#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzj s GLN 2 N 0.00 2.49 -0.10 0.38 -1.52 -1.26 -3.10 119.66 116.56 1fzj s GLN 2 Ca 0.00 -1.27 0.02 0.00 -1.95 0.00 0.00 55.36 52.16 1fzj s GLN 2 Cb 0.00 -3.36 0.02 0.00 -0.22 0.00 0.00 33.01 29.45 1fzj s GLN 2 CO 0.00 -0.68 -0.14 0.15 -0.25 0.00 0.00 175.29 174.37 1fzj s LYS 3 N 1.32 2.03 0.19 2.91 1.02 0.08 -4.96 119.74 122.33 1fzj s LYS 3 Ca -0.02 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 1fzj s LYS 3 Cb -0.20 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.27 1fzj s LYS 3 CO 0.01 -0.07 1.14 0.99 -0.92 0.00 0.00 175.35 176.50 1fzj s THR 4 N 1.01 3.71 0.36 2.17 2.01 -1.26 -2.51 115.64 121.13 1fzj s THR 4 Ca -0.07 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.14 1fzj s THR 4 Cb -0.15 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1fzj s THR 4 CO -0.01 0.25 1.17 -2.16 -0.69 0.00 0.00 174.62 173.18 1fzj s PRO 5 N -0.36 4.24 -0.12 4.92 0.04 -1.26 -4.52 135.00 137.94 1fzj s PRO 5 Ca 0.51 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1fzj s PRO 5 Cb -0.31 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1fzj s PRO 5 CO 0.36 -0.17 0.38 -0.65 0.04 0.00 0.00 177.00 176.96 1fzj s GLN 6 N -2.03 4.21 -0.20 4.56 -1.52 0.54 -4.89 119.66 120.33 1fzj s GLN 6 Ca 0.53 0.28 0.01 0.00 -1.95 0.00 0.00 55.36 54.23 1fzj s GLN 6 Cb -0.32 -3.39 0.03 0.00 -0.22 0.00 0.00 33.01 29.11 1fzj s GLN 6 CO 0.41 0.30 -0.18 0.42 -0.25 0.00 0.00 175.29 175.99 1fzj s ILE 7 N 0.23 2.15 -0.09 1.08 1.01 -1.26 -0.51 121.20 123.80 1fzj s ILE 7 Ca 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1fzj s ILE 7 Cb -0.14 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1fzj s ILE 7 CO 0.08 0.43 -0.23 -1.10 0.00 0.00 0.00 174.94 174.13 1fzj s GLN 8 N 1.27 2.86 -0.13 2.79 -0.21 -0.44 -4.98 119.66 120.81 1fzj s GLN 8 Ca 0.03 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.60 1fzj s GLN 8 Cb -0.14 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1fzj s GLN 8 CO -0.11 0.18 -0.22 0.08 -2.12 0.00 0.00 175.29 173.10 1fzj s VAL 9 N 0.34 2.11 0.07 1.09 1.01 -1.26 -0.01 120.40 123.75 1fzj s VAL 9 Ca -0.17 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.57 1fzj s VAL 9 Cb -0.17 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.44 1fzj s VAL 9 CO 0.08 0.55 0.65 -0.72 0.00 0.00 0.00 175.10 175.66 1fzj s TYR 10 N 0.67 -0.57 0.22 5.22 1.13 0.08 -4.66 117.35 119.44 1fzj s TYR 10 Ca -0.10 0.62 0.01 0.00 -1.41 0.00 0.00 57.07 56.18 1fzj s TYR 10 Cb -0.16 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1fzj s TYR 10 CO 0.01 -0.74 0.40 -1.54 -2.51 0.00 0.00 175.55 171.17 1fzj s SER 11 N -2.15 6.36 0.14 -0.18 1.04 -1.26 0.47 113.70 118.12 1fzj s SER 11 Ca -0.03 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.61 1fzj s SER 11 Cb -0.01 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 1fzj s SER 11 CO -0.04 -0.08 1.55 -0.09 0.98 0.00 0.00 173.24 175.56 1fzj h ARG 12 N 1.71 0.83 -6.40 4.02 9.65 -1.28 -3.45 114.38 119.47 1fzj h ARG 12 Ca -0.49 -0.31 -0.63 0.00 -1.10 0.00 0.00 59.98 57.46 1fzj h ARG 12 Cb 1.20 -0.05 -0.15 0.00 -1.39 0.00 0.00 29.97 29.57 1fzj h ARG 12 CO 0.66 0.94 -0.77 -1.01 2.80 0.00 0.00 179.97 182.59 1fzj s HIS 13 N -4.83 2.37 0.32 2.20 3.76 -1.26 -5.03 115.29 112.82 1fzj s HIS 13 Ca -0.12 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.17 1fzj s HIS 13 Cb 0.11 -1.10 -0.11 0.00 1.11 0.00 0.00 32.58 32.58 1fzj s HIS 13 CO 0.83 0.60 1.57 -2.14 -0.85 0.00 0.00 174.74 174.75 1fzj s PRO 14 N -3.11 4.11 0.27 8.40 0.02 -1.26 -4.85 135.00 138.57 1fzj s PRO 14 Ca 0.26 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 1fzj s PRO 14 Cb -0.07 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.35 1fzj s PRO 14 CO 0.13 -0.62 1.40 -1.25 -0.33 0.00 0.00 177.00 176.33 1fzj s PRO 15 N -1.00 4.29 -0.13 5.54 0.04 -1.26 -5.01 135.00 137.47 1fzj s PRO 15 Ca 0.60 2.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.89 1fzj s PRO 15 Cb -0.48 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.01 1fzj s PRO 15 CO 0.53 -0.35 0.04 -1.21 0.04 0.00 0.00 177.00 176.05 1fzj s GLU 16 N -0.81 0.41 0.24 4.56 2.02 -1.26 -5.12 118.70 118.74 1fzj s GLU 16 Ca 0.56 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.16 1fzj s GLU 16 Cb -0.41 -1.52 -0.15 0.00 0.10 0.00 0.00 34.13 32.15 1fzj s GLU 16 CO 0.46 -0.51 1.11 0.09 0.02 0.00 0.00 175.26 176.43 1fzj n ASN 17 N 5.16 1.47 0.00 -0.19 3.02 -1.26 -1.61 115.26 121.86 1fzj n ASN 17 Ca -0.07 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1fzj n ASN 17 Cb 0.49 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1fzj n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzj n GLY 18 N 1.61 1.83 3.51 7.41 0.00 0.12 -5.00 105.19 114.68 1fzj n GLY 18 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1fzj n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzj s LYS 19 N -0.23 3.50 0.43 1.61 2.20 -0.63 -4.99 119.74 121.63 1fzj s LYS 19 Ca 0.00 -0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 54.84 1fzj s LYS 19 Cb 0.00 -2.84 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 1fzj s LYS 19 CO 0.00 0.32 1.05 -2.30 -0.36 0.00 0.00 175.35 174.05 1fzj n PRO 20 N 3.30 1.41 -2.50 4.03 -0.02 -1.26 -4.19 135.00 135.76 1fzj n PRO 20 Ca -0.18 0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 61.75 1fzj n PRO 20 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1fzj n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fzj n ASN 21 N 0.39 -0.88 -3.89 2.55 2.85 0.41 -4.97 115.26 111.72 1fzj n ASN 21 Ca 0.09 -1.82 -0.21 0.00 -0.11 0.00 0.00 54.58 52.53 1fzj n ASN 21 Cb 0.40 1.53 -0.16 0.00 1.24 0.00 0.00 39.78 42.78 1fzj n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fzj s ILE 22 N -2.60 0.57 -0.15 -1.44 1.01 -1.26 -1.43 121.20 115.91 1fzj s ILE 22 Ca 0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1fzj s ILE 22 Cb -0.01 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1fzj s ILE 22 CO 0.08 0.24 0.16 -0.22 0.00 0.00 0.00 174.94 175.19 1fzj s LEU 23 N 0.99 4.32 0.01 2.97 2.96 -0.26 -0.65 118.68 129.01 1fzj s LEU 23 Ca -0.10 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1fzj s LEU 23 Cb -0.14 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1fzj s LEU 23 CO -0.00 0.30 -0.23 0.20 -1.32 0.00 0.00 176.35 175.30 1fzj s ASN 24 N -0.44 2.77 -0.26 3.68 0.01 0.18 -1.85 114.94 119.02 1fzj s ASN 24 Ca 0.13 -0.47 -0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1fzj s ASN 24 Cb -0.12 -0.28 0.08 0.00 0.41 0.00 0.00 41.25 41.34 1fzj s ASN 24 CO 0.02 0.26 0.02 0.00 -1.51 0.00 0.00 177.10 175.90 1fzj s TYR 26 N 1.50 3.21 -0.24 0.00 5.04 0.98 -1.14 117.35 126.70 1fzj s TYR 26 Ca 0.02 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 1fzj s TYR 26 Cb -0.18 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 1fzj s TYR 26 CO -0.13 -0.19 0.02 0.08 -1.34 0.00 0.00 175.55 173.99 1fzj s VAL 27 N 1.74 3.92 0.30 3.14 1.01 -0.32 -1.33 120.40 128.87 1fzj s VAL 27 Ca 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1fzj s VAL 27 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1fzj s VAL 27 CO 0.10 0.37 0.12 0.42 0.00 0.00 0.00 175.10 176.11 1fzj s THR 28 N 1.56 0.57 -1.41 3.92 -4.23 0.33 -1.19 115.64 115.19 1fzj s THR 28 Ca 0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1fzj s THR 28 Cb -0.15 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.16 1fzj s THR 28 CO 0.01 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 174.70 1fzj n GLN 29 N -0.60 -4.29 -4.20 3.99 6.02 -0.46 -0.34 117.38 117.49 1fzj n GLN 29 Ca -0.01 0.64 -0.23 0.00 -0.01 0.00 0.00 57.00 57.40 1fzj n GLN 29 Cb 0.66 -5.44 -0.06 0.00 1.02 0.00 0.00 30.24 26.42 1fzj n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1fzj s PHE 30 N -3.07 2.78 -0.29 1.08 -0.71 -1.11 -4.28 117.98 112.38 1fzj s PHE 30 Ca 0.41 -0.24 -0.21 0.00 -1.04 0.00 0.00 56.93 55.84 1fzj s PHE 30 Cb -0.20 -1.36 0.16 0.00 -1.21 0.00 0.00 43.02 40.40 1fzj s PHE 30 CO 0.51 0.52 1.14 -1.58 -1.34 0.00 0.00 175.22 174.47 1fzj s HIS 31 N -2.32 -0.35 1.17 3.49 2.46 -1.05 -0.67 115.29 118.03 1fzj s HIS 31 Ca 0.33 0.78 -0.15 0.00 0.47 0.00 0.00 55.06 56.50 1fzj s HIS 31 Cb -0.06 0.35 0.27 0.00 -0.13 0.00 0.00 32.58 33.01 1fzj s HIS 31 CO 0.22 -0.17 1.04 -1.25 -2.47 0.00 0.00 174.74 172.11 1fzj s PRO 32 N 0.58 -0.95 0.40 2.88 0.04 -1.18 -0.74 135.00 136.03 1fzj s PRO 32 Ca -0.00 0.45 0.18 0.00 0.04 0.00 0.00 61.00 61.67 1fzj s PRO 32 Cb -0.04 -1.58 0.82 0.00 0.04 0.00 0.00 34.50 33.74 1fzj s PRO 32 CO -0.11 -3.64 1.83 -1.00 0.04 0.00 0.00 177.00 174.11 1fzj h PRO 33 N -2.55 0.00 -6.70 0.56 0.13 -1.95 -3.45 132.00 118.04 1fzj h PRO 33 Ca -0.55 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.06 1fzj h PRO 33 Cb 1.33 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.53 1fzj h PRO 33 CO 0.47 0.34 0.96 1.58 -0.23 0.00 0.00 178.00 181.12 1fzj n HIS 34 N -3.78 2.78 -3.57 1.56 -0.00 -1.26 -4.95 115.22 106.00 1fzj n HIS 34 Ca -0.01 0.12 -0.13 0.00 0.46 0.00 0.00 57.72 58.16 1fzj n HIS 34 Cb 0.42 -2.64 -0.06 0.00 -0.12 0.00 0.00 29.99 27.59 1fzj n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1fzj s ILE 35 N 0.74 0.00 -0.13 3.57 2.07 -1.26 -4.60 121.20 121.59 1fzj s ILE 35 Ca 0.71 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1fzj s ILE 35 Cb -0.51 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.08 1fzj s ILE 35 CO 0.38 0.00 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.61 1fzj s GLU 36 N -1.00 3.13 -0.11 3.50 2.02 -0.14 -4.99 118.70 121.11 1fzj s GLU 36 Ca -0.04 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1fzj s GLU 36 Cb -0.01 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1fzj s GLU 36 CO 0.03 0.08 -0.11 0.42 0.02 0.00 0.00 175.26 175.70 1fzj s ILE 37 N 0.62 1.22 -0.03 -1.63 1.01 -1.26 -1.06 121.20 120.06 1fzj s ILE 37 Ca -0.11 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1fzj s ILE 37 Cb -0.16 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1fzj s ILE 37 CO 0.03 0.39 -0.16 -1.10 0.00 0.00 0.00 174.94 174.10 1fzj s GLN 38 N 1.33 1.60 -0.14 2.79 -0.21 -0.25 -5.00 119.66 119.79 1fzj s GLN 38 Ca -0.01 -0.58 -0.06 0.00 0.02 0.00 0.00 55.36 54.73 1fzj s GLN 38 Cb -0.14 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1fzj s GLN 38 CO -0.05 0.26 0.09 -1.64 -2.12 0.00 0.00 175.29 171.83 1fzj s MET 39 N -0.05 3.55 -0.01 2.91 -1.94 -1.26 -0.44 119.30 122.05 1fzj s MET 39 Ca -0.01 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1fzj s MET 39 Cb -0.10 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1fzj s MET 39 CO 0.01 0.60 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.92 1fzj s LEU 40 N -0.54 2.04 -0.22 -0.03 1.43 0.98 -0.22 118.68 122.13 1fzj s LEU 40 Ca 0.11 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1fzj s LEU 40 Cb -0.12 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1fzj s LEU 40 CO 0.02 0.23 -0.10 -0.75 0.23 0.00 0.00 176.35 175.98 1fzj s LYS 41 N -0.49 2.95 -1.46 1.70 2.20 0.01 -1.18 119.74 123.48 1fzj s LYS 41 Ca 0.07 -0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 54.71 1fzj s LYS 41 Cb -0.07 -2.87 0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1fzj s LYS 41 CO -0.01 -0.32 0.84 0.09 -0.36 0.00 0.00 175.35 175.60 1fzj n ASN 42 N 4.67 -3.18 0.00 1.43 3.02 0.90 -1.37 115.26 120.73 1fzj n ASN 42 Ca -0.18 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1fzj n ASN 42 Cb 0.48 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 1fzj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzj n GLY 43 N -1.67 0.87 3.40 7.41 0.00 -1.26 -5.01 105.19 108.92 1fzj n GLY 43 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1fzj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzj s LYS 44 N -0.19 3.02 0.20 1.61 2.20 -0.47 -5.04 119.74 121.07 1fzj s LYS 44 Ca 0.00 -0.71 -0.32 0.00 -0.36 0.00 0.00 55.97 54.58 1fzj s LYS 44 Cb 0.00 -2.50 -0.15 0.00 -1.51 0.00 0.00 37.83 33.67 1fzj s LYS 44 CO 0.00 0.36 1.19 1.17 -0.36 0.00 0.00 175.35 177.72 1fzj n LYS 45 N 3.07 1.38 -3.17 4.03 4.81 -1.26 -0.81 118.16 126.22 1fzj n LYS 45 Ca -0.18 0.49 -0.39 0.00 -0.87 0.00 0.00 58.31 57.36 1fzj n LYS 45 Cb 0.52 -2.00 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 1fzj n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1fzj s ILE 46 N -0.29 5.08 0.40 3.15 1.01 0.69 -4.80 121.20 126.44 1fzj s ILE 46 Ca 0.70 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 62.31 1fzj s ILE 46 Cb -0.79 -3.92 -0.10 0.00 0.01 0.00 0.00 42.46 37.67 1fzj s ILE 46 CO 0.53 0.19 0.88 -2.16 0.00 0.00 0.00 174.94 174.38 1fzj s PRO 47 N 1.40 4.12 -0.83 2.79 0.04 -1.26 -4.18 135.00 137.08 1fzj s PRO 47 Ca 0.29 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1fzj s PRO 47 Cb -0.16 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1fzj s PRO 47 CO 0.11 0.01 0.23 1.63 0.04 0.00 0.00 177.00 179.03 1fzj n LYS 48 N -0.66 -2.11 -2.17 4.56 5.02 -1.26 -4.97 118.16 116.58 1fzj n LYS 48 Ca 0.06 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 1fzj n LYS 48 Cb 0.54 -4.47 -0.03 0.00 -0.02 0.00 0.00 35.03 31.05 1fzj n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fzj s VAL 49 N -2.78 2.88 -0.17 -0.18 1.01 -1.26 -4.97 120.40 114.93 1fzj s VAL 49 Ca 0.12 0.84 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 1fzj s VAL 49 Cb -0.05 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1fzj s VAL 49 CO 0.14 0.19 0.35 -1.61 0.00 0.00 0.00 175.10 174.17 1fzj s GLU 50 N -1.38 4.24 -0.14 2.72 2.02 -0.20 -4.91 118.70 121.05 1fzj s GLU 50 Ca 0.50 0.17 -0.10 0.00 0.02 0.00 0.00 54.97 55.56 1fzj s GLU 50 Cb -0.38 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.34 1fzj s GLU 50 CO 0.48 0.14 0.20 -1.64 0.02 0.00 0.00 175.26 174.46 1fzj s MET 51 N 0.76 3.92 0.36 1.61 -1.94 -1.26 -1.07 119.30 121.68 1fzj s MET 51 Ca 0.19 -0.05 -0.10 0.00 -1.71 0.00 0.00 55.69 54.02 1fzj s MET 51 Cb -0.14 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.42 1fzj s MET 51 CO 0.06 0.49 0.66 -1.13 -0.01 0.00 0.00 175.02 175.08 1fzj n SER 52 N 2.84 -1.89 -3.80 3.03 3.41 0.46 -4.98 113.62 112.68 1fzj n SER 52 Ca -0.16 -2.60 -0.30 0.00 -0.26 0.00 0.00 58.87 55.55 1fzj n SER 52 Cb 0.53 3.24 -0.01 0.00 -0.26 0.00 0.00 64.21 67.71 1fzj n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fzj n ASP 53 N -1.55 -3.85 -4.75 4.04 8.00 -1.26 -0.72 116.55 116.47 1fzj n ASP 53 Ca -0.05 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.33 1fzj n ASP 53 Cb 0.56 -3.14 -0.03 0.00 -0.02 0.00 0.00 41.12 38.49 1fzj n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1fzj s MET 54 N -6.48 4.48 0.20 -1.24 1.75 -1.26 -4.32 119.30 112.43 1fzj s MET 54 Ca 0.59 1.95 -0.18 0.00 -1.25 0.00 0.00 55.69 56.81 1fzj s MET 54 Cb -0.31 -3.19 0.06 0.00 2.84 0.00 0.00 34.83 34.23 1fzj s MET 54 CO 0.73 -0.08 0.86 -1.13 -0.65 0.00 0.00 175.02 174.75 1fzj n SER 55 N 1.99 -1.61 -4.05 1.11 3.41 -0.20 -5.00 113.62 109.27 1fzj n SER 55 Ca 0.03 -1.91 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 1fzj n SER 55 Cb 0.44 2.63 -0.11 0.00 -0.26 0.00 0.00 64.21 66.92 1fzj n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fzj s PHE 56 N -2.69 0.47 0.56 7.33 -0.71 -1.26 -0.80 117.98 120.88 1fzj s PHE 56 Ca 0.19 -0.79 -0.01 0.00 -1.04 0.00 0.00 56.93 55.28 1fzj s PHE 56 Cb -0.03 -0.33 0.11 0.00 -1.21 0.00 0.00 43.02 41.57 1fzj s PHE 56 CO 0.06 -0.25 0.77 -1.13 -1.34 0.00 0.00 175.22 173.32 1fzj n SER 57 N 0.80 0.93 0.19 1.98 3.41 -0.68 -4.90 113.62 115.34 1fzj n SER 57 Ca -0.19 -1.81 0.08 0.00 -0.26 0.00 0.00 58.87 56.70 1fzj n SER 57 Cb 0.58 -0.51 0.60 0.00 -0.26 0.00 0.00 64.21 64.63 1fzj n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1fzj h LYS 58 N 0.00 0.10 -0.47 4.33 2.10 -2.02 0.79 116.57 121.40 1fzj h LYS 58 Ca -0.25 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1fzj h LYS 58 Cb 0.91 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1fzj h LYS 58 CO 0.26 0.07 0.00 -0.40 -2.00 0.00 0.00 179.45 177.38 1fzj n ASP 59 N -4.51 2.41 0.00 7.07 5.75 -1.26 -4.91 116.55 121.10 1fzj n ASP 59 Ca -0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1fzj n ASP 59 Cb 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1fzj n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1fzj n TRP 60 N 0.61 0.00 -2.24 2.11 7.02 0.27 -5.01 117.44 120.20 1fzj n TRP 60 Ca 0.14 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.24 1fzj n TRP 60 Cb 0.42 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 28.81 1fzj n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1fzj s SER 61 N -2.32 6.40 0.37 -0.99 0.01 -1.26 -4.66 113.70 111.25 1fzj s SER 61 Ca 0.00 2.39 -0.17 0.00 1.31 0.00 0.00 55.95 59.48 1fzj s SER 61 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 1fzj s SER 61 CO 0.00 -0.76 0.82 -0.36 0.41 0.00 0.00 173.24 173.35 1fzj s PHE 62 N -1.41 3.36 -0.01 2.43 0.40 0.16 -1.69 117.98 121.21 1fzj s PHE 62 Ca 0.58 1.36 0.01 0.00 -0.60 0.00 0.00 56.93 58.28 1fzj s PHE 62 Cb -0.32 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1fzj s PHE 62 CO 0.40 -0.01 -0.05 0.71 0.70 0.00 0.00 175.22 176.97 1fzj s TYR 63 N -2.11 0.51 -0.17 0.36 1.51 0.02 -1.36 117.35 116.11 1fzj s TYR 63 Ca 0.57 -0.10 -0.22 0.00 -1.01 0.00 0.00 57.07 56.31 1fzj s TYR 63 Cb -0.10 -0.38 0.06 0.00 -0.11 0.00 0.00 41.96 41.43 1fzj s TYR 63 CO 0.17 -0.05 0.58 -1.50 -1.11 0.00 0.00 175.55 173.64 1fzj s ILE 64 N 0.19 0.01 -0.14 2.71 2.07 -0.34 -1.03 121.20 124.67 1fzj s ILE 64 Ca -0.02 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1fzj s ILE 64 Cb -0.06 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1fzj s ILE 64 CO -0.00 -0.02 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.75 1fzj s LEU 65 N -0.12 3.28 -0.10 8.50 2.96 0.10 -1.18 118.68 132.13 1fzj s LEU 65 Ca -0.03 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1fzj s LEU 65 Cb -0.03 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1fzj s LEU 65 CO 0.03 0.21 -0.10 0.00 -1.32 0.00 0.00 176.35 175.17 1fzj s ALA 66 N 0.13 2.81 0.11 5.97 0.00 -0.29 -0.40 121.76 130.09 1fzj s ALA 66 Ca -0.01 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1fzj s ALA 66 Cb -0.14 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1fzj s ALA 66 CO 0.03 0.40 0.29 -3.38 0.00 0.00 0.00 175.76 173.10 1fzj s HIS 67 N -0.20 0.02 -0.10 0.00 -3.43 -0.23 -0.47 115.29 110.88 1fzj s HIS 67 Ca 0.02 -0.40 -0.29 0.00 -0.80 0.00 0.00 55.06 53.59 1fzj s HIS 67 Cb -0.13 0.08 0.07 0.00 -1.43 0.00 0.00 32.58 31.17 1fzj s HIS 67 CO 0.03 -0.64 0.67 -0.08 -2.00 0.00 0.00 174.74 172.72 1fzj s THR 68 N -3.85 0.00 0.50 -5.38 -1.32 -0.77 -1.03 115.64 103.79 1fzj s THR 68 Ca 0.05 -0.02 -0.20 0.00 -1.21 0.00 0.00 61.69 60.32 1fzj s THR 68 Cb 0.03 -0.98 -0.08 0.00 -1.51 0.00 0.00 72.50 69.97 1fzj s THR 68 CO -0.10 -0.01 1.04 -1.61 -2.21 0.00 0.00 174.62 171.73 1fzj s GLU 69 N -0.79 3.75 -0.11 7.08 2.02 -1.26 -1.10 118.70 128.29 1fzj s GLU 69 Ca -0.08 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.95 1fzj s GLU 69 Cb -0.01 -2.09 0.11 0.00 0.10 0.00 0.00 34.13 32.24 1fzj s GLU 69 CO 0.07 -0.47 0.90 -0.59 0.02 0.00 0.00 175.26 175.19 1fzj s PHE 70 N -2.03 -0.44 -0.33 1.61 -0.71 -0.51 -4.84 117.98 110.74 1fzj s PHE 70 Ca 0.67 0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 57.23 1fzj s PHE 70 Cb -0.16 0.46 0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1fzj s PHE 70 CO 0.22 -0.44 0.04 0.99 -1.34 0.00 0.00 175.22 174.68 1fzj s THR 71 N -1.47 2.86 0.45 -4.49 2.01 -1.26 -0.44 115.64 113.29 1fzj s THR 71 Ca -0.03 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 1fzj s THR 71 Cb -0.00 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.64 1fzj s THR 71 CO 0.02 -0.30 1.39 -2.16 -0.69 0.00 0.00 174.62 172.88 1fzj s PRO 72 N 1.16 3.70 0.35 4.92 0.04 -1.26 -4.75 135.00 139.17 1fzj s PRO 72 Ca -0.00 2.33 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1fzj s PRO 72 Cb -0.20 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 1fzj s PRO 72 CO -0.03 -0.78 0.01 0.95 0.04 0.00 0.00 177.00 177.19 1fzj s THR 73 N -1.23 1.66 0.30 1.26 -4.23 -1.26 -0.70 115.64 111.43 1fzj s THR 73 Ca 0.61 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1fzj s THR 73 Cb -0.42 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 70.73 1fzj s THR 73 CO 0.53 -0.07 1.79 -0.08 -0.54 0.00 0.00 174.62 176.26 1fzj h GLU 74 N 2.00 0.58 0.00 3.99 4.81 -1.97 -3.30 114.58 120.69 1fzj h GLU 74 Ca -0.42 -0.16 -0.25 0.00 -0.13 0.00 0.00 59.36 58.40 1fzj h GLU 74 Cb 1.24 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1fzj h GLU 74 CO 0.74 0.66 -1.52 1.79 -0.73 0.00 0.00 179.01 179.95 1fzj h THR 75 N 0.54 0.87 -3.36 0.32 1.35 -2.02 -3.47 112.91 107.13 1fzj h THR 75 Ca 0.10 -2.61 -0.53 0.00 -0.55 0.00 0.00 66.41 62.83 1fzj h THR 75 Cb 0.47 2.38 0.05 0.00 -1.73 0.00 0.00 68.15 69.33 1fzj h THR 75 CO 0.03 0.49 0.74 -1.81 -0.25 0.00 0.00 175.52 174.72 1fzj s ASP 76 N -6.10 6.70 0.12 5.36 1.01 -1.24 -5.03 116.67 117.48 1fzj s ASP 76 Ca -0.03 2.61 0.10 0.00 0.71 0.00 0.00 52.55 55.94 1fzj s ASP 76 Cb 0.08 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1fzj s ASP 76 CO 0.82 -0.67 -0.23 0.42 0.21 0.00 0.00 175.17 175.72 1fzj s THR 77 N 0.06 2.53 0.09 -1.27 -4.23 -1.26 -4.76 115.64 106.79 1fzj s THR 77 Ca 0.59 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1fzj s THR 77 Cb -0.41 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1fzj s THR 77 CO 0.42 0.11 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.18 1fzj s TYR 78 N -1.08 1.17 0.24 3.99 1.51 -1.26 -0.07 117.35 121.84 1fzj s TYR 78 Ca 0.16 -0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 55.52 1fzj s TYR 78 Cb -0.10 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1fzj s TYR 78 CO 0.08 0.05 0.51 0.00 -1.11 0.00 0.00 175.55 175.08 1fzj s ALA 79 N -1.87 -0.52 -0.11 3.71 0.00 -0.33 -1.04 121.76 121.60 1fzj s ALA 79 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1fzj s ALA 79 Cb -0.06 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1fzj s ALA 79 CO 0.02 -0.86 -0.10 0.00 0.00 0.00 0.00 175.76 174.82 1fzj s ARG 81 N 1.51 3.64 -0.05 0.00 3.52 0.41 -0.82 118.95 127.15 1fzj s ARG 81 Ca 0.02 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1fzj s ARG 81 Cb -0.13 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1fzj s ARG 81 CO -0.07 0.15 -0.21 0.08 -0.81 0.00 0.00 175.30 174.44 1fzj s VAL 82 N 0.62 1.75 -0.13 7.11 1.01 0.78 -1.09 120.40 130.45 1fzj s VAL 82 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1fzj s VAL 82 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1fzj s VAL 82 CO 0.02 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 174.86 1fzj s LYS 83 N -0.03 3.07 -0.03 2.72 1.02 -0.23 -0.61 119.74 125.65 1fzj s LYS 83 Ca -0.05 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 54.94 1fzj s LYS 83 Cb -0.13 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1fzj s LYS 83 CO 0.03 0.06 0.35 -1.58 -0.92 0.00 0.00 175.35 173.30 1fzj s HIS 84 N 0.65 -0.25 0.64 3.18 2.46 -1.26 -0.96 115.29 119.74 1fzj s HIS 84 Ca -0.11 0.44 0.32 0.00 0.47 0.00 0.00 55.06 56.18 1fzj s HIS 84 Cb -0.16 0.13 1.78 0.00 -0.13 0.00 0.00 32.58 34.20 1fzj s HIS 84 CO 0.02 -0.39 2.05 -0.44 -2.47 0.00 0.00 174.74 173.51 1fzj h ASP 85 N 3.99 0.00 0.81 9.88 5.19 -1.94 -1.05 116.42 133.30 1fzj h ASP 85 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1fzj h ASP 85 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1fzj h ASP 85 CO 0.38 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.96 1fzj n SER 86 N -3.24 0.00 -4.12 6.45 3.41 -1.26 -4.71 113.62 110.15 1fzj n SER 86 Ca -0.00 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 1fzj n SER 86 Cb 0.34 -0.44 -0.17 0.00 -0.26 0.00 0.00 64.21 63.69 1fzj n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fzj s MET 87 N -2.87 2.56 0.39 4.33 -1.94 -0.40 -4.92 119.30 116.45 1fzj s MET 87 Ca 0.17 -0.69 0.10 0.00 -1.71 0.00 0.00 55.69 53.56 1fzj s MET 87 Cb 0.18 -2.08 0.89 0.00 2.01 0.00 0.00 34.83 35.83 1fzj s MET 87 CO 0.47 0.01 1.93 0.00 -0.01 0.00 0.00 175.02 177.42 1fzj h ALA 88 N 7.22 1.89 -2.23 3.03 0.00 -1.84 -3.43 119.26 123.90 1fzj h ALA 88 Ca -0.29 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 1fzj h ALA 88 Cb 1.19 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1fzj h ALA 88 CO 0.50 -0.06 -0.70 -1.21 0.00 0.00 0.00 179.25 177.78 1fzj s GLU 89 N -5.55 0.93 0.52 0.00 2.02 -1.26 -5.10 118.70 110.26 1fzj s GLU 89 Ca -0.09 -1.39 -0.22 0.00 0.02 0.00 0.00 54.97 53.29 1fzj s GLU 89 Cb 0.20 -0.36 -0.06 0.00 0.10 0.00 0.00 34.13 34.02 1fzj s GLU 89 CO 0.77 0.01 1.34 -2.30 0.02 0.00 0.00 175.26 175.10 1fzj n PRO 90 N -0.11 1.75 -4.66 0.39 -0.02 -1.26 -4.87 135.00 126.22 1fzj n PRO 90 Ca -0.11 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 1fzj n PRO 90 Cb 0.61 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 1fzj n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1fzj s LYS 91 N -2.76 3.42 -0.14 -0.52 2.20 0.22 -4.93 119.74 117.23 1fzj s LYS 91 Ca 0.69 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1fzj s LYS 91 Cb -0.43 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1fzj s LYS 91 CO 0.51 0.26 -0.13 0.99 -0.36 0.00 0.00 175.35 176.62 1fzj s THR 92 N 0.27 3.03 -0.18 3.43 2.01 -1.26 -0.16 115.64 122.78 1fzj s THR 92 Ca -0.07 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1fzj s THR 92 Cb -0.15 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1fzj s THR 92 CO 0.05 0.52 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 1fzj s VAL 93 N 0.46 2.17 0.23 3.82 1.01 -0.00 -4.95 120.40 123.13 1fzj s VAL 93 Ca -0.09 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1fzj s VAL 93 Cb -0.16 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1fzj s VAL 93 CO 0.05 0.53 0.67 -0.31 0.00 0.00 0.00 175.10 176.04 1fzj s TYR 94 N 1.23 3.55 0.01 5.22 1.51 -1.26 -0.70 117.35 126.91 1fzj s TYR 94 Ca 0.03 1.22 -0.30 0.00 -1.01 0.00 0.00 57.07 57.01 1fzj s TYR 94 Cb -0.13 -2.51 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1fzj s TYR 94 CO -0.11 0.29 1.35 -0.46 -1.11 0.00 0.00 175.55 175.52 1fzj s TRP 95 N -1.65 3.00 -0.58 2.71 -0.00 -0.21 -4.90 118.94 117.31 1fzj s TRP 95 Ca 0.45 0.94 -0.07 0.00 -0.00 0.00 0.00 56.10 57.41 1fzj s TRP 95 Cb -0.14 -3.61 0.15 0.00 -0.00 0.00 0.00 33.47 29.87 1fzj s TRP 95 CO 0.20 -2.16 0.44 0.34 -0.00 0.00 0.00 176.95 175.77 1fzj s ASP 96 N 1.66 5.69 0.00 5.86 2.15 -1.26 -4.79 116.67 125.97 1fzj s ASP 96 Ca 0.62 -2.38 0.12 0.00 0.43 0.00 0.00 52.55 51.34 1fzj s ASP 96 Cb -0.31 -1.98 0.63 0.00 -0.30 0.00 0.00 42.92 40.97 1fzj s ASP 96 CO 0.26 -0.55 1.27 -2.11 -0.17 0.00 0.00 175.17 173.88 1fzj n ARG 97 N 4.23 0.21 0.00 4.34 1.85 -1.26 -2.47 116.66 123.56 1fzj n ARG 97 Ca 0.02 0.14 0.09 0.00 -1.00 0.00 0.00 57.85 57.10 1fzj n ARG 97 Cb 0.41 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 1fzj n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1fzj n ASP 98 N -1.24 1.75 0.00 2.89 8.00 -1.26 -4.86 116.55 121.83 1fzj n ASP 98 Ca 0.06 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1fzj n ASP 98 Cb 0.09 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1fzj n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61