#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf6 h LEU 499 N 0.00 0.00 0.00 2.45 3.38 -2.01 -3.51 115.31 115.62 3kf6 h LEU 499 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kf6 h LEU 499 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kf6 h LEU 499 CO 0.00 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.11 3kf6 n GLY 500 N 1.42 0.04 0.55 0.83 0.00 -1.26 -4.70 105.19 102.07 3kf6 n GLY 500 Ca -0.06 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.36 3kf6 n GLY 500 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kf6 n SER 501 N -0.93 1.68 -4.81 1.61 7.64 -1.26 -4.92 113.62 112.63 3kf6 n SER 501 Ca 0.00 -1.66 -0.34 0.00 1.01 0.00 0.00 58.87 57.88 3kf6 n SER 501 Cb 0.00 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3kf6 n SER 501 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3kf6 s ASP 502 N -1.69 6.99 0.07 6.43 -4.77 -1.26 -5.03 116.67 117.41 3kf6 s ASP 502 Ca 0.34 1.73 -0.23 0.00 -3.30 0.00 0.00 52.55 51.08 3kf6 s ASP 502 Cb 0.19 -2.55 -0.06 0.00 -1.09 0.00 0.00 42.92 39.40 3kf6 s ASP 502 CO 0.28 -0.32 0.70 -0.55 0.70 0.00 0.00 175.17 175.99 3kf6 s SER 503 N -2.06 7.19 0.43 2.11 0.15 -1.26 -5.03 113.70 115.23 3kf6 s SER 503 Ca 0.60 1.42 -0.23 0.00 0.70 0.00 0.00 55.95 58.44 3kf6 s SER 503 Cb -0.11 -2.44 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 3kf6 s SER 503 CO 0.15 0.13 1.08 0.00 1.20 0.00 0.00 173.24 175.80 3kf6 s ALA 504 N -0.55 3.01 -0.26 5.45 0.00 -1.26 -4.79 121.76 123.35 3kf6 s ALA 504 Ca 0.35 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 3kf6 s ALA 504 Cb -0.21 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3kf6 s ALA 504 CO 0.22 -0.36 0.50 0.15 0.00 0.00 0.00 175.76 176.27 3kf6 s LYS 505 N -2.70 4.06 -0.38 0.00 1.02 -0.64 -4.83 119.74 116.27 3kf6 s LYS 505 Ca 0.61 0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.62 3kf6 s LYS 505 Cb -0.23 -3.65 0.02 0.00 -0.52 0.00 0.00 37.83 33.45 3kf6 s LYS 505 CO 0.28 -0.35 1.06 -1.17 -0.92 0.00 0.00 175.35 174.25 3kf6 s LEU 506 N 2.29 3.85 0.32 3.17 2.96 -1.26 -0.96 118.68 129.05 3kf6 s LEU 506 Ca 0.21 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 54.92 3kf6 s LEU 506 Cb -0.16 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3kf6 s LEU 506 CO 0.09 -1.00 0.28 0.27 -1.32 0.00 0.00 176.35 174.67 3kf6 s ILE 507 N 3.87 0.00 0.25 6.68 -4.36 -0.61 -4.94 121.20 122.09 3kf6 s ILE 507 Ca 0.44 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 3kf6 s ILE 507 Cb -0.10 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 3kf6 s ILE 507 CO 0.21 0.00 0.40 -0.36 0.24 0.00 0.00 174.94 175.44 3kf6 s PHE 508 N -3.50 3.47 0.34 1.37 0.40 -1.26 -4.39 117.98 114.41 3kf6 s PHE 508 Ca 0.40 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3kf6 s PHE 508 Cb 0.03 -1.71 0.64 0.00 0.51 0.00 0.00 43.02 42.49 3kf6 s PHE 508 CO 0.25 0.36 1.96 0.82 0.70 0.00 0.00 175.22 179.31 3kf6 h ILE 509 N 1.19 1.07 0.00 0.64 2.04 -1.94 -0.71 117.51 119.80 3kf6 h ILE 509 Ca -0.50 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3kf6 h ILE 509 Cb 1.22 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3kf6 h ILE 509 CO 0.63 0.16 0.00 -0.46 0.00 0.00 0.00 178.15 178.48 3kf6 n ASN 510 N -4.47 0.00 -0.32 1.72 0.23 -1.26 -1.77 115.26 109.39 3kf6 n ASN 510 Ca 0.11 0.21 0.07 0.00 -0.53 0.00 0.00 54.58 54.44 3kf6 n ASN 510 Cb 0.17 -0.31 -0.01 0.00 -2.08 0.00 0.00 39.78 37.56 3kf6 n ASN 510 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kf6 n GLN 511 N -1.31 1.78 -0.34 -3.83 6.02 -0.28 -4.59 117.38 114.84 3kf6 n GLN 511 Ca 0.03 -0.73 0.04 0.00 -0.01 0.00 0.00 57.00 56.34 3kf6 n GLN 511 Cb 0.06 -1.23 0.20 0.00 1.02 0.00 0.00 30.24 30.29 3kf6 n GLN 511 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3kf6 h ILE 512 N 1.57 0.95 0.00 5.09 2.04 -1.36 0.01 117.51 125.82 3kf6 h ILE 512 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kf6 h ILE 512 Cb 0.50 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3kf6 h ILE 512 CO 0.00 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.91 3kf6 n ASN 513 N -4.64 0.00 -0.10 1.72 3.02 -1.26 -1.87 115.26 112.13 3kf6 n ASN 513 Ca 0.16 -0.38 0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3kf6 n ASN 513 Cb 0.29 -0.13 0.12 0.00 -0.61 0.00 0.00 39.78 39.45 3kf6 n ASN 513 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kf6 n ASP 514 N -1.13 0.95 -4.97 6.41 8.00 -0.01 -4.95 116.55 120.84 3kf6 n ASP 514 Ca 0.13 -0.76 -0.20 0.00 0.71 0.00 0.00 54.79 54.67 3kf6 n ASP 514 Cb 0.11 0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 3kf6 n ASP 514 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kf6 s LYS 516 N -4.07 4.22 0.34 0.00 1.02 -1.26 -4.99 119.74 115.00 3kf6 s LYS 516 Ca 0.39 0.89 -0.29 0.00 0.02 0.00 0.00 55.97 56.98 3kf6 s LYS 516 Cb -0.09 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.42 3kf6 s LYS 516 CO 0.30 0.28 1.43 -0.51 -0.92 0.00 0.00 175.35 175.93 3kf6 s ASP 517 N -1.86 6.51 0.00 2.83 1.01 -1.26 -2.22 116.67 121.68 3kf6 s ASP 517 Ca 0.48 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.64 3kf6 s ASP 517 Cb -0.14 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.13 3kf6 s ASP 517 CO 0.20 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.43 3kf6 n GLY 518 N 0.85 1.43 3.74 0.21 0.00 0.20 -4.96 105.19 106.65 3kf6 n GLY 518 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3kf6 n GLY 518 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kf6 s GLN 519 N -0.73 4.60 0.02 1.61 0.74 -0.94 -4.71 119.66 120.25 3kf6 s GLN 519 Ca 0.00 1.71 -0.30 0.00 0.05 0.00 0.00 55.36 56.82 3kf6 s GLN 519 Cb 0.00 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3kf6 s GLN 519 CO 0.00 0.08 0.99 0.21 -0.55 0.00 0.00 175.29 176.03 3kf6 s LYS 520 N -0.36 4.57 0.08 1.67 2.20 -1.26 -1.94 119.74 124.70 3kf6 s LYS 520 Ca 0.49 1.45 0.06 0.00 -0.36 0.00 0.00 55.97 57.61 3kf6 s LYS 520 Cb -0.29 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 3kf6 s LYS 520 CO 0.35 -0.02 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.65 3kf6 s LEU 521 N 0.84 2.27 -0.08 5.43 1.43 0.13 -1.62 118.68 127.07 3kf6 s LEU 521 Ca 0.52 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3kf6 s LEU 521 Cb -0.22 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3kf6 s LEU 521 CO 0.28 -0.04 -0.15 -0.60 0.23 0.00 0.00 176.35 176.08 3kf6 s ARG 522 N -1.73 2.07 0.17 1.70 3.52 -0.13 -1.41 118.95 123.13 3kf6 s ARG 522 Ca 0.00 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.91 3kf6 s ARG 522 Cb -0.10 -1.69 0.03 0.00 -1.56 0.00 0.00 34.95 31.63 3kf6 s ARG 522 CO 0.03 0.03 0.47 -0.59 -0.81 0.00 0.00 175.30 174.42 3kf6 s PHE 523 N 0.71 -0.10 -0.08 5.12 -0.71 -0.50 -1.57 117.98 120.84 3kf6 s PHE 523 Ca -0.13 -0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 3kf6 s PHE 523 Cb -0.16 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 3kf6 s PHE 523 CO 0.03 -0.83 -0.03 -1.17 -1.34 0.00 0.00 175.22 171.88 3kf6 s LEU 524 N -2.86 3.38 0.08 -1.99 2.96 -1.26 -0.44 118.68 118.55 3kf6 s LEU 524 Ca 0.08 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3kf6 s LEU 524 Cb 0.00 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3kf6 s LEU 524 CO -0.05 0.36 0.24 -0.83 -1.32 0.00 0.00 176.35 174.74 3kf6 s GLY 525 N -0.75 -0.00 -0.19 7.98 0.00 -0.52 -4.63 107.32 109.20 3kf6 s GLY 525 Ca 0.12 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 3kf6 s GLY 525 CO 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 173.10 172.62 3kf6 s VAL 527 N 0.47 3.39 -0.22 0.00 1.01 -0.12 -1.07 120.40 123.87 3kf6 s VAL 527 Ca 0.04 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.54 3kf6 s VAL 527 Cb -0.12 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 3kf6 s VAL 527 CO 0.00 -0.05 -0.14 1.67 0.00 0.00 0.00 175.10 176.59 3kf6 n GLN 528 N 7.31 0.70 -3.49 2.72 -0.06 -0.14 -0.09 117.38 124.33 3kf6 n GLN 528 Ca 0.18 0.10 -0.10 0.00 -2.00 0.00 0.00 57.00 55.18 3kf6 n GLN 528 Cb 0.42 -1.47 -0.03 0.00 -4.06 0.00 0.00 30.24 25.11 3kf6 n GLN 528 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3kf6 s SER 529 N -6.01 -0.43 -0.31 1.69 1.04 -1.18 -4.88 113.70 103.61 3kf6 s SER 529 Ca -0.26 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 3kf6 s SER 529 Cb 0.07 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.76 3kf6 s SER 529 CO 0.60 -0.66 0.28 -0.47 0.98 0.00 0.00 173.24 173.97 3kf6 s TYR 530 N -2.90 -0.22 -0.01 5.02 5.04 -1.26 -0.93 117.35 122.10 3kf6 s TYR 530 Ca 0.02 -0.54 -0.09 0.00 -2.44 0.00 0.00 57.07 54.02 3kf6 s TYR 530 Cb -0.01 -0.55 0.01 0.00 0.35 0.00 0.00 41.96 41.76 3kf6 s TYR 530 CO -0.07 -0.91 0.18 -1.59 -1.34 0.00 0.00 175.55 171.81 3kf6 s LYS 531 N 2.00 0.51 -1.55 4.97 -2.85 -0.44 -4.94 119.74 117.45 3kf6 s LYS 531 Ca 0.12 -0.31 -0.10 0.00 -1.00 0.00 0.00 55.97 54.68 3kf6 s LYS 531 Cb -0.15 0.22 0.08 0.00 -2.06 0.00 0.00 37.83 35.92 3kf6 s LYS 531 CO -0.24 -0.13 0.69 0.09 0.10 0.00 0.00 175.35 175.86 3kf6 n ASN 532 N 1.51 -2.41 0.00 0.03 5.03 -1.26 -0.32 115.26 117.84 3kf6 n ASN 532 Ca -0.22 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.27 3kf6 n ASN 532 Cb 0.56 -3.14 0.00 0.00 -1.02 0.00 0.00 39.78 36.18 3kf6 n ASN 532 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kf6 n GLY 533 N -1.68 0.34 3.24 7.41 0.00 -1.26 -4.98 105.19 108.27 3kf6 n GLY 533 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3kf6 n GLY 533 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kf6 s ILE 534 N -1.83 2.72 -0.24 -0.61 -1.09 0.56 -2.07 121.20 118.64 3kf6 s ILE 534 Ca 0.00 -0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 3kf6 s ILE 534 Cb 0.00 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 3kf6 s ILE 534 CO 0.00 0.49 0.08 -0.22 -1.23 0.00 0.00 174.94 174.07 3kf6 s LEU 535 N 1.14 3.57 -0.28 2.97 0.20 1.00 -1.33 118.68 125.95 3kf6 s LEU 535 Ca 0.01 -0.13 -0.11 0.00 0.69 0.00 0.00 54.13 54.59 3kf6 s LEU 535 Cb -0.14 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 3kf6 s LEU 535 CO -0.05 0.00 0.18 -0.60 -0.29 0.00 0.00 176.35 175.59 3kf6 s ARG 536 N 1.41 3.89 0.03 1.98 3.52 -0.10 0.33 118.95 130.00 3kf6 s ARG 536 Ca 0.06 -0.36 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 3kf6 s ARG 536 Cb -0.15 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 3kf6 s ARG 536 CO 0.04 -0.20 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.71 3kf6 s LEU 537 N 1.74 2.92 0.16 -0.88 1.43 -0.49 -0.97 118.68 122.59 3kf6 s LEU 537 Ca 0.07 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3kf6 s LEU 537 Cb -0.16 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3kf6 s LEU 537 CO 0.10 0.26 -0.08 0.27 0.23 0.00 0.00 176.35 177.14 3kf6 s ILE 538 N -0.98 1.11 -0.29 -0.59 -4.36 -0.23 -0.85 121.20 115.01 3kf6 s ILE 538 Ca 0.16 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 3kf6 s ILE 538 Cb -0.11 -1.96 0.16 0.00 1.25 0.00 0.00 42.46 41.81 3kf6 s ILE 538 CO 0.07 -0.65 0.43 -0.62 0.24 0.00 0.00 174.94 174.41 3kf6 s ASP 539 N -3.19 0.15 1.51 4.36 2.15 -0.46 -0.63 116.67 120.56 3kf6 s ASP 539 Ca 0.19 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.88 3kf6 s ASP 539 Cb 0.03 1.21 0.00 0.00 -0.30 0.00 0.00 42.92 43.87 3kf6 s ASP 539 CO 0.02 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3kf6 n GLY 540 N 5.36 2.27 0.39 2.66 0.00 -1.26 -2.05 105.19 112.56 3kf6 n GLY 540 Ca 0.01 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.82 3kf6 n GLY 540 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kf6 n SER 541 N 6.62 1.29 -4.94 1.61 3.41 -1.26 -4.91 113.62 115.44 3kf6 n SER 541 Ca 0.00 -1.26 -0.25 0.00 -0.26 0.00 0.00 58.87 57.10 3kf6 n SER 541 Cb 0.00 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3kf6 n SER 541 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kf6 s SER 542 N -2.18 6.34 0.16 4.04 1.04 -0.87 -5.11 113.70 117.12 3kf6 s SER 542 Ca 0.33 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 3kf6 s SER 542 Cb 0.20 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 64.35 3kf6 s SER 542 CO 0.40 -0.15 0.42 -0.94 0.98 0.00 0.00 173.24 173.95 3kf6 s SER 543 N -3.65 -0.16 -0.11 7.02 1.04 -1.26 -1.35 113.70 115.23 3kf6 s SER 543 Ca 0.38 -0.54 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 3kf6 s SER 543 Cb -0.10 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.57 3kf6 s SER 543 CO 0.32 -0.95 0.45 0.54 0.98 0.00 0.00 173.24 174.58 3kf6 s VAL 544 N -3.88 0.02 -0.24 5.02 0.11 -0.03 -4.93 120.40 116.46 3kf6 s VAL 544 Ca 0.09 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.86 3kf6 s VAL 544 Cb 0.01 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3kf6 s VAL 544 CO -0.05 -0.08 0.34 -0.89 -3.33 0.00 0.00 175.10 171.09 3kf6 s THR 545 N -0.41 5.22 -0.18 5.04 2.01 -0.10 -1.40 115.64 125.83 3kf6 s THR 545 Ca -0.05 0.53 -0.02 0.00 0.31 0.00 0.00 61.69 62.45 3kf6 s THR 545 Cb -0.03 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3kf6 s THR 545 CO 0.03 0.22 -0.08 0.00 -0.69 0.00 0.00 174.62 174.10 3kf6 s ASP 547 N 0.91 6.51 -0.12 0.00 -1.08 0.07 -0.00 116.67 122.95 3kf6 s ASP 547 Ca -0.02 0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.37 3kf6 s ASP 547 Cb -0.15 -2.41 0.36 0.00 -1.46 0.00 0.00 42.92 39.27 3kf6 s ASP 547 CO 0.00 -0.84 1.26 1.33 0.52 0.00 0.00 175.17 177.44 3kf6 n VAL 548 N 6.01 1.85 -0.34 1.11 0.24 -0.88 -1.87 118.33 124.45 3kf6 n VAL 548 Ca 0.04 -1.82 0.11 0.00 -2.04 0.00 0.00 64.34 60.63 3kf6 n VAL 548 Cb 0.48 -0.08 0.29 0.00 -1.47 0.00 0.00 33.84 33.06 3kf6 n VAL 548 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3kf6 h THR 549 N 1.00 0.74 0.00 3.34 2.02 -1.90 -1.23 112.91 116.87 3kf6 h THR 549 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3kf6 h THR 549 Cb 1.10 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3kf6 h THR 549 CO 0.09 0.14 -0.50 1.33 0.37 0.00 0.00 175.52 176.95 3kf6 n VAL 550 N -4.77 0.41 -2.73 3.16 0.24 -1.26 -4.25 118.33 109.13 3kf6 n VAL 550 Ca 0.21 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.34 61.99 3kf6 n VAL 550 Cb 0.51 -0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 32.65 3kf6 n VAL 550 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3kf6 n VAL 551 N -2.16 2.30 -1.96 3.34 3.14 -0.49 -5.06 118.33 117.45 3kf6 n VAL 551 Ca 0.04 -4.97 -0.42 0.00 -2.96 0.00 0.00 64.34 56.02 3kf6 n VAL 551 Cb 0.44 -1.05 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 3kf6 n VAL 551 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3kf6 s LEU 552 N -3.39 4.28 0.54 6.55 1.02 -1.06 -4.95 118.68 121.68 3kf6 s LEU 552 Ca 0.46 2.24 -0.22 0.00 0.02 0.00 0.00 54.13 56.63 3kf6 s LEU 552 Cb 0.36 -3.53 -0.05 0.00 0.02 0.00 0.00 46.19 42.99 3kf6 s LEU 552 CO -0.14 -1.00 1.35 -2.84 0.02 0.00 0.00 176.35 173.74 3kf6 s PRO 553 N 4.22 3.15 -0.05 1.29 0.02 -1.26 -4.90 135.00 137.47 3kf6 s PRO 553 Ca 0.76 2.22 0.10 0.00 0.02 0.00 0.00 61.00 64.10 3kf6 s PRO 553 Cb -0.34 -2.26 0.36 0.00 0.02 0.00 0.00 34.50 32.28 3kf6 s PRO 553 CO 0.31 -1.17 1.21 -0.40 -0.33 0.00 0.00 177.00 176.62 3kf6 n ASP 554 N -1.02 2.56 -3.95 2.53 3.85 -1.26 -4.81 116.55 114.46 3kf6 n ASP 554 Ca 0.10 -2.19 -0.10 0.00 -0.71 0.00 0.00 54.79 51.89 3kf6 n ASP 554 Cb 0.45 -0.39 -0.12 0.00 -1.35 0.00 0.00 41.12 39.71 3kf6 n ASP 554 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3kf6 s VAL 555 N -1.66 0.09 0.49 2.12 -7.23 -1.26 -5.14 120.40 107.81 3kf6 s VAL 555 Ca 0.26 -0.67 -0.23 0.00 -1.81 0.00 0.00 61.98 59.53 3kf6 s VAL 555 Cb 0.16 -0.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.83 3kf6 s VAL 555 CO 0.13 -0.36 1.29 -0.44 -0.31 0.00 0.00 175.10 175.41 3kf6 s SER 556 N -1.07 5.80 -0.18 4.85 0.01 -1.26 -5.01 113.70 116.83 3kf6 s SER 556 Ca -0.12 2.60 -0.08 0.00 1.31 0.00 0.00 55.95 59.66 3kf6 s SER 556 Cb -0.07 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3kf6 s SER 556 CO -0.01 -1.20 0.08 -0.63 0.41 0.00 0.00 173.24 171.89 3kf6 s ILE 557 N -1.37 4.95 -0.07 1.44 1.01 -1.26 -5.09 121.20 120.81 3kf6 s ILE 557 Ca 0.66 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.20 3kf6 s ILE 557 Cb -0.36 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3kf6 s ILE 557 CO 0.44 0.47 0.32 -1.58 0.00 0.00 0.00 174.94 174.59 3kf6 s GLN 558 N 0.25 3.90 0.35 2.79 0.74 -1.26 -5.04 119.66 121.38 3kf6 s GLN 558 Ca 0.05 0.20 -0.28 0.00 0.05 0.00 0.00 55.36 55.38 3kf6 s GLN 558 Cb -0.12 -3.27 -0.12 0.00 1.10 0.00 0.00 33.01 30.60 3kf6 s GLN 558 CO -0.00 0.58 1.39 1.17 -0.55 0.00 0.00 175.29 177.88 3kf6 n LYS 559 N 2.35 2.35 -0.94 1.67 4.81 -1.26 -1.89 118.16 125.25 3kf6 n LYS 559 Ca -0.15 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3kf6 n LYS 559 Cb 0.53 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3kf6 n LYS 559 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kf6 n HIS 560 N 0.57 0.00 -2.52 5.64 8.25 0.87 -4.96 115.22 123.08 3kf6 n HIS 560 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 3kf6 n HIS 560 Cb 0.37 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 3kf6 n HIS 560 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3kf6 s GLU 561 N -0.27 3.90 -0.13 -0.41 -1.05 -0.79 -4.58 118.70 115.37 3kf6 s GLU 561 Ca 0.00 0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 55.52 3kf6 s GLU 561 Cb 0.00 -2.21 -0.05 0.00 -0.44 0.00 0.00 34.13 31.44 3kf6 s GLU 561 CO 0.00 -0.21 0.23 -1.58 0.95 0.00 0.00 175.26 174.65 3kf6 s TRP 562 N -2.56 3.54 0.04 4.83 0.52 -1.26 -0.94 118.94 123.11 3kf6 s TRP 562 Ca 0.57 0.59 0.06 0.00 0.02 0.00 0.00 56.10 57.34 3kf6 s TRP 562 Cb -0.10 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3kf6 s TRP 562 CO 0.32 0.48 -0.18 -0.51 0.02 0.00 0.00 176.95 177.08 3kf6 s LEU 563 N -0.30 2.16 -0.12 2.99 1.43 -0.01 -1.33 118.68 123.50 3kf6 s LEU 563 Ca 0.16 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3kf6 s LEU 563 Cb -0.13 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 3kf6 s LEU 563 CO 0.04 0.11 0.31 0.20 0.23 0.00 0.00 176.35 177.25 3kf6 s ASN 564 N -1.11 6.53 -0.03 2.29 0.01 0.97 -1.44 114.94 122.15 3kf6 s ASN 564 Ca 0.05 0.62 0.05 0.00 -0.71 0.00 0.00 52.86 52.87 3kf6 s ASN 564 Cb -0.08 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 3kf6 s ASN 564 CO 0.01 0.19 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.99 3kf6 s ILE 565 N -0.09 1.41 -0.12 0.60 -1.09 0.42 -1.92 121.20 120.42 3kf6 s ILE 565 Ca 0.18 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3kf6 s ILE 565 Cb -0.14 -1.20 0.01 0.00 -1.58 0.00 0.00 42.46 39.55 3kf6 s ILE 565 CO 0.06 0.41 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.33 3kf6 s VAL 566 N -0.10 1.60 0.17 2.92 1.01 -0.70 -1.41 120.40 123.89 3kf6 s VAL 566 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3kf6 s VAL 566 Cb -0.10 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3kf6 s VAL 566 CO 0.01 0.46 0.54 0.61 0.00 0.00 0.00 175.10 176.72 3kf6 n GLY 567 N 4.24 1.14 3.42 4.51 0.00 -0.50 -0.45 105.19 117.54 3kf6 n GLY 567 Ca -0.19 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 3kf6 n GLY 567 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kf6 s ARG 568 N -2.04 2.63 0.01 1.61 0.52 -0.15 0.18 118.95 121.72 3kf6 s ARG 568 Ca 0.11 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 3kf6 s ARG 568 Cb -0.02 -2.37 -0.06 0.00 0.52 0.00 0.00 34.95 33.02 3kf6 s ARG 568 CO 0.05 0.52 1.42 0.21 0.02 0.00 0.00 175.30 177.52 3kf6 s LYS 569 N -0.46 4.28 -0.15 3.54 2.20 -0.82 -0.30 119.74 128.03 3kf6 s LYS 569 Ca 0.06 2.00 -0.18 0.00 -0.36 0.00 0.00 55.97 57.49 3kf6 s LYS 569 Cb -0.12 -3.55 -0.24 0.00 -1.51 0.00 0.00 37.83 32.41 3kf6 s LYS 569 CO 0.02 -0.58 0.43 -0.09 -0.36 0.00 0.00 175.35 174.77 3kf6 h ARG 570 N 7.79 0.13 -2.33 4.03 2.43 -1.46 0.56 114.38 125.54 3kf6 h ARG 570 Ca -0.39 -0.22 0.20 0.00 -0.81 0.00 0.00 59.98 58.76 3kf6 h ARG 570 Cb 1.18 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 3kf6 h ARG 570 CO 0.90 1.11 0.60 1.14 -1.51 0.00 0.00 179.97 182.21 3kf6 s GLN 571 N -2.42 1.12 0.16 0.20 -2.07 -1.21 -4.72 119.66 110.73 3kf6 s GLN 571 Ca -0.23 -0.69 -0.34 0.00 -1.82 0.00 0.00 55.36 52.28 3kf6 s GLN 571 Cb 0.04 0.34 -0.15 0.00 -1.09 0.00 0.00 33.01 32.15 3kf6 s GLN 571 CO 0.69 -0.52 1.33 -0.25 -1.32 0.00 0.00 175.29 175.22 3kf6 n ASP 572 N -0.91 1.96 0.00 12.60 8.00 -1.26 -1.49 116.55 135.45 3kf6 n ASP 572 Ca -0.04 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.59 3kf6 n ASP 572 Cb 0.60 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 3kf6 n ASP 572 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kf6 n GLY 573 N 2.41 0.63 2.88 0.44 0.00 -1.26 -5.00 105.19 105.29 3kf6 n GLY 573 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3kf6 n GLY 573 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kf6 s ILE 574 N -2.78 0.46 -0.07 -0.61 -1.16 -0.56 -0.92 121.20 115.57 3kf6 s ILE 574 Ca 0.00 -0.09 0.03 0.00 -0.51 0.00 0.00 60.65 60.08 3kf6 s ILE 574 Cb 0.00 -0.50 0.00 0.00 0.61 0.00 0.00 42.46 42.58 3kf6 s ILE 574 CO 0.00 0.20 -0.16 -0.69 -2.81 0.00 0.00 174.94 171.48 3kf6 s VAL 575 N 0.87 1.43 -0.41 4.00 1.01 0.14 -1.07 120.40 126.37 3kf6 s VAL 575 Ca -0.11 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3kf6 s VAL 575 Cb -0.14 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3kf6 s VAL 575 CO -0.00 0.42 0.75 -1.81 0.00 0.00 0.00 175.10 174.46 3kf6 s ASP 576 N 0.39 6.45 0.21 3.32 1.01 0.59 -0.75 116.67 127.88 3kf6 s ASP 576 Ca -0.12 0.05 -0.30 0.00 0.71 0.00 0.00 52.55 52.89 3kf6 s ASP 576 Cb -0.15 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 3kf6 s ASP 576 CO 0.04 -0.80 1.18 -0.69 0.21 0.00 0.00 175.17 175.11 3kf6 s VAL 577 N 3.11 3.52 -0.08 -1.27 1.01 -0.78 -0.97 120.40 124.93 3kf6 s VAL 577 Ca 0.29 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.64 3kf6 s VAL 577 Cb -0.13 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3kf6 s VAL 577 CO 0.19 0.25 -0.04 0.18 0.00 0.00 0.00 175.10 175.68 3kf6 n LEU 578 N 2.10 1.90 -3.86 3.92 4.77 0.41 -4.77 117.00 121.46 3kf6 n LEU 578 Ca 0.03 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3kf6 n LEU 578 Cb 0.45 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 3kf6 n LEU 578 CO 0.55 0.47 -0.29 -0.76 -1.33 0.00 0.00 177.39 176.03 3kf6 s LEU 579 N -5.14 1.79 -0.02 2.23 1.43 -0.44 -5.00 118.68 113.53 3kf6 s LEU 579 Ca -0.09 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3kf6 s LEU 579 Cb 0.03 0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.48 3kf6 s LEU 579 CO 0.23 -0.06 -0.06 -0.63 0.23 0.00 0.00 176.35 176.05 3kf6 s ILE 580 N -0.17 0.57 -0.07 -0.59 1.01 -1.26 -1.71 121.20 118.98 3kf6 s ILE 580 Ca -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3kf6 s ILE 580 Cb -0.02 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.96 3kf6 s ILE 580 CO 0.00 0.19 0.23 -0.13 0.00 0.00 0.00 174.94 175.23 3kf6 s ARG 581 N 0.18 0.36 0.30 2.79 1.81 -0.81 -4.99 118.95 118.59 3kf6 s ARG 581 Ca -0.02 0.16 -0.29 0.00 -1.72 0.00 0.00 55.73 53.86 3kf6 s ARG 581 Cb -0.07 0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.50 3kf6 s ARG 581 CO -0.00 -0.06 1.17 0.45 -0.68 0.00 0.00 175.30 176.17 3kf6 s SER 582 N -0.28 7.10 -0.32 0.23 0.15 -1.26 -0.02 113.70 119.31 3kf6 s SER 582 Ca -0.04 2.41 0.08 0.00 0.70 0.00 0.00 55.95 59.10 3kf6 s SER 582 Cb -0.03 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.15 3kf6 s SER 582 CO 0.01 -0.27 1.49 0.00 1.20 0.00 0.00 173.24 175.67 3kf6 n ALA 583 N 1.08 4.53 -1.67 5.45 0.00 -0.44 -4.77 120.51 124.68 3kf6 n ALA 583 Ca -0.01 -3.21 -0.45 0.00 0.00 0.00 0.00 53.44 49.78 3kf6 n ALA 583 Cb 0.44 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3kf6 n ALA 583 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kf6 n VAL 584 N -1.10 1.16 -0.98 0.00 3.14 -1.26 -1.71 118.33 117.59 3kf6 n VAL 584 Ca 0.36 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3kf6 n VAL 584 Cb 1.04 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 3kf6 n VAL 584 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kf6 n GLY 585 N 1.89 0.89 3.77 7.55 0.00 -1.26 -5.00 105.19 113.02 3kf6 n GLY 585 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3kf6 n GLY 585 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kf6 s ILE 586 N -3.61 2.69 -0.86 -0.61 2.07 -0.69 -4.92 121.20 115.27 3kf6 s ILE 586 Ca 0.00 0.58 -0.23 0.00 -1.41 0.00 0.00 60.65 59.60 3kf6 s ILE 586 Cb 0.00 -3.33 0.07 0.00 0.13 0.00 0.00 42.46 39.33 3kf6 s ILE 586 CO 0.00 0.06 1.22 0.21 -1.91 0.00 0.00 174.94 174.52 3kf6 s ASN 587 N -0.91 6.39 0.21 4.50 3.84 -1.26 -4.90 114.94 122.81 3kf6 s ASN 587 Ca 0.60 -1.29 -0.09 0.00 0.21 0.00 0.00 52.86 52.29 3kf6 s ASN 587 Cb -0.36 -2.49 0.30 0.00 -0.55 0.00 0.00 41.25 38.15 3kf6 s ASN 587 CO 0.45 -1.45 1.74 -0.07 -2.79 0.00 0.00 177.10 174.98 3kf6 h LEU 588 N 11.92 0.23 -0.80 3.21 3.38 -1.98 -0.28 115.31 130.99 3kf6 h LEU 588 Ca -0.02 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kf6 h LEU 588 Cb 1.04 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3kf6 h LEU 588 CO 1.26 0.13 0.52 -0.65 0.09 0.00 0.00 178.44 179.79 3kf6 h PRO 589 N 0.42 1.01 -0.23 1.13 0.11 -2.00 -0.01 132.00 132.43 3kf6 h PRO 589 Ca 0.32 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.17 3kf6 h PRO 589 Cb 0.40 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3kf6 h PRO 589 CO -0.32 0.67 -0.62 0.00 -0.21 0.00 0.00 178.00 177.52 3kf6 h ARG 590 N 1.04 0.79 -0.20 1.05 2.47 -1.88 -2.11 114.38 115.53 3kf6 h ARG 590 Ca 0.30 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3kf6 h ARG 590 Cb -0.06 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3kf6 h ARG 590 CO -0.09 1.17 0.13 -0.92 0.56 0.00 0.00 179.97 180.82 3kf6 h TYR 591 N 0.59 0.26 -0.18 3.04 5.03 -0.69 -1.41 116.97 123.61 3kf6 h TYR 591 Ca -0.01 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 3kf6 h TYR 591 Cb 1.22 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 3kf6 h TYR 591 CO 0.07 0.19 -0.25 0.07 -1.32 0.00 0.00 178.16 176.92 3kf6 h ARG 592 N 0.26 0.33 -0.38 1.82 0.11 -1.00 -1.35 114.38 114.16 3kf6 h ARG 592 Ca 0.07 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3kf6 h ARG 592 Cb -0.00 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 3kf6 h ARG 592 CO -0.01 0.57 0.24 0.37 0.10 0.00 0.00 179.97 181.23 3kf6 h GLN 593 N 0.30 0.50 -0.13 0.08 4.15 -1.02 -1.49 115.11 117.50 3kf6 h GLN 593 Ca 0.05 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3kf6 h GLN 593 Cb 0.61 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3kf6 h GLN 593 CO 0.04 0.36 -0.55 0.52 -1.93 0.00 0.00 178.83 177.27 3kf6 h MET 594 N 0.50 0.38 -0.49 1.69 2.86 -0.93 -0.89 114.93 118.05 3kf6 h MET 594 Ca 0.14 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3kf6 h MET 594 Cb -0.03 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kf6 h MET 594 CO -0.03 0.83 0.16 0.28 1.06 0.00 0.00 176.91 179.21 3kf6 h VAL 595 N 0.29 1.22 -0.32 -2.22 2.07 -1.05 -0.50 116.25 115.75 3kf6 h VAL 595 Ca 0.00 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3kf6 h VAL 595 Cb 1.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3kf6 h VAL 595 CO 0.09 0.27 0.10 0.28 0.02 0.00 0.00 177.57 178.33 3kf6 h SER 596 N 0.65 0.47 -0.78 0.57 0.02 -1.14 -2.73 113.55 110.62 3kf6 h SER 596 Ca 0.16 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3kf6 h SER 596 Cb 0.25 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 3kf6 h SER 596 CO -0.01 0.55 0.46 -0.33 -1.14 0.00 0.00 176.83 176.37 3kf6 h GLU 597 N 0.36 1.06 -0.04 3.45 4.39 -0.96 -1.85 114.58 121.00 3kf6 h GLU 597 Ca 0.10 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3kf6 h GLU 597 Cb 0.25 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3kf6 h GLU 597 CO -0.00 0.76 -0.11 0.00 -1.16 0.00 0.00 179.01 178.49 3kf6 h ARG 598 N 1.07 0.06 0.00 2.33 3.08 -0.97 0.23 114.38 120.18 3kf6 h ARG 598 Ca 0.28 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 60.13 3kf6 h ARG 598 Cb -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3kf6 h ARG 598 CO -0.05 0.18 -0.88 1.96 -1.07 0.00 0.00 179.97 180.10 3kf6 h GLN 599 N 0.06 0.00 0.00 0.04 4.20 -1.09 -3.34 115.11 114.98 3kf6 h GLN 599 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 3kf6 h GLN 599 Cb 0.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3kf6 h GLN 599 CO 0.02 0.88 -1.59 0.87 -0.67 0.00 0.00 178.83 178.34 3kf6 h LYS 600 N 0.00 0.00 -6.04 1.46 1.57 -0.62 -3.46 116.57 109.48 3kf6 h LYS 600 Ca -0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 3kf6 h LYS 600 Cb 1.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.84 3kf6 h LYS 600 CO 0.11 0.44 -0.07 0.00 -0.57 0.00 0.00 179.45 179.36