#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zhb s GLN 2 N 0.00 1.15 -0.14 9.51 -2.07 -1.26 -4.75 119.66 122.10 1zhb s GLN 2 Ca 0.00 -0.46 -0.05 0.00 -1.82 0.00 0.00 55.36 53.03 1zhb s GLN 2 Cb 0.00 -1.08 -0.04 0.00 -1.09 0.00 0.00 33.01 30.80 1zhb s GLN 2 CO 0.00 0.24 0.05 0.15 -1.32 0.00 0.00 175.29 174.41 1zhb s LYS 3 N -0.16 3.54 -0.08 9.60 1.02 -0.24 -4.93 119.74 128.50 1zhb s LYS 3 Ca 0.02 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 1zhb s LYS 3 Cb -0.07 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1zhb s LYS 3 CO 0.00 0.50 0.40 -0.08 -0.92 0.00 0.00 175.35 175.25 1zhb s THR 4 N -0.28 5.15 0.24 2.17 -1.32 -1.26 -1.57 115.64 118.77 1zhb s THR 4 Ca 0.08 0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 61.06 1zhb s THR 4 Cb -0.12 -3.73 -0.10 0.00 -1.51 0.00 0.00 72.50 67.04 1zhb s THR 4 CO 0.02 0.45 1.51 -2.16 -2.21 0.00 0.00 174.62 172.23 1zhb s PRO 5 N -0.17 4.22 -0.08 7.08 0.04 -1.26 -4.57 135.00 140.26 1zhb s PRO 5 Ca 0.23 2.39 -0.12 0.00 0.04 0.00 0.00 61.00 63.53 1zhb s PRO 5 Cb -0.15 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1zhb s PRO 5 CO 0.10 -0.52 0.30 -0.65 0.04 0.00 0.00 177.00 176.27 1zhb s GLN 6 N -0.03 3.85 -0.05 4.56 -1.52 0.27 -4.91 119.66 121.84 1zhb s GLN 6 Ca 0.63 0.17 0.03 0.00 -1.95 0.00 0.00 55.36 54.24 1zhb s GLN 6 Cb -0.44 -3.26 0.01 0.00 -0.22 0.00 0.00 33.01 29.10 1zhb s GLN 6 CO 0.41 0.61 -0.14 0.42 -0.25 0.00 0.00 175.29 176.34 1zhb s ILE 7 N -0.68 1.21 -0.09 1.08 1.01 -1.26 -0.46 121.20 122.02 1zhb s ILE 7 Ca 0.19 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1zhb s ILE 7 Cb -0.14 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1zhb s ILE 7 CO 0.08 0.36 -0.11 -1.10 0.00 0.00 0.00 174.94 174.18 1zhb s GLN 8 N 0.38 1.69 -0.17 2.79 -0.21 -0.07 -4.97 119.66 119.11 1zhb s GLN 8 Ca -0.10 -0.37 -0.04 0.00 0.02 0.00 0.00 55.36 54.87 1zhb s GLN 8 Cb -0.13 -1.51 -0.03 0.00 1.00 0.00 0.00 33.01 32.34 1zhb s GLN 8 CO 0.03 -0.09 -0.03 0.08 -2.12 0.00 0.00 175.29 173.17 1zhb s VAL 9 N 1.06 3.89 -0.15 1.09 1.01 -1.26 0.16 120.40 126.19 1zhb s VAL 9 Ca -0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1zhb s VAL 9 Cb -0.15 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.63 1zhb s VAL 9 CO -0.01 0.47 0.96 -0.72 0.00 0.00 0.00 175.10 175.81 1zhb s TYR 10 N 0.59 -0.40 0.59 5.22 1.13 -0.54 -4.59 117.35 119.34 1zhb s TYR 10 Ca -0.02 0.70 -0.10 0.00 -1.41 0.00 0.00 57.07 56.24 1zhb s TYR 10 Cb -0.14 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 1zhb s TYR 10 CO 0.02 -0.37 0.98 -1.54 -2.51 0.00 0.00 175.55 172.13 1zhb s SER 11 N -1.08 6.26 -0.08 -0.18 1.04 -1.26 0.50 113.70 118.90 1zhb s SER 11 Ca -0.03 1.32 -0.20 0.00 0.48 0.00 0.00 55.95 57.53 1zhb s SER 11 Cb -0.01 -2.43 -0.16 0.00 0.10 0.00 0.00 66.02 63.53 1zhb s SER 11 CO 0.02 -0.80 0.75 -0.09 0.98 0.00 0.00 173.24 174.11 1zhb h ARG 12 N -0.14 -0.13 -6.18 4.02 2.43 -1.60 -3.46 114.38 109.32 1zhb h ARG 12 Ca -0.45 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.26 1zhb h ARG 12 Cb 1.19 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1zhb h ARG 12 CO 0.62 0.36 -0.45 -1.01 -1.51 0.00 0.00 179.97 177.98 1zhb s HIS 13 N -2.95 3.38 -0.21 2.20 3.76 -1.26 -5.04 115.29 115.18 1zhb s HIS 13 Ca -0.12 -0.03 -0.39 0.00 -0.15 0.00 0.00 55.06 54.37 1zhb s HIS 13 Cb -0.00 -1.54 -0.15 0.00 1.11 0.00 0.00 32.58 31.99 1zhb s HIS 13 CO 0.46 0.46 1.74 -2.30 -0.85 0.00 0.00 174.74 174.26 1zhb n PRO 14 N -1.28 1.39 -2.03 8.40 -0.02 -1.26 -4.88 135.00 135.31 1zhb n PRO 14 Ca -0.09 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 1zhb n PRO 14 Cb 0.57 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1zhb n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1zhb s PRO 15 N 3.39 3.98 -0.15 0.52 0.04 -1.26 -5.02 135.00 136.50 1zhb s PRO 15 Ca 0.96 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 64.11 1zhb s PRO 15 Cb -0.98 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 30.84 1zhb s PRO 15 CO 0.61 -0.50 0.37 -2.00 0.04 0.00 0.00 177.00 175.52 1zhb s GLU 16 N -2.22 0.35 0.19 4.56 2.12 -1.26 -5.13 118.70 117.31 1zhb s GLU 16 Ca 0.56 0.72 -0.31 0.00 0.36 0.00 0.00 54.97 56.31 1zhb s GLU 16 Cb -0.39 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 33.87 1zhb s GLU 16 CO 0.50 -0.16 1.42 -0.80 -0.54 0.00 0.00 175.26 175.69 1zhb s ASN 17 N 1.33 6.74 0.00 -1.70 0.01 -1.26 -2.66 114.94 117.41 1zhb s ASN 17 Ca -0.09 2.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 1zhb s ASN 17 Cb -0.09 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1zhb s ASN 17 CO -0.11 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.42 1zhb n GLY 18 N 2.86 0.86 3.48 0.66 0.00 0.13 -4.99 105.19 108.18 1zhb n GLY 18 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1zhb n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhb s LYS 19 N -0.05 3.63 0.29 1.61 2.20 -1.09 -4.97 119.74 121.36 1zhb s LYS 19 Ca 0.00 -0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 54.78 1zhb s LYS 19 Cb 0.00 -2.89 -0.14 0.00 -1.51 0.00 0.00 37.83 33.29 1zhb s LYS 19 CO 0.00 0.21 1.09 -2.30 -0.36 0.00 0.00 175.35 174.00 1zhb n PRO 20 N 3.60 1.53 -3.92 4.03 -0.02 -1.26 -4.20 135.00 134.76 1zhb n PRO 20 Ca -0.17 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 1zhb n PRO 20 Cb 0.52 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1zhb n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1zhb s ASN 21 N -0.44 0.36 0.05 2.55 3.84 -0.42 -5.01 114.94 115.87 1zhb s ASN 21 Ca 0.59 -1.27 0.08 0.00 0.21 0.00 0.00 52.86 52.48 1zhb s ASN 21 Cb -0.68 0.78 -0.03 0.00 -0.55 0.00 0.00 41.25 40.77 1zhb s ASN 21 CO 0.60 -1.53 -0.24 -0.63 -2.79 0.00 0.00 177.10 172.51 1zhb s ILE 22 N -2.62 1.91 -0.18 -5.21 1.09 -1.26 -1.82 121.20 113.11 1zhb s ILE 22 Ca 0.21 -1.34 -0.04 0.00 -1.10 0.00 0.00 60.65 58.38 1zhb s ILE 22 Cb -0.03 -1.66 -0.02 0.00 -1.06 0.00 0.00 42.46 39.69 1zhb s ILE 22 CO 0.15 0.25 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.99 1zhb s LEU 23 N -1.31 3.17 -0.10 2.97 2.96 0.07 -1.35 118.68 125.10 1zhb s LEU 23 Ca 0.10 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1zhb s LEU 23 Cb -0.09 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1zhb s LEU 23 CO 0.02 0.10 0.04 0.20 -1.32 0.00 0.00 176.35 175.40 1zhb s ASN 24 N 0.77 5.56 -0.28 3.68 0.01 0.18 -1.79 114.94 123.07 1zhb s ASN 24 Ca -0.01 0.23 -0.03 0.00 -0.71 0.00 0.00 52.86 52.35 1zhb s ASN 24 Cb -0.14 -1.65 0.03 0.00 0.41 0.00 0.00 41.25 39.90 1zhb s ASN 24 CO 0.02 0.38 -0.01 0.00 -1.51 0.00 0.00 177.10 175.98 1zhb s TYR 26 N 1.32 3.30 -0.24 0.00 5.04 0.12 -0.27 117.35 126.63 1zhb s TYR 26 Ca -0.02 -1.34 -0.08 0.00 -2.44 0.00 0.00 57.07 53.19 1zhb s TYR 26 Cb -0.18 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 1zhb s TYR 26 CO -0.02 -0.79 0.09 0.08 -1.34 0.00 0.00 175.55 173.57 1zhb s VAL 27 N 1.47 4.67 0.25 3.14 1.01 -0.42 -0.89 120.40 129.64 1zhb s VAL 27 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1zhb s VAL 27 Cb -0.22 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1zhb s VAL 27 CO 0.04 0.35 0.12 0.42 0.00 0.00 0.00 175.10 176.03 1zhb s THR 28 N 1.28 0.38 -1.20 3.92 -4.23 0.39 -0.98 115.64 115.20 1zhb s THR 28 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1zhb s THR 28 Cb -0.15 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1zhb s THR 28 CO 0.04 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.79 1zhb n GLN 29 N -0.44 -0.87 -3.93 3.99 -0.06 -0.92 -0.56 117.38 114.59 1zhb n GLN 29 Ca 0.01 0.82 -0.21 0.00 -2.00 0.00 0.00 57.00 55.61 1zhb n GLN 29 Cb 0.66 -4.88 -0.04 0.00 -4.06 0.00 0.00 30.24 21.93 1zhb n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1zhb s PHE 30 N -2.49 3.00 -0.29 3.69 -0.71 -1.19 -4.18 117.98 115.81 1zhb s PHE 30 Ca 0.00 -0.22 -0.19 0.00 -1.04 0.00 0.00 56.93 55.48 1zhb s PHE 30 Cb 0.00 -1.63 0.13 0.00 -1.21 0.00 0.00 43.02 40.30 1zhb s PHE 30 CO 0.00 0.32 0.95 -1.58 -1.34 0.00 0.00 175.22 173.57 1zhb s HIS 31 N -2.23 -0.61 0.88 3.49 2.46 -0.61 -1.64 115.29 117.03 1zhb s HIS 31 Ca 0.38 1.30 -0.13 0.00 0.47 0.00 0.00 55.06 57.07 1zhb s HIS 31 Cb -0.07 0.39 0.13 0.00 -0.13 0.00 0.00 32.58 32.90 1zhb s HIS 31 CO 0.26 -0.30 1.20 -1.25 -2.47 0.00 0.00 174.74 172.18 1zhb s PRO 32 N 1.01 1.37 0.39 2.88 0.04 -1.26 -1.07 135.00 138.35 1zhb s PRO 32 Ca -0.05 0.03 0.20 0.00 0.04 0.00 0.00 61.00 61.22 1zhb s PRO 32 Cb -0.04 -1.89 0.69 0.00 0.04 0.00 0.00 34.50 33.30 1zhb s PRO 32 CO -0.12 -1.99 1.73 -1.00 0.04 0.00 0.00 177.00 175.66 1zhb h PRO 33 N -1.34 0.00 -6.46 0.56 0.13 -1.99 -3.44 132.00 119.46 1zhb h PRO 33 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 1zhb h PRO 33 Cb 1.31 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.49 1zhb h PRO 33 CO 0.58 0.34 0.82 1.58 -0.23 0.00 0.00 178.00 181.09 1zhb n HIS 34 N -3.47 2.23 -3.63 1.56 -0.00 -1.26 -4.95 115.22 105.70 1zhb n HIS 34 Ca 0.00 0.26 -0.13 0.00 0.46 0.00 0.00 57.72 58.31 1zhb n HIS 34 Cb 0.51 -2.54 -0.07 0.00 -0.12 0.00 0.00 29.99 27.76 1zhb n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1zhb s ILE 35 N 1.33 0.00 -0.16 3.57 2.07 -1.26 -4.69 121.20 122.06 1zhb s ILE 35 Ca 0.81 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 60.01 1zhb s ILE 35 Cb -0.70 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.86 1zhb s ILE 35 CO 0.40 0.00 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.80 1zhb s GLU 36 N 0.34 3.69 -0.05 3.50 2.02 -0.51 -4.99 118.70 122.69 1zhb s GLU 36 Ca 0.00 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.55 1zhb s GLU 36 Cb -0.05 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1zhb s GLU 36 CO -0.00 0.26 -0.21 0.42 0.02 0.00 0.00 175.26 175.75 1zhb s ILE 37 N 0.33 1.76 0.02 -1.63 1.01 -1.26 -0.91 121.20 120.52 1zhb s ILE 37 Ca -0.03 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1zhb s ILE 37 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1zhb s ILE 37 CO 0.03 0.49 -0.11 -1.10 0.00 0.00 0.00 174.94 174.25 1zhb s GLN 38 N -0.03 0.79 -0.12 2.79 -0.21 -0.04 -4.98 119.66 117.86 1zhb s GLN 38 Ca -0.05 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 1zhb s GLN 38 Cb -0.13 -0.75 -0.02 0.00 1.00 0.00 0.00 33.01 33.11 1zhb s GLN 38 CO 0.03 0.19 -0.09 -1.64 -2.12 0.00 0.00 175.29 171.66 1zhb s MET 39 N -0.91 3.32 -0.04 2.91 -1.94 -1.26 0.76 119.30 122.14 1zhb s MET 39 Ca 0.00 -0.62 0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1zhb s MET 39 Cb -0.07 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 1zhb s MET 39 CO 0.01 0.31 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.57 1zhb s LEU 40 N 0.12 2.07 -0.27 -0.03 1.43 0.79 -1.19 118.68 121.59 1zhb s LEU 40 Ca -0.04 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1zhb s LEU 40 Cb -0.14 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1zhb s LEU 40 CO 0.04 0.27 -0.04 -0.75 0.23 0.00 0.00 176.35 176.10 1zhb s LYS 41 N -0.34 2.68 -1.46 1.70 2.20 -0.07 -0.66 119.74 123.79 1zhb s LYS 41 Ca 0.02 -1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 54.46 1zhb s LYS 41 Cb -0.12 -3.05 0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1zhb s LYS 41 CO 0.02 -0.48 0.84 0.09 -0.36 0.00 0.00 175.35 175.46 1zhb n ASN 42 N 4.65 -3.23 0.00 1.43 3.02 0.60 -1.80 115.26 119.91 1zhb n ASN 42 Ca -0.15 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1zhb n ASN 42 Cb 0.46 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 1zhb n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhb n GLY 43 N -1.67 0.86 3.35 7.41 0.00 -1.26 -5.02 105.19 108.86 1zhb n GLY 43 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1zhb n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhb s LYS 44 N -0.06 1.89 0.24 1.61 2.20 -0.75 -5.08 119.74 119.80 1zhb s LYS 44 Ca 0.00 -1.06 -0.30 0.00 -0.36 0.00 0.00 55.97 54.25 1zhb s LYS 44 Cb 0.00 -2.01 -0.10 0.00 -1.51 0.00 0.00 37.83 34.20 1zhb s LYS 44 CO 0.00 0.53 1.50 0.21 -0.36 0.00 0.00 175.35 177.23 1zhb s LYS 45 N -1.13 4.22 -0.17 4.03 2.20 -1.26 -0.90 119.74 126.74 1zhb s LYS 45 Ca 0.12 2.38 -0.27 0.00 -0.36 0.00 0.00 55.97 57.83 1zhb s LYS 45 Cb -0.10 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1zhb s LYS 45 CO 0.02 -0.51 0.91 0.42 -0.36 0.00 0.00 175.35 175.84 1zhb s ILE 46 N 0.23 4.82 0.05 5.43 1.01 -0.34 -4.82 121.20 127.58 1zhb s ILE 46 Ca 0.62 1.81 -0.29 0.00 0.00 0.00 0.00 60.65 62.79 1zhb s ILE 46 Cb -0.44 -4.21 -0.17 0.00 0.01 0.00 0.00 42.46 37.65 1zhb s ILE 46 CO 0.42 -0.02 1.50 1.55 0.00 0.00 0.00 174.94 178.38 1zhb h PRO 47 N 7.31 -0.60 -3.61 2.79 0.13 -1.93 -3.39 132.00 132.70 1zhb h PRO 47 Ca -0.28 0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.16 1zhb h PRO 47 Cb 1.12 0.14 -0.32 0.00 0.13 0.00 0.00 31.00 32.07 1zhb h PRO 47 CO 0.87 -0.34 -0.12 0.21 -0.23 0.00 0.00 178.00 178.39 1zhb s LYS 48 N -5.58 3.12 -0.16 0.86 2.47 -1.26 -5.02 119.74 114.17 1zhb s LYS 48 Ca -0.16 -2.68 -0.03 0.00 -1.56 0.00 0.00 55.97 51.54 1zhb s LYS 48 Cb 0.03 -4.04 -0.02 0.00 -1.46 0.00 0.00 37.83 32.34 1zhb s LYS 48 CO 0.59 -1.23 -0.05 0.08 0.16 0.00 0.00 175.35 174.90 1zhb s VAL 49 N -0.29 3.68 0.04 4.02 1.01 -1.26 -4.76 120.40 122.84 1zhb s VAL 49 Ca 0.20 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1zhb s VAL 49 Cb -0.14 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1zhb s VAL 49 CO -0.07 0.48 0.68 -1.61 0.00 0.00 0.00 175.10 174.59 1zhb s GLU 50 N 0.57 4.41 -0.07 2.72 0.41 -0.02 -4.93 118.70 121.77 1zhb s GLU 50 Ca -0.04 0.91 0.02 0.00 -0.41 0.00 0.00 54.97 55.46 1zhb s GLU 50 Cb -0.15 -3.33 0.01 0.00 -1.78 0.00 0.00 34.13 28.88 1zhb s GLU 50 CO 0.03 0.38 -0.13 1.41 -0.49 0.00 0.00 175.26 176.46 1zhb s MET 51 N -0.32 1.84 0.67 1.61 1.75 -1.26 -0.92 119.30 122.66 1zhb s MET 51 Ca 0.34 -0.45 -0.12 0.00 -1.25 0.00 0.00 55.69 54.21 1zhb s MET 51 Cb -0.20 -1.52 -0.00 0.00 2.84 0.00 0.00 34.83 35.95 1zhb s MET 51 CO 0.21 0.02 1.06 -1.54 -0.65 0.00 0.00 175.02 174.12 1zhb s SER 52 N 0.71 5.41 0.59 1.11 1.04 -0.63 -5.01 113.70 116.92 1zhb s SER 52 Ca -0.14 1.70 -0.09 0.00 0.48 0.00 0.00 55.95 57.90 1zhb s SER 52 Cb -0.16 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1zhb s SER 52 CO 0.03 -1.42 0.96 -1.81 0.98 0.00 0.00 173.24 171.98 1zhb s ASP 53 N -3.46 6.07 0.08 7.02 1.01 -1.26 -4.73 116.67 121.40 1zhb s ASP 53 Ca 0.60 1.17 -0.32 0.00 0.71 0.00 0.00 52.55 54.71 1zhb s ASP 53 Cb -0.15 -2.26 -0.11 0.00 1.01 0.00 0.00 42.92 41.41 1zhb s ASP 53 CO 0.50 -0.87 1.82 0.80 0.21 0.00 0.00 175.17 177.62 1zhb n MET 54 N -2.63 2.57 -3.97 8.23 0.00 -1.26 -4.90 117.12 115.15 1zhb n MET 54 Ca 0.04 0.93 -0.08 0.00 -0.00 0.00 0.00 57.70 58.60 1zhb n MET 54 Cb 0.55 -2.80 -0.09 0.00 0.00 0.00 0.00 33.22 30.88 1zhb n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1zhb s SER 55 N 2.86 0.30 0.04 6.12 0.01 -1.25 -5.07 113.70 116.71 1zhb s SER 55 Ca 0.84 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 57.30 1zhb s SER 55 Cb -0.55 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1zhb s SER 55 CO 0.41 -0.65 -0.05 0.72 0.41 0.00 0.00 173.24 174.08 1zhb s PHE 56 N -3.79 0.54 0.70 2.43 -0.12 -1.26 -1.81 117.98 114.66 1zhb s PHE 56 Ca 0.05 -0.68 -0.02 0.00 -0.05 0.00 0.00 56.93 56.23 1zhb s PHE 56 Cb 0.06 -0.35 0.10 0.00 -0.63 0.00 0.00 43.02 42.20 1zhb s PHE 56 CO -0.10 -0.18 0.97 -1.12 -0.05 0.00 0.00 175.22 174.74 1zhb s SER 57 N -2.01 4.53 0.11 1.98 0.01 0.42 -4.91 113.70 113.83 1zhb s SER 57 Ca -0.06 -0.12 0.15 0.00 1.31 0.00 0.00 55.95 57.23 1zhb s SER 57 Cb -0.04 -0.38 0.66 0.00 0.21 0.00 0.00 66.02 66.46 1zhb s SER 57 CO -0.03 -1.73 1.45 2.29 0.41 0.00 0.00 173.24 175.64 1zhb n LYS 58 N -2.80 0.07 -0.29 12.44 2.85 -1.26 -0.15 118.16 129.02 1zhb n LYS 58 Ca 0.12 0.40 0.07 0.00 -1.05 0.00 0.00 58.31 57.86 1zhb n LYS 58 Cb 0.60 -1.66 0.21 0.00 -0.65 0.00 0.00 35.03 33.53 1zhb n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1zhb n ASP 59 N -1.80 2.70 0.00 -5.58 5.68 -1.26 -4.94 116.55 111.36 1zhb n ASP 59 Ca 0.02 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1zhb n ASP 59 Cb 0.13 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1zhb n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1zhb n TRP 60 N 0.78 0.00 -2.72 2.11 7.02 0.78 -5.01 117.44 120.40 1zhb n TRP 60 Ca 0.16 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.30 1zhb n TRP 60 Cb 0.46 -0.09 -0.06 0.00 -2.42 0.00 0.00 31.31 29.20 1zhb n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zhb s SER 61 N -3.77 6.75 0.35 -0.99 1.04 -1.26 -4.67 113.70 111.15 1zhb s SER 61 Ca 0.00 1.76 -0.00 0.00 0.48 0.00 0.00 55.95 58.18 1zhb s SER 61 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1zhb s SER 61 CO 0.00 -0.50 0.57 -0.36 0.98 0.00 0.00 173.24 173.93 1zhb s PHE 62 N -2.13 3.50 -0.11 5.02 0.40 -0.65 -0.44 117.98 123.57 1zhb s PHE 62 Ca 0.63 0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 57.19 1zhb s PHE 62 Cb -0.11 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.52 1zhb s PHE 62 CO 0.16 0.10 0.46 1.52 0.70 0.00 0.00 175.22 178.15 1zhb s TYR 63 N -2.33 -0.44 0.02 0.36 1.13 -0.75 -2.15 117.35 113.18 1zhb s TYR 63 Ca 0.41 0.94 0.02 0.00 -1.41 0.00 0.00 57.07 57.03 1zhb s TYR 63 Cb -0.10 0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 40.94 1zhb s TYR 63 CO 0.36 -0.35 -0.07 0.42 -2.51 0.00 0.00 175.55 173.40 1zhb s ILE 64 N -0.47 0.54 -0.22 -3.49 -1.09 -0.15 -3.88 121.20 112.44 1zhb s ILE 64 Ca -0.06 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 1zhb s ILE 64 Cb -0.03 -0.53 0.02 0.00 -1.58 0.00 0.00 42.46 40.34 1zhb s ILE 64 CO 0.03 -0.08 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.33 1zhb s LEU 65 N -0.79 2.76 -0.07 2.97 2.96 -1.26 -1.30 118.68 123.94 1zhb s LEU 65 Ca -0.03 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.16 1zhb s LEU 65 Cb -0.06 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1zhb s LEU 65 CO 0.00 -0.06 0.13 0.00 -1.32 0.00 0.00 176.35 175.10 1zhb s ALA 66 N 1.35 3.80 0.04 5.97 0.00 0.62 -1.60 121.76 131.94 1zhb s ALA 66 Ca 0.03 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1zhb s ALA 66 Cb -0.15 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.16 1zhb s ALA 66 CO -0.07 0.66 0.40 -3.38 0.00 0.00 0.00 175.76 173.37 1zhb s HIS 67 N -1.11 -0.25 -0.03 0.00 -0.00 -0.10 0.48 115.29 114.29 1zhb s HIS 67 Ca 0.19 0.21 -0.12 0.00 -0.00 0.00 0.00 55.06 55.34 1zhb s HIS 67 Cb -0.12 0.20 0.02 0.00 -0.00 0.00 0.00 32.58 32.68 1zhb s HIS 67 CO 0.09 -0.55 0.27 -0.08 -0.00 0.00 0.00 174.74 174.47 1zhb s THR 68 N -2.38 0.05 0.17 -5.38 -1.32 -0.74 -0.84 115.64 105.20 1zhb s THR 68 Ca -0.06 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 1zhb s THR 68 Cb -0.01 -0.54 -0.08 0.00 -1.51 0.00 0.00 72.50 70.35 1zhb s THR 68 CO -0.02 -0.24 1.33 -1.61 -2.21 0.00 0.00 174.62 171.88 1zhb s GLU 69 N -1.06 4.37 0.08 7.08 2.02 -1.26 -0.75 118.70 129.17 1zhb s GLU 69 Ca -0.11 2.05 -0.23 0.00 0.02 0.00 0.00 54.97 56.70 1zhb s GLU 69 Cb -0.05 -3.21 0.06 0.00 0.10 0.00 0.00 34.13 31.02 1zhb s GLU 69 CO 0.03 -0.31 0.55 -0.59 0.02 0.00 0.00 175.26 174.96 1zhb s PHE 70 N 0.44 -0.46 -0.35 1.61 -0.71 -0.75 -4.91 117.98 112.84 1zhb s PHE 70 Ca 0.59 0.43 0.03 0.00 -1.04 0.00 0.00 56.93 56.94 1zhb s PHE 70 Cb -0.36 0.41 0.10 0.00 -1.21 0.00 0.00 43.02 41.96 1zhb s PHE 70 CO 0.36 -0.71 0.08 0.99 -1.34 0.00 0.00 175.22 174.59 1zhb s THR 71 N -2.88 1.93 0.09 -4.49 2.01 -1.26 -1.31 115.64 109.73 1zhb s THR 71 Ca -0.03 -2.18 -0.31 0.00 0.31 0.00 0.00 61.69 59.48 1zhb s THR 71 Cb -0.00 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 1zhb s THR 71 CO -0.05 -0.64 1.47 -2.16 -0.69 0.00 0.00 174.62 172.55 1zhb s PRO 72 N 0.99 4.27 0.48 4.92 0.04 -1.26 -4.68 135.00 139.76 1zhb s PRO 72 Ca 0.11 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1zhb s PRO 72 Cb -0.19 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 30.99 1zhb s PRO 72 CO -0.11 -0.55 0.67 0.95 0.04 0.00 0.00 177.00 177.99 1zhb s THR 73 N 1.73 2.81 0.42 1.26 -4.23 -1.26 0.18 115.64 116.54 1zhb s THR 73 Ca 0.67 -0.87 0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1zhb s THR 73 Cb -0.37 -2.94 0.16 0.00 1.34 0.00 0.00 72.50 70.69 1zhb s THR 73 CO 0.30 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.37 1zhb h GLU 74 N 0.38 0.06 0.00 3.99 9.09 -1.96 -3.29 114.58 122.85 1zhb h GLU 74 Ca -0.40 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 58.95 1zhb h GLU 74 Cb 1.29 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1zhb h GLU 74 CO 0.47 0.26 -2.01 -2.37 0.05 0.00 0.00 179.01 175.41 1zhb n THR 75 N -4.27 0.17 -2.34 -1.06 5.66 -1.26 -4.95 114.28 106.23 1zhb n THR 75 Ca -0.02 -0.53 -0.42 0.00 -3.05 0.00 0.00 64.05 60.04 1zhb n THR 75 Cb 0.28 -0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 1zhb n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1zhb s ASP 76 N -4.55 7.02 -0.02 1.09 1.01 -1.24 -5.02 116.67 114.96 1zhb s ASP 76 Ca -0.08 2.19 0.01 0.00 0.71 0.00 0.00 52.55 55.39 1zhb s ASP 76 Cb 0.13 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1zhb s ASP 76 CO 0.87 -0.47 -0.02 0.42 0.21 0.00 0.00 175.17 176.18 1zhb s THR 77 N 0.52 4.03 0.17 -1.27 -4.23 -1.26 -4.85 115.64 108.75 1zhb s THR 77 Ca 0.57 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1zhb s THR 77 Cb -0.33 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1zhb s THR 77 CO 0.33 0.42 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.35 1zhb s TYR 78 N -1.02 1.81 0.21 3.99 1.51 -1.26 -0.30 117.35 122.29 1zhb s TYR 78 Ca 0.18 -0.47 -0.14 0.00 -1.01 0.00 0.00 57.07 55.62 1zhb s TYR 78 Cb -0.11 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1zhb s TYR 78 CO 0.08 0.33 0.45 0.00 -1.11 0.00 0.00 175.55 175.30 1zhb s ALA 79 N -2.09 -0.48 -0.12 3.71 0.00 0.16 -1.36 121.76 121.58 1zhb s ALA 79 Ca 0.16 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1zhb s ALA 79 Cb -0.05 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1zhb s ALA 79 CO 0.07 -0.79 -0.22 0.00 0.00 0.00 0.00 175.76 174.82 1zhb s ARG 81 N 0.66 3.51 -0.12 0.00 3.52 0.23 -1.61 118.95 125.15 1zhb s ARG 81 Ca -0.11 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 1zhb s ARG 81 Cb -0.16 -3.11 -0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1zhb s ARG 81 CO 0.02 -0.14 -0.19 0.08 -0.81 0.00 0.00 175.30 174.25 1zhb s VAL 82 N 1.40 2.42 -0.18 7.11 1.01 0.60 -0.86 120.40 131.90 1zhb s VAL 82 Ca 0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1zhb s VAL 82 Cb -0.15 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 1zhb s VAL 82 CO -0.00 0.54 -0.10 -0.75 0.00 0.00 0.00 175.10 174.79 1zhb s LYS 83 N 0.46 3.30 -0.05 2.72 2.20 -0.09 -1.30 119.74 126.99 1zhb s LYS 83 Ca -0.14 -0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 54.61 1zhb s LYS 83 Cb -0.17 -2.80 0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1zhb s LYS 83 CO 0.06 -0.08 0.41 -1.58 -0.36 0.00 0.00 175.35 173.80 1zhb s HIS 84 N 1.10 -0.33 0.61 4.03 2.46 -1.26 -1.42 115.29 120.48 1zhb s HIS 84 Ca 0.00 0.61 0.34 0.00 0.47 0.00 0.00 55.06 56.48 1zhb s HIS 84 Cb -0.15 0.17 1.97 0.00 -0.13 0.00 0.00 32.58 34.44 1zhb s HIS 84 CO -0.03 -0.41 2.26 -0.44 -2.47 0.00 0.00 174.74 173.66 1zhb h ASP 85 N 3.98 0.00 0.53 9.88 3.32 -1.93 0.48 116.42 132.68 1zhb h ASP 85 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1zhb h ASP 85 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1zhb h ASP 85 CO 0.37 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.35 1zhb n SER 86 N -3.60 0.00 -4.04 6.45 3.41 -1.26 -4.67 113.62 109.91 1zhb n SER 86 Ca -0.02 0.25 -0.25 0.00 -0.26 0.00 0.00 58.87 58.58 1zhb n SER 86 Cb 0.12 -0.39 -0.17 0.00 -0.26 0.00 0.00 64.21 63.51 1zhb n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1zhb s MET 87 N -2.79 1.84 0.29 4.33 -1.94 0.16 -4.94 119.30 116.26 1zhb s MET 87 Ca 0.14 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1zhb s MET 87 Cb 0.13 -1.51 0.51 0.00 2.01 0.00 0.00 34.83 35.98 1zhb s MET 87 CO 0.34 0.03 1.90 0.00 -0.01 0.00 0.00 175.02 177.28 1zhb h ALA 88 N 6.97 1.50 -2.74 3.03 0.00 -1.83 -3.42 119.26 122.77 1zhb h ALA 88 Ca -0.30 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1zhb h ALA 88 Cb 1.19 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 1zhb h ALA 88 CO 0.47 0.35 -0.79 -1.21 0.00 0.00 0.00 179.25 178.07 1zhb s GLU 89 N -5.93 1.52 0.17 0.00 0.41 -1.26 -5.07 118.70 108.53 1zhb s GLU 89 Ca -0.12 -1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 52.55 1zhb s GLU 89 Cb 0.20 -1.67 -0.08 0.00 -1.78 0.00 0.00 34.13 30.80 1zhb s GLU 89 CO 0.80 0.34 1.26 -2.14 -0.49 0.00 0.00 175.26 175.03 1zhb s PRO 90 N -3.05 4.43 -0.11 0.39 0.02 -1.26 -4.80 135.00 130.63 1zhb s PRO 90 Ca 0.23 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 1zhb s PRO 90 Cb -0.06 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1zhb s PRO 90 CO 0.11 -0.20 0.45 0.21 -0.33 0.00 0.00 177.00 177.23 1zhb s LYS 91 N 0.05 4.28 -0.17 5.54 2.20 -0.42 -4.86 119.74 126.36 1zhb s LYS 91 Ca 0.56 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.54 1zhb s LYS 91 Cb -0.34 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1zhb s LYS 91 CO 0.36 0.24 -0.04 0.99 -0.36 0.00 0.00 175.35 176.53 1zhb s THR 92 N 0.38 3.69 -0.11 3.43 2.01 -1.26 -0.29 115.64 123.49 1zhb s THR 92 Ca 0.24 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1zhb s THR 92 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1zhb s THR 92 CO 0.10 0.47 -0.22 0.54 -0.69 0.00 0.00 174.62 174.83 1zhb s VAL 93 N 0.67 1.93 0.11 3.82 0.11 -0.63 -4.96 120.40 121.44 1zhb s VAL 93 Ca -0.03 -0.93 -0.20 0.00 -2.93 0.00 0.00 61.98 57.90 1zhb s VAL 93 Cb -0.15 -1.69 -0.07 0.00 -1.53 0.00 0.00 36.38 32.95 1zhb s VAL 93 CO 0.02 0.53 0.63 -0.31 -3.33 0.00 0.00 175.10 172.64 1zhb s TYR 94 N 0.56 3.80 0.11 1.54 1.51 -1.26 -1.19 117.35 122.42 1zhb s TYR 94 Ca -0.14 1.36 -0.31 0.00 -1.01 0.00 0.00 57.07 56.97 1zhb s TYR 94 Cb -0.17 -2.56 -0.10 0.00 -0.11 0.00 0.00 41.96 39.02 1zhb s TYR 94 CO 0.04 0.54 1.82 -0.46 -1.11 0.00 0.00 175.55 176.39 1zhb s TRP 95 N -1.18 2.11 -0.22 2.71 -0.00 -0.46 -4.87 118.94 117.02 1zhb s TRP 95 Ca 0.32 -0.02 -0.03 0.00 -0.00 0.00 0.00 56.10 56.37 1zhb s TRP 95 Cb -0.20 -4.16 -0.00 0.00 -0.00 0.00 0.00 33.47 29.11 1zhb s TRP 95 CO 0.21 -4.81 -0.05 0.34 -0.00 0.00 0.00 176.95 172.64 1zhb s ASP 96 N 2.82 4.25 0.00 5.86 -1.08 -1.26 -4.75 116.67 122.50 1zhb s ASP 96 Ca 0.81 -0.48 0.02 0.00 -0.52 0.00 0.00 52.55 52.38 1zhb s ASP 96 Cb -0.45 -1.72 0.09 0.00 -1.46 0.00 0.00 42.92 39.39 1zhb s ASP 96 CO 0.36 -0.04 0.98 -2.11 0.52 0.00 0.00 175.17 174.89 1zhb n ARG 97 N 4.77 0.01 -0.01 4.34 1.85 -1.26 -2.73 116.66 123.64 1zhb n ARG 97 Ca -0.18 0.38 -0.03 0.00 -1.00 0.00 0.00 57.85 57.02 1zhb n ARG 97 Cb 0.50 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 1zhb n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1zhb n ASP 98 N -1.41 0.46 0.00 2.89 9.92 -1.26 -4.91 116.55 122.24 1zhb n ASP 98 Ca 0.01 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1zhb n ASP 98 Cb 0.02 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1zhb n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56