Ca -0.10 -0.89 -0.25 0.00 -2.44 0.00 0.00 57.07 53.38 3fzr s TYR 444 Cb -0.07 -1.20 -0.03 0.00 0.35 0.00 0.00 41.96 41.00 3fzr s TYR 444 CO -0.01 -0.56 0.79 0.99 -1.34 0.00 0.00 175.55 175.42 3fzr s THR 445 N 1.71 4.98 0.00 4.34 2.01 -0.78 -2.48 115.64 125.43 3fzr s THR 445 Ca 0.02 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.65 3fzr s THR 445 Cb -0.15 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.24 3fzr s THR 445 CO -0.07 0.21 0.00 0.59 -0.69 0.00 0.00 174.62 174.65 3fzr n ASN 446 N 3.93 0.00 -0.04 3.53 3.02 0.18 -4.86 115.26 121.03 3fzr n ASN 446 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3fzr n ASN 446 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3fzr n ASN 446 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3fzr n HIS 447 N 0.00 0.00 0.03 3.10 -0.00 -1.26 -4.56 115.22 112.53 3fzr n HIS 447 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 3fzr n HIS 447 Cb 0.00 0.08 -0.01 0.00 -0.12 0.00 0.00 29.99 29.94 3fzr n HIS 447 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3fzr n LYS 448 N 0.00 3.36 0.00 1.57 5.02 -1.26 -5.00 118.16 121.84 3fzr n LYS 448 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3fzr n LYS 448 Cb 0.51 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 3fzr n LYS 448 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fzr n GLY 449 N 1.72 1.02 3.82 0.72 0.00 -1.26 -5.11 105.19 106.10 3fzr n GLY 449 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3fzr n GLY 449 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzr s GLU 450 N -0.57 4.13 0.04 1.61 2.02 -1.26 -4.64 118.70 120.02 3fzr s GLU 450 Ca 0.00 0.65 -0.20 0.00 0.02 0.00 0.00 54.97 55.44 3fzr s GLU 450 Cb 0.00 -3.19 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 3fzr s GLU 450 CO 0.00 0.63 0.60 0.15 0.02 0.00 0.00 175.26 176.66 3fzr s LYS 451 N -1.22 4.29 -0.08 1.61 1.02 -1.26 0.51 119.74 124.61 3fzr s LYS 451 Ca 0.29 0.77 -0.03 0.00 0.02 0.00 0.00 55.97 57.03 3fzr s LYS 451 Cb -0.18 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3fzr s LYS 451 CO 0.18 0.48 0.08 0.42 -0.92 0.00 0.00 175.35 175.59 3fzr s ILE 452 N -0.59 -0.13 0.54 2.17 1.01 -1.03 -4.96 121.20 118.21 3fzr s ILE 452 Ca 0.31 0.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.00 3fzr s ILE 452 Cb -0.19 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 3fzr s ILE 452 CO 0.19 0.05 1.31 0.20 0.00 0.00 0.00 174.94 176.69 3fzr s ASN 453 N 2.18 5.39 0.15 3.58 0.01 -1.26 -1.55 114.94 123.43 3fzr s ASN 453 Ca 0.04 2.65 -0.13 0.00 -0.71 0.00 0.00 52.86 54.70 3fzr s ASN 453 Cb -0.13 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 38.92 3fzr s ASN 453 CO -0.05 -1.48 0.37 0.54 -1.51 0.00 0.00 177.10 174.97 3fzr s VAL 454 N -1.37 0.07 -0.03 1.60 0.11 -0.85 -3.16 120.40 116.76 3fzr s VAL 454 Ca 0.71 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 3fzr s VAL 454 Cb -0.37 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 3fzr s VAL 454 CO 0.44 -0.30 -0.11 0.00 -3.33 0.00 0.00 175.10 171.80 3fzr s ALA 455 N -3.88 1.05 -0.22 1.54 0.00 0.64 -2.12 121.76 118.77 3fzr s ALA 455 Ca 0.09 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3fzr s ALA 455 Cb 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.80 3fzr s ALA 455 CO -0.05 0.17 -0.12 0.08 0.00 0.00 0.00 175.76 175.84 3fzr s VAL 456 N 0.18 1.90 0.01 0.00 1.01 0.67 -0.83 120.40 123.34 3fzr s VAL 456 Ca -0.04 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 3fzr s VAL 456 Cb -0.10 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3fzr s VAL 456 CO 0.01 0.17 0.66 -0.75 0.00 0.00 0.00 175.10 175.19 3fzr s LYS 457 N 1.28 4.39 0.21 2.72 2.20 0.96 -1.41 119.74 130.07 3fzr s LYS 457 Ca -0.03 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.46 3fzr s LYS 457 Cb -0.17 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3fzr s LYS 457 CO -0.08 0.33 0.01 0.99 -0.36 0.00 0.00 175.35 176.24 3fzr s THR 458 N -0.11 0.81 -0.52 3.43 2.01 -1.11 -1.14 115.64 119.01 3fzr s THR 458 Ca 0.34 -2.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.30 3fzr s THR 458 Cb -0.19 -2.28 0.14 0.00 0.01 0.00 0.00 72.50 70.18 3fzr s THR 458 CO 0.19 -0.35 0.33 0.00 -0.69 0.00 0.00 174.62 174.10 3fzr n LYS 460 N 4.05 0.00 -1.62 0.00 4.81 1.76 -3.77 118.16 123.39 3fzr n LYS 460 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3fzr n LYS 460 Cb 0.40 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.52 3fzr n LYS 460 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3fzr n LYS 461 N 0.00 1.24 -0.05 1.64 0.00 -1.26 -4.99 118.16 114.74 3fzr n LYS 461 Ca 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 58.31 55.36 3fzr n LYS 461 Cb 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 35.03 33.98 3fzr n LYS 461 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3fzr n ASP 462 N -0.30 0.03 -4.56 3.14 3.85 -1.25 -4.83 116.55 112.63 3fzr n ASP 462 Ca 0.15 0.03 -0.39 0.00 -0.71 0.00 0.00 54.79 53.87 3fzr n ASP 462 Cb 0.94 -0.02 0.04 0.00 -1.35 0.00 0.00 41.12 40.72 3fzr n ASP 462 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fzr n THR 464 N -1.37 0.00 -0.00 0.00 5.66 -1.26 -3.20 114.28 114.11 3fzr n THR 464 Ca 0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 3fzr n THR 464 Cb 0.45 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 3fzr n THR 464 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3fzr h LEU 465 N 0.00 0.02 -1.00 1.09 4.07 -2.01 -3.31 115.31 114.18 3fzr h LEU 465 Ca 0.00 0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.11 3fzr h LEU 465 Cb 0.00 0.02 -0.15 0.00 1.08 0.00 0.00 40.66 41.61 3fzr h LEU 465 CO 0.00 0.03 -0.45 0.47 -1.08 0.00 0.00 178.44 177.41 3fzr n ASP 466 N -5.08 -0.77 -0.03 -0.43 8.00 -1.26 -0.62 116.55 116.36 3fzr n ASP 466 Ca -0.05 1.75 -0.16 0.00 0.71 0.00 0.00 54.79 57.04 3fzr n ASP 466 Cb 0.06 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 3fzr n ASP 466 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3fzr h ASN 467 N 0.00 0.78 -0.34 -2.24 -0.26 -1.64 -2.45 115.58 109.44 3fzr h ASN 467 Ca 0.29 -0.62 -0.02 0.00 -0.56 0.00 0.00 56.30 55.39 3fzr h ASN 467 Cb 0.54 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3fzr h ASN 467 CO -0.97 1.28 0.14 0.50 -1.06 0.00 0.00 177.43 177.32 3fzr h LYS 468 N 0.34 0.51 -0.22 0.81 3.64 -1.57 -0.71 116.57 119.38 3fzr h LYS 468 Ca -0.04 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3fzr h LYS 468 Cb 1.25 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 3fzr h LYS 468 CO 0.13 0.50 -0.10 1.49 -2.27 0.00 0.00 179.45 179.19 3fzr h GLU 469 N 0.41 -0.07 -0.97 1.90 4.22 -0.90 0.46 114.58 119.63 3fzr h GLU 469 Ca 0.11 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.67 3fzr h GLU 469 Cb 0.17 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 3fzr h GLU 469 CO -0.01 -0.05 0.60 0.87 -2.18 0.00 0.00 179.01 178.24 3fzr h LYS 470 N -0.07 0.92 -0.02 1.92 1.79 -1.28 0.34 116.57 120.17 3fzr h LYS 470 Ca 0.12 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3fzr h LYS 470 Cb 0.25 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3fzr h LYS 470 CO -0.26 0.61 0.01 0.35 -1.08 0.00 0.00 179.45 179.08 3fzr h PHE 471 N 0.95 0.04 -0.51 -1.35 3.57 0.57 -2.26 116.94 117.94 3fzr h PHE 471 Ca 0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 3fzr h PHE 471 Cb 0.47 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3fzr h PHE 471 CO -0.02 0.19 0.29 0.52 -2.23 0.00 0.00 178.31 177.06 3fzr h MET 472 N -0.13 0.71 -0.70 1.11 2.86 0.66 -1.69 114.93 117.75 3fzr h MET 472 Ca 0.01 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 3fzr h MET 472 Cb 0.17 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.61 3fzr h MET 472 CO -0.00 0.54 0.31 1.03 1.06 0.00 0.00 176.91 179.85 3fzr h SER 473 N 0.69 0.34 -0.36 1.22 0.87 -0.28 0.14 113.55 116.17 3fzr h SER 473 Ca 0.18 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3fzr h SER 473 Cb 0.03 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3fzr h SER 473 CO -0.03 0.18 0.11 -0.08 -0.53 0.00 0.00 176.83 176.48 3fzr h GLU 474 N 0.50 0.57 0.17 2.24 4.81 -0.83 -2.68 114.58 119.36 3fzr h GLU 474 Ca 0.36 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3fzr h GLU 474 Cb 0.46 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 3fzr h GLU 474 CO -0.33 0.59 -0.41 0.00 -0.73 0.00 0.00 179.01 178.13 3fzr h ALA 475 N 0.95 -0.76 -0.63 2.92 0.00 -0.48 -0.99 119.26 120.27 3fzr h ALA 475 Ca 0.12 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3fzr h ALA 475 Cb 0.26 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3fzr h ALA 475 CO -0.00 -0.99 0.21 0.28 0.00 0.00 0.00 179.25 178.75 3fzr h VAL 476 N -0.68 0.71 0.18 0.00 2.07 -0.93 0.33 116.25 117.94 3fzr h VAL 476 Ca 0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3fzr h VAL 476 Cb 0.68 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3fzr h VAL 476 CO -0.21 0.07 -0.09 0.40 0.02 0.00 0.00 177.57 177.76 3fzr h ILE 477 N 0.37 0.84 -0.82 4.57 2.04 -1.25 -2.61 117.51 120.65 3fzr h ILE 477 Ca 0.33 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.23 3fzr h ILE 477 Cb 0.45 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3fzr h ILE 477 CO -0.35 0.02 0.54 0.24 0.00 0.00 0.00 178.15 178.59 3fzr h MET 478 N -0.28 0.65 -0.52 2.37 2.86 -0.43 -0.64 114.93 118.95 3fzr h MET 478 Ca -0.02 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3fzr h MET 478 Cb 0.22 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3fzr h MET 478 CO 0.04 0.43 0.36 -0.22 1.06 0.00 0.00 176.91 178.58 3fzr h LYS 479 N 0.67 0.16 0.11 1.72 3.64 -0.55 -3.16 116.57 119.15 3fzr h LYS 479 Ca 0.39 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.43 3fzr h LYS 479 Cb 0.59 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3fzr h LYS 479 CO -0.16 0.10 -1.83 -0.91 -2.27 0.00 0.00 179.45 174.39 3fzr h ASN 480 N 0.16 0.35 -4.09 4.20 2.35 -1.10 -3.48 115.58 113.96 3fzr h ASN 480 Ca 0.24 -0.87 -0.53 0.00 -0.55 0.00 0.00 56.30 54.59 3fzr h ASN 480 Cb 0.75 -0.11 0.19 0.00 0.05 0.00 0.00 38.32 39.20 3fzr h ASN 480 CO -0.04 1.78 0.20 0.18 -1.65 0.00 0.00 177.43 177.90 3fzr n LEU 481 N -3.69 3.63 -3.23 1.61 4.77 -0.91 -5.05 117.00 114.14 3fzr n LEU 481 Ca -0.31 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.24 3fzr n LEU 481 Cb 0.98 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 3fzr n LEU 481 CO 0.39 -2.02 0.39 -0.62 -1.33 0.00 0.00 177.39 174.19 3fzr s ASP 482 N -2.18 -0.92 -0.28 -1.43 2.15 -1.26 -4.95 116.67 107.80 3fzr s ASP 482 Ca 0.70 0.72 -0.20 0.00 0.43 0.00 0.00 52.55 54.20 3fzr s ASP 482 Cb -0.28 1.83 0.13 0.00 -0.30 0.00 0.00 42.92 44.30 3fzr s ASP 482 CO 0.54 -0.17 0.97 -2.28 -0.17 0.00 0.00 175.17 174.06 3fzr s HIS 483 N 2.83 -0.57 0.65 -5.34 2.46 -1.26 -5.02 115.29 109.04 3fzr s HIS 483 Ca 0.07 1.25 0.29 0.00 0.47 0.00 0.00 55.06 57.13 3fzr s HIS 483 Cb -0.12 0.38 1.55 0.00 -0.13 0.00 0.00 32.58 34.26 3fzr s HIS 483 CO -0.17 -0.28 1.87 -1.35 -2.47 0.00 0.00 174.74 172.34 3fzr h PRO 484 N 5.29 0.00 -0.02 2.88 0.10 -2.00 -1.33 132.00 136.93 3fzr h PRO 484 Ca -0.28 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.81 3fzr h PRO 484 Cb 1.19 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.28 3fzr h PRO 484 CO 0.15 0.00 -0.31 0.72 0.10 0.00 0.00 178.00 178.66 3fzr n HIS 485 N -2.85 0.06 -4.78 0.65 8.25 -1.26 -4.80 115.22 110.48 3fzr n HIS 485 Ca -0.02 -1.33 -0.27 0.00 -0.26 0.00 0.00 57.72 55.84 3fzr n HIS 485 Cb 0.40 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 3fzr n HIS 485 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fzr s ILE 486 N -3.11 1.82 0.24 1.59 1.01 -0.50 0.19 121.20 122.44 3fzr s ILE 486 Ca 0.36 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.48 3fzr s ILE 486 Cb 0.34 -1.57 -0.14 0.00 0.01 0.00 0.00 42.46 41.10 3fzr s ILE 486 CO -0.03 0.29 1.27 1.33 0.00 0.00 0.00 174.94 177.80 3fzr n VAL 487 N 1.91 1.19 -2.54 2.92 0.24 -0.42 -4.68 118.33 116.95 3fzr n VAL 487 Ca -0.17 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.34 61.40 3fzr n VAL 487 Cb 0.53 -1.24 -0.02 0.00 -1.47 0.00 0.00 33.84 31.63 3fzr n VAL 487 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3fzr s LYS 488 N -0.72 3.67 -0.12 7.34 2.20 -1.26 -4.95 119.74 125.91 3fzr s LYS 488 Ca 0.67 0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 56.64 3fzr s LYS 488 Cb -0.70 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 31.66 3fzr s LYS 488 CO 0.53 -1.45 0.93 -1.17 -0.36 0.00 0.00 175.35 173.84 3fzr s LEU 489 N 4.74 4.24 -0.14 5.43 0.20 -1.26 -1.59 118.68 130.28 3fzr s LEU 489 Ca 0.51 1.41 -0.02 0.00 0.69 0.00 0.00 54.13 56.72 3fzr s LEU 489 Cb -0.09 -3.43 -0.24 0.00 -0.43 0.00 0.00 46.19 42.00 3fzr s LEU 489 CO 0.32 -0.40 0.26 -0.38 -0.29 0.00 0.00 176.35 175.86 3fzr n ILE 490 N 4.52 1.70 0.00 6.68 5.41 0.72 -4.95 119.36 133.44 3fzr n ILE 490 Ca 0.07 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.16 3fzr n ILE 490 Cb 0.49 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3fzr n ILE 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fzr n GLY 491 N 2.00 0.42 3.06 7.39 0.00 -0.97 -5.03 105.19 112.07 3fzr n GLY 491 Ca -0.34 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 3fzr n GLY 491 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fzr s ILE 492 N -2.00 0.97 -0.91 -0.61 1.01 -1.26 -0.93 121.20 117.47 3fzr s ILE 492 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3fzr s ILE 492 Cb 0.00 -0.83 0.23 0.00 0.01 0.00 0.00 42.46 41.87 3fzr s ILE 492 CO 0.00 0.28 0.84 -0.63 0.00 0.00 0.00 174.94 175.43 3fzr s ILE 493 N -0.07 5.12 -0.25 2.92 1.01 -0.17 -4.67 121.20 125.09 3fzr s ILE 493 Ca 0.01 -3.24 -0.29 0.00 0.00 0.00 0.00 60.65 57.12 3fzr s ILE 493 Cb -0.07 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3fzr s ILE 493 CO 0.00 -1.07 1.37 -0.70 0.00 0.00 0.00 174.94 174.54 3fzr s GLU 494 N -0.76 3.95 0.00 2.79 -6.30 -1.26 -2.09 118.70 115.03 3fzr s GLU 494 Ca 0.25 1.43 0.00 0.00 -2.50 0.00 0.00 54.97 54.15 3fzr s GLU 494 Cb -0.11 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.13 3fzr s GLU 494 CO -0.09 -1.08 0.00 0.39 0.02 0.00 0.00 175.26 174.51 3fzr n GLU 495 N 7.26 0.00 0.00 4.30 4.71 -1.26 -5.00 120.64 130.65 3fzr n GLU 495 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3fzr n GLU 495 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.89 3fzr n GLU 495 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3fzr n GLU 496 N 0.00 0.00 -2.87 3.49 4.07 -1.26 -4.23 120.64 119.84 3fzr n GLU 496 Ca 0.00 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.75 3fzr n GLU 496 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 3fzr n GLU 496 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3fzr s PRO 497 N 0.00 4.36 0.46 5.31 0.02 -1.26 -5.10 135.00 138.79 3fzr s PRO 497 Ca 0.00 1.13 -0.24 0.00 0.02 0.00 0.00 61.00 61.91 3fzr s PRO 497 Cb 0.00 -2.56 -0.08 0.00 0.02 0.00 0.00 34.50 31.88 3fzr s PRO 497 CO 0.00 0.17 1.28 2.41 -0.33 0.00 0.00 177.00 180.54 3fzr n THR 498 N 0.07 2.89 -4.36 0.99 -1.04 -1.26 -5.00 114.28 106.57 3fzr n THR 498 Ca 0.03 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.36 3fzr n THR 498 Cb 0.52 -1.59 -0.14 0.00 -1.82 0.00 0.00 70.33 67.29 3fzr n THR 498 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3fzr s TRP 499 N -1.24 0.84 -0.18 -1.42 0.52 -0.89 -4.54 118.94 112.03 3fzr s TRP 499 Ca 0.64 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.56 3fzr s TRP 499 Cb -0.48 -0.54 0.00 0.00 -1.15 0.00 0.00 33.47 31.31 3fzr s TRP 499 CO 0.56 -0.01 -0.12 0.42 0.02 0.00 0.00 176.95 177.81 3fzr s ILE 500 N -0.32 2.80 -0.34 2.03 1.01 -0.29 -1.00 121.20 125.09 3fzr s ILE 500 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3fzr s ILE 500 Cb -0.04 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3fzr s ILE 500 CO -0.00 0.49 0.19 -0.63 0.00 0.00 0.00 174.94 174.99 3fzr s ILE 501 N 1.14 4.77 0.29 2.92 1.09 -0.10 -0.03 121.20 131.27 3fzr s ILE 501 Ca 0.01 -0.52 0.09 0.00 -1.10 0.00 0.00 60.65 59.13 3fzr s ILE 501 Cb -0.14 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 3fzr s ILE 501 CO -0.04 -0.05 0.06 -0.04 -0.10 0.00 0.00 174.94 174.76 3fzr s MET 502 N 1.62 2.38 0.47 2.79 -1.94 -0.01 -0.20 119.30 124.41 3fzr s MET 502 Ca 0.04 -1.42 -0.22 0.00 -1.71 0.00 0.00 55.69 52.38 3fzr s MET 502 Cb -0.18 -2.20 -0.08 0.00 2.01 0.00 0.00 34.83 34.39 3fzr s MET 502 CO 0.07 0.29 1.11 -2.00 -0.01 0.00 0.00 175.02 174.49 3fzr s GLU 503 N -3.74 3.75 0.14 2.03 2.12 -0.62 -0.26 118.70 122.11 3fzr s GLU 503 Ca 0.33 1.62 -0.11 0.00 0.36 0.00 0.00 54.97 57.18 3fzr s GLU 503 Cb -0.05 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.98 3fzr s GLU 503 CO 0.21 -0.52 0.47 -1.17 -0.54 0.00 0.00 175.26 173.72 3fzr s LEU 504 N -3.20 4.30 -0.40 2.70 2.96 -1.19 -4.44 118.68 119.42 3fzr s LEU 504 Ca 0.65 0.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 3fzr s LEU 504 Cb -0.24 -3.24 0.12 0.00 0.50 0.00 0.00 46.19 43.33 3fzr s LEU 504 CO 0.29 0.09 0.19 -0.31 -1.32 0.00 0.00 176.35 175.29 3fzr s TYR 505 N -1.53 2.08 0.42 5.38 1.51 -1.26 -4.89 117.35 119.07 3fzr s TYR 505 Ca 0.38 -2.31 0.24 0.00 -1.01 0.00 0.00 57.07 54.37 3fzr s TYR 505 Cb -0.14 -1.95 1.24 0.00 -0.11 0.00 0.00 41.96 41.00 3fzr s TYR 505 CO 0.20 -0.82 1.72 -1.35 -1.11 0.00 0.00 175.55 174.19 3fzr h PRO 506 N 7.16 0.25 0.00 -1.71 0.11 -1.90 -1.17 132.00 134.75 3fzr h PRO 506 Ca -0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3fzr h PRO 506 Cb 0.96 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3fzr h PRO 506 CO 0.49 0.17 -0.02 1.88 -0.21 0.00 0.00 178.00 180.31 3fzr h TYR 507 N 0.26 0.00 -0.19 0.65 -1.99 -1.89 -3.49 116.97 110.33 3fzr h TYR 507 Ca 0.67 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.40 3fzr h TYR 507 Cb 1.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.65 3fzr h TYR 507 CO -0.00 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.58 3fzr n GLY 508 N -0.73 -1.30 3.76 3.88 0.00 -0.44 -4.81 105.19 105.55 3fzr n GLY 508 Ca -0.02 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 3fzr n GLY 508 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzr s GLU 509 N 0.00 3.44 0.22 1.61 2.02 -1.26 -1.59 118.70 123.14 3fzr s GLU 509 Ca 0.00 2.11 -0.02 0.00 0.02 0.00 0.00 54.97 57.08 3fzr s GLU 509 Cb 0.00 -2.38 0.22 0.00 0.10 0.00 0.00 34.13 32.07 3fzr s GLU 509 CO 0.00 -0.91 1.60 1.25 0.02 0.00 0.00 175.26 177.22 3fzr h LEU 510 N 1.81 0.64 -0.56 1.80 5.85 -1.03 -2.18 115.31 121.63 3fzr h LEU 510 Ca -0.50 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.04 3fzr h LEU 510 Cb 1.28 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 3fzr h LEU 510 CO 0.59 0.94 0.19 1.23 -0.34 0.00 0.00 178.44 181.05 3fzr h GLY 511 N 1.02 0.76 1.61 3.75 0.00 -1.76 0.29 103.07 108.74 3fzr h GLY 511 Ca 0.05 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 3fzr h GLY 511 CO 0.07 -0.02 -0.93 0.45 0.00 0.00 0.00 176.54 176.11 3fzr h HIS 512 N 0.36 0.52 0.00 5.60 3.86 -1.86 -2.34 115.15 121.30 3fzr h HIS 512 Ca 0.28 -0.28 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3fzr h HIS 512 Cb 0.34 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3fzr h HIS 512 CO -0.18 1.10 -0.30 -0.92 0.86 0.00 0.00 177.93 178.49 3fzr h TYR 513 N 0.19 0.00 0.15 2.45 3.20 -0.86 -1.92 116.97 120.19 3fzr h TYR 513 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3fzr h TYR 513 Cb 1.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.83 3fzr h TYR 513 CO 0.05 0.30 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.73 3fzr h LEU 514 N 0.00 -0.17 -1.28 2.82 3.38 -0.32 -3.17 115.31 116.57 3fzr h LEU 514 Ca -0.00 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3fzr h LEU 514 Cb 0.56 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3fzr h LEU 514 CO 0.04 0.18 0.49 -0.33 0.09 0.00 0.00 178.44 178.91 3fzr h GLU 515 N -0.55 0.94 -0.85 1.13 5.08 -1.07 -2.97 114.58 116.30 3fzr h GLU 515 Ca -0.02 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 3fzr h GLU 515 Cb 0.42 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 3fzr h GLU 515 CO 0.03 0.62 0.20 0.54 -1.00 0.00 0.00 179.01 179.41 3fzr n ARG 516 N -4.43 2.78 -0.63 2.33 1.74 -0.75 -4.02 116.66 113.68 3fzr n ARG 516 Ca 0.09 -2.05 -0.02 0.00 -0.77 0.00 0.00 57.85 55.10 3fzr n ARG 516 Cb 0.06 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 3fzr n ARG 516 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fzr n ASN 517 N -0.05 -0.24 -0.13 0.55 3.02 -1.13 -4.97 115.26 112.31 3fzr n ASN 517 Ca 0.28 -1.26 -0.10 0.00 -0.03 0.00 0.00 54.58 53.47 3fzr n ASN 517 Cb 1.07 0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 40.25 3fzr n ASN 517 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3fzr h LYS 518 N 0.00 -0.32 -0.09 3.52 1.57 -1.67 -1.53 116.57 118.06 3fzr h LYS 518 Ca -0.14 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3fzr h LYS 518 Cb 1.11 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3fzr h LYS 518 CO -0.07 -0.21 -0.05 -0.91 -0.57 0.00 0.00 179.45 177.64 3fzr h ASN 519 N -0.33 0.11 0.75 0.86 2.35 -1.92 -2.91 115.58 114.49 3fzr h ASN 519 Ca 0.13 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.63 3fzr h ASN 519 Cb 0.59 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3fzr h ASN 519 CO -0.58 0.19 -1.09 -1.28 -1.65 0.00 0.00 177.43 173.01 3fzr h SER 520 N 0.12 0.25 -3.22 5.81 0.87 -1.70 -3.46 113.55 112.22 3fzr h SER 520 Ca 0.03 -0.25 -0.55 0.00 -1.23 0.00 0.00 61.79 59.79 3fzr h SER 520 Cb 0.18 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3fzr h SER 520 CO 0.01 1.17 0.57 -0.76 -0.53 0.00 0.00 176.83 177.29 3fzr s LEU 521 N -7.04 4.30 -0.26 2.23 1.43 -0.71 -5.04 118.68 113.60 3fzr s LEU 521 Ca -0.02 1.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.68 3fzr s LEU 521 Cb 0.09 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3fzr s LEU 521 CO 0.85 -0.46 0.34 -0.54 0.23 0.00 0.00 176.35 176.77 3fzr s LYS 522 N 1.71 4.04 0.29 1.70 1.02 -1.26 -4.94 119.74 122.29 3fzr s LYS 522 Ca 0.54 0.01 0.20 0.00 0.02 0.00 0.00 55.97 56.73 3fzr s LYS 522 Cb -0.23 -3.63 0.67 0.00 -0.52 0.00 0.00 37.83 34.12 3fzr s LYS 522 CO 0.23 -0.21 0.71 0.28 -0.92 0.00 0.00 175.35 175.45 3fzr n VAL 523 N 4.93 0.00 0.29 3.17 0.31 -1.26 0.43 118.33 126.20 3fzr n VAL 523 Ca -0.09 0.69 0.18 0.00 -0.01 0.00 0.00 64.34 65.11 3fzr n VAL 523 Cb 0.51 -1.18 0.87 0.00 -0.91 0.00 0.00 33.84 33.12 3fzr n VAL 523 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3fzr h LEU 524 N 0.00 0.00 0.01 7.52 5.85 -1.92 -2.25 115.31 124.52 3fzr h LEU 524 Ca 0.37 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.93 3fzr h LEU 524 Cb 1.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3fzr h LEU 524 CO -0.00 0.03 -0.82 0.74 -0.34 0.00 0.00 178.44 178.04 3fzr h THR 525 N 0.00 1.25 -0.29 1.05 2.02 0.83 -2.72 112.91 115.05 3fzr h THR 525 Ca -0.00 -2.27 0.08 0.00 0.77 0.00 0.00 66.41 65.00 3fzr h THR 525 Cb 0.32 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 3fzr h THR 525 CO 0.00 0.47 0.42 -0.07 0.37 0.00 0.00 175.52 176.71 3fzr h LEU 526 N -0.92 0.00 0.11 2.58 3.38 -1.55 0.65 115.31 119.55 3fzr h LEU 526 Ca -0.22 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 3fzr h LEU 526 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3fzr h LEU 526 CO -0.10 0.00 -1.84 0.58 0.09 0.00 0.00 178.44 177.17 3fzr h VAL 527 N 0.00 0.70 -0.62 1.22 2.07 -1.51 -3.14 116.25 114.97 3fzr h VAL 527 Ca 0.14 -2.32 0.10 0.00 0.82 0.00 0.00 66.70 65.44 3fzr h VAL 527 Cb 0.98 2.47 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 3fzr h VAL 527 CO -0.00 0.79 0.22 0.25 0.02 0.00 0.00 177.57 178.84 3fzr h LEU 528 N -0.14 0.20 0.28 2.57 5.85 -0.79 0.29 115.31 123.57 3fzr h LEU 528 Ca -0.41 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3fzr h LEU 528 Cb 1.90 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 3fzr h LEU 528 CO 0.04 0.11 -0.36 1.88 -0.34 0.00 0.00 178.44 179.77 3fzr h TYR 529 N 0.39 -0.97 -0.69 1.25 0.05 -1.05 -0.67 116.97 115.28 3fzr h TYR 529 Ca 0.32 0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.25 3fzr h TYR 529 Cb 0.41 0.39 -0.10 0.00 1.01 0.00 0.00 36.73 38.44 3fzr h TYR 529 CO -0.18 -0.49 0.18 0.77 -1.05 0.00 0.00 178.16 177.39 3fzr h SER 530 N -0.69 0.05 -0.68 3.88 0.02 -1.43 0.96 113.55 115.67 3fzr h SER 530 Ca -0.01 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3fzr h SER 530 Cb 0.65 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3fzr h SER 530 CO -0.11 0.00 0.44 0.25 -1.14 0.00 0.00 176.83 176.27 3fzr h LEU 531 N 0.29 0.75 -0.51 5.07 5.85 0.23 -0.04 115.31 126.95 3fzr h LEU 531 Ca 0.38 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.93 3fzr h LEU 531 Cb 0.61 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3fzr h LEU 531 CO -0.46 0.53 -0.49 1.56 -0.34 0.00 0.00 178.44 179.25 3fzr h GLN 532 N 0.89 0.66 -0.57 1.25 4.20 0.38 -1.64 115.11 120.28 3fzr h GLN 532 Ca 0.26 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3fzr h GLN 532 Cb -0.06 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3fzr h GLN 532 CO -0.07 1.00 0.34 0.82 -0.67 0.00 0.00 178.83 180.25 3fzr h ILE 533 N 0.52 1.17 -0.23 2.54 1.08 -0.53 -1.93 117.51 120.13 3fzr h ILE 533 Ca 0.03 -0.38 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 3fzr h ILE 533 Cb 1.04 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 3fzr h ILE 533 CO 0.10 0.18 -0.00 0.00 -0.69 0.00 0.00 178.15 177.73 3fzr h LYS 535 N 0.07 0.16 -0.29 0.00 1.57 -1.05 0.10 116.57 117.13 3fzr h LYS 535 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3fzr h LYS 535 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3fzr h LYS 535 CO -0.19 0.19 0.10 0.00 -0.57 0.00 0.00 179.45 178.99 3fzr h ALA 536 N 1.83 0.38 -0.38 3.86 0.00 -0.54 -0.69 119.26 123.72 3fzr h ALA 536 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fzr h ALA 536 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fzr h ALA 536 CO 0.00 -0.00 0.22 0.52 0.00 0.00 0.00 179.25 180.00 3fzr h MET 537 N 0.31 0.51 -0.59 0.00 2.86 -0.07 -0.82 114.93 117.13 3fzr h MET 537 Ca 0.09 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3fzr h MET 537 Cb 0.23 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3fzr h MET 537 CO -0.00 0.39 0.29 0.00 1.06 0.00 0.00 176.91 178.64 3fzr h ALA 538 N 1.09 0.77 0.44 6.32 0.00 -0.68 0.42 119.26 127.62 3fzr h ALA 538 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fzr h ALA 538 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fzr h ALA 538 CO -0.02 -0.08 -0.30 -0.92 0.00 0.00 0.00 179.25 177.93 3fzr h TYR 539 N 0.53 -0.78 -0.93 0.00 3.20 -0.88 -1.44 116.97 116.67 3fzr h TYR 539 Ca 0.27 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.28 3fzr h TYR 539 Cb 0.23 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.69 3fzr h TYR 539 CO -0.11 -0.45 0.55 -0.07 -1.64 0.00 0.00 178.16 176.44 3fzr h LEU 540 N -0.71 0.75 -0.79 2.82 3.38 -0.39 -0.08 115.31 120.29 3fzr h LEU 540 Ca -0.05 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3fzr h LEU 540 Cb 0.59 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3fzr h LEU 540 CO 0.03 0.36 0.41 -0.08 0.09 0.00 0.00 178.44 179.25 3fzr h GLU 541 N 0.81 1.12 -0.69 1.13 4.81 0.12 -0.82 114.58 121.06 3fzr h GLU 541 Ca 0.49 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 3fzr h GLU 541 Cb 0.60 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3fzr h GLU 541 CO -0.31 0.84 0.45 0.66 -0.73 0.00 0.00 179.01 179.91 3fzr h SER 542 N 1.10 0.76 -0.20 1.04 4.64 0.07 -2.08 113.55 118.89 3fzr h SER 542 Ca 0.28 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3fzr h SER 542 Cb 0.06 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3fzr h SER 542 CO -0.04 0.54 0.00 2.30 -0.87 0.00 0.00 176.83 178.77 3fzr n ILE 543 N -4.63 0.96 -2.31 0.95 -5.35 -0.86 -4.88 119.36 103.24 3fzr n ILE 543 Ca 0.06 -0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 61.91 3fzr n ILE 543 Cb 0.04 -0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 37.50 3fzr n ILE 543 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fzr n ASN 544 N 0.21 -4.62 -4.67 7.28 4.13 -0.78 -5.01 115.26 111.80 3fzr n ASN 544 Ca 0.10 -0.02 -0.24 0.00 1.68 0.00 0.00 54.58 56.10 3fzr n ASN 544 Cb 0.58 -3.74 -0.07 0.00 -1.54 0.00 0.00 39.78 35.01 3fzr n ASN 544 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fzr s VAL 546 N -2.17 1.52 -0.16 0.00 -7.23 -0.44 -4.09 120.40 107.82 3fzr s VAL 546 Ca 0.31 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3fzr s VAL 546 Cb -0.07 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 35.01 3fzr s VAL 546 CO 0.20 -0.58 -0.17 -2.28 -0.31 0.00 0.00 175.10 171.96 3fzr s HIS 547 N -2.83 2.44 -2.39 2.82 2.46 -1.26 -0.44 115.29 116.08 3fzr s HIS 547 Ca 0.18 -1.41 0.22 0.00 0.47 0.00 0.00 55.06 54.52 3fzr s HIS 547 Cb -0.01 -1.74 0.62 0.00 -0.13 0.00 0.00 32.58 31.32 3fzr s HIS 547 CO 0.04 -0.73 1.49 0.54 -2.47 0.00 0.00 174.74 173.61 3fzr n ARG 548 N 4.69 2.01 -3.15 2.88 1.74 0.19 -4.57 116.66 120.44 3fzr n ARG 548 Ca -0.19 -1.52 -0.19 0.00 -0.77 0.00 0.00 57.85 55.18 3fzr n ARG 548 Cb 0.50 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 3fzr n ARG 548 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fzr n ASP 549 N 0.75 0.34 -4.46 0.55 2.03 -1.26 -4.91 116.55 109.58 3fzr n ASP 549 Ca 0.17 -2.95 -0.44 0.00 0.52 0.00 0.00 54.79 52.10 3fzr n ASP 549 Cb 0.43 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 3fzr n ASP 549 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fzr s ILE 550 N -1.78 4.62 -0.01 5.18 1.01 -1.26 -4.79 121.20 124.16 3fzr s ILE 550 Ca 0.37 -1.38 -0.15 0.00 0.00 0.00 0.00 60.65 59.49 3fzr s ILE 550 Cb 0.28 -4.79 0.02 0.00 0.01 0.00 0.00 42.46 37.99 3fzr s ILE 550 CO -0.09 -1.53 0.31 0.00 0.00 0.00 0.00 174.94 173.62 3fzr s ALA 551 N 3.01 -0.78 0.35 9.38 0.00 -1.26 -4.55 121.76 127.91 3fzr s ALA 551 Ca 0.32 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.67 3fzr s ALA 551 Cb -0.06 0.08 0.66 0.00 0.00 0.00 0.00 23.12 23.81 3fzr s ALA 551 CO -0.07 -0.26 1.86 -0.24 0.00 0.00 0.00 175.76 177.04 3fzr h VAL 552 N 3.86 1.21 0.00 0.00 3.04 -1.91 -0.69 116.25 121.76 3fzr h VAL 552 Ca -0.30 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.48 3fzr h VAL 552 Cb 1.18 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3fzr h VAL 552 CO 0.40 0.29 0.00 -2.11 -1.01 0.00 0.00 177.57 175.14 3fzr n ARG 553 N -4.23 0.11 -0.34 4.17 1.85 -1.26 -2.44 116.66 114.52 3fzr n ARG 553 Ca -0.00 0.12 0.08 0.00 -1.00 0.00 0.00 57.85 57.05 3fzr n ARG 553 Cb 0.30 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.43 3fzr n ARG 553 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3fzr n ASN 554 N -1.42 3.49 -4.26 2.89 4.05 -0.29 -4.85 115.26 114.88 3fzr n ASN 554 Ca 0.07 -2.78 -0.30 0.00 0.45 0.00 0.00 54.58 52.02 3fzr n ASN 554 Cb 0.22 -0.45 -0.16 0.00 1.23 0.00 0.00 39.78 40.61 3fzr n ASN 554 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3fzr s ILE 555 N -2.39 1.94 0.03 -1.44 1.01 -1.02 -1.98 121.20 117.34 3fzr s ILE 555 Ca 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3fzr s ILE 555 Cb 0.28 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3fzr s ILE 555 CO 0.09 0.54 0.12 -0.76 0.00 0.00 0.00 174.94 174.94 3fzr s LEU 556 N -0.26 4.03 -0.46 2.97 1.02 0.15 -1.07 118.68 125.05 3fzr s LEU 556 Ca 0.00 0.16 -0.17 0.00 0.02 0.00 0.00 54.13 54.14 3fzr s LEU 556 Cb -0.12 -2.50 0.05 0.00 0.02 0.00 0.00 46.19 43.63 3fzr s LEU 556 CO 0.02 0.23 0.48 -0.69 0.02 0.00 0.00 176.35 176.40 3fzr s VAL 557 N -1.32 5.07 0.05 -1.59 1.01 -0.62 0.07 120.40 123.07 3fzr s VAL 557 Ca 0.27 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3fzr s VAL 557 Cb -0.12 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.88 3fzr s VAL 557 CO 0.19 -0.57 1.14 0.00 0.00 0.00 0.00 175.10 175.86 3fzr h ALA 558 N 8.81 0.08 -2.28 5.51 0.00 -1.03 -3.36 119.26 126.99 3fzr h ALA 558 Ca -0.27 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 3fzr h ALA 558 Cb 1.11 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fzr h ALA 558 CO 0.86 0.59 0.01 -1.13 0.00 0.00 0.00 179.25 179.58 3fzr n SER 559 N -3.94 -0.11 0.16 0.00 3.41 -0.35 -4.84 113.62 107.96 3fzr n SER 559 Ca -0.11 -1.09 0.05 0.00 -0.26 0.00 0.00 58.87 57.45 3fzr n SER 559 Cb 0.85 0.18 0.13 0.00 -0.26 0.00 0.00 64.21 65.11 3fzr n SER 559 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3fzr h PRO 560 N 0.00 0.00 -0.54 4.33 0.11 -2.03 -3.13 132.00 130.74 3fzr h PRO 560 Ca -0.02 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.82 3fzr h PRO 560 Cb 0.07 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.01 3fzr h PRO 560 CO 0.02 0.41 0.13 0.39 -0.21 0.00 0.00 178.00 178.73 3fzr n GLU 561 N -3.27 1.99 -3.48 1.05 4.71 -1.26 -4.93 120.64 115.45 3fzr n GLU 561 Ca 0.02 -3.14 0.01 0.00 -0.01 0.00 0.00 57.16 54.03 3fzr n GLU 561 Cb 0.65 -1.92 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 3fzr n GLU 561 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3fzr s VAL 563 N 2.58 3.21 -0.05 0.00 -7.23 -1.26 -0.37 120.40 117.28 3fzr s VAL 563 Ca -0.04 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3fzr s VAL 563 Cb -0.08 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.24 3fzr s VAL 563 CO -0.18 -0.24 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.80 3fzr s LYS 564 N -3.20 0.75 0.46 4.82 -0.14 0.11 -4.59 119.74 117.95 3fzr s LYS 564 Ca 0.28 -0.06 -0.22 0.00 -1.36 0.00 0.00 55.97 54.61 3fzr s LYS 564 Cb -0.08 -0.83 -0.08 0.00 -1.68 0.00 0.00 37.83 35.16 3fzr s LYS 564 CO 0.17 -0.12 1.06 -1.17 -0.76 0.00 0.00 175.35 174.53 3fzr s LEU 565 N 1.09 3.94 0.00 3.17 2.96 0.51 -0.68 118.68 129.67 3fzr s LEU 565 Ca -0.08 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 3fzr s LEU 565 Cb -0.14 -4.41 0.00 0.00 0.50 0.00 0.00 46.19 42.14 3fzr s LEU 565 CO -0.01 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 3fzr n GLY 566 N 0.05 0.00 0.00 7.98 0.00 -0.84 -1.31 105.19 111.07 3fzr n GLY 566 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3fzr n GLY 566 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fzr n ASP 567 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.33 116.55 114.60 3fzr n ASP 567 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3fzr n ASP 567 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3fzr n ASP 567 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3fzr n PHE 568 N 0.00 0.00 0.00 -0.67 7.35 -1.26 -4.86 117.46 118.02 3fzr n PHE 568 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3fzr n PHE 568 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3fzr n PHE 568 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fzr n GLY 569 N 0.00 2.08 3.70 7.13 0.00 -1.26 -4.36 105.19 112.49 3fzr n GLY 569 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3fzr n GLY 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fzr n LEU 570 N 0.00 3.86 0.00 0.99 4.77 -1.26 0.53 117.00 125.89 3fzr n LEU 570 Ca 0.00 1.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.96 3fzr n LEU 570 Cb 0.00 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 39.55 3fzr n LEU 570 CO 0.00 0.11 0.24 -0.24 -1.33 0.00 0.00 177.39 176.16 3fzr n SER 571 N 4.30 -1.14 0.00 -1.43 2.88 0.41 -4.82 113.62 113.82 3fzr n SER 571 Ca 0.17 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 3fzr n SER 571 Cb 0.34 1.96 0.00 0.00 -0.75 0.00 0.00 64.21 65.76 3fzr n SER 571 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3fzr n ARG 572 N -0.31 -1.72 0.00 -1.46 0.63 -1.26 -1.33 116.66 111.20 3fzr n ARG 572 Ca -0.03 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 3fzr n ARG 572 Cb 0.34 -4.11 0.00 0.00 0.45 0.00 0.00 32.46 29.14 3fzr n ARG 572 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3fzr n THR 585 N -1.34 0.00 -2.64 5.15 -2.24 -1.26 -4.79 114.28 107.17 3fzr n THR 585 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3fzr n THR 585 Cb 0.30 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3fzr n THR 585 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fzr s ARG 586 N 0.00 4.23 -0.14 -0.78 0.52 -1.26 -5.02 118.95 116.50 3fzr s ARG 586 Ca 0.00 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 3fzr s ARG 586 Cb 0.00 -3.66 0.02 0.00 0.52 0.00 0.00 34.95 31.83 3fzr s ARG 586 CO 0.00 -0.68 -0.12 -0.51 0.02 0.00 0.00 175.30 174.01 3fzr s LEU 587 N 3.30 1.54 -0.00 2.53 1.43 -1.26 -5.01 118.68 121.20 3fzr s LEU 587 Ca 0.45 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3fzr s LEU 587 Cb -0.15 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3fzr s LEU 587 CO 0.08 -0.07 0.98 -0.81 0.23 0.00 0.00 176.35 176.76 3fzr n PRO 588 N 4.82 0.00 -0.33 1.29 -0.04 -1.26 -4.52 135.00 134.96 3fzr n PRO 588 Ca -0.16 -0.48 0.18 0.00 -0.04 0.00 0.00 63.50 63.01 3fzr n PRO 588 Cb 0.50 -1.98 0.42 0.00 -0.04 0.00 0.00 33.50 32.40 3fzr n PRO 588 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3fzr h ILE 589 N 3.96 0.58 0.00 0.52 1.08 -1.95 1.01 117.51 122.72 3fzr h ILE 589 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3fzr h ILE 589 Cb 0.00 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 3fzr h ILE 589 CO 0.98 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 178.83 3fzr n LYS 590 N -4.74 0.03 -0.01 2.37 4.01 -1.26 -2.39 118.16 116.17 3fzr n LYS 590 Ca 0.25 0.30 0.03 0.00 -0.51 0.00 0.00 58.31 58.37 3fzr n LYS 590 Cb 0.75 -1.56 0.03 0.00 -0.51 0.00 0.00 35.03 33.74 3fzr n LYS 590 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 3fzr n TRP 591 N -1.61 0.01 -3.97 2.13 8.01 0.34 -4.86 117.44 117.50 3fzr n TRP 591 Ca 0.03 -0.03 -0.35 0.00 -1.31 0.00 0.00 57.50 55.84 3fzr n TRP 591 Cb 0.17 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.40 3fzr n TRP 591 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3fzr s MET 592 N -0.50 3.34 0.89 -0.99 -1.94 -0.78 -4.05 119.30 115.29 3fzr s MET 592 Ca 0.07 -0.25 -0.10 0.00 -1.71 0.00 0.00 55.69 53.69 3fzr s MET 592 Cb 0.05 -3.08 0.13 0.00 2.01 0.00 0.00 34.83 33.93 3fzr s MET 592 CO 0.07 0.73 1.14 -1.54 -0.01 0.00 0.00 175.02 175.41 3fzr s SER 593 N -1.33 3.21 0.17 3.03 1.04 -1.26 -4.82 113.70 113.74 3fzr s SER 593 Ca 0.19 2.14 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 3fzr s SER 593 Cb -0.12 -2.56 0.10 0.00 0.10 0.00 0.00 66.02 63.54 3fzr s SER 593 CO 0.09 -2.91 1.77 -0.65 0.98 0.00 0.00 173.24 172.51 3fzr h PRO 594 N -1.71 0.38 -0.79 4.02 0.11 -1.97 -0.19 132.00 131.85 3fzr h PRO 594 Ca -0.43 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3fzr h PRO 594 Cb 1.26 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3fzr h PRO 594 CO 0.43 0.25 0.52 0.93 -0.21 0.00 0.00 178.00 179.92 3fzr h GLU 595 N 0.39 0.85 0.00 1.05 3.07 -1.91 0.11 114.58 118.14 3fzr h GLU 595 Ca 0.20 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3fzr h GLU 595 Cb 0.14 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3fzr h GLU 595 CO -0.16 0.56 -0.11 0.77 -1.40 0.00 0.00 179.01 178.67 3fzr h SER 596 N 0.87 0.00 0.00 1.42 0.02 -1.10 -2.59 113.55 112.18 3fzr h SER 596 Ca 0.34 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3fzr h SER 596 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3fzr h SER 596 CO -0.12 0.11 -0.55 0.40 -1.14 0.00 0.00 176.83 175.53 3fzr h ILE 597 N 0.00 0.47 0.74 3.27 2.04 -0.30 -3.20 117.51 120.53 3fzr h ILE 597 Ca -0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 3fzr h ILE 597 Cb 0.25 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3fzr h ILE 597 CO 0.01 0.16 -0.35 0.78 0.00 0.00 0.00 178.15 178.75 3fzr h ASN 598 N -1.00 -0.84 -0.64 1.72 -0.26 -1.13 -3.33 115.58 110.11 3fzr h ASN 598 Ca -0.10 0.01 -0.30 0.00 -0.56 0.00 0.00 56.30 55.35 3fzr h ASN 598 Cb 0.69 0.22 -0.18 0.00 -1.06 0.00 0.00 38.32 37.98 3fzr h ASN 598 CO -0.06 -0.52 0.25 0.49 -1.06 0.00 0.00 177.43 176.53 3fzr n PHE 599 N -5.47 2.02 -1.04 1.19 0.99 -0.98 -4.95 117.46 109.22 3fzr n PHE 599 Ca -0.14 -1.60 0.00 0.00 -0.00 0.00 0.00 57.45 55.72 3fzr n PHE 599 Cb 0.40 -0.68 0.00 0.00 -1.00 0.00 0.00 39.48 38.20 3fzr n PHE 599 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3fzr n ARG 600 N -0.97 -1.18 -2.33 -1.08 0.63 -1.21 -4.83 116.66 105.69 3fzr n ARG 600 Ca 0.44 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.94 3fzr n ARG 600 Cb 1.32 -2.91 -0.02 0.00 0.45 0.00 0.00 32.46 31.30 3fzr n ARG 600 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3fzr s ARG 601 N -2.00 3.84 -0.77 -0.14 0.52 -1.20 -4.96 118.95 114.24 3fzr s ARG 601 Ca 0.00 1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 56.51 3fzr s ARG 601 Cb 0.00 -3.94 0.19 0.00 0.52 0.00 0.00 34.95 31.73 3fzr s ARG 601 CO 0.00 -1.22 0.63 -0.06 0.02 0.00 0.00 175.30 174.66 3fzr s PHE 602 N 4.73 3.67 0.57 -0.53 0.40 -1.26 -3.56 117.98 122.00 3fzr s PHE 602 Ca 0.61 -2.89 0.07 0.00 -0.60 0.00 0.00 56.93 54.11 3fzr s PHE 602 Cb -0.18 -3.21 0.08 0.00 0.51 0.00 0.00 43.02 40.21 3fzr s PHE 602 CO 0.26 -0.78 0.79 0.95 0.70 0.00 0.00 175.22 177.14 3fzr s THR 603 N -0.80 2.34 0.25 0.64 -4.23 -1.26 -4.97 115.64 107.61 3fzr s THR 603 Ca 0.23 -0.90 0.32 0.00 -1.18 0.00 0.00 61.69 60.16 3fzr s THR 603 Cb -0.13 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.62 3fzr s THR 603 CO -0.09 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.02 3fzr h THR 604 N 0.11 0.22 0.00 3.99 1.03 -1.97 -0.96 112.91 115.33 3fzr h THR 604 Ca -0.34 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 3fzr h THR 604 Cb 1.28 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 3fzr h THR 604 CO 0.42 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 176.00 3fzr h ALA 605 N 1.93 1.00 0.00 0.00 0.00 -1.94 -1.81 119.26 118.43 3fzr h ALA 605 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fzr h ALA 605 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fzr h ALA 605 CO 0.01 0.00 -1.14 0.66 0.00 0.00 0.00 179.25 178.78 3fzr h SER 606 N 0.00 0.00 0.62 0.00 4.64 -1.57 -3.17 113.55 114.07 3fzr h SER 606 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3fzr h SER 606 Cb 0.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3fzr h SER 606 CO 0.00 0.28 -0.60 0.44 -0.87 0.00 0.00 176.83 176.08 3fzr h ASP 607 N 0.00 0.00 -0.63 4.97 5.19 -1.02 -1.07 116.42 123.86 3fzr h ASP 607 Ca -0.08 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.24 3fzr h ASP 607 Cb 1.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 3fzr h ASP 607 CO 0.02 0.60 0.03 0.58 -3.12 0.00 0.00 179.24 177.36 3fzr h VAL 608 N 0.00 1.27 0.61 -1.35 2.07 -1.35 0.19 116.25 117.68 3fzr h VAL 608 Ca -0.01 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3fzr h VAL 608 Cb 1.07 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3fzr h VAL 608 CO 0.08 0.41 -0.29 -0.25 0.02 0.00 0.00 177.57 177.54 3fzr h TRP 609 N 1.01 -0.76 -0.99 1.57 2.91 -1.45 -2.56 115.95 115.67 3fzr h TRP 609 Ca 0.18 -0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.40 3fzr h TRP 609 Cb 0.53 0.25 -0.10 0.00 -0.51 0.00 0.00 29.16 29.33 3fzr h TRP 609 CO 0.04 -0.42 0.62 1.98 -1.03 0.00 0.00 178.44 179.63 3fzr h MET 610 N -1.04 0.59 -0.47 2.65 4.05 -1.10 -1.53 114.93 118.07 3fzr h MET 610 Ca -0.08 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.21 3fzr h MET 610 Cb 0.68 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 3fzr h MET 610 CO 0.14 0.39 -0.06 0.35 0.23 0.00 0.00 176.91 177.96 3fzr h PHE 611 N 0.61 0.90 0.00 1.39 3.57 -0.45 -2.66 116.94 120.28 3fzr h PHE 611 Ca 0.57 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3fzr h PHE 611 Cb 1.11 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3fzr h PHE 611 CO -0.00 0.85 -0.35 0.00 -2.23 0.00 0.00 178.31 176.58 3fzr h ALA 612 N 1.18 1.24 0.00 2.41 0.00 -0.87 -2.16 119.26 121.05 3fzr h ALA 612 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3fzr h ALA 612 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fzr h ALA 612 CO 0.03 0.43 -0.46 0.28 0.00 0.00 0.00 179.25 179.53 3fzr h VAL 613 N 0.00 1.08 0.00 0.00 2.07 -1.17 -2.24 116.25 115.98 3fzr h VAL 613 Ca -0.00 -1.74 -0.15 0.00 0.82 0.00 0.00 66.70 65.62 3fzr h VAL 613 Cb 0.69 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3fzr h VAL 613 CO 0.04 0.45 -0.71 0.00 0.02 0.00 0.00 177.57 177.37 3fzr h MET 615 N 0.00 0.54 0.35 0.00 2.86 -1.25 -1.33 114.93 116.10 3fzr h MET 615 Ca -0.01 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 3fzr h MET 615 Cb 1.49 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.25 3fzr h MET 615 CO 0.09 1.12 -0.45 2.35 1.06 0.00 0.00 176.91 181.08 3fzr h TRP 616 N 0.13 -1.26 -0.90 -0.22 7.01 -1.44 -1.00 115.95 118.26 3fzr h TRP 616 Ca -0.06 0.02 0.24 0.00 2.11 0.00 0.00 58.89 61.20 3fzr h TRP 616 Cb 1.28 0.50 -0.16 0.00 -2.10 0.00 0.00 29.16 28.69 3fzr h TRP 616 CO 0.12 -0.57 0.08 0.93 -2.79 0.00 0.00 178.44 176.21 3fzr h GLU 617 N -0.83 0.08 0.34 2.65 5.08 -1.29 0.22 114.58 120.83 3fzr h GLU 617 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3fzr h GLU 617 Cb 0.74 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3fzr h GLU 617 CO -0.11 0.05 -0.16 0.82 -1.00 0.00 0.00 179.01 178.61 3fzr h ILE 618 N 0.08 0.00 -0.87 3.13 2.04 -0.93 -1.79 117.51 119.17 3fzr h ILE 618 Ca 0.55 -0.12 0.25 0.00 1.00 0.00 0.00 64.86 66.53 3fzr h ILE 618 Cb 1.09 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3fzr h ILE 618 CO -0.79 0.00 0.93 -0.07 0.00 0.00 0.00 178.15 178.22 3fzr h LEU 619 N -0.58 0.00 -3.89 1.44 3.38 -0.21 0.66 115.31 116.11 3fzr h LEU 619 Ca -0.05 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.44 3fzr h LEU 619 Cb 0.35 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.82 3fzr h LEU 619 CO 0.08 0.00 0.54 -1.20 0.09 0.00 0.00 178.44 177.95 3fzr n SER 620 N -3.50 4.00 -4.24 -0.43 7.64 0.67 -4.51 113.62 113.24 3fzr n SER 620 Ca 0.19 -3.66 -0.35 0.00 1.01 0.00 0.00 58.87 56.06 3fzr n SER 620 Cb 1.21 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 3fzr n SER 620 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3fzr n PHE 621 N -1.12 -1.27 -0.91 1.43 3.01 0.23 -1.82 117.46 117.02 3fzr n PHE 621 Ca 0.56 0.46 0.00 0.00 1.01 0.00 0.00 57.45 59.48 3fzr n PHE 621 Cb 1.46 -2.75 0.00 0.00 -0.01 0.00 0.00 39.48 38.18 3fzr n PHE 621 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fzr n GLY 622 N -2.45 0.65 3.77 1.37 0.00 -0.69 -4.34 105.19 103.50 3fzr n GLY 622 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3fzr n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fzr s LYS 623 N -0.09 4.15 -0.10 1.61 -0.14 -0.76 -4.94 119.74 119.47 3fzr s LYS 623 Ca 0.00 2.51 -0.30 0.00 -1.36 0.00 0.00 55.97 56.83 3fzr s LYS 623 Cb 0.00 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.12 3fzr s LYS 623 CO 0.00 -0.52 1.18 -1.14 -0.76 0.00 0.00 175.35 174.11 3fzr s GLN 624 N -1.39 4.32 0.43 1.68 2.00 -1.26 -4.70 119.66 120.74 3fzr s GLN 624 Ca 0.56 1.61 -0.24 0.00 -2.00 0.00 0.00 55.36 55.29 3fzr s GLN 624 Cb -0.46 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 29.64 3fzr s GLN 624 CO 0.55 -0.51 1.11 -0.35 -0.50 0.00 0.00 175.29 175.59 3fzr n PRO 625 N 5.61 1.54 -4.39 1.67 -0.04 -1.26 -2.82 135.00 135.32 3fzr n PRO 625 Ca 0.11 0.55 -0.36 0.00 -0.04 0.00 0.00 63.50 63.77 3fzr n PRO 625 Cb 0.46 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 3fzr n PRO 625 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3fzr n PHE 626 N -0.43 -1.19 0.28 0.54 3.72 -1.26 -4.80 117.46 114.31 3fzr n PHE 626 Ca 0.09 0.64 0.13 0.00 -0.05 0.00 0.00 57.45 58.25 3fzr n PHE 626 Cb 0.39 -2.32 0.59 0.00 -0.94 0.00 0.00 39.48 37.21 3fzr n PHE 626 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3fzr h PHE 627 N -1.33 0.00 0.00 1.38 -5.15 -1.94 -1.84 116.94 108.06 3fzr h PHE 627 Ca -0.62 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.13 3fzr h PHE 627 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.54 3fzr h PHE 627 CO 0.60 0.00 -0.09 0.11 -2.00 0.00 0.00 178.31 176.93 3fzr h TRP 628 N 0.00 0.00 -2.21 6.09 0.09 -1.89 -3.45 115.95 114.57 3fzr h TRP 628 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.89 58.51 3fzr h TRP 628 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.42 3fzr h TRP 628 CO 0.00 0.09 -0.44 -0.51 0.09 0.00 0.00 178.44 177.67 3fzr s LEU 629 N -6.26 4.27 0.05 0.11 1.43 -0.69 -5.11 118.68 112.47 3fzr s LEU 629 Ca 0.06 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3fzr s LEU 629 Cb 0.06 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3fzr s LEU 629 CO 0.68 -0.06 0.17 -1.83 0.23 0.00 0.00 176.35 175.54 3fzr s GLU 630 N -3.93 3.31 0.06 1.70 1.03 -1.26 -5.03 118.70 114.58 3fzr s GLU 630 Ca 0.34 -0.47 -0.12 0.00 0.03 0.00 0.00 54.97 54.76 3fzr s GLU 630 Cb -0.09 -2.98 -0.03 0.00 -0.80 0.00 0.00 34.13 30.23 3fzr s GLU 630 CO 0.29 0.62 1.01 0.09 -1.33 0.00 0.00 175.26 175.93 3fzr n ASN 631 N 0.51 -0.40 0.00 0.83 3.02 -1.26 -1.72 115.26 116.24 3fzr n ASN 631 Ca -0.07 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 3fzr n ASN 631 Cb 0.52 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3fzr n ASN 631 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3fzr n LYS 632 N -3.83 0.00 -0.30 3.52 0.00 -1.26 -1.28 118.16 115.01 3fzr n LYS 632 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.33 3fzr n LYS 632 Cb 0.10 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.70 3fzr n LYS 632 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3fzr n ASP 633 N -0.45 0.38 -0.03 3.14 8.00 -0.70 -4.85 116.55 122.04 3fzr n ASP 633 Ca 0.00 -1.89 -0.14 0.00 0.71 0.00 0.00 54.79 53.47 3fzr n ASP 633 Cb 0.00 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 3fzr n ASP 633 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fzr h VAL 634 N 4.84 1.45 -0.06 2.53 2.07 -1.34 -2.88 116.25 122.86 3fzr h VAL 634 Ca 0.00 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.08 3fzr h VAL 634 Cb 1.21 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.27 3fzr h VAL 634 CO 0.00 0.40 -0.21 0.40 0.02 0.00 0.00 177.57 178.18 3fzr h ILE 635 N -0.41 0.49 -0.80 4.57 5.03 -1.89 -0.11 117.51 124.40 3fzr h ILE 635 Ca -0.00 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.88 3fzr h ILE 635 Cb 0.70 0.49 -0.14 0.00 -3.03 0.00 0.00 36.82 34.84 3fzr h ILE 635 CO 0.02 0.00 -0.31 1.23 -0.68 0.00 0.00 178.15 178.41 3fzr h GLY 636 N -0.30 0.20 0.70 5.37 0.00 -1.91 0.19 103.07 107.31 3fzr h GLY 636 Ca 0.08 0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.83 3fzr h GLY 636 CO -0.24 -0.25 -0.18 -2.08 0.00 0.00 0.00 176.54 173.79 3fzr h VAL 637 N -0.06 0.58 -0.16 4.60 2.07 -0.83 -2.30 116.25 120.15 3fzr h VAL 637 Ca 0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 3fzr h VAL 637 Cb 0.59 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fzr h VAL 637 CO -0.84 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 176.64 3fzr h LEU 638 N -0.36 0.22 -0.51 2.57 3.38 -0.21 -1.50 115.31 118.90 3fzr h LEU 638 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3fzr h LEU 638 Cb 0.37 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fzr h LEU 638 CO -0.09 0.30 0.28 -0.33 0.09 0.00 0.00 178.44 178.69 3fzr h GLU 639 N 0.24 0.71 0.00 1.13 4.39 -0.17 0.19 114.58 121.08 3fzr h GLU 639 Ca 0.05 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3fzr h GLU 639 Cb 0.23 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3fzr h GLU 639 CO 0.01 0.56 -0.05 0.87 -1.16 0.00 0.00 179.01 179.24 3fzr h LYS 640 N 0.68 0.00 0.00 2.33 1.79 -1.02 -3.45 116.57 116.89 3fzr h LYS 640 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3fzr h LYS 640 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3fzr h LYS 640 CO -0.03 0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 3fzr n GLY 641 N -0.94 1.57 3.79 3.86 0.00 0.06 -5.09 105.19 108.44 3fzr n GLY 641 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3fzr n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fzr s ASP 642 N -2.00 7.24 0.15 1.61 1.01 -0.60 -4.98 116.67 119.10 3fzr s ASP 642 Ca 0.00 1.49 -0.01 0.00 0.71 0.00 0.00 52.55 54.74 3fzr s ASP 642 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 3fzr s ASP 642 CO 0.00 0.21 0.07 -0.13 0.21 0.00 0.00 175.17 175.52 3fzr s ARG 643 N -1.25 1.01 0.15 8.23 1.81 -1.26 -4.03 118.95 123.61 3fzr s ARG 643 Ca 0.34 -1.50 -0.31 0.00 -1.72 0.00 0.00 55.73 52.55 3fzr s ARG 643 Cb -0.21 0.18 -0.08 0.00 -0.45 0.00 0.00 34.95 34.38 3fzr s ARG 643 CO 0.23 -0.27 1.39 -0.51 -0.68 0.00 0.00 175.30 175.46 3fzr s LEU 644 N -3.09 4.38 0.74 2.53 1.43 -1.26 -4.98 118.68 118.43 3fzr s LEU 644 Ca 0.27 2.40 -0.16 0.00 -1.03 0.00 0.00 54.13 55.62 3fzr s LEU 644 Cb 0.07 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 3fzr s LEU 644 CO 0.04 -0.65 0.74 -0.81 0.23 0.00 0.00 176.35 175.91 3fzr n PRO 645 N 3.51 0.34 -2.03 1.29 -0.04 -1.26 -4.96 135.00 131.85 3fzr n PRO 645 Ca 0.10 0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 3fzr n PRO 645 Cb 0.42 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3fzr n PRO 645 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3fzr s LYS 646 N -3.13 3.93 -0.09 0.54 2.20 -1.26 -4.96 119.74 116.98 3fzr s LYS 646 Ca 0.69 2.18 -0.12 0.00 -0.36 0.00 0.00 55.97 58.36 3fzr s LYS 646 Cb -0.34 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.19 3fzr s LYS 646 CO 0.55 -0.53 0.28 -1.25 -0.36 0.00 0.00 175.35 174.04 3fzr s PRO 647 N -2.27 3.85 0.04 4.03 0.05 -1.26 -4.98 135.00 134.46 3fzr s PRO 647 Ca 0.57 0.13 -0.07 0.00 0.05 0.00 0.00 61.00 61.69 3fzr s PRO 647 Cb -0.38 -3.27 -0.01 0.00 0.05 0.00 0.00 34.50 30.89 3fzr s PRO 647 CO 0.49 0.60 0.35 -0.25 0.05 0.00 0.00 177.00 178.24 3fzr n ASP 648 N 2.36 -0.23 0.06 6.66 9.92 -1.26 0.14 116.55 134.20 3fzr n ASP 648 Ca -0.15 0.40 0.13 0.00 -0.53 0.00 0.00 54.79 54.64 3fzr n ASP 648 Cb 0.53 -0.06 0.50 0.00 -0.64 0.00 0.00 41.12 41.45 3fzr n ASP 648 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3fzr n LEU 649 N -4.29 0.45 -4.68 0.64 7.99 -1.26 -4.84 117.00 111.00 3fzr n LEU 649 Ca 0.01 0.54 -0.42 0.00 -0.01 0.00 0.00 56.01 56.13 3fzr n LEU 649 Cb 0.06 -0.41 -0.03 0.00 -0.11 0.00 0.00 43.42 42.94 3fzr n LEU 649 CO -0.04 -0.11 1.02 0.00 -1.51 0.00 0.00 177.39 176.75 3fzr n PRO 651 N 5.50 -2.97 -0.04 0.00 -0.02 -1.26 -4.74 135.00 131.47 3fzr n PRO 651 Ca 0.12 -1.00 -0.06 0.00 -2.02 0.00 0.00 63.50 60.54 3fzr n PRO 651 Cb 0.45 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.25 3fzr n PRO 651 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fzr n PRO 652 N -3.39 0.65 -0.19 0.52 -0.02 -1.26 -3.30 135.00 128.00 3fzr n PRO 652 Ca 0.09 0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 3fzr n PRO 652 Cb 0.41 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3fzr n PRO 652 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3fzr h VAL 653 N 0.00 1.17 -0.05 -1.45 2.07 -1.99 -2.15 116.25 113.84 3fzr h VAL 653 Ca -0.33 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3fzr h VAL 653 Cb 1.95 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3fzr h VAL 653 CO 0.05 0.17 0.01 0.25 0.02 0.00 0.00 177.57 178.07 3fzr h LEU 654 N 0.74 0.09 -2.39 2.57 5.85 -1.94 -1.81 115.31 118.42 3fzr h LEU 654 Ca 0.20 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3fzr h LEU 654 Cb -0.02 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3fzr h LEU 654 CO -0.04 0.35 -0.01 0.22 -0.34 0.00 0.00 178.44 178.62 3fzr h TYR 655 N -0.17 0.00 0.21 1.25 3.20 -1.53 0.60 116.97 120.53 3fzr h TYR 655 Ca 0.02 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.55 3fzr h TYR 655 Cb 0.30 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.59 3fzr h TYR 655 CO 0.02 0.01 -1.54 1.15 -1.64 0.00 0.00 178.16 176.16 3fzr h THR 656 N 0.00 1.20 -0.82 1.81 2.02 -1.19 -2.22 112.91 113.71 3fzr h THR 656 Ca -0.00 -2.70 -0.04 0.00 0.77 0.00 0.00 66.41 64.44 3fzr h THR 656 Cb 0.20 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 3fzr h THR 656 CO 0.00 0.83 0.38 0.25 0.37 0.00 0.00 175.52 177.35 3fzr h LEU 657 N 0.12 1.10 -0.91 2.58 5.85 -0.43 -0.94 115.31 122.68 3fzr h LEU 657 Ca -0.27 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.23 3fzr h LEU 657 Cb 2.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 3fzr h LEU 657 CO 0.23 0.94 -0.02 0.24 -0.34 0.00 0.00 178.44 179.49 3fzr h MET 658 N 1.18 0.78 -0.17 1.25 2.86 -0.95 -2.87 114.93 117.00 3fzr h MET 658 Ca 0.28 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3fzr h MET 658 Cb 0.15 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3fzr h MET 658 CO -0.03 0.80 -0.04 1.15 1.06 0.00 0.00 176.91 179.85 3fzr h THR 659 N 0.72 1.14 -0.11 2.22 2.02 -0.53 -2.65 112.91 115.72 3fzr h THR 659 Ca 0.14 -0.56 -0.19 0.00 0.77 0.00 0.00 66.41 66.57 3fzr h THR 659 Cb 0.47 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3fzr h THR 659 CO 0.02 0.18 -0.70 0.03 0.37 0.00 0.00 175.52 175.42 3fzr h ARG 660 N 0.25 0.51 0.00 6.66 3.08 -1.22 -2.66 114.38 121.00 3fzr h ARG 660 Ca 0.06 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3fzr h ARG 660 Cb 0.24 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3fzr h ARG 660 CO 0.01 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.93 3fzr n TRP 662 N -2.50 0.43 -1.58 0.00 8.01 -1.01 -3.81 117.44 116.98 3fzr n TRP 662 Ca -0.01 -0.25 -0.51 0.00 -1.31 0.00 0.00 57.50 55.42 3fzr n TRP 662 Cb 0.12 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.37 3fzr n TRP 662 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3fzr n ASP 663 N 1.26 1.43 0.12 -0.99 -0.08 -0.85 -4.86 116.55 112.59 3fzr n ASP 663 Ca 0.17 1.13 0.05 0.00 -1.51 0.00 0.00 54.79 54.63 3fzr n ASP 663 Cb 0.54 -1.18 0.50 0.00 2.34 0.00 0.00 41.12 43.32 3fzr n ASP 663 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3fzr h TYR 664 N 4.06 0.26 -3.32 -0.67 3.20 -1.93 -3.38 116.97 115.20 3fzr h TYR 664 Ca -0.46 -0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.80 3fzr h TYR 664 Cb 1.34 -0.09 -0.12 0.00 1.54 0.00 0.00 36.73 39.41 3fzr h TYR 664 CO 0.58 0.21 0.59 0.34 -1.64 0.00 0.00 178.16 178.24 3fzr s ASP 665 N -6.87 6.38 0.24 -2.11 3.68 -1.26 -4.95 116.67 111.78 3fzr s ASP 665 Ca -0.06 -0.22 -0.12 0.00 2.13 0.00 0.00 52.55 54.28 3fzr s ASP 665 Cb 0.17 -2.44 0.32 0.00 -1.45 0.00 0.00 42.92 39.51 3fzr s ASP 665 CO 0.71 -1.19 1.58 -0.65 0.13 0.00 0.00 175.17 175.75 3fzr h PRO 666 N 9.26 -0.02 0.00 4.34 0.11 -1.95 0.66 132.00 144.41 3fzr h PRO 666 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fzr h PRO 666 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fzr h PRO 666 CO 1.08 -0.01 0.08 0.66 -0.21 0.00 0.00 178.00 179.60 3fzr h SER 667 N -0.02 0.00 0.71 -2.05 4.64 -1.94 -1.83 113.55 113.06 3fzr h SER 667 Ca 0.38 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.44 3fzr h SER 667 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3fzr h SER 667 CO -0.86 0.00 -1.29 0.44 -0.87 0.00 0.00 176.83 174.25 3fzr h ASP 668 N 0.00 0.17 -4.13 4.97 3.32 -0.03 -3.47 116.42 117.26 3fzr h ASP 668 Ca 0.00 -0.22 -0.52 0.00 0.02 0.00 0.00 57.03 56.32 3fzr h ASP 668 Cb 0.17 -0.06 0.10 0.00 0.22 0.00 0.00 39.33 39.77 3fzr h ASP 668 CO 0.00 1.18 0.43 -0.13 -1.72 0.00 0.00 179.24 179.00 3fzr s ARG 669 N -2.66 2.93 0.59 3.56 0.52 -0.69 -4.94 118.95 118.26 3fzr s ARG 669 Ca -0.03 1.66 -0.19 0.00 -0.52 0.00 0.00 55.73 56.65 3fzr s ARG 669 Cb 0.08 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 3fzr s ARG 669 CO 0.84 -1.20 1.21 -2.14 0.02 0.00 0.00 175.30 174.03 3fzr s PRO 670 N -3.56 2.97 0.54 3.54 0.02 -1.26 -5.00 135.00 132.24 3fzr s PRO 670 Ca 0.73 1.82 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 3fzr s PRO 670 Cb -0.26 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 3fzr s PRO 670 CO 0.35 -1.21 0.85 1.03 -0.33 0.00 0.00 177.00 177.69 3fzr s ARG 671 N -3.34 3.27 0.15 5.54 1.81 -1.26 -4.92 118.95 120.20 3fzr s ARG 671 Ca 0.77 0.13 -0.17 0.00 -1.72 0.00 0.00 55.73 54.74 3fzr s ARG 671 Cb -0.30 -2.32 0.06 0.00 -0.45 0.00 0.00 34.95 31.94 3fzr s ARG 671 CO 0.33 -0.44 1.71 0.74 -0.68 0.00 0.00 175.30 176.96 3fzr h PHE 672 N 0.02 -0.01 -1.08 -0.53 0.04 -1.96 -0.82 116.94 112.61 3fzr h PHE 672 Ca -0.46 0.02 0.37 0.00 2.80 0.00 0.00 57.97 60.71 3fzr h PHE 672 Cb 1.23 0.06 -0.15 0.00 2.20 0.00 0.00 35.95 39.28 3fzr h PHE 672 CO 0.54 -0.06 0.63 1.79 -0.60 0.00 0.00 178.31 180.61 3fzr h THR 673 N 0.10 0.18 0.18 -1.55 1.35 -1.93 0.14 112.91 111.38 3fzr h THR 673 Ca 0.16 -0.06 -0.32 0.00 -0.55 0.00 0.00 66.41 65.64 3fzr h THR 673 Cb 0.21 -0.01 0.03 0.00 -1.73 0.00 0.00 68.15 66.65 3fzr h THR 673 CO -0.26 0.03 -1.35 -0.08 -0.25 0.00 0.00 175.52 173.61 3fzr h GLU 674 N 0.18 0.59 -0.50 4.72 4.81 -1.55 -3.17 114.58 119.66 3fzr h GLU 674 Ca 0.78 -0.88 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 3fzr h GLU 674 Cb 2.04 0.31 -0.02 0.00 0.63 0.00 0.00 28.75 31.70 3fzr h GLU 674 CO -0.60 1.41 0.08 -0.07 -0.73 0.00 0.00 179.01 179.11 3fzr h LEU 675 N 0.22 0.74 -2.15 1.64 3.38 -0.26 -1.37 115.31 117.51 3fzr h LEU 675 Ca -0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3fzr h LEU 675 Cb 2.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 3fzr h LEU 675 CO 0.26 0.75 -0.02 0.58 0.09 0.00 0.00 178.44 180.10 3fzr h VAL 676 N 0.75 0.10 0.02 1.22 2.07 -0.88 0.02 116.25 119.55 3fzr h VAL 676 Ca 0.16 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 3fzr h VAL 676 Cb 0.34 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3fzr h VAL 676 CO 0.01 0.02 -1.03 0.00 0.02 0.00 0.00 177.57 176.58 3fzr h SER 678 N -0.89 0.04 -0.67 0.00 0.02 -1.07 -2.07 113.55 108.92 3fzr h SER 678 Ca -0.27 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 3fzr h SER 678 Cb 1.31 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 3fzr h SER 678 CO -0.13 0.26 0.16 -0.07 -1.14 0.00 0.00 176.83 175.91 3fzr h LEU 679 N -0.17 1.03 -2.29 5.07 3.38 -1.20 0.06 115.31 121.19 3fzr h LEU 679 Ca 0.01 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3fzr h LEU 679 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3fzr h LEU 679 CO 0.00 0.99 0.19 -1.28 0.09 0.00 0.00 178.44 178.43 3fzr h SER 680 N 1.03 0.00 0.00 -0.43 0.87 -1.37 -1.05 113.55 112.60 3fzr h SER 680 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3fzr h SER 680 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3fzr h SER 680 CO 0.00 0.00 -0.36 0.44 -0.53 0.00 0.00 176.83 176.38 3fzr h ASP 681 N 0.00 0.00 0.00 6.23 3.32 -0.49 -3.05 116.42 122.42 3fzr h ASP 681 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fzr h ASP 681 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3fzr h ASP 681 CO -0.00 0.68 0.44 0.58 -1.72 0.00 0.00 179.24 179.21 3fzr h VAL 682 N -0.99 0.00 0.00 -1.35 2.07 -0.83 0.97 116.25 116.13 3fzr h VAL 682 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 3fzr h VAL 682 Cb 0.36 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3fzr h VAL 682 CO 0.00 0.00 -2.29 0.00 0.02 0.00 0.00 177.57 175.30 3fzr n TYR 683 N -2.17 0.00 0.34 1.57 9.36 -0.42 -3.12 117.16 122.72 3fzr n TYR 683 Ca -0.01 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.36 3fzr n TYR 683 Cb 0.46 -0.87 0.57 0.00 -0.63 0.00 0.00 39.34 38.86 3fzr n TYR 683 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3fzr h GLN 684 N 0.00 0.00 0.23 2.98 5.75 -1.26 -1.29 115.11 121.52 3fzr h GLN 684 Ca -0.51 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 57.66 3fzr h GLN 684 Cb 1.79 0.00 0.03 0.00 1.07 0.00 0.00 27.48 30.37 3fzr h GLN 684 CO -0.08 0.00 -1.48 0.52 -2.65 0.00 0.00 178.83 175.15 3fzr h MET 685 N 0.00 0.49 0.00 1.69 2.86 -1.01 -2.89 114.93 116.07 3fzr h MET 685 Ca 0.00 -0.83 -0.02 0.00 -2.06 0.00 0.00 59.70 56.79 3fzr h MET 685 Cb 0.49 0.31 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3fzr h MET 685 CO 0.00 1.40 -0.08 0.93 1.06 0.00 0.00 176.91 180.22 3fzr h GLU 686 N 0.13 0.00 0.00 1.72 4.39 -1.25 0.32 114.58 119.89 3fzr h GLU 686 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3fzr h GLU 686 Cb 2.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.79 3fzr h GLU 686 CO 0.26 0.08 -0.76 0.36 -1.16 0.00 0.00 179.01 177.79 3fzr n LYS 687 N -3.72 0.11 -0.00 2.33 2.85 -0.58 -3.29 118.16 115.86 3fzr n LYS 687 Ca -0.02 0.01 -0.01 0.00 -1.05 0.00 0.00 58.31 57.23 3fzr n LYS 687 Cb 0.18 -1.54 -0.01 0.00 -0.65 0.00 0.00 35.03 33.01 3fzr n LYS 687 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3fzr h ASP 688 N 0.00 -0.08 0.00 -5.58 5.19 -0.38 -3.26 116.42 112.31 3fzr h ASP 688 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fzr h ASP 688 Cb 0.59 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3fzr h ASP 688 CO 0.00 0.33 0.15 0.00 -3.12 0.00 0.00 179.24 176.60 3fzr n ILE 689 N -4.40 1.15 -2.79 0.35 3.06 0.80 -4.12 119.36 113.41 3fzr n ILE 689 Ca -0.01 0.44 -0.43 0.00 -2.50 0.00 0.00 62.75 60.25 3fzr n ILE 689 Cb 0.04 -1.44 -0.04 0.00 0.54 0.00 0.00 39.64 38.74 3fzr n ILE 689 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fzr s ALA 690 N -2.54 3.05 0.00 1.51 0.00 -1.21 -5.08 121.76 117.50 3fzr s ALA 690 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3fzr s ALA 690 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3fzr s ALA 690 CO 0.00 -2.80 0.00 -1.33 0.00 0.00 0.00 175.76 171.63