#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 1.49 -0.10 9.51 -2.07 -1.26 -4.72 119.66 122.51 1zhb s GLN 2 Ca 0.00 -0.68 -0.03 0.00 -1.82 0.00 0.00 55.36 52.83 1zhb s GLN 2 Cb 0.00 -1.45 -0.04 0.00 -1.09 0.00 0.00 33.01 30.44 1zhb s GLN 2 CO 0.00 0.40 0.04 0.15 -1.32 0.00 0.00 175.29 174.55 1zhb s LYS 3 N -0.48 3.12 -0.15 9.60 1.02 -0.85 -4.93 119.74 127.08 1zhb s LYS 3 Ca 0.07 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.62 1zhb s LYS 3 Cb -0.07 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1zhb s LYS 3 CO -0.01 0.72 0.21 -0.08 -0.92 0.00 0.00 175.35 175.27 1zhb s THR 4 N -0.90 5.37 0.25 2.17 -1.32 -1.26 -1.78 115.64 118.17 1zhb s THR 4 Ca 0.13 0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 60.69 1zhb s THR 4 Cb -0.12 -3.52 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 1zhb s THR 4 CO 0.03 0.49 1.29 -2.16 -2.21 0.00 0.00 174.62 172.05 1zhb s PRO 5 N -0.13 4.41 0.00 7.08 0.04 -1.26 -4.62 135.00 140.52 1zhb s PRO 5 Ca 0.14 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1zhb s PRO 5 Cb -0.12 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 1zhb s PRO 5 CO 0.03 -0.18 0.39 -0.65 0.04 0.00 0.00 177.00 176.63 1zhb s GLN 6 N -0.73 3.87 -0.06 4.56 -1.52 0.32 -4.91 119.66 121.20 1zhb s GLN 6 Ca 0.53 0.35 0.02 0.00 -1.95 0.00 0.00 55.36 54.31 1zhb s GLN 6 Cb -0.37 -3.19 0.01 0.00 -0.22 0.00 0.00 33.01 29.25 1zhb s GLN 6 CO 0.43 0.68 -0.11 0.42 -0.25 0.00 0.00 175.29 176.45 1zhb s ILE 7 N -1.12 1.03 -0.05 1.08 1.01 -1.26 -0.54 121.20 121.35 1zhb s ILE 7 Ca 0.24 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.50 1zhb s ILE 7 Cb -0.16 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1zhb s ILE 7 CO 0.13 0.33 -0.16 -1.10 0.00 0.00 0.00 174.94 174.14 1zhb s GLN 8 N 0.59 1.75 -0.25 2.79 -0.21 -0.25 -4.98 119.66 119.10 1zhb s GLN 8 Ca -0.12 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.69 1zhb s GLN 8 Cb -0.14 -1.50 0.03 0.00 1.00 0.00 0.00 33.01 32.40 1zhb s GLN 8 CO 0.03 0.19 -0.07 0.08 -2.12 0.00 0.00 175.29 173.40 1zhb s VAL 9 N 0.18 2.75 0.15 1.09 1.01 -1.26 -0.60 120.40 123.72 1zhb s VAL 9 Ca -0.06 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1zhb s VAL 9 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1zhb s VAL 9 CO 0.03 0.14 0.33 -0.72 0.00 0.00 0.00 175.10 174.88 1zhb s TYR 10 N 1.28 0.15 0.39 5.22 1.13 -0.69 -4.38 117.35 120.45 1zhb s TYR 10 Ca -0.02 -0.52 0.02 0.00 -1.41 0.00 0.00 57.07 55.15 1zhb s TYR 10 Cb -0.17 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1zhb s TYR 10 CO -0.05 -0.72 0.58 -1.54 -2.51 0.00 0.00 175.55 171.32 1zhb s SER 11 N -2.90 6.01 -0.06 -0.18 1.04 -1.26 0.16 113.70 116.50 1zhb s SER 11 Ca 0.11 0.22 -0.23 0.00 0.48 0.00 0.00 55.95 56.52 1zhb s SER 11 Cb 0.03 -1.61 -0.30 0.00 0.10 0.00 0.00 66.02 64.23 1zhb s SER 11 CO -0.05 -0.51 0.89 -0.09 0.98 0.00 0.00 173.24 174.46 1zhb h ARG 12 N 0.64 0.26 -6.24 4.02 2.43 -1.33 -3.46 114.38 110.70 1zhb h ARG 12 Ca -0.47 -0.44 -0.47 0.00 -0.81 0.00 0.00 59.98 57.78 1zhb h ARG 12 Cb 1.24 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 1zhb h ARG 12 CO 0.58 1.21 -0.41 -1.01 -1.51 0.00 0.00 179.97 178.82 1zhb s HIS 13 N -2.43 3.01 0.10 2.20 3.76 -1.26 -5.05 115.29 115.62 1zhb s HIS 13 Ca -0.14 -0.25 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 1zhb s HIS 13 Cb 0.00 -1.84 -0.10 0.00 1.11 0.00 0.00 32.58 31.75 1zhb s HIS 13 CO 0.81 0.14 1.87 -2.30 -0.85 0.00 0.00 174.74 174.41 1zhb n PRO 14 N -1.46 2.79 -1.83 8.40 -0.02 -1.26 -4.89 135.00 136.72 1zhb n PRO 14 Ca -0.02 1.02 -0.36 0.00 -2.02 0.00 0.00 63.50 62.11 1zhb n PRO 14 Cb 0.59 -2.92 0.06 0.00 -0.02 0.00 0.00 33.50 31.20 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 3.13 2.69 -0.25 0.52 0.04 -1.26 -5.02 135.00 134.85 1zhb s PRO 15 Ca 0.84 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.77 1zhb s PRO 15 Cb -0.48 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1zhb s PRO 15 CO 0.39 -1.46 0.50 -2.00 0.04 0.00 0.00 177.00 174.47 1zhb s GLU 16 N -3.40 0.44 0.15 4.56 2.12 -1.26 -5.11 118.70 116.19 1zhb s GLU 16 Ca 0.80 1.03 -0.32 0.00 0.36 0.00 0.00 54.97 56.84 1zhb s GLU 16 Cb -0.34 0.34 -0.12 0.00 0.26 0.00 0.00 34.13 34.27 1zhb s GLU 16 CO 0.37 -0.39 1.74 0.09 -0.54 0.00 0.00 175.26 176.54 1zhb n ASN 17 N 5.41 3.77 0.00 -1.70 3.02 -1.26 -1.02 115.26 123.48 1zhb n ASN 17 Ca -0.07 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1zhb n ASN 17 Cb 0.50 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1zhb n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhb n GLY 18 N 3.96 1.78 3.72 7.41 0.00 0.73 -4.99 105.19 117.80 1zhb n GLY 18 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 4.17 0.22 1.61 2.20 -0.18 -4.96 119.74 122.30 1zhb s LYS 19 Ca 0.00 -0.20 -0.32 0.00 -0.36 0.00 0.00 55.97 55.09 1zhb s LYS 19 Cb 0.00 -3.44 -0.14 0.00 -1.51 0.00 0.00 37.83 32.74 1zhb s LYS 19 CO 0.00 0.25 1.46 -2.30 -0.36 0.00 0.00 175.35 174.40 1zhb n PRO 20 N 3.67 2.07 -3.26 4.03 -0.02 -1.26 -4.26 135.00 135.98 1zhb n PRO 20 Ca -0.15 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1zhb n PRO 20 Cb 0.52 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1zhb n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zhb n ASN 21 N 2.51 -0.72 -3.97 2.55 2.85 0.11 -5.00 115.26 113.58 1zhb n ASN 21 Ca 0.13 -2.30 -0.24 0.00 -0.11 0.00 0.00 54.58 52.06 1zhb n ASN 21 Cb 0.31 1.44 -0.17 0.00 1.24 0.00 0.00 39.78 42.60 1zhb n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1zhb s ILE 22 N -2.75 0.99 -0.27 -1.44 1.01 -1.26 -1.80 121.20 115.67 1zhb s ILE 22 Ca 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 1zhb s ILE 22 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1zhb s ILE 22 CO 0.15 0.33 0.20 -0.22 0.00 0.00 0.00 174.94 175.40 1zhb s LEU 23 N 0.92 4.04 -0.06 2.97 2.96 -0.21 -0.73 118.68 128.58 1zhb s LEU 23 Ca -0.10 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1zhb s LEU 23 Cb -0.15 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1zhb s LEU 23 CO 0.01 -0.04 0.27 0.20 -1.32 0.00 0.00 176.35 175.47 1zhb s ASN 24 N 1.59 6.60 -0.22 3.68 0.01 0.12 -1.48 114.94 125.25 1zhb s ASN 24 Ca 0.08 0.71 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 1zhb s ASN 24 Cb -0.15 -2.16 0.05 0.00 0.41 0.00 0.00 41.25 39.39 1zhb s ASN 24 CO 0.10 0.37 -0.13 0.00 -1.51 0.00 0.00 177.10 175.92 1zhb s TYR 26 N 1.23 3.20 -0.20 0.00 5.04 0.23 -0.64 117.35 126.21 1zhb s TYR 26 Ca -0.03 -1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 53.17 1zhb s TYR 26 Cb -0.17 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.93 1zhb s TYR 26 CO -0.08 -0.70 -0.08 0.08 -1.34 0.00 0.00 175.55 173.43 1zhb s VAL 27 N 1.39 3.16 0.26 3.14 1.01 0.06 -1.09 120.40 128.33 1zhb s VAL 27 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1zhb s VAL 27 Cb -0.18 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1zhb s VAL 27 CO 0.01 0.46 0.11 0.42 0.00 0.00 0.00 175.10 176.09 1zhb s THR 28 N 1.26 0.48 -0.97 3.92 -4.23 0.30 -0.58 115.64 115.82 1zhb s THR 28 Ca 0.03 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1zhb s THR 28 Cb -0.14 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1zhb s THR 28 CO -0.03 0.00 0.28 1.67 -0.54 0.00 0.00 174.62 176.00 1zhb n GLN 29 N -0.48 -2.48 -4.43 3.99 -0.06 -0.68 -0.52 117.38 112.73 1zhb n GLN 29 Ca 0.00 0.56 -0.24 0.00 -2.00 0.00 0.00 57.00 55.32 1zhb n GLN 29 Cb 0.66 -4.69 -0.11 0.00 -4.06 0.00 0.00 30.24 22.05 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 -2.85 2.18 -0.25 3.69 -0.71 -1.13 -4.00 117.98 114.91 1zhb s PHE 30 Ca 0.14 -0.38 -0.20 0.00 -1.04 0.00 0.00 56.93 55.45 1zhb s PHE 30 Cb -0.06 -1.01 0.07 0.00 -1.21 0.00 0.00 43.02 40.81 1zhb s PHE 30 CO 0.17 0.57 0.65 -1.58 -1.34 0.00 0.00 175.22 173.69 1zhb s HIS 31 N -2.24 -0.82 0.90 3.49 2.46 -0.73 -1.51 115.29 116.84 1zhb s HIS 31 Ca 0.25 1.85 -0.13 0.00 0.47 0.00 0.00 55.06 57.49 1zhb s HIS 31 Cb -0.06 0.37 0.14 0.00 -0.13 0.00 0.00 32.58 32.91 1zhb s HIS 31 CO 0.12 -0.41 1.20 -1.25 -2.47 0.00 0.00 174.74 171.93 1zhb s PRO 32 N 0.83 1.20 0.11 2.88 0.04 -1.26 -2.00 135.00 136.80 1zhb s PRO 32 Ca -0.04 0.03 0.21 0.00 0.04 0.00 0.00 61.00 61.24 1zhb s PRO 32 Cb -0.05 -1.87 0.85 0.00 0.04 0.00 0.00 34.50 33.47 1zhb s PRO 32 CO -0.07 -2.11 1.65 -0.35 0.04 0.00 0.00 177.00 176.17 1zhb n PRO 33 N -3.65 0.09 -2.24 0.56 -0.04 -1.26 -4.69 135.00 123.76 1zhb n PRO 33 Ca 0.10 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1zhb n PRO 33 Cb 0.60 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1zhb n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1zhb s HIS 34 N -3.11 2.86 -0.09 0.54 2.46 -1.26 -4.99 115.29 111.69 1zhb s HIS 34 Ca 0.08 0.84 -0.19 0.00 0.47 0.00 0.00 55.06 56.26 1zhb s HIS 34 Cb 0.11 -3.64 0.04 0.00 -0.13 0.00 0.00 32.58 28.96 1zhb s HIS 34 CO 0.39 -2.37 0.46 -1.50 -2.47 0.00 0.00 174.74 169.25 1zhb s ILE 35 N 2.46 0.02 -0.17 0.89 2.07 -1.26 -4.65 121.20 120.56 1zhb s ILE 35 Ca 0.63 -0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1zhb s ILE 35 Cb -0.31 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.56 1zhb s ILE 35 CO 0.26 -0.09 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.44 1zhb s GLU 36 N -0.63 3.22 -0.13 3.50 2.02 -0.63 -5.01 118.70 121.04 1zhb s GLU 36 Ca -0.07 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1zhb s GLU 36 Cb -0.03 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1zhb s GLU 36 CO 0.04 -0.03 -0.19 0.42 0.02 0.00 0.00 175.26 175.51 1zhb s ILE 37 N 0.95 1.85 0.11 -1.63 1.01 -1.26 -0.19 121.20 122.05 1zhb s ILE 37 Ca -0.03 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.87 1zhb s ILE 37 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1zhb s ILE 37 CO -0.02 0.51 -0.21 -1.10 0.00 0.00 0.00 174.94 174.12 1zhb s GLN 38 N 0.90 1.69 -0.07 2.79 -0.21 0.38 -4.98 119.66 120.15 1zhb s GLN 38 Ca -0.06 -1.21 0.05 0.00 0.02 0.00 0.00 55.36 54.15 1zhb s GLN 38 Cb -0.15 -2.05 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 1zhb s GLN 38 CO -0.02 0.48 -0.23 -1.64 -2.12 0.00 0.00 175.29 171.75 1zhb s MET 39 N -2.03 2.61 0.04 2.91 -1.94 -1.26 -0.15 119.30 119.48 1zhb s MET 39 Ca 0.16 -0.84 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1zhb s MET 39 Cb -0.10 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 1zhb s MET 39 CO 0.08 0.27 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.64 1zhb s LEU 40 N 0.09 2.16 -0.15 -0.03 1.43 0.13 -0.80 118.68 121.51 1zhb s LEU 40 Ca -0.10 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1zhb s LEU 40 Cb -0.15 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.06 1zhb s LEU 40 CO 0.06 0.18 -0.19 -0.75 0.23 0.00 0.00 176.35 175.87 1zhb s LYS 41 N -1.16 2.79 -1.58 1.70 2.20 0.79 -1.52 119.74 122.95 1zhb s LYS 41 Ca 0.08 -0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 1zhb s LYS 41 Cb -0.09 -2.34 0.16 0.00 -1.51 0.00 0.00 37.83 34.04 1zhb s LYS 41 CO 0.02 -0.11 0.65 0.09 -0.36 0.00 0.00 175.35 175.64 1zhb n ASN 42 N 4.34 -2.93 0.00 1.43 3.02 0.07 -0.35 115.26 120.84 1zhb n ASN 42 Ca -0.20 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1zhb n ASN 42 Cb 0.51 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -1.22 0.81 3.49 7.41 0.00 -1.26 -5.03 105.19 109.39 1zhb n GLY 43 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.26 3.18 -0.08 1.61 2.20 0.52 -5.04 119.74 121.87 1zhb s LYS 44 Ca 0.00 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1zhb s LYS 44 Cb 0.00 -2.68 -0.06 0.00 -1.51 0.00 0.00 37.83 33.58 1zhb s LYS 44 CO 0.00 0.41 1.81 0.21 -0.36 0.00 0.00 175.35 177.42 1zhb s LYS 45 N -0.14 3.97 0.02 4.03 2.20 -1.26 -0.15 119.74 128.40 1zhb s LYS 45 Ca 0.01 2.19 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 1zhb s LYS 45 Cb -0.13 -4.09 -0.06 0.00 -1.51 0.00 0.00 37.83 32.03 1zhb s LYS 45 CO 0.03 -1.12 1.44 0.42 -0.36 0.00 0.00 175.35 175.76 1zhb s ILE 46 N 4.90 3.59 0.04 5.43 1.01 0.02 -4.91 121.20 131.27 1zhb s ILE 46 Ca 0.81 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 1zhb s ILE 46 Cb -0.34 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.32 1zhb s ILE 46 CO 0.34 0.00 1.40 1.55 0.00 0.00 0.00 174.94 178.23 1zhb h PRO 47 N 7.85 -0.69 -3.97 2.79 0.13 -1.92 -3.40 132.00 132.80 1zhb h PRO 47 Ca -0.39 0.05 -0.75 0.00 -0.87 0.00 0.00 66.00 64.04 1zhb h PRO 47 Cb 1.18 0.16 -0.28 0.00 0.13 0.00 0.00 31.00 32.19 1zhb h PRO 47 CO 0.90 -0.40 -0.17 0.21 -0.23 0.00 0.00 178.00 178.31 1zhb s LYS 48 N -5.33 3.02 -0.14 0.86 2.47 -1.26 -5.02 119.74 114.35 1zhb s LYS 48 Ca -0.16 -2.13 -0.00 0.00 -1.56 0.00 0.00 55.97 52.12 1zhb s LYS 48 Cb 0.03 -4.16 -0.01 0.00 -1.46 0.00 0.00 37.83 32.22 1zhb s LYS 48 CO 0.56 -1.26 -0.13 0.08 0.16 0.00 0.00 175.35 174.76 1zhb s VAL 49 N 0.75 2.97 0.08 4.02 1.01 -1.26 -4.70 120.40 123.26 1zhb s VAL 49 Ca 0.11 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1zhb s VAL 49 Cb -0.20 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 1zhb s VAL 49 CO -0.03 0.52 0.76 -1.61 0.00 0.00 0.00 175.10 174.73 1zhb s GLU 50 N 0.48 4.50 -0.12 2.72 0.41 0.44 -4.92 118.70 122.21 1zhb s GLU 50 Ca -0.10 1.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.55 1zhb s GLU 50 Cb -0.16 -3.33 0.02 0.00 -1.78 0.00 0.00 34.13 28.88 1zhb s GLU 50 CO 0.04 0.39 -0.14 1.41 -0.49 0.00 0.00 175.26 176.47 1zhb s MET 51 N -0.44 2.18 0.60 1.61 1.75 -1.26 -0.74 119.30 123.00 1zhb s MET 51 Ca 0.37 -0.54 -0.15 0.00 -1.25 0.00 0.00 55.69 54.13 1zhb s MET 51 Cb -0.21 -1.92 -0.03 0.00 2.84 0.00 0.00 34.83 35.51 1zhb s MET 51 CO 0.24 -0.12 1.05 -1.54 -0.65 0.00 0.00 175.02 173.99 1zhb s SER 52 N 1.17 5.84 0.68 1.11 1.04 -0.29 -5.01 113.70 118.23 1zhb s SER 52 Ca -0.03 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.00 1zhb s SER 52 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1zhb s SER 52 CO -0.04 -1.13 1.06 -1.81 0.98 0.00 0.00 173.24 172.30 1zhb s ASP 53 N -3.10 5.37 0.25 7.02 1.01 -1.26 -4.70 116.67 121.27 1zhb s ASP 53 Ca 0.61 1.71 -0.31 0.00 0.71 0.00 0.00 52.55 55.27 1zhb s ASP 53 Cb -0.14 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.14 1zhb s ASP 53 CO 0.41 -1.45 1.36 0.80 0.21 0.00 0.00 175.17 176.50 1zhb n MET 54 N -2.85 1.96 -3.88 8.23 0.00 -1.26 -4.90 117.12 114.41 1zhb n MET 54 Ca 0.08 0.70 -0.09 0.00 -0.00 0.00 0.00 57.70 58.39 1zhb n MET 54 Cb 0.53 -2.32 -0.08 0.00 0.00 0.00 0.00 33.22 31.35 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 0.17 0.14 0.04 6.12 0.01 -1.24 -5.05 113.70 113.90 1zhb s SER 55 Ca 0.67 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1zhb s SER 55 Cb -0.66 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 1zhb s SER 55 CO 0.52 -0.67 -0.08 0.72 0.41 0.00 0.00 173.24 174.13 1zhb s PHE 56 N -3.55 0.70 0.81 2.43 -0.71 -1.26 -1.59 117.98 114.80 1zhb s PHE 56 Ca 0.03 -0.48 -0.10 0.00 -1.04 0.00 0.00 56.93 55.34 1zhb s PHE 56 Cb 0.04 -0.42 0.12 0.00 -1.21 0.00 0.00 43.02 41.55 1zhb s PHE 56 CO -0.09 -0.07 1.15 -1.12 -1.34 0.00 0.00 175.22 173.74 1zhb s SER 57 N -1.51 4.15 0.00 1.98 0.01 0.54 -4.91 113.70 113.96 1zhb s SER 57 Ca -0.09 0.36 0.14 0.00 1.31 0.00 0.00 55.95 57.67 1zhb s SER 57 Cb -0.10 -0.74 0.67 0.00 0.21 0.00 0.00 66.02 66.06 1zhb s SER 57 CO 0.00 -2.06 1.41 2.29 0.41 0.00 0.00 173.24 175.29 1zhb n LYS 58 N -3.26 0.12 -0.40 12.44 2.85 -1.26 -0.82 118.16 127.82 1zhb n LYS 58 Ca 0.11 0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.64 1zhb n LYS 58 Cb 0.60 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.37 3.45 0.00 -5.58 5.68 -1.26 -4.94 116.55 112.52 1zhb n ASP 59 Ca 0.05 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1zhb n ASP 59 Cb 0.13 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 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 0.92 0.00 -2.79 2.11 7.02 -0.00 -5.01 117.44 119.68 1zhb n TRP 60 Ca 0.19 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.33 1zhb n TRP 60 Cb 0.62 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.44 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 -3.82 7.06 0.39 -0.99 1.04 -1.26 -4.73 113.70 111.38 1zhb s SER 61 Ca 0.00 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.16 1zhb s SER 61 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1zhb s SER 61 CO 0.00 -0.27 0.64 -0.36 0.98 0.00 0.00 173.24 174.23 1zhb s PHE 62 N -1.96 3.52 -0.02 5.02 0.08 -0.57 -0.34 117.98 123.71 1zhb s PHE 62 Ca 0.58 0.59 -0.16 0.00 0.12 0.00 0.00 56.93 58.06 1zhb s PHE 62 Cb -0.13 -2.10 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1zhb s PHE 62 CO 0.17 -0.02 0.33 1.52 -0.10 0.00 0.00 175.22 177.13 1zhb s TYR 63 N -2.42 -0.22 -0.00 0.36 1.13 -0.62 -1.69 117.35 113.89 1zhb s TYR 63 Ca 0.44 0.34 0.01 0.00 -1.41 0.00 0.00 57.07 56.45 1zhb s TYR 63 Cb -0.10 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1zhb s TYR 63 CO 0.38 -0.39 -0.03 0.42 -2.51 0.00 0.00 175.55 173.42 1zhb s ILE 64 N -1.25 0.22 -0.20 -3.49 -1.09 0.25 -3.59 121.20 112.06 1zhb s ILE 64 Ca -0.13 -0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1zhb s ILE 64 Cb -0.05 -0.20 -0.02 0.00 -1.58 0.00 0.00 42.46 40.61 1zhb s ILE 64 CO 0.04 0.07 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.60 1zhb s LEU 65 N 0.03 3.18 -0.03 2.97 2.96 -1.26 -0.76 118.68 125.77 1zhb s LEU 65 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1zhb s LEU 65 Cb -0.02 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1zhb s LEU 65 CO -0.00 0.05 -0.12 0.00 -1.32 0.00 0.00 176.35 174.96 1zhb s ALA 66 N 1.08 2.79 0.09 5.97 0.00 0.18 -1.14 121.76 130.74 1zhb s ALA 66 Ca 0.02 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 1zhb s ALA 66 Cb -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.00 1zhb s ALA 66 CO 0.01 0.58 0.43 -3.38 0.00 0.00 0.00 175.76 173.39 1zhb s HIS 67 N -0.84 -0.26 0.07 0.00 -0.00 0.08 0.12 115.29 114.45 1zhb s HIS 67 Ca 0.13 0.08 -0.17 0.00 -0.00 0.00 0.00 55.06 55.11 1zhb s HIS 67 Cb -0.11 0.27 0.03 0.00 -0.00 0.00 0.00 32.58 32.77 1zhb s HIS 67 CO 0.03 -0.66 0.39 -0.08 -0.00 0.00 0.00 174.74 174.42 1zhb s THR 68 N -3.22 0.07 0.39 -5.38 -1.32 -0.55 -0.42 115.64 105.21 1zhb s THR 68 Ca -0.01 -0.54 -0.26 0.00 -1.21 0.00 0.00 61.69 59.67 1zhb s THR 68 Cb 0.01 -1.03 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 1zhb s THR 68 CO -0.08 -0.30 1.16 -1.61 -2.21 0.00 0.00 174.62 171.58 1zhb s GLU 69 N -2.91 4.13 0.09 7.08 2.02 -1.26 -1.04 118.70 126.80 1zhb s GLU 69 Ca -0.03 1.83 -0.25 0.00 0.02 0.00 0.00 54.97 56.54 1zhb s GLU 69 Cb 0.00 -2.73 0.08 0.00 0.10 0.00 0.00 34.13 31.58 1zhb s GLU 69 CO -0.06 -0.25 0.71 -0.59 0.02 0.00 0.00 175.26 175.09 1zhb s PHE 70 N -1.40 -0.48 -0.30 1.61 -0.71 -0.75 -4.83 117.98 111.14 1zhb s PHE 70 Ca 0.56 0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.78 1zhb s PHE 70 Cb -0.31 0.54 0.09 0.00 -1.21 0.00 0.00 43.02 42.14 1zhb s PHE 70 CO 0.39 -0.73 0.06 0.99 -1.34 0.00 0.00 175.22 174.58 1zhb s THR 71 N -3.38 1.30 0.49 -4.49 2.01 -1.26 0.06 115.64 110.37 1zhb s THR 71 Ca 0.02 -1.54 -0.23 0.00 0.31 0.00 0.00 61.69 60.25 1zhb s THR 71 Cb -0.01 -1.89 -0.07 0.00 0.01 0.00 0.00 72.50 70.54 1zhb s THR 71 CO -0.10 -0.53 1.30 -2.16 -0.69 0.00 0.00 174.62 172.44 1zhb s PRO 72 N 1.42 3.51 0.43 4.92 0.04 -1.26 -4.75 135.00 139.31 1zhb s PRO 72 Ca 0.07 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.28 1zhb s PRO 72 Cb -0.18 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 1zhb s PRO 72 CO -0.17 -0.86 0.03 0.95 0.04 0.00 0.00 177.00 177.00 1zhb s THR 73 N -1.35 1.88 0.35 1.26 -4.23 -1.26 -0.19 115.64 112.09 1zhb s THR 73 Ca 0.66 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.34 1zhb s THR 73 Cb -0.37 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 70.71 1zhb s THR 73 CO 0.45 0.00 1.81 1.05 -0.54 0.00 0.00 174.62 177.39 1zhb h GLU 74 N 1.66 0.00 0.00 3.99 9.09 -1.97 -3.35 114.58 124.00 1zhb h GLU 74 Ca -0.44 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.63 1zhb h GLU 74 Cb 1.25 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.29 1zhb h GLU 74 CO 0.79 0.39 -2.34 -2.37 0.05 0.00 0.00 179.01 175.53 1zhb n THR 75 N -4.00 1.29 -2.60 -1.06 5.66 -1.26 -4.91 114.28 107.40 1zhb n THR 75 Ca -0.02 -0.82 -0.42 0.00 -3.05 0.00 0.00 64.05 59.74 1zhb n THR 75 Cb 0.43 -0.45 -0.03 0.00 -1.55 0.00 0.00 70.33 68.74 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 -5.38 7.19 -0.06 1.09 1.01 -1.26 -5.03 116.67 114.24 1zhb s ASP 76 Ca -0.10 1.68 -0.11 0.00 0.71 0.00 0.00 52.55 54.73 1zhb s ASP 76 Cb 0.06 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1zhb s ASP 76 CO 0.81 -0.46 0.28 0.42 0.21 0.00 0.00 175.17 176.43 1zhb s THR 77 N 1.85 5.26 -0.01 -1.27 -4.23 -1.26 -4.68 115.64 111.31 1zhb s THR 77 Ca 0.52 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.63 1zhb s THR 77 Cb -0.22 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1zhb s THR 77 CO 0.22 0.60 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.37 1zhb s TYR 78 N -1.03 1.93 0.05 3.99 1.51 -1.26 -0.75 117.35 121.78 1zhb s TYR 78 Ca 0.19 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.79 1zhb s TYR 78 Cb -0.14 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1zhb s TYR 78 CO 0.09 -0.01 0.20 0.00 -1.11 0.00 0.00 175.55 174.71 1zhb s ALA 79 N -0.55 -0.37 -0.05 3.71 0.00 -0.58 -0.62 121.76 123.31 1zhb s ALA 79 Ca 0.08 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.80 1zhb s ALA 79 Cb -0.08 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1zhb s ALA 79 CO -0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 175.76 175.16 1zhb s ARG 81 N -0.45 1.25 -0.08 0.00 3.52 0.79 -0.31 118.95 123.68 1zhb s ARG 81 Ca 0.05 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 1zhb s ARG 81 Cb -0.12 -1.70 -0.02 0.00 -1.56 0.00 0.00 34.95 31.55 1zhb s ARG 81 CO 0.01 -0.38 -0.18 0.08 -0.81 0.00 0.00 175.30 174.03 1zhb s VAL 82 N 1.74 2.66 -0.07 7.11 1.01 0.17 -0.47 120.40 132.54 1zhb s VAL 82 Ca 0.03 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1zhb s VAL 82 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1zhb s VAL 82 CO -0.07 0.56 -0.22 -0.75 0.00 0.00 0.00 175.10 174.62 1zhb s LYS 83 N -0.12 2.65 0.00 2.72 2.20 0.74 -0.72 119.74 127.21 1zhb s LYS 83 Ca -0.03 -0.85 -0.27 0.00 -0.36 0.00 0.00 55.97 54.46 1zhb s LYS 83 Cb -0.14 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 33.99 1zhb s LYS 83 CO 0.04 0.39 0.61 -1.58 -0.36 0.00 0.00 175.35 174.46 1zhb s HIS 84 N -0.18 -0.57 0.49 4.03 2.46 -1.26 -1.61 115.29 118.66 1zhb s HIS 84 Ca -0.03 0.83 0.22 0.00 0.47 0.00 0.00 55.06 56.55 1zhb s HIS 84 Cb -0.14 0.40 1.39 0.00 -0.13 0.00 0.00 32.58 34.11 1zhb s HIS 84 CO 0.04 -0.64 2.11 -0.44 -2.47 0.00 0.00 174.74 173.34 1zhb h ASP 85 N 2.86 0.00 0.74 9.88 3.32 -1.93 -1.92 116.42 129.37 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 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1zhb h ASP 85 CO 0.39 0.08 0.00 0.77 -1.72 0.00 0.00 179.24 178.77 1zhb h SER 86 N 0.00 0.00 -3.17 6.45 4.64 -1.88 -3.42 113.55 116.17 1zhb h SER 86 Ca -0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1zhb h SER 86 Cb 0.18 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.94 1zhb h SER 86 CO 0.01 0.00 -0.84 -0.04 -0.87 0.00 0.00 176.83 175.09 1zhb s MET 87 N -3.60 3.07 0.25 4.77 -1.94 -0.72 -4.97 119.30 116.15 1zhb s MET 87 Ca 0.01 -0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 1zhb s MET 87 Cb 0.09 -2.57 0.50 0.00 2.01 0.00 0.00 34.83 34.85 1zhb s MET 87 CO 0.46 -0.11 1.70 0.00 -0.01 0.00 0.00 175.02 177.05 1zhb h ALA 88 N 7.67 1.04 -2.86 3.03 0.00 -1.83 -3.42 119.26 122.89 1zhb h ALA 88 Ca -0.39 0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 1zhb h ALA 88 Cb 1.16 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.96 1zhb h ALA 88 CO 0.60 -0.30 -0.79 -1.21 0.00 0.00 0.00 179.25 177.55 1zhb s GLU 89 N -6.02 1.42 0.73 0.00 0.41 -1.26 -5.07 118.70 108.91 1zhb s GLU 89 Ca -0.12 -1.51 -0.15 0.00 -0.41 0.00 0.00 54.97 52.77 1zhb s GLU 89 Cb 0.22 -1.56 0.04 0.00 -1.78 0.00 0.00 34.13 31.04 1zhb s GLU 89 CO 0.76 0.32 1.20 -2.14 -0.49 0.00 0.00 175.26 174.91 1zhb s PRO 90 N -2.91 2.19 -0.14 0.39 0.02 -1.26 -4.89 135.00 128.39 1zhb s PRO 90 Ca 0.20 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1zhb s PRO 90 Cb -0.06 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1zhb s PRO 90 CO 0.09 -1.79 -0.08 0.21 -0.33 0.00 0.00 177.00 175.11 1zhb s LYS 91 N -3.93 3.53 -0.09 5.54 2.20 0.10 -4.92 119.74 122.17 1zhb s LYS 91 Ca 0.74 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 1zhb s LYS 91 Cb -0.28 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1zhb s LYS 91 CO 0.45 0.25 0.02 0.99 -0.36 0.00 0.00 175.35 176.70 1zhb s THR 92 N 0.32 4.48 -0.02 3.43 2.01 -1.26 0.44 115.64 125.04 1zhb s THR 92 Ca -0.06 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1zhb s THR 92 Cb -0.15 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1zhb s THR 92 CO 0.04 0.60 -0.01 0.54 -0.69 0.00 0.00 174.62 175.10 1zhb s VAL 93 N -0.92 0.17 0.18 3.82 0.11 0.58 -4.97 120.40 119.37 1zhb s VAL 93 Ca 0.14 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.05 1zhb s VAL 93 Cb -0.11 -0.22 -0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1zhb s VAL 93 CO 0.03 0.10 0.58 -0.31 -3.33 0.00 0.00 175.10 172.17 1zhb s TYR 94 N 0.54 3.57 0.23 1.54 2.02 -1.26 -1.25 117.35 122.74 1zhb s TYR 94 Ca -0.05 1.07 -0.30 0.00 -0.37 0.00 0.00 57.07 57.42 1zhb s TYR 94 Cb -0.08 -2.39 -0.09 0.00 -0.40 0.00 0.00 41.96 39.00 1zhb s TYR 94 CO -0.01 0.38 1.28 -0.46 -1.57 0.00 0.00 175.55 175.17 1zhb s TRP 95 N -1.55 3.26 -0.20 2.71 -0.00 0.21 -4.85 118.94 118.51 1zhb s TRP 95 Ca 0.41 1.31 0.00 0.00 -0.00 0.00 0.00 56.10 57.82 1zhb s TRP 95 Cb -0.14 -3.58 0.05 0.00 -0.00 0.00 0.00 33.47 29.79 1zhb s TRP 95 CO 0.20 -1.72 -0.08 0.34 -0.00 0.00 0.00 176.95 175.68 1zhb s ASP 96 N 0.07 3.34 0.39 5.86 -1.08 -1.26 -4.83 116.67 119.16 1zhb s ASP 96 Ca 0.54 -0.88 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 1zhb s ASP 96 Cb -0.36 -1.14 0.80 0.00 -1.46 0.00 0.00 42.92 40.75 1zhb s ASP 96 CO 0.41 -0.17 1.96 0.08 0.52 0.00 0.00 175.17 177.97 1zhb h ARG 97 N 8.01 0.38 0.00 4.34 0.11 -1.95 -0.34 114.38 124.93 1zhb h ARG 97 Ca -0.25 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1zhb h ARG 97 Cb 1.10 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.11 1zhb h ARG 97 CO 0.45 0.39 0.00 -0.25 0.10 0.00 0.00 179.97 180.65 1zhb n ASP 98 N -4.35 0.00 0.00 0.08 9.92 -1.26 -4.87 116.55 116.07 1zhb n ASP 98 Ca 0.01 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1zhb n ASP 98 Cb 0.19 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1zhb n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56