#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nye n THR 412 N 0.00 -4.24 0.00 4.28 -1.04 -1.26 -4.72 114.28 107.31 1nye n THR 412 Ca 0.00 0.65 0.00 0.00 -2.04 0.00 0.00 64.05 62.66 1nye n THR 412 Cb 0.00 -2.99 0.00 0.00 -1.82 0.00 0.00 70.33 65.52 1nye n THR 412 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1nye n GLU 413 N 0.36 0.00 -1.25 -2.82 0.00 -1.26 -4.13 120.64 111.54 1nye n GLU 413 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 1nye n GLU 413 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 31.44 31.60 1nye n GLU 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1nye s ASN 414 N 0.00 2.90 0.00 4.31 4.22 -1.26 -4.71 114.94 120.40 1nye s ASN 414 Ca 0.00 1.17 0.00 0.00 -2.14 0.00 0.00 52.86 51.89 1nye s ASN 414 Cb 0.00 -1.82 0.00 0.00 1.28 0.00 0.00 41.25 40.71 1nye s ASN 414 CO 0.00 -2.96 0.00 0.18 -2.04 0.00 0.00 177.10 172.28 1nye n LEU 415 N -4.06 0.00 -1.47 3.54 4.77 -1.26 -4.93 117.00 113.59 1nye n LEU 415 Ca 0.06 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1nye n LEU 415 Cb 0.57 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.98 1nye n LEU 415 CO 0.57 0.00 0.84 -1.22 -1.33 0.00 0.00 177.39 176.25 1nye n TYR 416 N 0.00 1.66 -0.32 -1.77 4.01 -1.26 -4.08 117.16 115.39 1nye n TYR 416 Ca 0.00 -0.97 0.09 0.00 -0.16 0.00 0.00 57.90 56.86 1nye n TYR 416 Cb 0.00 -0.48 0.32 0.00 -0.31 0.00 0.00 39.34 38.87 1nye n TYR 416 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1nye n PHE 417 N -0.14 1.26 -1.17 -0.72 3.72 -1.26 -4.15 117.46 115.00 1nye n PHE 417 Ca 0.29 -0.52 0.05 0.00 -0.05 0.00 0.00 57.45 57.22 1nye n PHE 417 Cb 1.12 -0.19 0.21 0.00 -0.94 0.00 0.00 39.48 39.68 1nye n PHE 417 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nye n GLN 418 N 1.07 2.17 -4.70 -1.08 6.02 -1.26 -5.01 117.38 114.59 1nye n GLN 418 Ca 0.23 -2.91 -0.28 0.00 -0.01 0.00 0.00 57.00 54.03 1nye n GLN 418 Cb 0.77 -1.75 -0.14 0.00 1.02 0.00 0.00 30.24 30.14 1nye n GLN 418 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1nye s GLY 419 N -2.40 1.33 0.00 1.08 0.00 -1.26 -5.05 107.32 101.02 1nye s GLY 419 Ca 0.40 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1nye s GLY 419 CO 0.04 -1.15 0.00 1.42 0.00 0.00 0.00 173.10 173.41 1nye n HIS 420 N 1.62 0.00 -0.04 1.90 8.25 -1.26 -4.93 115.22 120.75 1nye n HIS 420 Ca -0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.29 1nye n HIS 420 Cb 0.53 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 1nye n HIS 420 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1nye n MET 421 N 6.87 -0.09 0.00 -0.41 0.00 -1.26 -5.14 117.12 117.09 1nye n MET 421 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1nye n MET 421 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.11 1nye n MET 421 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nye n THR 422 N -1.17 0.00 -4.10 1.12 5.66 -1.26 -5.18 114.28 109.35 1nye n THR 422 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1nye n THR 422 Cb 0.02 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.72 1nye n THR 422 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1nye s ILE 423 N 0.00 4.90 -0.12 1.09 1.01 -1.26 -5.08 121.20 121.73 1nye s ILE 423 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1nye s ILE 423 Cb 0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1nye s ILE 423 CO 0.00 0.58 -0.04 -1.00 0.00 0.00 0.00 174.94 174.48 1nye s HIS 424 N -0.71 3.02 -0.01 3.97 3.76 -1.26 -5.10 115.29 118.95 1nye s HIS 424 Ca 0.12 -0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 54.88 1nye s HIS 424 Cb -0.12 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1nye s HIS 424 CO 0.03 0.13 0.03 0.15 -0.85 0.00 0.00 174.74 174.23 1nye s LYS 425 N -0.12 0.02 0.18 1.40 3.01 -1.26 -5.17 119.74 117.80 1nye s LYS 425 Ca 0.02 0.08 0.10 0.00 -1.01 0.00 0.00 55.97 55.16 1nye s LYS 425 Cb -0.13 -0.04 -0.04 0.00 -1.01 0.00 0.00 37.83 36.61 1nye s LYS 425 CO 0.02 -0.04 -0.20 0.15 0.51 0.00 0.00 175.35 175.80 1nye s LYS 426 N 0.25 1.37 0.16 1.68 1.02 -1.26 -5.11 119.74 117.85 1nye s LYS 426 Ca -0.02 -1.47 0.05 0.00 0.02 0.00 0.00 55.97 54.55 1nye s LYS 426 Cb -0.03 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 1nye s LYS 426 CO -0.01 0.31 -0.09 0.20 -0.92 0.00 0.00 175.35 174.84 1nye s GLY 427 N -2.73 1.16 0.03 -3.33 0.00 -1.26 -2.88 107.32 98.31 1nye s GLY 427 Ca 0.18 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1nye s GLY 427 CO 0.08 -1.62 -0.00 1.62 0.00 0.00 0.00 173.10 173.18 1nye s GLN 428 N -3.75 0.47 -0.14 2.90 0.74 -1.04 -4.98 119.66 113.85 1nye s GLN 428 Ca 0.19 -0.84 -0.14 0.00 0.05 0.00 0.00 55.36 54.62 1nye s GLN 428 Cb 0.03 0.17 0.04 0.00 1.10 0.00 0.00 33.01 34.34 1nye s GLN 428 CO 0.02 -0.09 0.39 0.00 -0.55 0.00 0.00 175.29 175.06 1nye s ALA 429 N -2.51 -0.96 0.16 1.58 0.00 -1.26 -0.67 121.76 118.11 1nye s ALA 429 Ca -0.06 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.09 1nye s ALA 429 Cb -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1nye s ALA 429 CO -0.05 -0.19 -0.25 -1.58 0.00 0.00 0.00 175.76 173.70 1nye s HIS 430 N 0.17 2.25 -0.05 0.00 2.46 0.11 -4.94 115.29 115.30 1nye s HIS 430 Ca -0.00 -0.38 -0.21 0.00 0.47 0.00 0.00 55.06 54.95 1nye s HIS 430 Cb -0.03 -1.16 0.04 0.00 -0.13 0.00 0.00 32.58 31.31 1nye s HIS 430 CO 0.01 0.42 0.46 -0.46 -2.47 0.00 0.00 174.74 172.69 1nye s TRP 431 N -1.45 -0.39 0.02 3.88 -0.11 -1.26 -0.89 118.94 118.74 1nye s TRP 431 Ca 0.17 0.70 0.01 0.00 1.22 0.00 0.00 56.10 58.20 1nye s TRP 431 Cb -0.09 0.21 -0.01 0.00 -1.50 0.00 0.00 33.47 32.08 1nye s TRP 431 CO 0.08 -0.45 -0.04 -1.21 -4.62 0.00 0.00 176.95 170.71 1nye s GLU 432 N -1.06 0.34 1.31 5.86 2.02 0.54 -4.97 118.70 122.74 1nye s GLU 432 Ca -0.11 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1nye s GLU 432 Cb -0.03 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1nye s GLU 432 CO 0.06 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1nye n GLY 433 N 2.18 0.71 2.26 -1.39 0.00 -1.26 -2.72 105.19 104.97 1nye n GLY 433 Ca -0.19 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1nye n GLY 433 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nye n ASP 434 N -3.57 -2.30 -0.06 1.61 -0.08 -1.26 -4.57 116.55 106.31 1nye n ASP 434 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.27 1nye n ASP 434 Cb 0.00 -0.38 -0.01 0.00 2.34 0.00 0.00 41.12 43.07 1nye n ASP 434 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nye h ILE 435 N -0.75 0.03 0.00 5.18 5.03 -1.92 -2.34 117.51 122.73 1nye h ILE 435 Ca -0.29 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.42 1nye h ILE 435 Cb 1.06 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1nye h ILE 435 CO 0.16 0.01 -0.30 0.50 -0.68 0.00 0.00 178.15 177.84 1nye h LYS 436 N -1.00 0.00 0.00 2.37 3.11 -1.99 -3.33 116.57 115.73 1nye h LYS 436 Ca -0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1nye h LYS 436 Cb 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1nye h LYS 436 CO -0.00 0.00 -1.85 -2.13 -2.81 0.00 0.00 179.45 172.66 1nye n ARG 437 N -2.33 0.68 -1.45 1.90 3.00 -1.26 -4.81 116.66 112.40 1nye n ARG 437 Ca 0.04 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.85 57.46 1nye n ARG 437 Cb 0.45 -1.41 0.10 0.00 0.00 0.00 0.00 32.46 31.61 1nye n ARG 437 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nye s GLY 438 N -4.18 1.62 0.26 5.14 0.00 -0.88 -4.84 107.32 104.44 1nye s GLY 438 Ca -0.07 -0.16 0.10 0.00 0.00 0.00 0.00 44.72 44.60 1nye s GLY 438 CO 0.71 0.29 -0.07 0.54 0.00 0.00 0.00 173.10 174.56 1nye s LYS 439 N -5.09 2.08 0.08 2.90 -0.14 -1.10 -4.70 119.74 113.76 1nye s LYS 439 Ca 0.62 -1.52 -0.26 0.00 -1.36 0.00 0.00 55.97 53.45 1nye s LYS 439 Cb -0.15 -2.04 0.07 0.00 -1.68 0.00 0.00 37.83 34.03 1nye s LYS 439 CO 0.55 0.36 0.66 0.20 -0.76 0.00 0.00 175.35 176.36 1nye s GLY 440 N -3.55 -0.59 0.04 -3.33 0.00 -1.16 -0.34 107.32 98.38 1nye s GLY 440 Ca 0.30 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1nye s GLY 440 CO 0.18 0.42 -0.07 -0.51 0.00 0.00 0.00 173.10 173.12 1nye s THR 441 N -2.91 0.50 -0.06 0.90 -4.23 -0.06 -1.43 115.64 108.35 1nye s THR 441 Ca -0.02 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1nye s THR 441 Cb -0.01 -0.56 -0.00 0.00 1.34 0.00 0.00 72.50 73.27 1nye s THR 441 CO -0.06 -0.32 -0.20 0.68 -0.54 0.00 0.00 174.62 174.18 1nye s VAL 442 N -1.22 1.72 0.43 2.29 -7.23 0.11 0.10 120.40 116.60 1nye s VAL 442 Ca -0.09 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1nye s VAL 442 Cb -0.09 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 1nye s VAL 442 CO 0.00 0.48 0.11 -1.20 -0.31 0.00 0.00 175.10 174.19 1nye n SER 443 N 3.21 1.71 -4.11 4.85 7.64 0.16 -2.47 113.62 124.60 1nye n SER 443 Ca -0.18 -3.18 -0.10 0.00 1.01 0.00 0.00 58.87 56.41 1nye n SER 443 Cb 0.52 0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 1nye n SER 443 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nye s THR 444 N -3.03 0.50 -0.17 0.44 2.01 -0.01 -2.50 115.64 112.88 1nye s THR 444 Ca 0.16 -1.59 0.23 0.00 0.31 0.00 0.00 61.69 60.79 1nye s THR 444 Cb 0.01 -1.24 0.25 0.00 0.01 0.00 0.00 72.50 71.53 1nye s THR 444 CO 0.11 -0.74 1.66 1.05 -0.69 0.00 0.00 174.62 176.01 1nye h GLU 445 N 3.55 0.00 -0.00 4.92 4.11 -1.86 -2.85 114.58 122.45 1nye h GLU 445 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1nye h GLU 445 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1nye h GLU 445 CO 0.57 0.18 -0.00 -1.13 0.07 0.00 0.00 179.01 178.70 1nye n SER 446 N -3.19 0.01 0.00 3.06 3.41 -1.26 -4.90 113.62 110.74 1nye n SER 446 Ca 0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1nye n SER 446 Cb 0.53 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1nye n SER 446 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nye n GLY 447 N 1.31 2.44 0.34 5.00 0.00 -1.08 -4.89 105.19 108.31 1nye n GLY 447 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 1nye n GLY 447 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nye h VAL 448 N 0.00 0.02 -3.20 1.61 2.07 -1.91 -3.21 116.25 111.63 1nye h VAL 448 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 1nye h VAL 448 Cb 0.00 0.81 -0.40 0.00 -1.52 0.00 0.00 31.29 30.18 1nye h VAL 448 CO 0.00 0.00 -0.76 -0.76 0.02 0.00 0.00 177.57 176.07 1nye s LEU 449 N -6.00 2.12 -0.02 2.57 1.43 -1.26 -4.99 118.68 112.52 1nye s LEU 449 Ca -0.04 -1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 51.45 1nye s LEU 449 Cb 0.11 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.41 1nye s LEU 449 CO 0.34 -0.39 0.62 -1.13 0.23 0.00 0.00 176.35 176.02 1nye h ASN 450 N 8.10 -0.36 -0.05 2.29 -0.73 -1.78 0.01 115.58 123.05 1nye h ASN 450 Ca -0.14 0.01 -0.17 0.00 1.87 0.00 0.00 56.30 57.87 1nye h ASN 450 Cb 1.03 0.09 -0.19 0.00 0.27 0.00 0.00 38.32 39.53 1nye h ASN 450 CO 0.45 -0.06 -0.42 0.00 -0.37 0.00 0.00 177.43 177.03 1nye n GLN 451 N -4.24 0.99 -1.60 6.67 6.02 -1.25 -4.39 117.38 119.57 1nye n GLN 451 Ca -0.05 -1.48 -0.54 0.00 -0.01 0.00 0.00 57.00 54.92 1nye n GLN 451 Cb 0.17 0.17 -0.06 0.00 1.02 0.00 0.00 30.24 31.54 1nye n GLN 451 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nye n GLN 452 N -0.93 0.99 -2.83 -1.09 1.13 -1.03 -4.33 117.38 109.28 1nye n GLN 452 Ca -0.16 0.36 -0.37 0.00 -1.94 0.00 0.00 57.00 54.89 1nye n GLN 452 Cb 0.84 -1.99 -0.06 0.00 0.11 0.00 0.00 30.24 29.14 1nye n GLN 452 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nye s PRO 453 N 0.91 4.54 0.10 -1.09 0.04 -1.26 0.07 135.00 138.31 1nye s PRO 453 Ca 0.88 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 1nye s PRO 453 Cb -1.02 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 1nye s PRO 453 CO 0.51 0.31 0.10 1.52 0.04 0.00 0.00 177.00 179.48 1nye s TYR 454 N -1.59 0.47 0.03 0.56 1.13 -0.52 -4.19 117.35 113.24 1nye s TYR 454 Ca 0.49 -0.92 -0.03 0.00 -1.41 0.00 0.00 57.07 55.20 1nye s TYR 454 Cb -0.19 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1nye s TYR 454 CO 0.24 -0.52 0.14 0.41 -2.51 0.00 0.00 175.55 173.31 1nye n GLY 455 N -0.04 1.24 0.28 5.49 0.00 -1.26 -3.00 105.19 107.91 1nye n GLY 455 Ca -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 44.96 1nye n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nye h PHE 456 N 1.13 0.53 -0.71 1.61 3.04 -1.84 -2.37 116.94 118.33 1nye h PHE 456 Ca -0.04 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 1nye h PHE 456 Cb 0.16 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1nye h PHE 456 CO 0.00 0.47 0.24 -2.95 -2.02 0.00 0.00 178.31 174.05 1nye h ASN 457 N 0.52 1.03 1.11 0.41 -0.00 -1.92 -0.12 115.58 116.60 1nye h ASN 457 Ca 0.12 -0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 1nye h ASN 457 Cb 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 1nye h ASN 457 CO -0.00 0.95 -0.42 0.71 -0.00 0.00 0.00 177.43 178.67 1nye h THR 458 N 1.04 0.00 0.09 6.14 1.35 -1.67 -1.28 112.91 118.58 1nye h THR 458 Ca 0.23 -0.53 -0.36 0.00 -0.55 0.00 0.00 66.41 65.20 1nye h THR 458 Cb 0.28 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 1nye h THR 458 CO -0.01 0.00 -2.01 -1.14 -0.25 0.00 0.00 175.52 172.11 1nye n ARG 459 N -2.23 0.72 -0.00 4.72 3.00 -0.90 -4.34 116.66 117.63 1nye n ARG 459 Ca 0.04 0.28 0.01 0.00 -0.00 0.00 0.00 57.85 58.18 1nye n ARG 459 Cb 0.45 -1.68 0.01 0.00 0.00 0.00 0.00 32.46 31.24 1nye n ARG 459 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1nye n PHE 460 N -3.58 0.01 -2.84 -0.14 3.72 -0.08 -4.77 117.46 109.79 1nye n PHE 460 Ca -0.35 -0.04 -0.12 0.00 -0.05 0.00 0.00 57.45 56.89 1nye n PHE 460 Cb 1.00 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.55 1nye n PHE 460 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1nye n GLU 461 N 0.13 1.08 -0.74 -1.08 0.28 -1.05 -5.01 120.64 114.25 1nye n GLU 461 Ca 0.02 -3.22 0.00 0.00 -0.16 0.00 0.00 57.16 53.80 1nye n GLU 461 Cb 0.09 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1nye n GLU 461 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nye n GLY 462 N 0.04 -0.06 3.70 -1.84 0.00 -1.23 -4.70 105.19 101.10 1nye n GLY 462 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1nye n GLY 462 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nye s GLU 463 N -1.38 4.21 0.07 1.61 2.56 -0.51 -4.87 118.70 120.39 1nye s GLU 463 Ca 0.00 2.32 -0.34 0.00 0.00 0.00 0.00 54.97 56.95 1nye s GLU 463 Cb 0.00 -3.43 -0.13 0.00 2.00 0.00 0.00 34.13 32.56 1nye s GLU 463 CO 0.00 -0.67 1.65 1.17 -0.56 0.00 0.00 175.26 176.85 1nye n LYS 464 N 4.97 2.06 0.00 4.30 4.81 -1.26 -4.08 118.16 128.96 1nye n LYS 464 Ca 0.15 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1nye n LYS 464 Cb 0.40 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1nye n LYS 464 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nye n GLY 465 N 3.66 2.84 3.53 3.14 0.00 -1.26 -4.91 105.19 112.18 1nye n GLY 465 Ca 0.19 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 1nye n GLY 465 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nye s THR 466 N -2.00 2.03 -0.18 2.61 2.01 -1.26 -4.93 115.64 113.92 1nye s THR 466 Ca 0.00 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 1nye s THR 466 Cb 0.00 -2.04 0.14 0.00 0.01 0.00 0.00 72.50 70.61 1nye s THR 466 CO 0.00 -0.01 1.14 0.54 -0.69 0.00 0.00 174.62 175.60 1nye s ASN 467 N -2.53 -0.21 0.21 3.53 4.22 -1.26 -4.70 114.94 114.20 1nye s ASN 467 Ca 0.68 0.13 -0.12 0.00 -2.14 0.00 0.00 52.86 51.41 1nye s ASN 467 Cb -0.25 0.19 0.26 0.00 1.28 0.00 0.00 41.25 42.73 1nye s ASN 467 CO 0.63 -0.26 1.64 -0.65 -2.04 0.00 0.00 177.10 176.42 1nye h PRO 468 N 2.19 0.05 -0.39 3.55 0.11 -1.97 -2.46 132.00 133.08 1nye h PRO 468 Ca -0.13 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.04 1nye h PRO 468 Cb 1.18 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1nye h PRO 468 CO 0.26 0.03 0.01 0.93 -0.21 0.00 0.00 178.00 179.02 1nye h GLU 469 N 0.05 0.12 -0.63 1.05 3.07 -1.97 -0.83 114.58 115.44 1nye h GLU 469 Ca 0.31 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1nye h GLU 469 Cb 0.49 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1nye h GLU 469 CO -0.58 0.08 0.38 1.49 -1.40 0.00 0.00 179.01 178.97 1nye h GLU 470 N 0.12 0.72 -0.33 2.33 4.81 -1.84 0.14 114.58 120.52 1nye h GLU 470 Ca 0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1nye h GLU 470 Cb 0.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1nye h GLU 470 CO -0.30 0.47 0.14 -0.07 -0.73 0.00 0.00 179.01 178.52 1nye h LEU 471 N 0.74 0.46 -0.45 1.64 4.07 -1.01 -1.12 115.31 119.64 1nye h LEU 471 Ca 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1nye h LEU 471 Cb 0.05 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1nye h LEU 471 CO -0.12 0.50 0.25 0.40 -1.08 0.00 0.00 178.44 178.39 1nye h ILE 472 N 0.39 1.16 -0.61 1.22 2.04 -0.84 -1.15 117.51 119.72 1nye h ILE 472 Ca 0.11 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.66 1nye h ILE 472 Cb 0.18 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1nye h ILE 472 CO -0.01 0.17 0.20 1.23 0.00 0.00 0.00 178.15 179.74 1nye h GLY 473 N 0.59 0.84 0.89 5.37 0.00 -0.63 0.86 103.07 110.99 1nye h GLY 473 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1nye h GLY 473 CO -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 176.54 176.54 1nye h ALA 474 N 1.44 0.22 -0.42 3.60 0.00 -0.79 0.62 119.26 123.93 1nye h ALA 474 Ca 0.31 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1nye h ALA 474 Cb 0.41 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nye h ALA 474 CO -0.34 -0.20 0.13 0.00 0.00 0.00 0.00 179.25 178.84 1nye h ALA 475 N 0.92 0.49 -0.01 0.00 0.00 -0.58 0.66 119.26 120.74 1nye h ALA 475 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nye h ALA 475 Cb 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nye h ALA 475 CO -0.01 -0.27 0.00 1.25 0.00 0.00 0.00 179.25 180.23 1nye h HIS 476 N 0.28 0.01 0.01 0.00 6.17 -0.56 0.16 115.15 121.22 1nye h HIS 476 Ca 0.20 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.30 1nye h HIS 476 Cb 0.21 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.11 1nye h HIS 476 CO -0.17 0.07 -0.12 0.00 0.71 0.00 0.00 177.93 178.42 1nye h ALA 477 N 0.94 -0.15 -0.05 5.26 0.00 -0.52 -0.38 119.26 124.37 1nye h ALA 477 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nye h ALA 477 Cb 0.06 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1nye h ALA 477 CO -0.00 -0.62 -0.47 0.00 0.00 0.00 0.00 179.25 178.17 1nye h ALA 478 N 0.74 -0.75 0.17 0.00 0.00 -0.65 -0.06 119.26 118.71 1nye h ALA 478 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nye h ALA 478 Cb 0.26 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nye h ALA 478 CO -0.11 -1.01 -0.25 0.00 0.00 0.00 0.00 179.25 177.88 1nye h PHE 480 N -0.44 0.13 -0.56 0.00 3.04 -0.88 0.22 116.94 118.44 1nye h PHE 480 Ca -0.02 0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1nye h PHE 480 Cb 0.40 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 1nye h PHE 480 CO -0.24 -0.36 0.37 0.77 -2.02 0.00 0.00 178.31 176.82 1nye h SER 481 N 0.07 0.65 0.55 0.41 0.02 -0.64 0.12 113.55 114.72 1nye h SER 481 Ca 0.59 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.50 1nye h SER 481 Cb 1.25 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.63 1nye h SER 481 CO -0.82 0.47 -0.26 -0.03 -1.14 0.00 0.00 176.83 175.05 1nye h MET 482 N 0.77 -0.71 -0.67 3.45 1.85 -0.12 -1.87 114.93 117.64 1nye h MET 482 Ca 0.21 0.05 0.14 0.00 -0.61 0.00 0.00 59.70 59.49 1nye h MET 482 Cb -0.09 0.16 -0.10 0.00 0.43 0.00 0.00 31.60 32.00 1nye h MET 482 CO -0.04 -0.43 0.09 0.00 -0.40 0.00 0.00 176.91 176.13 1nye h ALA 483 N -0.45 0.77 0.44 0.39 0.00 -0.93 -0.03 119.26 119.45 1nye h ALA 483 Ca -0.07 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nye h ALA 483 Cb 0.61 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nye h ALA 483 CO 0.12 -0.36 -0.44 1.25 0.00 0.00 0.00 179.25 179.82 1nye h LEU 484 N 0.20 -1.21 -0.92 0.00 5.85 -0.58 0.12 115.31 118.77 1nye h LEU 484 Ca 0.36 0.10 0.24 0.00 0.84 0.00 0.00 57.88 59.42 1nye h LEU 484 Cb 0.60 0.40 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 1nye h LEU 484 CO -0.51 -0.60 0.41 -1.28 -0.34 0.00 0.00 178.44 176.12 1nye h SER 485 N -0.90 0.33 0.19 1.25 0.87 -0.47 0.20 113.55 115.02 1nye h SER 485 Ca -0.04 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1nye h SER 485 Cb 0.79 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1nye h SER 485 CO -0.07 -0.04 -0.09 0.25 -0.53 0.00 0.00 176.83 176.35 1nye h LEU 486 N 0.37 -0.22 -0.82 2.23 7.12 0.11 -1.13 115.31 122.97 1nye h LEU 486 Ca 0.59 -0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.66 1nye h LEU 486 Cb 1.17 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 41.29 1nye h LEU 486 CO -0.56 -0.13 0.49 0.24 -0.13 0.00 0.00 178.44 178.35 1nye h MET 487 N -0.29 0.83 -0.13 1.25 2.86 0.11 0.03 114.93 119.59 1nye h MET 487 Ca -0.03 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1nye h MET 487 Cb 0.22 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1nye h MET 487 CO 0.04 0.55 -0.22 -0.07 1.06 0.00 0.00 176.91 178.27 1nye h LEU 488 N 0.85 0.22 -0.46 1.22 3.38 -0.98 -2.71 115.31 116.84 1nye h LEU 488 Ca 0.38 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1nye h LEU 488 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1nye h LEU 488 CO -0.21 0.45 0.18 1.23 0.09 0.00 0.00 178.44 180.19 1nye h GLY 489 N 0.90 0.73 1.67 0.83 0.00 0.29 -0.19 103.07 107.30 1nye h GLY 489 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1nye h GLY 489 CO 0.03 0.37 0.00 1.18 0.00 0.00 0.00 176.54 178.13 1nye n GLU 490 N -4.60 0.20 -0.02 4.80 1.02 -0.82 -2.11 120.64 119.10 1nye n GLU 490 Ca 0.01 0.14 -0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1nye n GLU 490 Cb 0.15 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 1nye n GLU 490 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nye n ALA 491 N -1.33 2.04 0.00 0.62 0.00 -0.48 -4.98 120.51 116.38 1nye n ALA 491 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1nye n ALA 491 Cb 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1nye n ALA 491 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 492 N 1.47 0.92 3.80 0.00 0.00 -0.53 -5.09 105.19 105.75 1nye n GLY 492 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1nye n GLY 492 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 493 N -2.00 3.09 -0.20 1.61 0.08 -0.21 -4.99 117.98 115.37 1nye s PHE 493 Ca 0.00 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 1nye s PHE 493 Cb 0.00 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1nye s PHE 493 CO 0.00 0.53 0.02 0.99 -0.10 0.00 0.00 175.22 176.66 1nye s THR 494 N -2.00 0.66 0.19 0.64 2.01 -1.26 -3.10 115.64 112.78 1nye s THR 494 Ca 0.32 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 1nye s THR 494 Cb -0.09 -1.14 -0.11 0.00 0.01 0.00 0.00 72.50 71.18 1nye s THR 494 CO 0.24 -0.19 1.60 -2.16 -0.69 0.00 0.00 174.62 173.41 1nye s PRO 495 N 1.79 4.19 0.44 4.92 0.04 -1.26 -4.65 135.00 140.47 1nye s PRO 495 Ca -0.02 2.43 0.24 0.00 0.04 0.00 0.00 61.00 63.69 1nye s PRO 495 Cb -0.17 -3.12 0.42 0.00 0.04 0.00 0.00 34.50 31.67 1nye s PRO 495 CO -0.08 -0.63 1.64 1.79 0.04 0.00 0.00 177.00 179.76 1nye h THR 496 N 3.88 0.04 -1.48 1.26 1.35 -1.32 -3.46 112.91 113.17 1nye h THR 496 Ca -0.43 -1.01 0.09 0.00 -0.55 0.00 0.00 66.41 64.51 1nye h THR 496 Cb 1.21 1.97 -0.27 0.00 -1.73 0.00 0.00 68.15 69.33 1nye h THR 496 CO 0.91 0.02 0.56 -0.55 -0.25 0.00 0.00 175.52 176.21 1nye s SER 497 N -6.17 -0.35 -0.19 5.36 0.15 -1.21 -5.01 113.70 106.28 1nye s SER 497 Ca 0.06 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 1nye s SER 497 Cb 0.05 0.64 0.07 0.00 -1.71 0.00 0.00 66.02 65.07 1nye s SER 497 CO 0.66 -0.15 0.13 -0.63 1.20 0.00 0.00 173.24 174.46 1nye s ILE 498 N -0.02 -0.17 -0.25 6.45 1.01 -1.26 -0.27 121.20 126.69 1nye s ILE 498 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1nye s ILE 498 Cb -0.04 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1nye s ILE 498 CO -0.07 -0.28 -0.04 -1.81 0.00 0.00 0.00 174.94 172.74 1nye s ASP 499 N 2.20 4.39 0.09 3.58 1.01 -0.78 -5.01 116.67 122.16 1nye s ASP 499 Ca 0.04 -0.81 0.05 0.00 0.71 0.00 0.00 52.55 52.54 1nye s ASP 499 Cb -0.16 -1.69 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1nye s ASP 499 CO -0.11 -0.12 -0.12 0.42 0.21 0.00 0.00 175.17 175.44 1nye s THR 500 N 1.36 1.09 0.30 -1.27 -4.23 -1.26 -0.24 115.64 111.39 1nye s THR 500 Ca 0.01 -1.53 0.11 0.00 -1.18 0.00 0.00 61.69 59.10 1nye s THR 500 Cb -0.16 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.34 1nye s THR 500 CO -0.04 -0.40 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.62 1nye s THR 501 N -1.92 2.49 -0.19 3.99 2.01 0.65 -4.97 115.64 117.71 1nye s THR 501 Ca 0.03 -2.27 -0.04 0.00 0.31 0.00 0.00 61.69 59.72 1nye s THR 501 Cb -0.06 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 70.02 1nye s THR 501 CO 0.02 -0.32 0.08 0.00 -0.69 0.00 0.00 174.62 173.70 1nye s ALA 502 N -2.53 0.61 -0.42 7.40 0.00 -1.26 -2.83 121.76 122.73 1nye s ALA 502 Ca 0.31 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 1nye s ALA 502 Cb -0.02 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1nye s ALA 502 CO 0.16 -1.20 0.30 0.34 0.00 0.00 0.00 175.76 175.36 1nye s ASP 503 N 2.05 5.95 -0.16 0.00 3.68 -0.55 -4.79 116.67 122.84 1nye s ASP 503 Ca 0.02 -1.17 -0.16 0.00 2.13 0.00 0.00 52.55 53.37 1nye s ASP 503 Cb -0.16 -2.10 -0.04 0.00 -1.45 0.00 0.00 42.92 39.16 1nye s ASP 503 CO -0.10 -0.51 0.38 -0.69 0.13 0.00 0.00 175.17 174.37 1nye s VAL 504 N 1.59 5.24 -0.29 1.11 1.01 -1.26 -0.80 120.40 127.00 1nye s VAL 504 Ca 0.04 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 1nye s VAL 504 Cb -0.21 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1nye s VAL 504 CO 0.07 0.32 0.16 -0.44 0.00 0.00 0.00 175.10 175.21 1nye s SER 505 N 0.71 5.73 -0.36 3.32 0.01 0.87 -4.99 113.70 118.99 1nye s SER 505 Ca 0.20 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1nye s SER 505 Cb -0.14 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.08 1nye s SER 505 CO 0.07 -0.11 0.14 -0.22 0.41 0.00 0.00 173.24 173.53 1nye s LEU 506 N 1.69 4.51 0.07 2.44 1.98 -1.26 -1.19 118.68 126.91 1nye s LEU 506 Ca 0.06 -1.23 0.06 0.00 -2.89 0.00 0.00 54.13 50.13 1nye s LEU 506 Cb -0.16 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.76 1nye s LEU 506 CO 0.08 -0.37 -0.10 -0.62 -1.89 0.00 0.00 176.35 173.45 1nye s ASP 507 N 1.54 4.37 -0.93 3.68 3.68 -0.29 -4.92 116.67 123.79 1nye s ASP 507 Ca -0.00 -0.33 -0.24 0.00 2.13 0.00 0.00 52.55 54.11 1nye s ASP 507 Cb -0.20 -0.87 0.02 0.00 -1.45 0.00 0.00 42.92 40.42 1nye s ASP 507 CO 0.03 0.21 1.60 -1.59 0.13 0.00 0.00 175.17 175.55 1nye s LYS 508 N -1.90 3.19 -0.13 4.34 0.00 -1.26 -1.56 119.74 122.42 1nye s LYS 508 Ca 0.19 -0.69 -0.02 0.00 0.00 0.00 0.00 55.97 55.46 1nye s LYS 508 Cb -0.11 -5.10 -0.03 0.00 0.00 0.00 0.00 37.83 32.60 1nye s LYS 508 CO 0.11 -2.58 -0.06 0.08 0.00 0.00 0.00 175.35 172.90 1nye s VAL 509 N 6.79 3.68 0.00 1.79 1.01 -0.43 -4.99 120.40 128.25 1nye s VAL 509 Ca 0.53 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1nye s VAL 509 Cb -0.03 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1nye s VAL 509 CO -0.03 0.52 0.00 0.47 0.00 0.00 0.00 175.10 176.06 1nye n ASP 510 N 3.22 0.00 -0.58 3.32 10.43 -1.26 -1.92 116.55 129.77 1nye n ASP 510 Ca -0.18 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.32 1nye n ASP 510 Cb 0.53 0.00 0.44 0.00 1.84 0.00 0.00 41.12 43.92 1nye n ASP 510 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nye n ALA 511 N 10.63 2.55 -3.00 2.24 0.00 -1.26 -4.95 120.51 126.72 1nye n ALA 511 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1nye n ALA 511 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1nye n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 512 N 1.21 5.19 3.51 0.00 0.00 -0.81 -5.18 105.19 109.12 1nye n GLY 512 Ca 0.18 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1nye n GLY 512 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 513 N -0.71 2.53 -0.11 1.61 0.08 -1.26 -1.31 117.98 118.82 1nye s PHE 513 Ca 0.00 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.70 1nye s PHE 513 Cb 0.00 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1nye s PHE 513 CO 0.00 0.48 0.27 0.00 -0.10 0.00 0.00 175.22 175.87 1nye s ALA 514 N -1.55 -0.66 -0.88 5.36 0.00 -0.60 -4.87 121.76 118.56 1nye s ALA 514 Ca 0.22 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 1nye s ALA 514 Cb -0.09 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1nye s ALA 514 CO 0.13 -0.15 1.36 0.42 0.00 0.00 0.00 175.76 177.52 1nye s ILE 515 N 0.52 3.83 0.15 0.00 1.01 -1.26 -1.14 121.20 124.31 1nye s ILE 515 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1nye s ILE 515 Cb -0.05 -4.99 -0.17 0.00 0.01 0.00 0.00 42.46 37.26 1nye s ILE 515 CO -0.03 -1.90 1.35 0.71 0.00 0.00 0.00 174.94 175.07 1nye h THR 516 N 6.42 1.58 -2.48 2.92 1.35 -1.51 -3.42 112.91 117.76 1nye h THR 516 Ca -0.04 -2.91 -0.07 0.00 -0.55 0.00 0.00 66.41 62.84 1nye h THR 516 Cb 1.03 2.62 -0.18 0.00 -1.73 0.00 0.00 68.15 69.89 1nye h THR 516 CO 1.35 0.84 0.05 -0.75 -0.25 0.00 0.00 175.52 176.76 1nye s LYS 517 N -3.01 0.98 -0.07 4.72 2.20 -1.23 -1.99 119.74 121.34 1nye s LYS 517 Ca -0.01 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1nye s LYS 517 Cb 0.10 0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.89 1nye s LYS 517 CO 0.82 -0.32 -0.06 0.42 -0.36 0.00 0.00 175.35 175.85 1nye s ILE 518 N -1.68 0.79 -0.25 5.43 1.01 0.78 -0.09 121.20 127.20 1nye s ILE 518 Ca -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1nye s ILE 518 Cb -0.01 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1nye s ILE 518 CO 0.05 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.29 1nye s ALA 519 N 1.27 2.92 -0.23 9.38 0.00 0.02 -1.57 121.76 133.55 1nye s ALA 519 Ca -0.04 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1nye s ALA 519 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1nye s ALA 519 CO -0.02 -0.61 0.32 -0.51 0.00 0.00 0.00 175.76 174.94 1nye s LEU 520 N 1.49 4.11 -0.13 0.00 1.43 0.20 -1.49 118.68 124.29 1nye s LEU 520 Ca 0.04 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1nye s LEU 520 Cb -0.15 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1nye s LEU 520 CO -0.01 -0.06 -0.18 -0.75 0.23 0.00 0.00 176.35 175.57 1nye s LYS 521 N 1.42 3.18 -0.07 1.70 2.20 -1.13 -0.02 119.74 127.03 1nye s LYS 521 Ca 0.15 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1nye s LYS 521 Cb -0.15 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.71 1nye s LYS 521 CO 0.08 0.12 0.16 0.45 -0.36 0.00 0.00 175.35 175.80 1nye s SER 522 N 0.53 -0.15 -0.43 1.43 0.15 0.22 -0.25 113.70 115.20 1nye s SER 522 Ca -0.12 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.79 1nye s SER 522 Cb -0.16 0.26 0.10 0.00 -1.71 0.00 0.00 66.02 64.50 1nye s SER 522 CO 0.04 -0.13 0.27 -1.61 1.20 0.00 0.00 173.24 173.02 1nye s GLU 523 N 0.92 2.46 0.10 5.44 2.02 0.66 -1.24 118.70 129.06 1nye s GLU 523 Ca -0.07 -1.61 0.01 0.00 0.02 0.00 0.00 54.97 53.32 1nye s GLU 523 Cb -0.09 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1nye s GLU 523 CO -0.05 -1.04 0.23 0.08 0.02 0.00 0.00 175.26 174.50 1nye s VAL 524 N 1.35 5.30 -0.30 2.63 1.01 -0.52 -1.86 120.40 128.00 1nye s VAL 524 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1nye s VAL 524 Cb -0.24 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1nye s VAL 524 CO 0.00 0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.21 1nye s ALA 525 N -1.61 1.79 -0.12 5.51 0.00 0.62 -2.31 121.76 125.65 1nye s ALA 525 Ca 0.34 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.59 1nye s ALA 525 Cb -0.12 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1nye s ALA 525 CO 0.28 -1.59 -0.16 0.08 0.00 0.00 0.00 175.76 174.37 1nye s VAL 526 N 1.48 1.56 0.00 0.00 1.01 -1.19 -0.71 120.40 122.55 1nye s VAL 526 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1nye s VAL 526 Cb -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1nye s VAL 526 CO -0.19 0.45 0.29 -2.65 0.00 0.00 0.00 175.10 173.00 1nye n PRO 527 N 4.27 0.00 -3.58 2.72 -0.02 -1.26 -4.25 135.00 132.87 1nye n PRO 527 Ca -0.19 0.29 -0.27 0.00 -2.02 0.00 0.00 63.50 61.31 1nye n PRO 527 Cb 0.51 -0.62 -0.11 0.00 -0.02 0.00 0.00 33.50 33.26 1nye n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nye n GLY 528 N -0.73 2.85 3.18 -1.23 0.00 -1.26 -4.75 105.19 103.25 1nye n GLY 528 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1nye n GLY 528 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nye s ILE 529 N -0.53 1.70 0.19 -0.61 1.01 -1.26 -5.11 121.20 116.59 1nye s ILE 529 Ca 0.30 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1nye s ILE 529 Cb 0.01 -1.46 -0.08 0.00 0.01 0.00 0.00 42.46 40.94 1nye s ILE 529 CO -0.19 0.48 1.27 1.51 0.00 0.00 0.00 174.94 178.01 1nye s ASP 530 N 0.05 6.96 0.58 3.58 -4.77 -1.26 -4.87 116.67 116.94 1nye s ASP 530 Ca -0.06 2.33 0.16 0.00 -3.30 0.00 0.00 52.55 51.68 1nye s ASP 530 Cb -0.13 -2.61 0.86 0.00 -1.09 0.00 0.00 42.92 39.95 1nye s ASP 530 CO 0.04 -0.48 1.45 0.00 0.70 0.00 0.00 175.17 176.88 1nye h ALA 531 N 5.39 1.51 0.04 2.11 0.00 -1.99 -2.42 119.26 123.91 1nye h ALA 531 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nye h ALA 531 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nye h ALA 531 CO 0.76 -0.51 -0.02 1.03 0.00 0.00 0.00 179.25 180.51 1nye h SER 532 N 0.00 -0.05 -0.44 0.00 0.87 -2.00 -2.87 113.55 109.07 1nye h SER 532 Ca 0.00 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1nye h SER 532 Cb 1.11 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1nye h SER 532 CO 0.00 0.56 0.19 0.71 -0.53 0.00 0.00 176.83 177.75 1nye h THR 533 N -1.00 1.19 -0.68 2.23 1.35 -1.86 -2.37 112.91 111.77 1nye h THR 533 Ca -0.01 -0.59 -0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1nye h THR 533 Cb 0.28 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1nye h THR 533 CO 0.01 0.23 0.30 0.15 -0.25 0.00 0.00 175.52 175.95 1nye h PHE 534 N 0.70 1.01 0.00 4.73 3.04 -1.58 -1.08 116.94 123.75 1nye h PHE 534 Ca 0.17 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1nye h PHE 534 Cb 0.15 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 1nye h PHE 534 CO 0.01 0.77 -0.14 0.22 -2.02 0.00 0.00 178.31 177.15 1nye h ASP 535 N 0.96 0.00 0.83 0.41 3.58 -1.19 0.14 116.42 121.15 1nye h ASP 535 Ca 0.23 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 1nye h ASP 535 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1nye h ASP 535 CO -0.02 0.14 -0.24 1.23 -2.88 0.00 0.00 179.24 177.46 1nye h GLY 536 N 0.65 0.00 0.00 -0.78 0.00 -0.88 -2.79 103.07 99.27 1nye h GLY 536 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nye h GLY 536 CO 0.02 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.95 1nye n ILE 537 N -3.46 0.00 -0.40 2.60 2.08 0.45 -3.04 119.36 117.58 1nye n ILE 537 Ca -0.00 0.28 0.33 0.00 0.56 0.00 0.00 62.75 63.92 1nye n ILE 537 Cb 0.42 -0.79 0.61 0.00 -0.75 0.00 0.00 39.64 39.12 1nye n ILE 537 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 1nye h ILE 538 N 0.00 0.15 -0.66 1.39 -0.00 -1.57 1.42 117.51 118.25 1nye h ILE 538 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 64.86 64.81 1nye h ILE 538 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 36.82 36.80 1nye h ILE 538 CO 0.00 0.02 0.37 1.56 -0.00 0.00 0.00 178.15 180.11 1nye h GLN 539 N 0.12 0.91 0.14 0.16 1.08 -1.64 0.30 115.11 116.18 1nye h GLN 539 Ca 0.80 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.90 1nye h GLN 539 Cb 2.34 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 29.59 1nye h GLN 539 CO -0.50 0.68 -0.07 0.87 -0.95 0.00 0.00 178.83 178.86 1nye h LYS 540 N 0.90 -0.18 0.00 1.46 1.79 0.20 -2.42 116.57 118.32 1nye h LYS 540 Ca 0.23 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1nye h LYS 540 Cb 0.02 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1nye h LYS 540 CO -0.04 -0.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.28 1nye n ALA 541 N -2.22 2.15 -0.04 3.86 0.00 -0.44 -0.34 120.51 123.49 1nye n ALA 541 Ca -0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1nye n ALA 541 Cb 0.13 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 1nye n ALA 541 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nye h LYS 542 N 0.00 0.13 0.00 0.00 3.11 0.10 -3.23 116.57 116.68 1nye h LYS 542 Ca 0.00 -0.23 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1nye h LYS 542 Cb 0.13 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1nye h LYS 542 CO 0.00 1.11 -1.27 0.00 -2.81 0.00 0.00 179.45 176.48 1nye n ALA 543 N -3.08 3.90 -0.02 5.00 0.00 -1.10 -4.48 120.51 120.73 1nye n ALA 543 Ca -0.26 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 1nye n ALA 543 Cb 0.78 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 19.28 1nye n ALA 543 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 544 N 1.41 -0.95 3.62 0.00 0.00 0.54 -4.38 105.19 105.43 1nye n GLY 544 Ca 0.01 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1nye n GLY 544 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nye h PRO 546 N 0.71 0.24 -0.05 0.00 0.11 -1.93 -1.76 132.00 129.32 1nye h PRO 546 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1nye h PRO 546 Cb 1.36 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1nye h PRO 546 CO 0.52 0.16 -0.01 0.28 -0.21 0.00 0.00 178.00 178.74 1nye h VAL 547 N 0.24 1.29 -0.47 3.15 2.07 -1.95 -2.16 116.25 118.44 1nye h VAL 547 Ca 0.46 -0.90 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1nye h VAL 547 Cb 0.84 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1nye h VAL 547 CO -0.57 0.25 0.33 0.28 0.02 0.00 0.00 177.57 177.88 1nye h SER 548 N -0.24 0.01 0.75 0.57 0.02 -1.77 -0.63 113.55 112.26 1nye h SER 548 Ca 0.01 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.79 1nye h SER 548 Cb 0.40 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1nye h SER 548 CO 0.00 0.01 -0.80 1.56 -1.14 0.00 0.00 176.83 176.46 1nye h GLN 549 N 0.01 0.03 0.00 3.45 1.08 -0.98 -3.19 115.11 115.52 1nye h GLN 549 Ca 0.22 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1nye h GLN 549 Cb 0.87 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1nye h GLN 549 CO -0.01 0.82 -0.48 0.28 -0.95 0.00 0.00 178.83 178.49 1nye n VAL 550 N -3.61 0.09 -3.12 -0.54 0.31 -0.32 -4.88 118.33 106.26 1nye n VAL 550 Ca -0.01 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 1nye n VAL 550 Cb 0.77 0.07 -0.05 0.00 -0.91 0.00 0.00 33.84 33.72 1nye n VAL 550 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nye s LEU 551 N -3.30 4.44 -0.08 7.52 1.43 -0.76 -4.97 118.68 122.96 1nye s LEU 551 Ca 0.10 1.28 0.17 0.00 -1.03 0.00 0.00 54.13 54.65 1nye s LEU 551 Cb 0.17 -3.05 0.59 0.00 0.03 0.00 0.00 46.19 43.93 1nye s LEU 551 CO 0.69 0.08 1.50 2.29 0.23 0.00 0.00 176.35 181.14 1nye n LYS 552 N 2.70 3.28 -3.27 1.70 2.85 -1.26 -4.97 118.16 119.18 1nye n LYS 552 Ca -0.05 -2.66 -0.22 0.00 -1.05 0.00 0.00 58.31 54.33 1nye n LYS 552 Cb 0.51 -1.69 -0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1nye n LYS 552 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nye s ALA 553 N -1.63 3.87 0.30 0.58 0.00 -1.26 -5.05 121.76 118.56 1nye s ALA 553 Ca 0.43 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1nye s ALA 553 Cb 0.27 -1.99 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 1nye s ALA 553 CO 0.22 -0.16 1.28 -2.00 0.00 0.00 0.00 175.76 175.09 1nye s GLU 554 N -4.36 4.41 -0.06 0.00 2.12 -0.84 -4.84 118.70 115.12 1nye s GLU 554 Ca 0.44 2.12 0.02 0.00 0.36 0.00 0.00 54.97 57.92 1nye s GLU 554 Cb -0.10 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1nye s GLU 554 CO 0.35 -0.14 -0.12 0.42 -0.54 0.00 0.00 175.26 175.23 1nye s ILE 555 N -0.87 1.13 0.23 -3.70 1.01 -1.26 -0.16 121.20 117.59 1nye s ILE 555 Ca 0.50 -0.48 0.11 0.00 0.00 0.00 0.00 60.65 60.77 1nye s ILE 555 Cb -0.38 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1nye s ILE 555 CO 0.48 0.35 -0.20 0.42 0.00 0.00 0.00 174.94 175.99 1nye s THR 556 N 0.63 2.22 -0.05 2.92 -4.23 -0.61 -4.99 115.64 111.53 1nye s THR 556 Ca -0.14 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.18 1nye s THR 556 Cb -0.15 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1nye s THR 556 CO 0.04 -0.35 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.43 1nye s LEU 557 N -3.15 1.70 -0.05 4.79 0.20 -1.25 0.58 118.68 121.48 1nye s LEU 557 Ca 0.24 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.84 1nye s LEU 557 Cb -0.05 -0.70 0.01 0.00 -0.43 0.00 0.00 46.19 45.02 1nye s LEU 557 CO 0.11 0.05 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.31 1nye s ASP 558 N 0.44 1.49 0.05 3.68 1.11 0.98 -4.98 116.67 119.43 1nye s ASP 558 Ca -0.09 -0.24 -0.17 0.00 0.18 0.00 0.00 52.55 52.23 1nye s ASP 558 Cb -0.12 -0.64 0.03 0.00 1.07 0.00 0.00 42.92 43.25 1nye s ASP 558 CO 0.02 0.02 0.39 -0.72 1.18 0.00 0.00 175.17 176.06 1nye s TYR 559 N 0.62 -0.23 -0.13 4.23 1.13 -1.26 0.71 117.35 122.42 1nye s TYR 559 Ca -0.12 0.15 0.02 0.00 -1.41 0.00 0.00 57.07 55.71 1nye s TYR 559 Cb -0.14 0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.92 1nye s TYR 559 CO 0.02 -0.56 -0.20 -0.65 -2.51 0.00 0.00 175.55 171.65 1nye s GLN 560 N -2.58 2.75 -0.35 -3.49 -0.21 -0.37 -4.97 119.66 110.43 1nye s GLN 560 Ca -0.05 -0.75 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 1nye s GLN 560 Cb -0.01 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.79 1nye s GLN 560 CO -0.03 -0.05 0.12 -1.17 -2.12 0.00 0.00 175.29 172.03 1nye s LEU 561 N 0.93 4.45 -0.11 2.90 1.98 -1.26 -1.44 118.68 126.12 1nye s LEU 561 Ca -0.05 -1.29 -0.26 0.00 -2.89 0.00 0.00 54.13 49.63 1nye s LEU 561 Cb -0.15 -1.86 -0.02 0.00 0.66 0.00 0.00 46.19 44.82 1nye s LEU 561 CO -0.03 -0.36 0.83 -0.54 -1.89 0.00 0.00 176.35 174.36 1nye s LYS 562 N 1.36 4.38 0.00 1.98 1.02 -0.98 -5.01 119.74 122.49 1nye s LYS 562 Ca -0.01 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1nye s LYS 562 Cb -0.20 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1nye s LYS 562 CO 0.01 -0.18 0.00 0.43 -0.92 0.00 0.00 175.35 174.69