#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na8 s SER 496 N 0.00 2.08 -0.07 1.96 0.15 -1.26 -5.02 113.70 111.55 1na8 s SER 496 Ca 0.00 -0.82 0.15 0.00 0.70 0.00 0.00 55.95 55.98 1na8 s SER 496 Cb 0.00 -0.08 0.55 0.00 -1.71 0.00 0.00 66.02 64.78 1na8 s SER 496 CO 0.00 -0.13 1.43 0.18 1.20 0.00 0.00 173.24 175.91 1na8 n LEU 497 N 0.49 3.61 0.21 3.45 4.77 -1.26 -4.43 117.00 123.85 1na8 n LEU 497 Ca -0.15 -1.82 0.06 0.00 -0.03 0.00 0.00 56.01 54.07 1na8 n LEU 497 Cb 0.57 -0.48 0.55 0.00 -2.33 0.00 0.00 43.42 41.74 1na8 n LEU 497 CO 0.27 0.67 1.00 0.00 -1.33 0.00 0.00 177.39 178.01 1na8 h ALA 498 N 3.85 1.83 -0.00 -1.18 0.00 -2.00 -2.49 119.26 119.26 1na8 h ALA 498 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1na8 h ALA 498 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1na8 h ALA 498 CO 0.14 0.13 -0.38 0.45 0.00 0.00 0.00 179.25 179.59 1na8 n SER 499 N -4.44 0.94 -4.70 0.00 2.88 -1.26 -4.97 113.62 102.08 1na8 n SER 499 Ca -0.02 -0.97 -0.39 0.00 -1.33 0.00 0.00 58.87 56.16 1na8 n SER 499 Cb 0.16 0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 1na8 n SER 499 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1na8 s ILE 500 N -1.78 5.11 -0.00 2.46 -1.09 -0.94 -5.06 121.20 119.90 1na8 s ILE 500 Ca 0.07 1.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.60 1na8 s ILE 500 Cb 0.09 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1na8 s ILE 500 CO 0.38 0.24 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.39 1na8 s THR 501 N 1.12 0.37 -0.33 2.92 2.01 -1.26 -4.98 115.64 115.49 1na8 s THR 501 Ca 0.28 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1na8 s THR 501 Cb -0.16 -0.33 0.10 0.00 0.01 0.00 0.00 72.50 72.13 1na8 s THR 501 CO 0.12 0.06 0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 1na8 s VAL 502 N -0.21 1.31 0.30 3.82 1.01 -1.26 -5.05 120.40 120.32 1na8 s VAL 502 Ca 0.01 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 1na8 s VAL 502 Cb -0.02 -1.98 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 1na8 s VAL 502 CO -0.00 -0.68 1.44 -2.65 0.00 0.00 0.00 175.10 173.21 1na8 n PRO 503 N 4.57 2.33 -0.21 2.72 -0.02 -1.26 -4.89 135.00 138.24 1na8 n PRO 503 Ca 0.00 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.32 1na8 n PRO 503 Cb 0.41 -2.50 0.11 0.00 -0.02 0.00 0.00 33.50 31.50 1na8 n PRO 503 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1na8 h LEU 504 N 3.72 -0.13 -2.44 2.45 5.85 -1.99 -0.61 115.31 122.15 1na8 h LEU 504 Ca -0.47 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1na8 h LEU 504 Cb 1.26 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 1na8 h LEU 504 CO 0.71 -0.06 0.16 -0.08 -0.34 0.00 0.00 178.44 178.83 1na8 h GLU 505 N 0.19 0.00 -0.01 1.25 4.57 -2.06 0.12 114.58 118.64 1na8 h GLU 505 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1na8 h GLU 505 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1na8 h GLU 505 CO -0.48 0.00 -0.10 -1.13 -1.18 0.00 0.00 179.01 176.12 1na8 n SER 506 N -3.31 1.10 -4.74 1.04 3.41 -0.24 -4.90 113.62 105.98 1na8 n SER 506 Ca -0.01 -1.13 -0.39 0.00 -0.26 0.00 0.00 58.87 57.08 1na8 n SER 506 Cb 0.24 0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1na8 n SER 506 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1na8 s ILE 507 N -2.24 5.00 -0.26 -1.33 1.01 0.43 -4.85 121.20 118.97 1na8 s ILE 507 Ca 0.33 1.26 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 1na8 s ILE 507 Cb 0.20 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1na8 s ILE 507 CO 0.42 0.35 0.06 -1.59 0.00 0.00 0.00 174.94 174.18 1na8 s LYS 508 N 0.29 3.46 0.24 2.79 -2.85 -1.26 -5.07 119.74 117.34 1na8 s LYS 508 Ca 0.32 -0.61 -0.31 0.00 -1.00 0.00 0.00 55.97 54.37 1na8 s LYS 508 Cb -0.17 -3.31 -0.12 0.00 -2.06 0.00 0.00 37.83 32.16 1na8 s LYS 508 CO 0.16 -0.27 1.62 -0.35 0.10 0.00 0.00 175.35 176.62 1na8 n PRO 509 N 4.90 2.61 -1.63 1.78 -0.04 -1.26 -4.42 135.00 136.94 1na8 n PRO 509 Ca -0.16 0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 63.94 1na8 n PRO 509 Cb 0.50 -2.73 0.20 0.00 -0.04 0.00 0.00 33.50 31.44 1na8 n PRO 509 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1na8 s SER 510 N 0.77 2.33 0.00 3.54 1.04 -1.12 -4.97 113.70 115.29 1na8 s SER 510 Ca 0.70 0.40 0.26 0.00 0.48 0.00 0.00 55.95 57.79 1na8 s SER 510 Cb -0.53 -0.51 0.66 0.00 0.10 0.00 0.00 66.02 65.74 1na8 s SER 510 CO 0.42 -3.23 1.53 0.59 0.98 0.00 0.00 173.24 173.52 1na8 n ASN 511 N -4.12 2.18 -4.74 7.02 3.02 -1.22 -4.94 115.26 112.45 1na8 n ASN 511 Ca 0.14 -1.73 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 1na8 n ASN 511 Cb 0.59 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 1na8 n ASN 511 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1na8 s ILE 512 N -2.00 3.59 0.23 2.41 1.01 -1.26 -4.95 121.20 120.23 1na8 s ILE 512 Ca 0.34 1.38 -0.32 0.00 0.00 0.00 0.00 60.65 62.05 1na8 s ILE 512 Cb 0.21 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 1na8 s ILE 512 CO 0.32 0.24 1.54 -0.11 0.00 0.00 0.00 174.94 176.93 1na8 n LEU 513 N 2.27 3.60 -4.73 2.97 7.94 -1.26 -4.73 117.00 123.07 1na8 n LEU 513 Ca 0.03 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.77 1na8 n LEU 513 Cb 0.45 -1.50 0.16 0.00 0.53 0.00 0.00 43.42 43.06 1na8 n LEU 513 CO 0.55 -0.16 0.67 -2.16 -1.11 0.00 0.00 177.39 175.18 1na8 s PRO 514 N 0.06 0.75 -0.09 1.96 0.04 -1.26 -4.87 135.00 131.58 1na8 s PRO 514 Ca 0.70 0.42 0.03 0.00 0.04 0.00 0.00 61.00 62.19 1na8 s PRO 514 Cb -0.59 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1na8 s PRO 514 CO 0.44 -2.49 -0.21 0.08 0.04 0.00 0.00 177.00 174.86 1na8 s VAL 515 N -3.10 1.84 -0.28 -0.36 1.01 0.27 -4.93 120.40 114.83 1na8 s VAL 515 Ca 0.65 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1na8 s VAL 515 Cb -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1na8 s VAL 515 CO 0.56 0.51 0.86 -0.89 0.00 0.00 0.00 175.10 176.14 1na8 s THR 516 N 0.45 4.76 -0.22 3.92 2.01 -1.26 0.14 115.64 125.43 1na8 s THR 516 Ca -0.17 1.44 0.10 0.00 0.31 0.00 0.00 61.69 63.36 1na8 s THR 516 Cb -0.17 -4.19 -0.21 0.00 0.01 0.00 0.00 72.50 67.94 1na8 s THR 516 CO 0.07 -0.22 -0.02 0.52 -0.69 0.00 0.00 174.62 174.28 1na8 n VAL 517 N 5.49 1.46 -3.86 3.82 0.31 0.46 -4.95 118.33 121.06 1na8 n VAL 517 Ca 0.06 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.55 1na8 n VAL 517 Cb 0.48 -0.96 -0.12 0.00 -0.91 0.00 0.00 33.84 32.33 1na8 n VAL 517 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1na8 s TYR 518 N -2.51 -0.04 -0.44 3.52 5.04 -1.05 -4.96 117.35 116.91 1na8 s TYR 518 Ca -0.21 0.11 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 1na8 s TYR 518 Cb 0.07 -0.01 0.18 0.00 0.35 0.00 0.00 41.96 42.56 1na8 s TYR 518 CO 0.73 -0.15 0.68 0.34 -1.34 0.00 0.00 175.55 175.82 1na8 s ASP 519 N -0.53 -1.45 -0.02 4.32 2.15 -1.24 -0.72 116.67 119.18 1na8 s ASP 519 Ca -0.06 -1.06 -0.14 0.00 0.43 0.00 0.00 52.55 51.73 1na8 s ASP 519 Cb -0.04 1.87 0.02 0.00 -0.30 0.00 0.00 42.92 44.47 1na8 s ASP 519 CO 0.00 -0.12 0.29 -1.10 -0.17 0.00 0.00 175.17 174.07 1na8 s GLN 520 N 1.53 0.63 -1.73 4.34 -0.21 -0.71 -4.89 119.66 118.61 1na8 s GLN 520 Ca 0.21 -0.19 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 1na8 s GLN 520 Cb -0.02 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.27 1na8 s GLN 520 CO -0.07 -0.17 0.18 0.72 -2.12 0.00 0.00 175.29 173.83 1na8 n HIS 521 N 1.36 -1.28 -1.06 0.91 8.25 -1.26 -0.67 115.22 121.47 1na8 n HIS 521 Ca -0.21 0.15 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1na8 n HIS 521 Cb 0.56 -4.16 -0.01 0.00 1.12 0.00 0.00 29.99 27.50 1na8 n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1na8 n GLY 522 N -1.17 0.49 3.41 -1.41 0.00 -1.26 -4.66 105.19 100.59 1na8 n GLY 522 Ca -0.21 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1na8 n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1na8 s PHE 523 N -1.79 3.06 -0.06 1.61 5.36 0.16 -1.34 117.98 124.98 1na8 s PHE 523 Ca 0.00 -0.54 0.06 0.00 -0.96 0.00 0.00 56.93 55.49 1na8 s PHE 523 Cb 0.00 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 1na8 s PHE 523 CO 0.00 -0.40 -0.24 1.03 -1.46 0.00 0.00 175.22 174.15 1na8 s ARG 524 N 1.58 2.55 -0.14 10.12 0.52 -0.35 -1.75 118.95 131.49 1na8 s ARG 524 Ca 0.06 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1na8 s ARG 524 Cb -0.15 -2.19 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1na8 s ARG 524 CO 0.02 0.40 -0.21 0.42 0.02 0.00 0.00 175.30 175.95 1na8 s ILE 525 N -0.21 2.02 0.04 1.52 1.01 0.10 -1.30 121.20 124.38 1na8 s ILE 525 Ca -0.02 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1na8 s ILE 525 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1na8 s ILE 525 CO 0.03 0.54 -0.24 -0.76 0.00 0.00 0.00 174.94 174.52 1na8 s LEU 526 N 0.84 2.15 -0.23 2.97 1.43 0.08 -0.41 118.68 125.52 1na8 s LEU 526 Ca -0.07 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.40 1na8 s LEU 526 Cb -0.15 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1na8 s LEU 526 CO -0.02 0.22 0.12 -0.36 0.23 0.00 0.00 176.35 176.54 1na8 s PHE 527 N -0.77 3.23 -0.13 0.29 2.99 0.12 -1.26 117.98 122.46 1na8 s PHE 527 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 56.93 57.07 1na8 s PHE 527 Cb -0.09 -2.22 -0.00 0.00 0.00 0.00 0.00 43.02 40.70 1na8 s PHE 527 CO 0.02 -0.03 -0.18 -1.01 -0.00 0.00 0.00 175.22 174.02 1na8 s HIS 528 N 1.07 2.71 0.41 0.36 3.76 -0.52 -0.57 115.29 122.51 1na8 s HIS 528 Ca 0.06 -0.96 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 1na8 s HIS 528 Cb -0.14 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1na8 s HIS 528 CO 0.04 -0.39 0.63 -0.06 -0.85 0.00 0.00 174.74 174.11 1na8 s PHE 529 N 0.52 3.39 0.26 1.40 0.40 -1.26 -0.58 117.98 122.11 1na8 s PHE 529 Ca -0.12 0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 1na8 s PHE 529 Cb -0.16 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.26 1na8 s PHE 529 CO 0.04 -0.13 0.65 0.00 0.70 0.00 0.00 175.22 176.48 1na8 s ALA 530 N -2.47 -1.00 0.64 5.36 0.00 -0.26 -2.78 121.76 121.24 1na8 s ALA 530 Ca 0.44 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1na8 s ALA 530 Cb -0.10 0.90 0.08 0.00 0.00 0.00 0.00 23.12 24.00 1na8 s ALA 530 CO 0.38 -0.98 0.89 1.03 0.00 0.00 0.00 175.76 177.08 1na8 s ARG 531 N -3.93 2.11 -0.54 0.00 0.52 -1.26 -3.47 118.95 112.38 1na8 s ARG 531 Ca 0.13 -0.92 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 1na8 s ARG 531 Cb -0.04 -2.40 0.07 0.00 0.52 0.00 0.00 34.95 33.10 1na8 s ARG 531 CO 0.06 -1.10 0.67 0.34 0.02 0.00 0.00 175.30 175.30 1na8 s ASP 532 N -4.58 6.21 0.55 0.23 -1.08 -1.26 -4.64 116.67 112.10 1na8 s ASP 532 Ca 0.62 -1.04 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 1na8 s ASP 532 Cb -0.08 -2.30 1.44 0.00 -1.46 0.00 0.00 42.92 40.52 1na8 s ASP 532 CO 0.42 -0.99 2.02 1.55 0.52 0.00 0.00 175.17 178.69 1na8 h PRO 533 N 9.08 0.00 -6.56 4.34 0.13 -1.96 -3.38 132.00 133.66 1na8 h PRO 533 Ca -0.28 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 1na8 h PRO 533 Cb 1.09 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 1na8 h PRO 533 CO 1.02 0.00 0.87 -0.51 -0.23 0.00 0.00 178.00 179.15 1na8 s LEU 534 N -8.46 3.74 -1.39 1.56 1.43 -1.26 -4.95 118.68 109.35 1na8 s LEU 534 Ca -0.05 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1na8 s LEU 534 Cb 0.18 -3.51 0.09 0.00 0.03 0.00 0.00 46.19 42.98 1na8 s LEU 534 CO 0.68 -1.14 2.13 -0.81 0.23 0.00 0.00 176.35 177.44 1na8 n PRO 535 N 7.53 3.25 -0.10 1.29 -0.04 -1.26 -4.21 135.00 141.46 1na8 n PRO 535 Ca 0.11 -2.97 -0.22 0.00 -0.04 0.00 0.00 63.50 60.39 1na8 n PRO 535 Cb 0.48 -3.10 -0.12 0.00 -0.04 0.00 0.00 33.50 30.72 1na8 n PRO 535 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1na8 n GLY 536 N 3.49 -0.48 3.81 0.55 0.00 -1.26 -5.04 105.19 106.26 1na8 n GLY 536 Ca 0.49 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 1na8 n GLY 536 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1na8 s ARG 537 N -2.51 1.64 0.07 1.61 3.52 -1.26 -5.03 118.95 116.98 1na8 s ARG 537 Ca -0.32 -0.89 0.26 0.00 -0.13 0.00 0.00 55.73 54.65 1na8 s ARG 537 Cb 0.09 0.57 0.73 0.00 -1.56 0.00 0.00 34.95 34.78 1na8 s ARG 537 CO 0.62 -0.75 1.61 0.45 -0.81 0.00 0.00 175.30 176.42 1na8 n SER 538 N -0.46 0.47 0.13 -2.12 2.88 -1.26 -4.45 113.62 108.81 1na8 n SER 538 Ca -0.05 0.22 0.12 0.00 -1.33 0.00 0.00 58.87 57.83 1na8 n SER 538 Cb 0.60 -0.19 0.48 0.00 -0.75 0.00 0.00 64.21 64.35 1na8 n SER 538 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1na8 n ASP 539 N -1.80 0.66 -4.81 -3.46 5.75 -1.26 -4.46 116.55 107.17 1na8 n ASP 539 Ca 0.05 0.66 -0.36 0.00 -0.01 0.00 0.00 54.79 55.13 1na8 n ASP 539 Cb 0.38 -0.80 -0.07 0.00 -1.03 0.00 0.00 41.12 39.60 1na8 n ASP 539 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1na8 s VAL 540 N -3.30 5.44 -0.18 2.12 1.01 -1.26 -2.65 120.40 121.58 1na8 s VAL 540 Ca 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1na8 s VAL 540 Cb 0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1na8 s VAL 540 CO 0.40 0.53 -0.02 -0.22 0.00 0.00 0.00 175.10 175.80 1na8 s LEU 541 N -0.40 3.24 -0.11 3.92 2.96 0.78 -4.43 118.68 124.65 1na8 s LEU 541 Ca 0.13 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 1na8 s LEU 541 Cb -0.12 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1na8 s LEU 541 CO 0.02 0.11 0.27 -0.69 -1.32 0.00 0.00 176.35 174.74 1na8 s VAL 542 N 0.73 5.29 -0.05 1.68 1.01 -1.23 -0.67 120.40 127.17 1na8 s VAL 542 Ca -0.01 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1na8 s VAL 542 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1na8 s VAL 542 CO 0.02 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1na8 s VAL 543 N -0.32 0.57 -0.26 2.92 1.01 0.32 -1.11 120.40 123.53 1na8 s VAL 543 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1na8 s VAL 543 Cb -0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1na8 s VAL 543 CO 0.06 0.24 0.20 -0.69 0.00 0.00 0.00 175.10 174.91 1na8 s VAL 544 N 1.05 5.32 -0.30 2.92 1.01 0.25 0.02 120.40 130.66 1na8 s VAL 544 Ca -0.09 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1na8 s VAL 544 Cb -0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1na8 s VAL 544 CO -0.01 0.29 0.46 -0.69 0.00 0.00 0.00 175.10 175.15 1na8 s VAL 545 N 1.41 5.09 -0.12 2.92 1.01 0.10 -1.44 120.40 129.38 1na8 s VAL 545 Ca 0.08 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 1na8 s VAL 545 Cb -0.15 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1na8 s VAL 545 CO 0.08 -0.02 0.00 -0.44 0.00 0.00 0.00 175.10 174.72 1na8 s SER 546 N 1.67 5.18 -0.14 3.32 0.01 -0.39 -1.01 113.70 122.33 1na8 s SER 546 Ca 0.18 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.51 1na8 s SER 546 Cb -0.16 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.44 1na8 s SER 546 CO 0.11 0.28 -0.20 -0.04 0.41 0.00 0.00 173.24 173.81 1na8 s MET 547 N -0.31 2.80 0.01 12.44 -1.94 -0.62 -0.74 119.30 130.94 1na8 s MET 547 Ca 0.06 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 1na8 s MET 547 Cb -0.12 -2.32 -0.01 0.00 2.01 0.00 0.00 34.83 34.39 1na8 s MET 547 CO 0.02 -0.07 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.36 1na8 s LEU 548 N 0.97 2.08 -0.04 -0.03 1.43 -0.42 -1.88 118.68 120.79 1na8 s LEU 548 Ca -0.04 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1na8 s LEU 548 Cb -0.15 -0.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 1na8 s LEU 548 CO -0.04 0.04 -0.16 -0.55 0.23 0.00 0.00 176.35 175.88 1na8 s SER 549 N -0.58 2.01 -0.01 2.29 0.15 -1.26 -1.22 113.70 115.09 1na8 s SER 549 Ca 0.01 -0.33 0.15 0.00 0.70 0.00 0.00 55.95 56.48 1na8 s SER 549 Cb -0.05 -0.60 0.43 0.00 -1.71 0.00 0.00 66.02 64.09 1na8 s SER 549 CO 0.00 0.13 1.36 0.35 1.20 0.00 0.00 173.24 176.28 1na8 n THR 550 N 3.23 1.06 -2.22 6.45 -2.24 -0.45 -4.42 114.28 115.70 1na8 n THR 550 Ca -0.19 -1.03 -0.35 0.00 -2.27 0.00 0.00 64.05 60.21 1na8 n THR 550 Cb 0.53 0.47 0.01 0.00 -2.10 0.00 0.00 70.33 69.23 1na8 n THR 550 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1na8 s ALA 551 N -1.08 2.68 -2.01 6.98 0.00 -1.25 -4.63 121.76 122.44 1na8 s ALA 551 Ca 0.33 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.17 1na8 s ALA 551 Cb 0.17 -3.36 0.25 0.00 0.00 0.00 0.00 23.12 20.18 1na8 s ALA 551 CO 0.21 -0.81 1.18 -0.35 0.00 0.00 0.00 175.76 175.99 1na8 n PRO 552 N -1.37 1.26 -4.17 0.00 -0.04 -1.26 -0.42 135.00 129.00 1na8 n PRO 552 Ca 0.12 -0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 63.07 1na8 n PRO 552 Cb 0.51 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 1na8 n PRO 552 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1na8 s GLN 553 N -1.86 0.84 0.59 0.54 -2.07 -1.26 -4.81 119.66 111.62 1na8 s GLN 553 Ca 0.11 -1.31 -0.16 0.00 -1.82 0.00 0.00 55.36 52.18 1na8 s GLN 553 Cb 0.06 -0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 31.68 1na8 s GLN 553 CO 0.08 -0.00 1.05 -2.14 -1.32 0.00 0.00 175.29 172.96 1na8 s PRO 554 N -3.69 3.38 -0.17 9.60 0.02 -1.26 -4.03 135.00 138.85 1na8 s PRO 554 Ca 0.11 1.17 -0.02 0.00 0.02 0.00 0.00 61.00 62.28 1na8 s PRO 554 Cb 0.04 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1na8 s PRO 554 CO -0.04 -0.75 -0.10 0.42 -0.33 0.00 0.00 177.00 176.20 1na8 s ILE 555 N -2.49 3.15 0.35 2.83 1.01 -0.42 -4.19 121.20 121.44 1na8 s ILE 555 Ca 0.63 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1na8 s ILE 555 Cb -0.15 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 1na8 s ILE 555 CO 0.37 0.48 -0.05 -0.13 0.00 0.00 0.00 174.94 175.61 1na8 s ARG 556 N 0.88 1.91 -1.37 2.79 0.52 -0.32 -0.57 118.95 122.78 1na8 s ARG 556 Ca -0.02 -1.89 -0.05 0.00 -0.52 0.00 0.00 55.73 53.24 1na8 s ARG 556 Cb -0.15 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.55 1na8 s ARG 556 CO 0.00 0.12 0.70 0.09 0.02 0.00 0.00 175.30 176.24 1na8 n ASN 557 N -0.86 -5.82 -4.66 0.23 3.02 -0.75 -1.13 115.26 105.29 1na8 n ASN 557 Ca -0.05 -0.33 -0.43 0.00 -0.03 0.00 0.00 54.58 53.75 1na8 n ASN 557 Cb 0.63 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 35.19 1na8 n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1na8 s ILE 558 N -3.17 4.47 -0.17 2.41 1.01 -0.72 -3.86 121.20 121.18 1na8 s ILE 558 Ca 0.35 1.78 -0.01 0.00 0.00 0.00 0.00 60.65 62.77 1na8 s ILE 558 Cb -0.15 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.22 1na8 s ILE 558 CO 0.43 -0.13 -0.02 -0.69 0.00 0.00 0.00 174.94 174.53 1na8 s VAL 559 N 3.18 0.87 -0.37 2.92 1.01 -0.19 -4.73 120.40 123.10 1na8 s VAL 559 Ca 0.50 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1na8 s VAL 559 Cb -0.19 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1na8 s VAL 559 CO 0.12 0.04 0.19 0.12 0.00 0.00 0.00 175.10 175.57 1na8 s PHE 560 N 1.73 3.24 0.36 5.22 5.36 -1.26 -1.29 117.98 131.33 1na8 s PHE 560 Ca 0.00 -0.95 0.08 0.00 -0.96 0.00 0.00 56.93 55.10 1na8 s PHE 560 Cb -0.16 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 1na8 s PHE 560 CO -0.07 -0.63 0.22 -0.65 -1.46 0.00 0.00 175.22 172.63 1na8 s GLN 561 N 1.55 2.48 0.03 10.12 -0.21 0.38 -4.98 119.66 129.03 1na8 s GLN 561 Ca 0.02 -1.51 -0.21 0.00 0.02 0.00 0.00 55.36 53.68 1na8 s GLN 561 Cb -0.19 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.60 1na8 s GLN 561 CO 0.06 0.04 0.48 -1.12 -2.12 0.00 0.00 175.29 172.63 1na8 s SER 562 N -3.94 -0.38 0.05 5.90 0.01 -1.26 -1.32 113.70 112.76 1na8 s SER 562 Ca 0.40 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.80 1na8 s SER 562 Cb -0.03 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 1na8 s SER 562 CO 0.24 -0.66 0.03 0.00 0.41 0.00 0.00 173.24 173.27 1na8 s ALA 563 N -2.19 0.26 0.05 1.44 0.00 -0.26 -5.00 121.76 116.07 1na8 s ALA 563 Ca -0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 1na8 s ALA 563 Cb -0.01 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1na8 s ALA 563 CO 0.00 -0.37 0.09 0.54 0.00 0.00 0.00 175.76 176.02 1na8 s VAL 564 N -3.54 0.15 0.61 0.00 0.11 -1.26 -2.02 120.40 114.44 1na8 s VAL 564 Ca 0.03 -1.20 -0.18 0.00 -2.93 0.00 0.00 61.98 57.70 1na8 s VAL 564 Cb 0.05 -1.04 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1na8 s VAL 564 CO -0.09 -0.66 0.74 -2.65 -3.33 0.00 0.00 175.10 169.11 1na8 n PRO 565 N 0.55 0.65 0.28 1.54 -0.02 -1.26 -4.81 135.00 131.93 1na8 n PRO 565 Ca -0.18 0.26 0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1na8 n PRO 565 Cb 0.59 -1.95 0.95 0.00 -0.02 0.00 0.00 33.50 33.07 1na8 n PRO 565 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1na8 h LYS 566 N 0.25 0.00 0.00 -0.52 3.64 -2.00 -0.75 116.57 117.19 1na8 h LYS 566 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1na8 h LYS 566 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1na8 h LYS 566 CO 0.48 0.00 0.00 0.28 -2.27 0.00 0.00 179.45 177.94 1na8 h VAL 567 N 0.00 0.00 -4.06 2.00 2.07 -1.97 -3.44 116.25 110.85 1na8 h VAL 567 Ca 0.04 -0.17 -0.36 0.00 0.82 0.00 0.00 66.70 67.02 1na8 h VAL 567 Cb 0.35 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 30.86 1na8 h VAL 567 CO -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 177.57 177.00 1na8 s MET 568 N -3.51 1.47 0.14 1.57 0.23 -0.29 -4.64 119.30 114.27 1na8 s MET 568 Ca 0.01 -1.81 0.06 0.00 -1.03 0.00 0.00 55.69 52.91 1na8 s MET 568 Cb 0.09 -0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 1na8 s MET 568 CO 0.35 -0.40 -0.13 0.15 -2.03 0.00 0.00 175.02 172.97 1na8 s LYS 569 N -3.94 1.08 0.01 3.16 -0.14 -0.66 -4.71 119.74 114.54 1na8 s LYS 569 Ca 0.37 -1.36 0.02 0.00 -1.36 0.00 0.00 55.97 53.64 1na8 s LYS 569 Cb 0.06 -0.83 -0.01 0.00 -1.68 0.00 0.00 37.83 35.37 1na8 s LYS 569 CO 0.16 0.14 -0.06 0.54 -0.76 0.00 0.00 175.35 175.36 1na8 s VAL 570 N -2.65 0.48 -0.02 3.17 0.11 -1.26 -1.18 120.40 119.05 1na8 s VAL 570 Ca 0.13 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1na8 s VAL 570 Cb -0.02 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1na8 s VAL 570 CO 0.03 0.01 0.05 -0.75 -3.33 0.00 0.00 175.10 171.11 1na8 s LYS 571 N -0.47 0.02 -0.18 1.54 2.47 -0.73 -5.00 119.74 117.38 1na8 s LYS 571 Ca -0.01 0.15 -0.00 0.00 -1.56 0.00 0.00 55.97 54.55 1na8 s LYS 571 Cb -0.04 -0.11 0.01 0.00 -1.46 0.00 0.00 37.83 36.22 1na8 s LYS 571 CO -0.00 -0.09 -0.15 -0.51 0.16 0.00 0.00 175.35 174.76 1na8 s LEU 572 N 0.60 2.42 0.66 5.43 1.43 -1.26 -0.65 118.68 127.31 1na8 s LEU 572 Ca -0.05 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1na8 s LEU 572 Cb -0.07 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1na8 s LEU 572 CO -0.02 0.02 1.05 -1.10 0.23 0.00 0.00 176.35 176.54 1na8 s GLN 573 N 1.18 3.24 0.32 1.70 -0.21 -0.18 -4.97 119.66 120.73 1na8 s GLN 573 Ca 0.02 0.70 -0.29 0.00 0.02 0.00 0.00 55.36 55.81 1na8 s GLN 573 Cb -0.14 -2.04 -0.13 0.00 1.00 0.00 0.00 33.01 31.70 1na8 s GLN 573 CO -0.06 -0.82 1.28 -2.30 -2.12 0.00 0.00 175.29 171.27 1na8 n PRO 574 N -2.90 2.02 -1.98 2.91 -0.02 -1.26 -4.46 135.00 129.30 1na8 n PRO 574 Ca 0.06 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1na8 n PRO 574 Cb 0.55 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1na8 n PRO 574 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1na8 s PRO 575 N -1.58 2.64 0.57 0.52 0.04 -1.26 -4.67 135.00 131.25 1na8 s PRO 575 Ca 0.58 0.28 0.35 0.00 0.04 0.00 0.00 61.00 62.25 1na8 s PRO 575 Cb -0.60 -2.05 1.54 0.00 0.04 0.00 0.00 34.50 33.43 1na8 s PRO 575 CO 0.60 -1.12 2.05 0.66 0.04 0.00 0.00 177.00 179.23 1na8 h SER 576 N -0.67 0.00 -2.04 6.66 4.64 -1.23 -3.47 113.55 117.44 1na8 h SER 576 Ca -0.45 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.10 1na8 h SER 576 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1na8 h SER 576 CO 0.64 0.01 0.67 0.61 -0.87 0.00 0.00 176.83 177.89 1na8 n GLY 577 N -0.17 0.45 0.24 -0.77 0.00 -1.26 -4.98 105.19 98.69 1na8 n GLY 577 Ca -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 44.98 1na8 n GLY 577 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1na8 n MET 578 N -0.72 0.65 -3.82 1.61 0.00 -1.26 -4.94 117.12 108.63 1na8 n MET 578 Ca 0.01 -1.33 -0.12 0.00 0.00 0.00 0.00 57.70 56.27 1na8 n MET 578 Cb 0.50 -0.79 -0.09 0.00 0.00 0.00 0.00 33.22 32.83 1na8 n MET 578 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1na8 s GLU 579 N -0.80 0.58 0.04 3.17 2.02 -1.26 -1.75 118.70 120.70 1na8 s GLU 579 Ca 0.08 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 54.78 1na8 s GLU 579 Cb 0.07 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 1na8 s GLU 579 CO 0.01 -0.15 -0.15 -0.51 0.02 0.00 0.00 175.26 174.47 1na8 s LEU 580 N -1.43 2.16 0.74 1.80 1.43 0.26 -4.92 118.68 118.72 1na8 s LEU 580 Ca -0.13 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1na8 s LEU 580 Cb -0.06 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.53 1na8 s LEU 580 CO 0.02 0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.62 1na8 s PRO 581 N -1.07 2.58 0.61 1.29 0.04 -1.26 -1.31 135.00 135.88 1na8 s PRO 581 Ca 0.03 0.42 -0.19 0.00 0.04 0.00 0.00 61.00 61.29 1na8 s PRO 581 Cb -0.08 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1na8 s PRO 581 CO 0.01 -1.22 1.15 0.00 0.04 0.00 0.00 177.00 176.98 1na8 n ALA 582 N -3.12 0.76 -2.11 8.56 0.00 -1.26 -4.66 120.51 118.67 1na8 n ALA 582 Ca 0.07 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1na8 n ALA 582 Cb 0.58 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 1na8 n ALA 582 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1na8 s PHE 583 N -1.42 3.48 -0.23 0.00 5.36 0.44 -4.94 117.98 120.67 1na8 s PHE 583 Ca 0.78 1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 58.17 1na8 s PHE 583 Cb -0.41 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 38.97 1na8 s PHE 583 CO 0.45 -1.02 0.10 1.21 -1.46 0.00 0.00 175.22 174.50 1na8 s ASN 584 N 0.19 3.04 0.22 6.13 2.47 -1.26 -4.81 114.94 120.91 1na8 s ASN 584 Ca 0.53 -1.00 0.16 0.00 0.42 0.00 0.00 52.86 52.97 1na8 s ASN 584 Cb -0.31 -0.39 0.84 0.00 -1.45 0.00 0.00 41.25 39.94 1na8 s ASN 584 CO 0.35 -0.38 1.50 -0.81 -3.72 0.00 0.00 177.10 174.03 1na8 n PRO 585 N 5.20 0.11 0.19 0.43 -0.04 -1.26 -1.85 135.00 137.77 1na8 n PRO 585 Ca -0.06 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.02 1na8 n PRO 585 Cb 0.45 -1.82 0.30 0.00 -0.04 0.00 0.00 33.50 32.40 1na8 n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1na8 h ILE 586 N 0.00 0.76 -1.23 0.52 1.08 -2.02 -3.46 117.51 113.16 1na8 h ILE 586 Ca 0.00 -1.55 -0.64 0.00 -0.39 0.00 0.00 64.86 62.28 1na8 h ILE 586 Cb 0.06 1.99 -0.12 0.00 -3.07 0.00 0.00 36.82 35.68 1na8 h ILE 586 CO 0.00 0.35 -0.55 0.68 -0.69 0.00 0.00 178.15 177.93 1na8 s VAL 587 N -3.46 1.78 0.60 1.67 -7.23 -0.77 -5.12 120.40 107.86 1na8 s VAL 587 Ca 0.01 -1.95 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1na8 s VAL 587 Cb 0.10 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1na8 s VAL 587 CO 0.68 0.00 1.31 -1.38 -0.31 0.00 0.00 175.10 175.41 1na8 s HIS 588 N -2.75 2.20 0.78 2.82 -3.43 -1.26 -4.85 115.29 108.80 1na8 s HIS 588 Ca 0.27 1.44 -0.11 0.00 -0.80 0.00 0.00 55.06 55.86 1na8 s HIS 588 Cb 0.06 -3.72 0.06 0.00 -1.43 0.00 0.00 32.58 27.55 1na8 s HIS 588 CO 0.14 -2.85 1.08 -1.25 -2.00 0.00 0.00 174.74 169.87 1na8 s PRO 589 N -3.16 2.23 0.34 -0.38 0.04 -1.26 -4.94 135.00 127.88 1na8 s PRO 589 Ca 0.77 1.02 0.09 0.00 0.04 0.00 0.00 61.00 62.92 1na8 s PRO 589 Cb -0.38 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1na8 s PRO 589 CO 0.43 -1.62 0.08 -1.12 0.04 0.00 0.00 177.00 174.81 1na8 s SER 590 N -3.53 4.45 -0.07 6.66 0.01 -1.26 -5.15 113.70 114.81 1na8 s SER 590 Ca 0.61 -0.88 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1na8 s SER 590 Cb -0.16 -0.64 0.09 0.00 0.21 0.00 0.00 66.02 65.52 1na8 s SER 590 CO 0.56 -0.27 0.78 0.00 0.41 0.00 0.00 173.24 174.71 1na8 s ALA 591 N -2.47 -1.81 0.05 1.44 0.00 -1.26 -4.59 121.76 113.12 1na8 s ALA 591 Ca 0.36 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1na8 s ALA 591 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1na8 s ALA 591 CO 0.21 -0.38 0.07 0.42 0.00 0.00 0.00 175.76 176.08 1na8 s ILE 592 N -1.37 4.53 0.09 0.00 1.01 -0.79 -4.97 121.20 119.71 1na8 s ILE 592 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1na8 s ILE 592 Cb -0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1na8 s ILE 592 CO 0.06 0.22 -0.16 0.42 0.00 0.00 0.00 174.94 175.48 1na8 s THR 593 N -1.30 1.32 -0.16 2.92 -4.23 -1.26 -1.58 115.64 111.36 1na8 s THR 593 Ca 0.26 -1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 1na8 s THR 593 Cb -0.12 -1.32 0.07 0.00 1.34 0.00 0.00 72.50 72.47 1na8 s THR 593 CO 0.18 -0.24 0.35 -1.58 -0.54 0.00 0.00 174.62 172.79 1na8 s GLN 594 N -2.04 0.27 -0.04 3.99 0.74 -0.18 -0.61 119.66 121.79 1na8 s GLN 594 Ca 0.03 0.81 -0.28 0.00 0.05 0.00 0.00 55.36 55.97 1na8 s GLN 594 Cb -0.09 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.06 1na8 s GLN 594 CO 0.03 -0.22 0.91 0.08 -0.55 0.00 0.00 175.29 175.53 1na8 s VAL 595 N 2.03 4.90 -0.13 1.34 1.01 -1.26 0.02 120.40 128.31 1na8 s VAL 595 Ca -0.04 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.85 1na8 s VAL 595 Cb -0.11 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1na8 s VAL 595 CO -0.11 0.15 -0.22 -0.22 0.00 0.00 0.00 175.10 174.71 1na8 s LEU 596 N 1.16 2.07 -0.15 3.92 0.20 0.10 -1.01 118.68 124.98 1na8 s LEU 596 Ca 0.47 -0.58 -0.03 0.00 0.69 0.00 0.00 54.13 54.68 1na8 s LEU 596 Cb -0.20 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1na8 s LEU 596 CO 0.23 0.09 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.58 1na8 s LEU 597 N 0.76 3.26 -0.25 -0.68 1.43 0.17 -0.52 118.68 122.86 1na8 s LEU 597 Ca -0.09 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1na8 s LEU 597 Cb -0.16 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1na8 s LEU 597 CO -0.00 0.19 -0.10 -0.76 0.23 0.00 0.00 176.35 175.91 1na8 s LEU 598 N 0.21 3.17 -0.27 1.79 1.43 0.16 -1.78 118.68 123.39 1na8 s LEU 598 Ca -0.02 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 51.83 1na8 s LEU 598 Cb -0.14 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1na8 s LEU 598 CO 0.03 -0.14 0.39 0.00 0.23 0.00 0.00 176.35 176.86 1na8 s ALA 599 N 1.21 3.56 -0.41 4.21 0.00 -0.32 -0.16 121.76 129.86 1na8 s ALA 599 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1na8 s ALA 599 Cb -0.18 -2.74 0.21 0.00 0.00 0.00 0.00 23.12 20.41 1na8 s ALA 599 CO -0.06 -0.69 0.47 -1.71 0.00 0.00 0.00 175.76 173.77 1na8 n ASN 600 N 5.37 -0.48 -0.23 0.00 5.15 -1.08 -1.65 115.26 122.34 1na8 n ASN 600 Ca -0.08 -2.59 -0.07 0.00 -0.60 0.00 0.00 54.58 51.24 1na8 n ASN 600 Cb 0.51 -0.34 0.03 0.00 -0.53 0.00 0.00 39.78 39.45 1na8 n ASN 600 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1na8 h PRO 601 N 4.78 0.97 0.00 1.20 0.11 -1.82 -2.12 132.00 135.12 1na8 h PRO 601 Ca 0.15 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1na8 h PRO 601 Cb 0.91 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1na8 h PRO 601 CO 0.39 0.84 0.00 1.04 -0.21 0.00 0.00 178.00 180.06 1na8 n GLN 602 N -4.39 0.05 -3.89 1.05 1.13 -1.26 -4.89 117.38 105.18 1na8 n GLN 602 Ca 0.04 0.28 -0.27 0.00 -1.94 0.00 0.00 57.00 55.12 1na8 n GLN 602 Cb 0.19 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.05 1na8 n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1na8 n LYS 603 N -1.43 -4.45 -2.26 -1.09 5.02 -0.80 -4.99 118.16 108.16 1na8 n LYS 603 Ca 0.03 0.53 -0.26 0.00 -2.02 0.00 0.00 58.31 56.59 1na8 n LYS 603 Cb 0.11 -5.08 0.15 0.00 -0.02 0.00 0.00 35.03 30.19 1na8 n LYS 603 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1na8 n GLU 604 N -4.44 -0.62 -2.31 1.97 1.02 -1.26 -4.82 120.64 110.18 1na8 n GLU 604 Ca -0.16 -2.41 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 1na8 n GLU 604 Cb 0.62 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 1na8 n GLU 604 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1na8 s LYS 605 N -5.43 4.26 0.14 3.49 2.36 -1.26 -4.76 119.74 118.54 1na8 s LYS 605 Ca 0.70 1.83 -0.30 0.00 -2.55 0.00 0.00 55.97 55.65 1na8 s LYS 605 Cb -0.03 -3.71 -0.07 0.00 -1.05 0.00 0.00 37.83 32.97 1na8 s LYS 605 CO 0.47 -0.65 1.08 0.08 1.55 0.00 0.00 175.35 177.88 1na8 s VAL 606 N 3.06 4.09 -0.05 4.02 1.01 -1.26 -5.01 120.40 126.26 1na8 s VAL 606 Ca 0.60 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 64.28 1na8 s VAL 606 Cb -0.27 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1na8 s VAL 606 CO 0.22 0.26 0.06 -0.13 0.00 0.00 0.00 175.10 175.50 1na8 s ARG 607 N -0.02 -0.04 0.16 2.72 0.52 -1.26 -4.59 118.95 116.43 1na8 s ARG 607 Ca 0.50 0.35 0.10 0.00 -0.52 0.00 0.00 55.73 56.17 1na8 s ARG 607 Cb -0.28 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 1na8 s ARG 607 CO 0.33 -0.34 -0.23 -1.17 0.02 0.00 0.00 175.30 173.90 1na8 s LEU 608 N 2.16 2.39 -0.09 2.53 0.20 0.54 -4.39 118.68 122.01 1na8 s LEU 608 Ca 0.05 -0.81 0.04 0.00 0.69 0.00 0.00 54.13 54.10 1na8 s LEU 608 Cb -0.12 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.57 1na8 s LEU 608 CO -0.03 0.10 -0.22 -0.60 -0.29 0.00 0.00 176.35 175.31 1na8 s ARG 609 N -2.42 2.79 0.16 1.98 3.52 -0.86 -0.37 118.95 123.74 1na8 s ARG 609 Ca 0.16 -0.79 0.09 0.00 -0.13 0.00 0.00 55.73 55.06 1na8 s ARG 609 Cb -0.08 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 1na8 s ARG 609 CO 0.07 0.14 -0.15 1.52 -0.81 0.00 0.00 175.30 176.07 1na8 s TYR 610 N 0.42 2.54 -0.22 5.12 -0.85 -0.29 -1.10 117.35 122.97 1na8 s TYR 610 Ca -0.18 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1na8 s TYR 610 Cb -0.17 -1.29 0.06 0.00 0.38 0.00 0.00 41.96 40.93 1na8 s TYR 610 CO 0.08 0.46 -0.04 0.21 -1.52 0.00 0.00 175.55 174.73 1na8 s LYS 611 N -2.51 1.48 -0.15 -3.49 2.47 -0.44 -2.01 119.74 115.09 1na8 s LYS 611 Ca 0.21 -0.85 -0.00 0.00 -1.56 0.00 0.00 55.97 53.77 1na8 s LYS 611 Cb -0.09 -2.45 -0.01 0.00 -1.46 0.00 0.00 37.83 33.81 1na8 s LYS 611 CO 0.12 -0.58 -0.13 -1.17 0.16 0.00 0.00 175.35 173.75 1na8 s LEU 612 N 1.49 2.66 0.06 5.43 2.96 0.77 -0.47 118.68 131.58 1na8 s LEU 612 Ca -0.04 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1na8 s LEU 612 Cb -0.18 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1na8 s LEU 612 CO -0.07 0.12 -0.14 0.42 -1.32 0.00 0.00 176.35 175.36 1na8 s THR 613 N 0.64 1.12 0.02 3.68 -4.23 -0.41 -0.85 115.64 115.61 1na8 s THR 613 Ca -0.07 -1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.95 1na8 s THR 613 Cb -0.15 -1.06 0.10 0.00 1.34 0.00 0.00 72.50 72.73 1na8 s THR 613 CO 0.03 -0.15 1.23 0.72 -0.54 0.00 0.00 174.62 175.90 1na8 s PHE 614 N -1.14 -0.01 -0.00 3.99 -0.12 -1.02 -1.02 117.98 118.65 1na8 s PHE 614 Ca -0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1na8 s PHE 614 Cb -0.09 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1na8 s PHE 614 CO 0.02 -0.40 -0.01 0.95 -0.05 0.00 0.00 175.22 175.72 1na8 s THR 615 N -2.33 0.12 -0.31 -4.49 -4.23 -0.28 -0.75 115.64 103.38 1na8 s THR 615 Ca 0.20 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1na8 s THR 615 Cb 0.02 -0.12 0.09 0.00 1.34 0.00 0.00 72.50 73.83 1na8 s THR 615 CO -0.01 0.04 0.03 -0.04 -0.54 0.00 0.00 174.62 174.10 1na8 s MET 616 N 0.01 1.40 7.76 3.99 -1.94 0.11 -1.18 119.30 129.46 1na8 s MET 616 Ca 0.00 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1na8 s MET 616 Cb -0.01 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1na8 s MET 616 CO -0.00 -0.87 0.00 0.41 -0.01 0.00 0.00 175.02 174.55 1na8 n GLY 617 N 4.45 3.33 0.52 -0.03 0.00 -1.26 -0.92 105.19 111.29 1na8 n GLY 617 Ca -0.01 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1na8 n GLY 617 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na8 n ASP 618 N 6.10 1.77 -4.72 1.61 8.00 -1.26 -4.89 116.55 123.16 1na8 n ASP 618 Ca 0.00 -1.44 -0.41 0.00 0.71 0.00 0.00 54.79 53.64 1na8 n ASP 618 Cb 0.00 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1na8 n ASP 618 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1na8 s GLN 619 N -2.21 4.61 -0.09 -1.24 -0.21 -0.09 -5.04 119.66 115.39 1na8 s GLN 619 Ca 0.29 1.41 -0.00 0.00 0.02 0.00 0.00 55.36 57.08 1na8 s GLN 619 Cb 0.20 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 1na8 s GLN 619 CO 0.41 0.07 -0.06 0.95 -2.12 0.00 0.00 175.29 174.54 1na8 s THR 620 N 0.55 3.74 -0.10 -0.19 -4.23 -1.26 -0.71 115.64 113.44 1na8 s THR 620 Ca 0.49 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1na8 s THR 620 Cb -0.22 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1na8 s THR 620 CO 0.28 0.58 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.40 1na8 s TYR 621 N -0.54 2.49 -0.52 3.99 1.51 0.07 -5.02 117.35 119.34 1na8 s TYR 621 Ca 0.08 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1na8 s TYR 621 Cb -0.12 -1.67 0.15 0.00 -0.11 0.00 0.00 41.96 40.21 1na8 s TYR 621 CO 0.02 -0.41 0.34 1.21 -1.11 0.00 0.00 175.55 175.60 1na8 s ASN 622 N 0.35 3.59 -0.00 2.29 2.47 -1.26 -2.45 114.94 119.93 1na8 s ASN 622 Ca -0.18 -3.14 0.01 0.00 0.42 0.00 0.00 52.86 49.97 1na8 s ASN 622 Cb -0.18 -1.14 -0.04 0.00 -1.45 0.00 0.00 41.25 38.45 1na8 s ASN 622 CO 0.09 -0.19 0.01 -1.61 -3.72 0.00 0.00 177.10 171.67 1na8 s GLU 623 N -0.33 2.80 0.13 0.43 0.41 -0.03 -4.99 118.70 117.13 1na8 s GLU 623 Ca 0.23 -0.60 0.04 0.00 -0.41 0.00 0.00 54.97 54.23 1na8 s GLU 623 Cb -0.12 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.50 1na8 s GLU 623 CO -0.09 0.63 -0.09 -1.64 -0.49 0.00 0.00 175.26 173.57 1na8 s MET 624 N -1.55 1.01 -0.01 1.61 -1.94 -1.26 -0.16 119.30 116.99 1na8 s MET 624 Ca 0.20 -1.42 -0.28 0.00 -1.71 0.00 0.00 55.69 52.47 1na8 s MET 624 Cb -0.12 -0.53 0.10 0.00 2.01 0.00 0.00 34.83 36.29 1na8 s MET 624 CO 0.10 0.06 1.28 0.20 -0.01 0.00 0.00 175.02 176.64 1na8 s GLY 625 N -3.12 -0.16 0.18 -0.03 0.00 -0.85 -4.98 107.32 98.36 1na8 s GLY 625 Ca 0.15 0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.11 1na8 s GLY 625 CO -0.01 4.55 -0.22 0.99 0.00 0.00 0.00 173.10 178.41 1na8 s ASP 626 N -3.65 3.22 -0.06 1.64 1.01 -1.26 -1.14 116.67 116.43 1na8 s ASP 626 Ca 0.26 -0.86 -0.00 0.00 0.71 0.00 0.00 52.55 52.66 1na8 s ASP 626 Cb 0.00 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.73 1na8 s ASP 626 CO -0.01 0.08 -0.03 -0.69 0.21 0.00 0.00 175.17 174.73 1na8 s VAL 627 N -1.76 0.55 -0.02 -1.27 1.01 0.50 -4.99 120.40 114.42 1na8 s VAL 627 Ca 0.19 -0.06 0.22 0.00 0.00 0.00 0.00 61.98 62.34 1na8 s VAL 627 Cb -0.07 -0.63 0.39 0.00 0.00 0.00 0.00 36.38 36.07 1na8 s VAL 627 CO 0.09 0.26 1.16 -0.90 0.00 0.00 0.00 175.10 175.71 1na8 n ASP 628 N 4.59 1.00 -2.83 3.32 3.85 -1.26 -0.34 116.55 124.88 1na8 n ASP 628 Ca -0.16 -2.20 -0.29 0.00 -0.71 0.00 0.00 54.79 51.43 1na8 n ASP 628 Cb 0.50 -0.32 -0.01 0.00 -1.35 0.00 0.00 41.12 39.95 1na8 n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1na8 n GLN 629 N 0.28 3.48 -3.07 0.11 6.02 -1.26 -4.95 117.38 118.00 1na8 n GLN 629 Ca 0.07 -4.61 -0.26 0.00 -0.01 0.00 0.00 57.00 52.18 1na8 n GLN 629 Cb 1.06 -2.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 1na8 n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1na8 s PHE 630 N -3.63 3.52 0.54 1.08 0.40 -1.26 -4.96 117.98 113.67 1na8 s PHE 630 Ca 0.48 0.61 -0.19 0.00 -0.60 0.00 0.00 56.93 57.23 1na8 s PHE 630 Cb 0.33 -2.11 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 1na8 s PHE 630 CO -0.18 -0.03 1.10 -1.25 0.70 0.00 0.00 175.22 175.56 1na8 s PRO 631 N -4.30 3.43 0.26 0.24 0.04 -1.26 -4.94 135.00 128.47 1na8 s PRO 631 Ca 0.44 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 1na8 s PRO 631 Cb -0.10 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1na8 s PRO 631 CO 0.38 -0.76 1.44 -0.35 0.04 0.00 0.00 177.00 177.75 1na8 n PRO 632 N -1.34 2.19 0.16 0.56 -0.04 -1.26 -4.83 135.00 130.45 1na8 n PRO 632 Ca 0.11 0.78 0.11 0.00 -0.04 0.00 0.00 63.50 64.46 1na8 n PRO 632 Cb 0.52 -2.46 0.59 0.00 -0.04 0.00 0.00 33.50 32.11 1na8 n PRO 632 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1na8 n PRO 633 N 1.93 0.15 0.20 0.54 -0.04 -1.26 -0.72 135.00 135.80 1na8 n PRO 633 Ca 0.10 0.62 0.06 0.00 -0.04 0.00 0.00 63.50 64.24 1na8 n PRO 633 Cb 0.33 -1.96 0.41 0.00 -0.04 0.00 0.00 33.50 32.24 1na8 n PRO 633 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1na8 h GLU 634 N 0.00 0.00 -0.70 0.54 3.07 -1.91 -2.91 114.58 112.67 1na8 h GLU 634 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1na8 h GLU 634 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1na8 h GLU 634 CO 0.00 0.33 0.00 0.25 -1.40 0.00 0.00 179.01 178.19 1na8 n THR 635 N -3.65 1.48 0.32 1.13 -2.24 0.10 -4.49 114.28 106.93 1na8 n THR 635 Ca -0.01 -1.10 0.16 0.00 -2.27 0.00 0.00 64.05 60.83 1na8 n THR 635 Cb 0.44 0.28 0.66 0.00 -2.10 0.00 0.00 70.33 69.61 1na8 n THR 635 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1na8 h TRP 636 N 4.23 0.00 -0.56 4.78 4.06 -1.58 -2.78 115.95 124.10 1na8 h TRP 636 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1na8 h TRP 636 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 1na8 h TRP 636 CO 0.66 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.95 1na8 n GLY 637 N -0.07 2.35 2.75 1.49 0.00 -1.26 -4.61 105.19 105.83 1na8 n GLY 637 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1na8 n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1na8 n SER 638 N 0.94 -2.87 -0.92 1.61 3.41 -1.05 -5.08 113.62 109.65 1na8 n SER 638 Ca 0.22 -3.18 0.11 0.00 -0.26 0.00 0.00 58.87 55.76 1na8 n SER 638 Cb 0.79 1.77 0.10 0.00 -0.26 0.00 0.00 64.21 66.61 1na8 n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06