#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzk s GLN 2 N 0.00 2.32 -0.12 0.38 0.74 -1.26 -3.71 119.66 118.02 1fzk s GLN 2 Ca 0.00 -1.33 0.03 0.00 0.05 0.00 0.00 55.36 54.11 1fzk s GLN 2 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1fzk s GLN 2 CO 0.00 -0.63 -0.22 0.15 -0.55 0.00 0.00 175.29 174.04 1fzk s LYS 3 N 1.19 3.09 0.10 1.67 1.02 0.17 -4.96 119.74 122.02 1fzk s LYS 3 Ca -0.05 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 1fzk s LYS 3 Cb -0.20 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.66 1fzk s LYS 3 CO -0.03 0.12 1.04 0.99 -0.92 0.00 0.00 175.35 176.55 1fzk s THR 4 N 0.50 4.33 0.41 2.17 2.01 -1.26 -2.48 115.64 121.31 1fzk s THR 4 Ca -0.14 1.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.47 1fzk s THR 4 Cb -0.17 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1fzk s THR 4 CO 0.05 0.25 1.23 -2.16 -0.69 0.00 0.00 174.62 173.30 1fzk s PRO 5 N 0.22 3.98 -0.12 4.92 0.04 -1.26 -4.60 135.00 138.17 1fzk s PRO 5 Ca 0.50 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.39 1fzk s PRO 5 Cb -0.25 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1fzk s PRO 5 CO 0.31 -0.43 0.28 -0.65 0.04 0.00 0.00 177.00 176.55 1fzk s GLN 6 N -2.31 4.04 -0.20 4.56 -1.52 0.04 -4.91 119.66 119.38 1fzk s GLN 6 Ca 0.58 0.11 0.01 0.00 -1.95 0.00 0.00 55.36 54.10 1fzk s GLN 6 Cb -0.34 -3.34 0.02 0.00 -0.22 0.00 0.00 33.01 29.13 1fzk s GLN 6 CO 0.43 0.42 -0.18 0.42 -0.25 0.00 0.00 175.29 176.14 1fzk s ILE 7 N -0.10 2.15 -0.13 1.08 1.01 -1.26 -0.91 121.20 123.04 1fzk s ILE 7 Ca 0.17 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1fzk s ILE 7 Cb -0.13 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1fzk s ILE 7 CO 0.06 0.44 -0.22 -1.10 0.00 0.00 0.00 174.94 174.12 1fzk s GLN 8 N 1.27 3.06 -0.14 2.79 -0.21 -0.42 -4.99 119.66 121.03 1fzk s GLN 8 Ca 0.03 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.57 1fzk s GLN 8 Cb -0.14 -2.42 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 1fzk s GLN 8 CO -0.11 0.05 -0.17 0.08 -2.12 0.00 0.00 175.29 173.02 1fzk s VAL 9 N 0.66 2.60 0.04 1.09 1.01 -1.26 -0.57 120.40 123.97 1fzk s VAL 9 Ca -0.11 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1fzk s VAL 9 Cb -0.16 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.21 1fzk s VAL 9 CO 0.02 0.53 0.67 -0.72 0.00 0.00 0.00 175.10 175.59 1fzk s TYR 10 N 0.63 -0.58 0.25 5.22 1.13 -0.69 -4.67 117.35 118.65 1fzk s TYR 10 Ca -0.09 0.72 0.03 0.00 -1.41 0.00 0.00 57.07 56.32 1fzk s TYR 10 Cb -0.16 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 1fzk s TYR 10 CO 0.03 -0.70 0.40 -1.54 -2.51 0.00 0.00 175.55 171.23 1fzk s SER 11 N -1.92 6.32 0.07 -0.18 1.04 -1.26 -0.37 113.70 117.41 1fzk s SER 11 Ca -0.05 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1fzk s SER 11 Cb -0.00 -1.93 -0.11 0.00 0.10 0.00 0.00 66.02 64.08 1fzk s SER 11 CO -0.01 -0.11 1.38 -0.09 0.98 0.00 0.00 173.24 175.39 1fzk h ARG 12 N 1.28 0.56 -6.41 4.02 9.65 -1.51 -3.45 114.38 118.51 1fzk h ARG 12 Ca -0.51 -0.30 -0.62 0.00 -1.10 0.00 0.00 59.98 57.46 1fzk h ARG 12 Cb 1.22 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 29.67 1fzk h ARG 12 CO 0.63 0.89 -0.72 -1.01 2.80 0.00 0.00 179.97 182.55 1fzk s HIS 13 N -4.32 2.59 0.34 2.20 3.76 -1.26 -5.04 115.29 113.56 1fzk s HIS 13 Ca -0.13 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1fzk s HIS 13 Cb 0.07 -1.24 -0.12 0.00 1.11 0.00 0.00 32.58 32.40 1fzk s HIS 13 CO 0.80 0.54 1.45 -2.30 -0.85 0.00 0.00 174.74 174.38 1fzk n PRO 14 N -0.10 2.49 -2.08 8.40 -0.02 -1.26 -4.86 135.00 137.57 1fzk n PRO 14 Ca -0.10 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1fzk n PRO 14 Cb 0.56 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1fzk n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fzk s PRO 15 N -1.59 4.31 -0.09 0.52 0.04 -1.26 -5.02 135.00 131.91 1fzk s PRO 15 Ca 0.57 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.79 1fzk s PRO 15 Cb -0.52 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 30.92 1fzk s PRO 15 CO 0.59 -0.37 0.08 -1.21 0.04 0.00 0.00 177.00 176.13 1fzk s GLU 16 N -0.18 -0.02 0.11 4.56 2.02 -1.26 -5.12 118.70 118.80 1fzk s GLU 16 Ca 0.59 0.23 -0.35 0.00 0.02 0.00 0.00 54.97 55.46 1fzk s GLU 16 Cb -0.40 -0.95 -0.14 0.00 0.10 0.00 0.00 34.13 32.73 1fzk s GLU 16 CO 0.41 -0.45 1.57 0.09 0.02 0.00 0.00 175.26 176.90 1fzk n ASN 17 N 5.29 2.84 0.00 -0.19 3.02 -1.26 -1.97 115.26 123.00 1fzk n ASN 17 Ca -0.04 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1fzk n ASN 17 Cb 0.50 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1fzk n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzk n GLY 18 N 3.37 0.93 3.54 7.41 0.00 -0.38 -5.00 105.19 115.06 1fzk n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1fzk n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzk s LYS 19 N -0.67 3.52 0.47 1.61 2.20 -0.83 -4.99 119.74 121.05 1fzk s LYS 19 Ca 0.00 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 54.88 1fzk s LYS 19 Cb 0.00 -2.89 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 1fzk s LYS 19 CO 0.00 0.34 1.06 -2.30 -0.36 0.00 0.00 175.35 174.09 1fzk n PRO 20 N 3.24 1.37 -1.73 4.03 -0.02 -1.26 -4.25 135.00 136.37 1fzk n PRO 20 Ca -0.18 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.78 1fzk n PRO 20 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1fzk n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fzk n ASN 21 N 0.11 -0.33 -3.90 2.55 2.85 0.96 -4.97 115.26 112.53 1fzk n ASN 21 Ca 0.10 -1.31 -0.19 0.00 -0.11 0.00 0.00 54.58 53.07 1fzk n ASN 21 Cb 0.41 0.57 -0.16 0.00 1.24 0.00 0.00 39.78 41.85 1fzk n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fzk s ILE 22 N -2.68 0.50 -0.12 -1.44 1.01 -1.26 -1.63 121.20 115.58 1fzk s ILE 22 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1fzk s ILE 22 Cb -0.01 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1fzk s ILE 22 CO 0.03 0.20 -0.00 -0.22 0.00 0.00 0.00 174.94 174.95 1fzk s LEU 23 N 0.72 3.51 0.07 2.97 2.96 0.13 -1.10 118.68 127.94 1fzk s LEU 23 Ca -0.09 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.97 1fzk s LEU 23 Cb -0.12 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1fzk s LEU 23 CO 0.00 0.30 -0.25 0.20 -1.32 0.00 0.00 176.35 175.28 1fzk s ASN 24 N -0.40 3.03 -0.24 3.68 0.01 0.50 -1.66 114.94 119.87 1fzk s ASN 24 Ca 0.07 -0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1fzk s ASN 24 Cb -0.12 -0.24 0.07 0.00 0.41 0.00 0.00 41.25 41.37 1fzk s ASN 24 CO 0.02 0.21 0.05 0.00 -1.51 0.00 0.00 177.10 175.87 1fzk s TYR 26 N 1.75 3.15 -0.23 0.00 5.04 0.26 -1.00 117.35 126.33 1fzk s TYR 26 Ca 0.02 -0.27 -0.06 0.00 -2.44 0.00 0.00 57.07 54.32 1fzk s TYR 26 Cb -0.17 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.80 1fzk s TYR 26 CO -0.14 -0.31 0.03 0.08 -1.34 0.00 0.00 175.55 173.87 1fzk s VAL 27 N 1.67 4.03 0.28 3.14 1.01 -0.33 -1.29 120.40 128.91 1fzk s VAL 27 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1fzk s VAL 27 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1fzk s VAL 27 CO 0.07 0.38 0.12 0.42 0.00 0.00 0.00 175.10 176.09 1fzk s THR 28 N 1.43 0.46 -1.45 3.92 -4.23 -0.08 -1.41 115.64 114.28 1fzk s THR 28 Ca 0.05 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.47 1fzk s THR 28 Cb -0.15 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.17 1fzk s THR 28 CO 0.02 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 174.83 1fzk n GLN 29 N -0.53 -4.81 -4.30 3.99 6.02 -0.43 -0.78 117.38 116.54 1fzk n GLN 29 Ca 0.00 0.66 -0.23 0.00 -0.01 0.00 0.00 57.00 57.42 1fzk n GLN 29 Cb 0.66 -5.49 -0.07 0.00 1.02 0.00 0.00 30.24 26.35 1fzk n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1fzk s PHE 30 N -3.14 2.69 -0.29 1.08 -0.71 -1.13 -4.33 117.98 112.15 1fzk s PHE 30 Ca 0.48 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.94 1fzk s PHE 30 Cb -0.23 -1.20 0.14 0.00 -1.21 0.00 0.00 43.02 40.52 1fzk s PHE 30 CO 0.59 0.62 1.05 -1.58 -1.34 0.00 0.00 175.22 174.55 1fzk s HIS 31 N -2.29 -0.47 1.09 3.49 2.46 -1.03 -0.67 115.29 117.87 1fzk s HIS 31 Ca 0.31 1.03 -0.13 0.00 0.47 0.00 0.00 55.06 56.74 1fzk s HIS 31 Cb -0.07 0.36 0.24 0.00 -0.13 0.00 0.00 32.58 32.98 1fzk s HIS 31 CO 0.20 -0.23 1.06 -1.25 -2.47 0.00 0.00 174.74 172.05 1fzk s PRO 32 N 0.74 -0.28 0.42 2.88 0.04 -1.24 -0.66 135.00 136.90 1fzk s PRO 32 Ca -0.02 0.62 0.16 0.00 0.04 0.00 0.00 61.00 61.79 1fzk s PRO 32 Cb -0.04 -1.65 0.93 0.00 0.04 0.00 0.00 34.50 33.78 1fzk s PRO 32 CO -0.11 -3.24 1.92 -1.00 0.04 0.00 0.00 177.00 174.61 1fzk h PRO 33 N -2.26 0.00 -6.54 0.56 0.13 -1.97 -3.45 132.00 118.47 1fzk h PRO 33 Ca -0.58 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 63.99 1fzk h PRO 33 Cb 1.34 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.52 1fzk h PRO 33 CO 0.55 0.27 0.96 1.58 -0.23 0.00 0.00 178.00 181.13 1fzk n HIS 34 N -4.07 2.52 -3.52 1.56 -0.00 -1.26 -4.96 115.22 105.49 1fzk n HIS 34 Ca -0.02 0.08 -0.13 0.00 0.46 0.00 0.00 57.72 58.11 1fzk n HIS 34 Cb 0.33 -2.64 -0.04 0.00 -0.12 0.00 0.00 29.99 27.52 1fzk n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1fzk s ILE 35 N 1.61 0.00 -0.11 3.57 2.07 -1.26 -4.66 121.20 122.43 1fzk s ILE 35 Ca 0.79 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.06 1fzk s ILE 35 Cb -0.58 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.02 1fzk s ILE 35 CO 0.37 0.00 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.59 1fzk s GLU 36 N -1.89 2.64 -0.08 3.50 2.02 -0.72 -4.99 118.70 119.18 1fzk s GLU 36 Ca -0.04 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1fzk s GLU 36 Cb -0.00 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.14 1fzk s GLU 36 CO 0.01 0.05 -0.10 0.42 0.02 0.00 0.00 175.26 175.65 1fzk s ILE 37 N 0.67 1.08 0.01 -1.63 1.01 -1.26 -1.40 121.20 119.67 1fzk s ILE 37 Ca -0.12 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1fzk s ILE 37 Cb -0.16 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1fzk s ILE 37 CO 0.03 0.35 -0.06 -1.10 0.00 0.00 0.00 174.94 174.16 1fzk s GLN 38 N 0.99 0.48 -0.11 2.79 -0.21 -0.55 -5.00 119.66 118.06 1fzk s GLN 38 Ca -0.08 -0.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.94 1fzk s GLN 38 Cb -0.15 -0.42 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 1fzk s GLN 38 CO -0.00 0.11 0.02 -1.64 -2.12 0.00 0.00 175.29 171.66 1fzk s MET 39 N -0.43 3.22 0.01 2.91 -1.94 -1.26 -0.66 119.30 121.15 1fzk s MET 39 Ca -0.00 -0.38 0.07 0.00 -1.71 0.00 0.00 55.69 53.67 1fzk s MET 39 Cb -0.04 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 1fzk s MET 39 CO -0.00 0.61 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.91 1fzk s LEU 40 N -0.63 2.10 -0.19 -0.03 1.43 -0.05 -1.15 118.68 120.16 1fzk s LEU 40 Ca 0.10 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1fzk s LEU 40 Cb -0.12 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1fzk s LEU 40 CO 0.02 0.20 -0.18 -0.75 0.23 0.00 0.00 176.35 175.87 1fzk s LYS 41 N -0.79 2.91 -1.59 1.70 2.20 0.04 -1.60 119.74 122.61 1fzk s LYS 41 Ca 0.07 -0.89 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1fzk s LYS 41 Cb -0.08 -2.62 0.11 0.00 -1.51 0.00 0.00 37.83 33.72 1fzk s LYS 41 CO 0.00 -0.25 0.87 0.09 -0.36 0.00 0.00 175.35 175.70 1fzk n ASN 42 N 4.60 -3.84 0.00 1.43 3.02 0.23 -1.28 115.26 119.41 1fzk n ASN 42 Ca -0.20 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1fzk n ASN 42 Cb 0.49 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 1fzk n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzk n GLY 43 N -1.59 0.90 3.50 7.41 0.00 -1.26 -5.02 105.19 109.12 1fzk n GLY 43 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1fzk n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzk s LYS 44 N -0.08 2.70 0.26 1.61 2.20 -0.41 -5.03 119.74 120.99 1fzk s LYS 44 Ca 0.00 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.66 1fzk s LYS 44 Cb 0.00 -2.48 -0.13 0.00 -1.51 0.00 0.00 37.83 33.71 1fzk s LYS 44 CO 0.00 0.58 1.50 1.17 -0.36 0.00 0.00 175.35 178.24 1fzk n LYS 45 N 2.44 2.35 -3.13 4.03 4.81 -1.26 -0.78 118.16 126.63 1fzk n LYS 45 Ca -0.17 0.84 -0.40 0.00 -0.87 0.00 0.00 58.31 57.71 1fzk n LYS 45 Cb 0.52 -2.56 -0.06 0.00 0.02 0.00 0.00 35.03 32.96 1fzk n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1fzk s ILE 46 N 0.01 5.05 0.55 3.15 1.01 -0.30 -4.83 121.20 125.84 1fzk s ILE 46 Ca 0.67 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 1fzk s ILE 46 Cb -0.58 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1fzk s ILE 46 CO 0.48 0.18 0.95 -2.16 0.00 0.00 0.00 174.94 174.39 1fzk s PRO 47 N 1.42 3.68 -1.56 2.79 0.04 -1.26 -4.23 135.00 135.87 1fzk s PRO 47 Ca 0.31 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1fzk s PRO 47 Cb -0.16 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1fzk s PRO 47 CO 0.12 -0.38 0.27 1.63 0.04 0.00 0.00 177.00 178.68 1fzk n LYS 48 N -2.27 -3.00 -2.26 4.56 5.02 -1.26 -4.97 118.16 113.97 1fzk n LYS 48 Ca 0.05 0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 1fzk n LYS 48 Cb 0.54 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1fzk n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fzk s VAL 49 N -3.05 3.03 -0.15 -0.18 1.01 -1.26 -4.98 120.40 114.82 1fzk s VAL 49 Ca 0.14 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1fzk s VAL 49 Cb -0.06 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1fzk s VAL 49 CO 0.17 0.25 0.34 -1.61 0.00 0.00 0.00 175.10 174.24 1fzk s GLU 50 N -1.65 4.27 -0.16 2.72 2.02 -0.45 -4.92 118.70 120.53 1fzk s GLU 50 Ca 0.47 0.18 -0.07 0.00 0.02 0.00 0.00 54.97 55.57 1fzk s GLU 50 Cb -0.37 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1fzk s GLU 50 CO 0.48 0.22 0.10 -1.64 0.02 0.00 0.00 175.26 174.44 1fzk s MET 51 N 0.49 3.77 0.38 1.61 -1.94 -1.26 -1.05 119.30 121.30 1fzk s MET 51 Ca 0.19 -0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 53.80 1fzk s MET 51 Cb -0.13 -3.22 0.05 0.00 2.01 0.00 0.00 34.83 33.53 1fzk s MET 51 CO 0.05 0.48 0.71 -1.13 -0.01 0.00 0.00 175.02 175.12 1fzk n SER 52 N 2.92 -2.06 -3.97 3.03 3.41 0.41 -5.00 113.62 112.36 1fzk n SER 52 Ca -0.18 -2.66 -0.29 0.00 -0.26 0.00 0.00 58.87 55.49 1fzk n SER 52 Cb 0.53 3.50 0.00 0.00 -0.26 0.00 0.00 64.21 67.99 1fzk n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fzk n ASP 53 N -1.55 -2.52 -4.71 4.04 8.00 -1.26 -0.67 116.55 117.88 1fzk n ASP 53 Ca -0.07 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.11 1fzk n ASP 53 Cb 0.59 -3.40 -0.03 0.00 -0.02 0.00 0.00 41.12 38.26 1fzk n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1fzk s MET 54 N -6.57 4.54 0.35 -1.24 1.75 -1.26 -4.21 119.30 112.66 1fzk s MET 54 Ca 0.38 1.47 -0.12 0.00 -1.25 0.00 0.00 55.69 56.17 1fzk s MET 54 Cb -0.20 -3.44 0.05 0.00 2.84 0.00 0.00 34.83 34.08 1fzk s MET 54 CO 0.87 -0.08 0.68 -1.13 -0.65 0.00 0.00 175.02 174.72 1fzk n SER 55 N 3.88 -1.99 -3.90 1.11 3.41 -0.33 -5.00 113.62 110.80 1fzk n SER 55 Ca 0.06 -2.44 -0.10 0.00 -0.26 0.00 0.00 58.87 56.13 1fzk n SER 55 Cb 0.50 3.33 -0.10 0.00 -0.26 0.00 0.00 64.21 67.68 1fzk n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fzk s PHE 56 N -2.94 0.12 0.68 7.33 -0.71 -1.26 -0.87 117.98 120.32 1fzk s PHE 56 Ca 0.15 -0.28 -0.08 0.00 -1.04 0.00 0.00 56.93 55.68 1fzk s PHE 56 Cb -0.04 -0.10 0.15 0.00 -1.21 0.00 0.00 43.02 41.82 1fzk s PHE 56 CO 0.11 -0.28 0.92 -1.13 -1.34 0.00 0.00 175.22 173.51 1fzk n SER 57 N 1.37 0.46 0.27 1.98 3.41 -0.64 -4.90 113.62 115.57 1fzk n SER 57 Ca -0.22 -1.57 0.11 0.00 -0.26 0.00 0.00 58.87 56.92 1fzk n SER 57 Cb 0.56 -0.67 0.72 0.00 -0.26 0.00 0.00 64.21 64.56 1fzk n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1fzk h LYS 58 N 0.00 0.00 -0.55 4.33 2.10 -2.03 -0.55 116.57 119.87 1fzk h LYS 58 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1fzk h LYS 58 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1fzk h LYS 58 CO 0.25 0.06 0.00 -0.40 -2.00 0.00 0.00 179.45 177.35 1fzk n ASP 59 N -4.12 3.03 0.00 7.07 5.75 -1.26 -4.93 116.55 122.09 1fzk n ASP 59 Ca -0.03 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1fzk n ASP 59 Cb 0.14 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1fzk n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1fzk n TRP 60 N 0.86 0.00 -2.28 2.11 7.02 -0.21 -5.03 117.44 119.91 1fzk n TRP 60 Ca 0.17 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.29 1fzk n TRP 60 Cb 0.53 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 29.02 1fzk n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1fzk s SER 61 N -2.41 6.01 0.35 -0.99 0.01 -1.26 -4.68 113.70 110.73 1fzk s SER 61 Ca 0.00 2.23 -0.12 0.00 1.31 0.00 0.00 55.95 59.37 1fzk s SER 61 Cb 0.00 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 1fzk s SER 61 CO 0.00 -1.02 0.73 -0.36 0.41 0.00 0.00 173.24 172.99 1fzk s PHE 62 N -1.65 3.42 -0.00 2.43 0.40 0.16 -1.62 117.98 121.12 1fzk s PHE 62 Ca 0.67 1.09 0.01 0.00 -0.60 0.00 0.00 56.93 58.10 1fzk s PHE 62 Cb -0.26 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1fzk s PHE 62 CO 0.31 0.03 -0.02 0.71 0.70 0.00 0.00 175.22 176.95 1fzk s TYR 63 N -2.14 0.18 -0.12 0.36 1.51 -0.05 -1.32 117.35 115.78 1fzk s TYR 63 Ca 0.52 -0.02 -0.26 0.00 -1.01 0.00 0.00 57.07 56.30 1fzk s TYR 63 Cb -0.10 -0.14 0.06 0.00 -0.11 0.00 0.00 41.96 41.67 1fzk s TYR 63 CO 0.24 -0.02 0.62 -1.50 -1.11 0.00 0.00 175.55 173.78 1fzk s ILE 64 N 0.08 0.01 -0.06 2.71 2.07 -0.50 -1.18 121.20 124.32 1fzk s ILE 64 Ca -0.00 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1fzk s ILE 64 Cb -0.02 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1fzk s ILE 64 CO -0.00 -0.03 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.66 1fzk s LEU 65 N -0.62 2.92 -0.08 8.50 2.96 0.15 -1.18 118.68 131.33 1fzk s LEU 65 Ca -0.07 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1fzk s LEU 65 Cb -0.02 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1fzk s LEU 65 CO 0.06 0.35 -0.24 0.00 -1.32 0.00 0.00 176.35 175.20 1fzk s ALA 66 N -0.77 2.15 0.07 5.97 0.00 -0.17 -0.45 121.76 128.57 1fzk s ALA 66 Ca 0.12 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1fzk s ALA 66 Cb -0.11 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1fzk s ALA 66 CO 0.01 0.36 0.31 -3.38 0.00 0.00 0.00 175.76 173.06 1fzk s HIS 67 N 0.06 -0.09 0.02 0.00 -3.43 -0.22 -0.45 115.29 111.19 1fzk s HIS 67 Ca -0.10 -0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 53.80 1fzk s HIS 67 Cb -0.16 0.11 0.05 0.00 -1.43 0.00 0.00 32.58 31.15 1fzk s HIS 67 CO 0.06 -0.56 0.51 -0.08 -2.00 0.00 0.00 174.74 172.68 1fzk s THR 68 N -3.04 0.03 0.41 -5.38 -1.32 -0.67 -1.34 115.64 104.32 1fzk s THR 68 Ca -0.02 -0.25 -0.23 0.00 -1.21 0.00 0.00 61.69 59.99 1fzk s THR 68 Cb 0.01 -0.93 -0.10 0.00 -1.51 0.00 0.00 72.50 69.97 1fzk s THR 68 CO -0.06 -0.14 0.98 -1.61 -2.21 0.00 0.00 174.62 171.58 1fzk s GLU 69 N -2.06 4.24 0.05 7.08 2.02 -1.26 -0.69 118.70 128.08 1fzk s GLU 69 Ca -0.07 1.29 -0.27 0.00 0.02 0.00 0.00 54.97 55.93 1fzk s GLU 69 Cb -0.01 -2.39 0.08 0.00 0.10 0.00 0.00 34.13 31.91 1fzk s GLU 69 CO 0.01 -0.04 0.71 -0.59 0.02 0.00 0.00 175.26 175.37 1fzk s PHE 70 N -1.91 -0.52 -0.32 1.61 -0.71 -0.65 -4.86 117.98 110.62 1fzk s PHE 70 Ca 0.59 0.53 0.03 0.00 -1.04 0.00 0.00 56.93 57.04 1fzk s PHE 70 Cb -0.15 0.51 0.10 0.00 -1.21 0.00 0.00 43.02 42.26 1fzk s PHE 70 CO 0.20 -0.69 0.04 0.99 -1.34 0.00 0.00 175.22 174.42 1fzk s THR 71 N -2.79 1.97 0.59 -4.49 2.01 -1.26 -0.02 115.64 111.64 1fzk s THR 71 Ca -0.01 -2.07 -0.19 0.00 0.31 0.00 0.00 61.69 59.73 1fzk s THR 71 Cb -0.01 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1fzk s THR 71 CO -0.05 -0.55 1.23 -2.16 -0.69 0.00 0.00 174.62 172.40 1fzk s PRO 72 N 1.07 2.98 0.33 4.92 0.04 -1.26 -4.75 135.00 138.33 1fzk s PRO 72 Ca 0.09 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1fzk s PRO 72 Cb -0.19 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1fzk s PRO 72 CO -0.11 -1.22 0.02 0.95 0.04 0.00 0.00 177.00 176.68 1fzk s THR 73 N -1.52 1.49 0.32 1.26 -4.23 -1.26 -1.25 115.64 110.44 1fzk s THR 73 Ca 0.77 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1fzk s THR 73 Cb -0.32 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1fzk s THR 73 CO 0.36 -0.08 1.96 -0.08 -0.54 0.00 0.00 174.62 176.23 1fzk h GLU 74 N 2.09 0.93 -0.07 3.99 4.57 -1.97 -3.28 114.58 120.84 1fzk h GLU 74 Ca -0.41 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1fzk h GLU 74 Cb 1.24 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1fzk h GLU 74 CO 0.71 0.62 0.00 0.25 -1.18 0.00 0.00 179.01 179.41 1fzk n THR 75 N -4.45 0.26 -2.55 0.32 -2.24 -1.26 -4.99 114.28 99.36 1fzk n THR 75 Ca 0.10 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.85 1fzk n THR 75 Cb 0.13 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1fzk n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fzk s ASP 76 N -0.73 7.37 0.12 3.42 1.01 -1.24 -5.03 116.67 121.58 1fzk s ASP 76 Ca 0.11 2.17 0.08 0.00 0.71 0.00 0.00 52.55 55.62 1fzk s ASP 76 Cb 0.07 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1fzk s ASP 76 CO 0.10 -0.07 -0.11 0.42 0.21 0.00 0.00 175.17 175.72 1fzk s THR 77 N -1.08 3.27 0.05 -1.27 -4.23 -1.26 -4.79 115.64 106.32 1fzk s THR 77 Ca 0.44 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1fzk s THR 77 Cb -0.30 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1fzk s THR 77 CO 0.38 0.06 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.11 1fzk s TYR 78 N -1.30 0.96 0.25 3.99 1.51 -1.26 -0.60 117.35 120.89 1fzk s TYR 78 Ca 0.22 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 1fzk s TYR 78 Cb -0.11 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1fzk s TYR 78 CO 0.14 -0.00 0.45 0.00 -1.11 0.00 0.00 175.55 175.03 1fzk s ALA 79 N -1.09 -0.12 -0.09 3.71 0.00 -0.63 -1.43 121.76 122.11 1fzk s ALA 79 Ca -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1fzk s ALA 79 Cb -0.09 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.15 1fzk s ALA 79 CO 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 175.76 174.84 1fzk s ARG 81 N 1.30 3.62 -0.04 0.00 3.52 0.17 -0.64 118.95 126.88 1fzk s ARG 81 Ca -0.03 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1fzk s ARG 81 Cb -0.14 -2.90 -0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1fzk s ARG 81 CO -0.04 0.20 -0.15 0.08 -0.81 0.00 0.00 175.30 174.59 1fzk s VAL 82 N 0.45 1.26 -0.14 7.11 1.01 0.29 -1.48 120.40 128.90 1fzk s VAL 82 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1fzk s VAL 82 Cb -0.14 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1fzk s VAL 82 CO 0.03 0.37 -0.22 -0.54 0.00 0.00 0.00 175.10 174.74 1fzk s LYS 83 N 0.07 3.03 -0.02 2.72 1.02 -0.50 -0.70 119.74 125.37 1fzk s LYS 83 Ca -0.03 -0.85 -0.10 0.00 0.02 0.00 0.00 55.97 55.01 1fzk s LYS 83 Cb -0.11 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1fzk s LYS 83 CO 0.02 -0.03 0.21 -1.58 -0.92 0.00 0.00 175.35 173.05 1fzk s HIS 84 N 0.85 -0.08 0.63 3.18 2.46 -1.26 -1.76 115.29 119.31 1fzk s HIS 84 Ca -0.06 0.12 0.34 0.00 0.47 0.00 0.00 55.06 55.93 1fzk s HIS 84 Cb -0.15 0.02 1.93 0.00 -0.13 0.00 0.00 32.58 34.26 1fzk s HIS 84 CO -0.03 -0.30 2.18 -0.44 -2.47 0.00 0.00 174.74 173.68 1fzk h ASP 85 N 4.32 0.00 0.81 9.88 3.45 -1.94 -1.68 116.42 131.26 1fzk h ASP 85 Ca -0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1fzk h ASP 85 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1fzk h ASP 85 CO 0.40 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.53 1fzk n SER 86 N -3.41 0.56 -4.43 6.45 3.41 -1.26 -4.74 113.62 110.19 1fzk n SER 86 Ca -0.01 0.62 -0.31 0.00 -0.26 0.00 0.00 58.87 58.91 1fzk n SER 86 Cb 0.22 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.29 1fzk n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fzk s MET 87 N -3.22 2.07 0.22 4.33 -1.94 -0.63 -4.95 119.30 115.16 1fzk s MET 87 Ca 0.06 -0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 53.00 1fzk s MET 87 Cb 0.10 -2.17 0.18 0.00 2.01 0.00 0.00 34.83 34.96 1fzk s MET 87 CO 0.41 0.54 1.70 0.00 -0.01 0.00 0.00 175.02 177.67 1fzk h ALA 88 N 4.68 0.96 -2.37 3.03 0.00 -1.85 -3.44 119.26 120.27 1fzk h ALA 88 Ca -0.47 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 53.90 1fzk h ALA 88 Cb 1.15 -0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 1fzk h ALA 88 CO 0.47 0.64 -0.65 -1.21 0.00 0.00 0.00 179.25 178.50 1fzk s GLU 89 N -5.08 1.10 0.48 0.00 2.02 -1.26 -5.11 118.70 110.86 1fzk s GLU 89 Ca -0.11 -1.55 -0.24 0.00 0.02 0.00 0.00 54.97 53.09 1fzk s GLU 89 Cb 0.14 -0.03 -0.07 0.00 0.10 0.00 0.00 34.13 34.27 1fzk s GLU 89 CO 0.84 -0.23 1.41 -2.14 0.02 0.00 0.00 175.26 175.15 1fzk s PRO 90 N -4.01 3.50 -0.18 0.39 0.02 -1.26 -4.86 135.00 128.60 1fzk s PRO 90 Ca 0.28 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 63.62 1fzk s PRO 90 Cb 0.07 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.04 1fzk s PRO 90 CO 0.06 -0.94 -0.03 0.21 -0.33 0.00 0.00 177.00 175.97 1fzk s LYS 91 N -2.60 3.59 -0.24 5.54 2.20 0.12 -4.92 119.74 123.44 1fzk s LYS 91 Ca 0.64 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.66 1fzk s LYS 91 Cb -0.43 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1fzk s LYS 91 CO 0.54 0.08 0.02 0.99 -0.36 0.00 0.00 175.35 176.61 1fzk s THR 92 N 0.80 3.77 -0.20 3.43 2.01 -1.26 -0.55 115.64 123.64 1fzk s THR 92 Ca -0.01 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1fzk s THR 92 Cb -0.14 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1fzk s THR 92 CO 0.02 0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 1fzk s VAL 93 N 1.52 3.29 0.30 3.82 1.01 0.19 -4.94 120.40 125.60 1fzk s VAL 93 Ca 0.05 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1fzk s VAL 93 Cb -0.15 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 1fzk s VAL 93 CO -0.00 0.45 0.71 -0.31 0.00 0.00 0.00 175.10 175.95 1fzk s TYR 94 N 1.20 3.40 -0.03 5.22 1.51 -1.26 -0.97 117.35 126.40 1fzk s TYR 94 Ca 0.02 1.19 -0.30 0.00 -1.01 0.00 0.00 57.07 56.97 1fzk s TYR 94 Cb -0.14 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1fzk s TYR 94 CO -0.02 0.13 1.30 -0.46 -1.11 0.00 0.00 175.55 175.39 1fzk s TRP 95 N -1.93 3.02 -0.50 2.71 -0.00 -0.52 -4.88 118.94 116.85 1fzk s TRP 95 Ca 0.53 1.02 -0.08 0.00 -0.00 0.00 0.00 56.10 57.57 1fzk s TRP 95 Cb -0.11 -3.54 0.13 0.00 -0.00 0.00 0.00 33.47 29.95 1fzk s TRP 95 CO 0.18 -1.85 0.36 0.34 -0.00 0.00 0.00 176.95 175.98 1fzk s ASP 96 N 1.68 5.65 0.00 5.86 -1.08 -1.26 -4.81 116.67 122.71 1fzk s ASP 96 Ca 0.60 -2.06 0.14 0.00 -0.52 0.00 0.00 52.55 50.70 1fzk s ASP 96 Cb -0.28 -1.98 0.68 0.00 -1.46 0.00 0.00 42.92 39.88 1fzk s ASP 96 CO 0.24 -0.64 1.36 -2.11 0.52 0.00 0.00 175.17 174.55 1fzk n ARG 97 N 4.68 0.18 -0.00 4.34 1.85 -1.26 -2.45 116.66 123.99 1fzk n ARG 97 Ca -0.04 0.16 0.09 0.00 -1.00 0.00 0.00 57.85 57.06 1fzk n ARG 97 Cb 0.41 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.40 1fzk n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1fzk n ASP 98 N -1.30 2.52 0.00 2.89 8.00 -1.26 -4.90 116.55 122.50 1fzk n ASP 98 Ca 0.06 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1fzk n ASP 98 Cb 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1fzk n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61