#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 0.75 -0.09 9.51 -2.07 -1.26 -4.75 119.66 121.75 1zhb s GLN 2 Ca 0.00 -0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 52.99 1zhb s GLN 2 Cb 0.00 -0.71 -0.03 0.00 -1.09 0.00 0.00 33.01 31.18 1zhb s GLN 2 CO 0.00 0.18 -0.03 0.15 -1.32 0.00 0.00 175.29 174.27 1zhb s LYS 3 N -0.76 3.01 -0.18 9.60 1.02 -0.44 -4.95 119.74 127.06 1zhb s LYS 3 Ca 0.01 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 55.38 1zhb s LYS 3 Cb -0.06 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 1zhb s LYS 3 CO 0.00 0.61 0.28 -0.08 -0.92 0.00 0.00 175.35 175.25 1zhb s THR 4 N -0.64 5.30 0.34 2.17 -1.32 -1.26 -2.23 115.64 118.00 1zhb s THR 4 Ca 0.10 0.51 -0.28 0.00 -1.21 0.00 0.00 61.69 60.81 1zhb s THR 4 Cb -0.12 -3.62 -0.10 0.00 -1.51 0.00 0.00 72.50 67.15 1zhb s THR 4 CO 0.02 0.37 1.28 -2.16 -2.21 0.00 0.00 174.62 171.92 1zhb s PRO 5 N 0.64 4.30 -0.13 7.08 0.04 -1.26 -4.69 135.00 140.97 1zhb s PRO 5 Ca 0.15 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 1zhb s PRO 5 Cb -0.13 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1zhb s PRO 5 CO 0.04 -0.22 0.16 -0.65 0.04 0.00 0.00 177.00 176.37 1zhb s GLN 6 N -1.87 3.63 -0.01 4.56 -1.52 -0.53 -4.94 119.66 118.99 1zhb s GLN 6 Ca 0.50 -0.11 0.05 0.00 -1.95 0.00 0.00 55.36 53.85 1zhb s GLN 6 Cb -0.38 -3.24 -0.01 0.00 -0.22 0.00 0.00 33.01 29.15 1zhb s GLN 6 CO 0.51 0.67 -0.15 0.42 -0.25 0.00 0.00 175.29 176.49 1zhb s ILE 7 N -0.72 1.16 -0.01 1.08 1.01 -1.26 -0.63 121.20 121.84 1zhb s ILE 7 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1zhb s ILE 7 Cb -0.12 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1zhb s ILE 7 CO 0.03 0.29 -0.00 -1.10 0.00 0.00 0.00 174.94 174.16 1zhb s GLN 8 N -0.44 0.13 -0.10 2.79 -0.21 -0.86 -5.00 119.66 115.97 1zhb s GLN 8 Ca 0.05 0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.48 1zhb s GLN 8 Cb -0.06 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.74 1zhb s GLN 8 CO -0.00 -0.04 -0.22 0.08 -2.12 0.00 0.00 175.29 173.00 1zhb s VAL 9 N 0.37 1.90 -0.05 1.09 1.01 -1.26 -0.79 120.40 122.67 1zhb s VAL 9 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1zhb s VAL 9 Cb -0.05 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.78 1zhb s VAL 9 CO -0.01 0.52 0.93 -0.72 0.00 0.00 0.00 175.10 175.83 1zhb s TYR 10 N 0.49 -0.33 0.39 5.22 1.13 -0.86 -4.51 117.35 118.88 1zhb s TYR 10 Ca -0.16 0.27 0.01 0.00 -1.41 0.00 0.00 57.07 55.78 1zhb s TYR 10 Cb -0.17 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 1zhb s TYR 10 CO 0.06 -0.48 0.60 -1.54 -2.51 0.00 0.00 175.55 171.68 1zhb s SER 11 N -2.22 6.10 -0.01 -0.18 1.04 -1.26 0.03 113.70 117.19 1zhb s SER 11 Ca 0.04 0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.61 1zhb s SER 11 Cb -0.01 -1.80 -0.19 0.00 0.10 0.00 0.00 66.02 64.11 1zhb s SER 11 CO -0.07 -0.46 1.19 -0.09 0.98 0.00 0.00 173.24 174.78 1zhb h ARG 12 N 0.61 0.25 -6.13 4.02 2.43 -1.28 -3.46 114.38 110.81 1zhb h ARG 12 Ca -0.48 -0.18 -0.51 0.00 -0.81 0.00 0.00 59.98 57.99 1zhb h ARG 12 Cb 1.23 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1zhb h ARG 12 CO 0.59 0.82 -0.45 -1.01 -1.51 0.00 0.00 179.97 178.40 1zhb s HIS 13 N -3.73 2.77 0.23 2.20 3.76 -1.26 -5.05 115.29 114.21 1zhb s HIS 13 Ca -0.15 -0.41 -0.32 0.00 -0.15 0.00 0.00 55.06 54.04 1zhb s HIS 13 Cb 0.03 -1.88 -0.13 0.00 1.11 0.00 0.00 32.58 31.71 1zhb s HIS 13 CO 0.74 0.13 1.54 -2.30 -0.85 0.00 0.00 174.74 174.01 1zhb n PRO 14 N -1.35 2.33 -2.75 8.40 -0.02 -1.26 -4.91 135.00 135.43 1zhb n PRO 14 Ca -0.00 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.96 1zhb n PRO 14 Cb 0.61 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.11 4.30 -0.26 0.52 0.04 -1.26 -5.04 135.00 133.42 1zhb s PRO 15 Ca 0.71 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1zhb s PRO 15 Cb -0.60 -2.42 0.15 0.00 0.04 0.00 0.00 34.50 31.67 1zhb s PRO 15 CO 0.44 0.03 0.45 -2.00 0.04 0.00 0.00 177.00 175.96 1zhb s GLU 16 N -2.73 0.42 0.19 4.56 2.12 -1.26 -5.13 118.70 116.87 1zhb s GLU 16 Ca 0.58 0.72 -0.33 0.00 0.36 0.00 0.00 54.97 56.30 1zhb s GLU 16 Cb -0.14 -0.10 -0.15 0.00 0.26 0.00 0.00 34.13 34.00 1zhb s GLU 16 CO 0.19 -0.61 1.32 0.09 -0.54 0.00 0.00 175.26 175.70 1zhb n ASN 17 N 5.39 2.09 0.00 -1.70 3.02 -1.26 -1.56 115.26 121.25 1zhb n ASN 17 Ca -0.03 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1zhb n ASN 17 Cb 0.50 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 2.26 3.00 3.70 7.41 0.00 0.78 -4.98 105.19 117.35 1zhb n GLY 18 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 4.18 0.55 1.61 2.20 -0.60 -4.95 119.74 122.33 1zhb s LYS 19 Ca 0.00 -0.01 -0.21 0.00 -0.36 0.00 0.00 55.97 55.40 1zhb s LYS 19 Cb 0.00 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1zhb s LYS 19 CO 0.00 0.13 1.07 -2.30 -0.36 0.00 0.00 175.35 173.89 1zhb n PRO 20 N 3.98 1.21 -1.28 4.03 -0.02 -1.26 -4.30 135.00 137.35 1zhb n PRO 20 Ca -0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1zhb n PRO 20 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.52 0.00 -4.11 2.55 2.85 0.34 -4.98 115.26 111.38 1zhb n ASN 21 Ca 0.12 -0.91 -0.22 0.00 -0.11 0.00 0.00 54.58 53.46 1zhb n ASN 21 Cb 0.45 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.32 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 -2.56 1.10 -0.19 -1.44 1.01 -1.26 -2.25 121.20 115.61 1zhb s ILE 22 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1zhb s ILE 22 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1zhb s ILE 22 CO 0.00 0.24 -0.02 -0.22 0.00 0.00 0.00 174.94 174.94 1zhb s LEU 23 N -0.52 3.18 -0.13 2.97 2.96 -0.34 -0.67 118.68 126.13 1zhb s LEU 23 Ca 0.04 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1zhb s LEU 23 Cb -0.06 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1zhb s LEU 23 CO -0.00 0.08 0.09 0.20 -1.32 0.00 0.00 176.35 175.40 1zhb s ASN 24 N 0.91 5.94 -0.28 3.68 0.01 0.10 -1.78 114.94 123.53 1zhb s ASN 24 Ca 0.00 0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.45 1zhb s ASN 24 Cb -0.14 -1.91 0.06 0.00 0.41 0.00 0.00 41.25 39.66 1zhb s ASN 24 CO 0.02 0.33 -0.06 0.00 -1.51 0.00 0.00 177.10 175.87 1zhb s TYR 26 N 1.16 3.34 -0.25 0.00 5.04 0.03 -1.02 117.35 125.66 1zhb s TYR 26 Ca -0.07 -1.51 -0.09 0.00 -2.44 0.00 0.00 57.07 52.96 1zhb s TYR 26 Cb -0.20 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 1zhb s TYR 26 CO -0.03 -0.88 0.12 0.08 -1.34 0.00 0.00 175.55 173.50 1zhb s VAL 27 N 1.45 4.90 0.35 3.14 1.01 -0.28 -2.04 120.40 128.93 1zhb s VAL 27 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1zhb s VAL 27 Cb -0.24 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1zhb s VAL 27 CO 0.02 0.33 0.10 0.42 0.00 0.00 0.00 175.10 175.97 1zhb s THR 28 N 1.35 0.78 -1.49 3.92 -4.23 0.20 -0.85 115.64 115.33 1zhb s THR 28 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1zhb s THR 28 Cb -0.15 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1zhb s THR 28 CO 0.06 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.14 1zhb n GLN 29 N -0.74 -1.34 -4.17 3.99 3.00 -0.88 -1.45 117.38 115.79 1zhb n GLN 29 Ca -0.03 0.85 -0.23 0.00 -0.01 0.00 0.00 57.00 57.58 1zhb n GLN 29 Cb 0.66 -5.27 -0.07 0.00 0.00 0.00 0.00 30.24 25.56 1zhb n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1zhb s PHE 30 N -2.83 2.70 -0.28 1.08 -0.71 -1.06 -4.07 117.98 112.81 1zhb s PHE 30 Ca 0.00 -0.34 -0.19 0.00 -1.04 0.00 0.00 56.93 55.36 1zhb s PHE 30 Cb 0.00 -1.51 0.12 0.00 -1.21 0.00 0.00 43.02 40.43 1zhb s PHE 30 CO 0.00 0.43 0.93 -1.58 -1.34 0.00 0.00 175.22 173.66 1zhb s HIS 31 N -2.40 -0.64 0.82 3.49 2.46 -0.95 -1.34 115.29 116.73 1zhb s HIS 31 Ca 0.36 1.35 -0.12 0.00 0.47 0.00 0.00 55.06 57.12 1zhb s HIS 31 Cb -0.03 0.40 0.08 0.00 -0.13 0.00 0.00 32.58 32.90 1zhb s HIS 31 CO 0.22 -0.31 1.14 -1.25 -2.47 0.00 0.00 174.74 172.06 1zhb s PRO 32 N 1.04 1.91 0.03 2.88 0.04 -1.26 -1.32 135.00 138.31 1zhb s PRO 32 Ca -0.05 0.32 0.20 0.00 0.04 0.00 0.00 61.00 61.51 1zhb s PRO 32 Cb -0.04 -1.93 0.85 0.00 0.04 0.00 0.00 34.50 33.43 1zhb s PRO 32 CO -0.13 -1.67 1.65 -0.35 0.04 0.00 0.00 177.00 176.54 1zhb n PRO 33 N -3.41 0.03 -2.29 0.56 -0.04 -1.26 -4.70 135.00 123.88 1zhb n PRO 33 Ca 0.07 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1zhb n PRO 33 Cb 0.59 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.03 3.13 0.05 0.54 2.46 -1.26 -5.01 115.29 112.17 1zhb s HIS 34 Ca 0.09 1.02 -0.20 0.00 0.47 0.00 0.00 55.06 56.44 1zhb s HIS 34 Cb 0.13 -3.57 0.04 0.00 -0.13 0.00 0.00 32.58 29.05 1zhb s HIS 34 CO 0.37 -1.99 0.47 -1.50 -2.47 0.00 0.00 174.74 169.62 1zhb s ILE 35 N 1.75 0.04 -0.17 0.89 2.07 -1.26 -4.68 121.20 119.85 1zhb s ILE 35 Ca 0.62 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1zhb s ILE 35 Cb -0.31 -0.98 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1zhb s ILE 35 CO 0.27 -0.20 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.33 1zhb s GLU 36 N -2.60 2.58 -0.15 3.50 2.02 -0.63 -5.00 118.70 118.41 1zhb s GLU 36 Ca -0.04 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1zhb s GLU 36 Cb -0.01 -2.34 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 1zhb s GLU 36 CO -0.03 -0.24 -0.16 0.42 0.02 0.00 0.00 175.26 175.26 1zhb s ILE 37 N 1.39 2.62 0.09 -1.63 1.01 -1.26 0.01 121.20 123.43 1zhb s ILE 37 Ca 0.04 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 60.00 1zhb s ILE 37 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1zhb s ILE 37 CO -0.11 0.52 -0.25 -1.10 0.00 0.00 0.00 174.94 173.99 1zhb s GLN 38 N 0.76 1.63 -0.08 2.79 -0.21 -0.27 -4.99 119.66 119.28 1zhb s GLN 38 Ca -0.06 -1.22 0.04 0.00 0.02 0.00 0.00 55.36 54.13 1zhb s GLN 38 Cb -0.15 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 1zhb s GLN 38 CO 0.01 0.48 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.83 1zhb s MET 39 N -1.74 2.78 -0.03 2.91 -1.94 -1.26 -0.20 119.30 119.82 1zhb s MET 39 Ca 0.14 -0.78 0.07 0.00 -1.71 0.00 0.00 55.69 53.41 1zhb s MET 39 Cb -0.10 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 1zhb s MET 39 CO 0.05 0.41 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.72 1zhb s LEU 40 N -0.19 2.17 -0.17 -0.03 1.43 0.18 -0.13 118.68 121.95 1zhb s LEU 40 Ca -0.01 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1zhb s LEU 40 Cb -0.13 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1zhb s LEU 40 CO 0.03 0.32 -0.08 -0.75 0.23 0.00 0.00 176.35 176.10 1zhb s LYS 41 N -0.59 3.45 -1.55 1.70 2.20 0.10 -1.82 119.74 123.24 1zhb s LYS 41 Ca 0.09 -0.63 -0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1zhb s LYS 41 Cb -0.10 -2.82 0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1zhb s LYS 41 CO -0.00 0.09 0.20 0.09 -0.36 0.00 0.00 175.35 175.36 1zhb n ASN 42 N 3.94 -0.05 0.00 1.43 3.02 -0.29 -0.43 115.26 122.89 1zhb n ASN 42 Ca -0.18 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1zhb n ASN 42 Cb 0.52 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 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 -1.94 2.97 3.85 7.41 0.00 -1.26 -5.03 105.19 111.19 1zhb n GLY 43 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 3.90 0.18 1.61 2.20 0.43 -4.96 119.74 122.89 1zhb s LYS 44 Ca 0.00 0.38 -0.32 0.00 -0.36 0.00 0.00 55.97 55.67 1zhb s LYS 44 Cb 0.00 -2.98 -0.11 0.00 -1.51 0.00 0.00 37.83 33.22 1zhb s LYS 44 CO 0.00 0.53 1.76 0.21 -0.36 0.00 0.00 175.35 177.49 1zhb s LYS 45 N -1.86 4.13 -0.06 4.03 2.20 -1.26 -0.72 119.74 126.20 1zhb s LYS 45 Ca 0.35 2.60 -0.30 0.00 -0.36 0.00 0.00 55.97 58.26 1zhb s LYS 45 Cb -0.15 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1zhb s LYS 45 CO 0.18 -0.78 1.06 0.42 -0.36 0.00 0.00 175.35 175.87 1zhb s ILE 46 N 1.74 4.61 0.08 5.43 1.01 0.81 -4.83 121.20 130.06 1zhb s ILE 46 Ca 0.77 1.89 -0.16 0.00 0.00 0.00 0.00 60.65 63.14 1zhb s ILE 46 Cb -0.48 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 37.68 1zhb s ILE 46 CO 0.34 0.04 1.41 1.55 0.00 0.00 0.00 174.94 178.28 1zhb h PRO 47 N 7.11 0.60 -3.33 2.79 0.13 -1.93 -3.38 132.00 133.98 1zhb h PRO 47 Ca -0.34 -0.30 -0.70 0.00 -0.87 0.00 0.00 66.00 63.79 1zhb h PRO 47 Cb 1.17 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.94 1zhb h PRO 47 CO 0.84 0.89 -0.18 0.21 -0.23 0.00 0.00 178.00 179.53 1zhb s LYS 48 N -4.41 3.09 -0.15 0.86 2.47 -1.26 -5.05 119.74 115.28 1zhb s LYS 48 Ca -0.13 -3.17 -0.05 0.00 -1.56 0.00 0.00 55.97 51.06 1zhb s LYS 48 Cb 0.08 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 1zhb s LYS 48 CO 0.80 -1.25 0.02 0.08 0.16 0.00 0.00 175.35 175.16 1zhb s VAL 49 N -1.15 4.44 0.18 4.02 1.01 -1.26 -4.77 120.40 122.86 1zhb s VAL 49 Ca 0.25 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1zhb s VAL 49 Cb -0.09 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1zhb s VAL 49 CO -0.11 0.51 0.60 -1.61 0.00 0.00 0.00 175.10 174.48 1zhb s GLU 50 N 0.04 4.02 -0.14 2.72 0.41 -0.06 -4.94 118.70 120.76 1zhb s GLU 50 Ca 0.03 0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 55.14 1zhb s GLU 50 Cb -0.13 -2.87 0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1zhb s GLU 50 CO 0.02 0.43 0.01 1.41 -0.49 0.00 0.00 175.26 176.63 1zhb s MET 51 N -2.09 0.72 1.02 1.61 1.75 -1.26 -1.55 119.30 119.49 1zhb s MET 51 Ca 0.41 -0.19 -0.12 0.00 -1.25 0.00 0.00 55.69 54.54 1zhb s MET 51 Cb -0.15 -1.60 0.20 0.00 2.84 0.00 0.00 34.83 36.13 1zhb s MET 51 CO 0.20 -0.47 1.08 -1.54 -0.65 0.00 0.00 175.02 173.64 1zhb s SER 52 N 1.89 2.28 0.37 1.11 1.04 -0.40 -4.97 113.70 115.01 1zhb s SER 52 Ca 0.02 1.62 -0.19 0.00 0.48 0.00 0.00 55.95 57.89 1zhb s SER 52 Cb -0.15 -2.28 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 1zhb s SER 52 CO -0.07 -3.41 0.85 -1.81 0.98 0.00 0.00 173.24 169.78 1zhb s ASP 53 N -2.91 6.90 -0.38 7.02 1.01 -1.26 -4.74 116.67 122.31 1zhb s ASP 53 Ca 0.66 1.51 -0.42 0.00 0.71 0.00 0.00 52.55 55.01 1zhb s ASP 53 Cb -0.22 -2.47 -0.17 0.00 1.01 0.00 0.00 42.92 41.08 1zhb s ASP 53 CO 0.60 -0.26 1.79 0.80 0.21 0.00 0.00 175.17 178.31 1zhb n MET 54 N -0.39 0.64 -4.22 8.23 0.00 -1.26 -4.89 117.12 115.23 1zhb n MET 54 Ca 0.05 0.23 -0.14 0.00 -0.00 0.00 0.00 57.70 57.83 1zhb n MET 54 Cb 0.53 -1.87 -0.10 0.00 0.00 0.00 0.00 33.22 31.78 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 4.01 1.63 0.06 6.12 0.01 -1.21 -5.05 113.70 119.28 1zhb s SER 55 Ca 1.04 -0.94 0.06 0.00 1.31 0.00 0.00 55.95 57.42 1zhb s SER 55 Cb -1.24 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 1zhb s SER 55 CO 0.70 -0.31 -0.15 0.72 0.41 0.00 0.00 173.24 174.60 1zhb s PHE 56 N -3.03 1.32 0.74 2.43 -0.12 -1.26 -1.75 117.98 116.32 1zhb s PHE 56 Ca 0.12 -0.42 -0.07 0.00 -0.05 0.00 0.00 56.93 56.51 1zhb s PHE 56 Cb 0.01 -0.76 0.09 0.00 -0.63 0.00 0.00 43.02 41.73 1zhb s PHE 56 CO -0.00 0.07 1.06 -1.12 -0.05 0.00 0.00 175.22 175.18 1zhb s SER 57 N -1.55 4.54 0.00 1.98 0.01 0.33 -4.92 113.70 114.10 1zhb s SER 57 Ca 0.01 0.36 0.16 0.00 1.31 0.00 0.00 55.95 57.79 1zhb s SER 57 Cb -0.09 -0.90 0.77 0.00 0.21 0.00 0.00 66.02 66.01 1zhb s SER 57 CO 0.02 -1.78 1.48 2.29 0.41 0.00 0.00 173.24 175.67 1zhb n LYS 58 N -3.03 0.15 -0.19 12.44 2.85 -1.26 -0.43 118.16 128.69 1zhb n LYS 58 Ca 0.10 0.16 0.08 0.00 -1.05 0.00 0.00 58.31 57.60 1zhb n LYS 58 Cb 0.60 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.72 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 -1.36 2.30 0.00 -5.58 5.68 -1.26 -4.92 116.55 111.41 1zhb n ASP 59 Ca 0.06 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1zhb n ASP 59 Cb 0.15 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.75 0.00 -2.68 2.11 5.03 0.43 -5.03 117.44 118.05 1zhb n TRP 60 Ca 0.15 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.40 1zhb n TRP 60 Cb 0.38 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.65 1zhb n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1zhb s SER 61 N -3.60 6.38 0.09 -0.99 1.04 -1.25 -4.65 113.70 110.72 1zhb s SER 61 Ca 0.00 1.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.48 1zhb s SER 61 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1zhb s SER 61 CO 0.00 -0.52 0.25 -0.36 0.98 0.00 0.00 173.24 173.59 1zhb s PHE 62 N -2.61 3.51 0.04 5.02 0.08 -0.45 0.12 117.98 123.70 1zhb s PHE 62 Ca 0.50 0.28 -0.04 0.00 0.12 0.00 0.00 56.93 57.78 1zhb s PHE 62 Cb -0.10 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1zhb s PHE 62 CO 0.39 0.55 0.07 1.52 -0.10 0.00 0.00 175.22 177.65 1zhb s TYR 63 N -1.58 0.27 -0.07 0.36 1.13 -0.72 -2.06 117.35 114.69 1zhb s TYR 63 Ca 0.36 -0.65 -0.12 0.00 -1.41 0.00 0.00 57.07 55.25 1zhb s TYR 63 Cb -0.13 -0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.56 1zhb s TYR 63 CO 0.28 -0.37 0.30 0.42 -2.51 0.00 0.00 175.55 173.66 1zhb s ILE 64 N -2.94 0.03 -0.16 -3.49 -1.09 -0.03 -3.29 121.20 110.21 1zhb s ILE 64 Ca -0.02 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1zhb s ILE 64 Cb 0.01 -0.50 0.01 0.00 -1.58 0.00 0.00 42.46 40.39 1zhb s ILE 64 CO -0.06 -0.13 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.13 1zhb s LEU 65 N -0.51 2.33 -0.08 2.97 2.96 -1.26 -1.13 118.68 123.95 1zhb s LEU 65 Ca -0.06 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1zhb s LEU 65 Cb -0.04 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1zhb s LEU 65 CO 0.02 0.05 -0.16 0.00 -1.32 0.00 0.00 176.35 174.94 1zhb s ALA 66 N 1.01 2.58 0.07 5.97 0.00 -0.19 -1.27 121.76 129.93 1zhb s ALA 66 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1zhb s ALA 66 Cb -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1zhb s ALA 66 CO -0.04 0.44 0.19 -3.38 0.00 0.00 0.00 175.76 172.96 1zhb s HIS 67 N -0.32 0.12 0.03 0.00 -3.43 -0.60 0.83 115.29 111.92 1zhb s HIS 67 Ca 0.02 -0.48 -0.14 0.00 -0.80 0.00 0.00 55.06 53.67 1zhb s HIS 67 Cb -0.13 -0.06 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1zhb s HIS 67 CO 0.02 -0.50 0.30 -0.08 -2.00 0.00 0.00 174.74 172.48 1zhb s THR 68 N -3.38 0.08 0.30 -5.38 -1.32 -0.73 -0.88 115.64 104.33 1zhb s THR 68 Ca 0.01 -0.64 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1zhb s THR 68 Cb 0.03 -0.84 -0.10 0.00 -1.51 0.00 0.00 72.50 70.08 1zhb s THR 68 CO -0.08 -0.35 1.24 -1.61 -2.21 0.00 0.00 174.62 171.61 1zhb s GLU 69 N -2.20 4.45 0.03 7.08 2.02 -1.26 -1.20 118.70 127.61 1zhb s GLU 69 Ca -0.07 2.08 -0.28 0.00 0.02 0.00 0.00 54.97 56.71 1zhb s GLU 69 Cb -0.02 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.16 1zhb s GLU 69 CO -0.01 -0.07 0.64 -0.59 0.02 0.00 0.00 175.26 175.25 1zhb s PHE 70 N -1.04 -0.60 -0.33 1.61 -0.71 -0.95 -4.86 117.98 111.10 1zhb s PHE 70 Ca 0.48 0.82 0.02 0.00 -1.04 0.00 0.00 56.93 57.22 1zhb s PHE 70 Cb -0.37 0.46 0.09 0.00 -1.21 0.00 0.00 43.02 41.98 1zhb s PHE 70 CO 0.48 -0.69 0.03 0.99 -1.34 0.00 0.00 175.22 174.69 1zhb s THR 71 N -2.12 2.45 0.57 -4.49 2.01 -1.26 -0.50 115.64 112.30 1zhb s THR 71 Ca -0.07 -2.08 -0.19 0.00 0.31 0.00 0.00 61.69 59.67 1zhb s THR 71 Cb -0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1zhb s THR 71 CO 0.02 -0.45 1.15 -2.16 -0.69 0.00 0.00 174.62 172.48 1zhb s PRO 72 N 1.01 3.20 0.44 4.92 0.04 -1.26 -4.76 135.00 138.59 1zhb s PRO 72 Ca 0.05 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1zhb s PRO 72 Cb -0.20 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1zhb s PRO 72 CO -0.06 -0.98 0.11 0.95 0.04 0.00 0.00 177.00 177.06 1zhb s THR 73 N -1.78 0.65 0.03 1.26 -4.23 -1.26 -0.15 115.64 110.15 1zhb s THR 73 Ca 0.73 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1zhb s THR 73 Cb -0.25 -2.26 0.15 0.00 1.34 0.00 0.00 72.50 71.47 1zhb s THR 73 CO 0.30 0.00 1.66 1.05 -0.54 0.00 0.00 174.62 177.09 1zhb h GLU 74 N 1.66 0.00 0.00 3.99 9.09 -1.97 -3.37 114.58 123.98 1zhb h GLU 74 Ca -0.36 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.98 1zhb h GLU 74 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1zhb h GLU 74 CO 0.59 0.36 -1.43 2.41 0.05 0.00 0.00 179.01 180.99 1zhb n THR 75 N -3.37 0.25 -2.95 -1.06 -1.04 -1.26 -4.96 114.28 99.88 1zhb n THR 75 Ca 0.01 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.37 1zhb n THR 75 Cb 0.56 -0.25 -0.04 0.00 -1.82 0.00 0.00 70.33 68.78 1zhb n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1zhb s ASP 76 N -3.41 7.03 -0.00 8.00 1.01 -1.26 -5.04 116.67 123.00 1zhb s ASP 76 Ca -0.03 1.25 -0.18 0.00 0.71 0.00 0.00 52.55 54.30 1zhb s ASP 76 Cb 0.04 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 1zhb s ASP 76 CO 0.31 -0.21 0.51 0.42 0.21 0.00 0.00 175.17 176.41 1zhb s THR 77 N 1.20 4.95 0.11 -1.27 -4.23 -1.26 -4.70 115.64 110.43 1zhb s THR 77 Ca 0.40 1.06 0.08 0.00 -1.18 0.00 0.00 61.69 62.05 1zhb s THR 77 Cb -0.18 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 1zhb s THR 77 CO 0.18 0.49 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.29 1zhb s TYR 78 N -0.58 2.62 0.17 3.99 2.02 -1.26 -1.14 117.35 123.17 1zhb s TYR 78 Ca 0.27 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.57 1zhb s TYR 78 Cb -0.18 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1zhb s TYR 78 CO 0.15 0.40 0.50 0.00 -1.57 0.00 0.00 175.55 175.04 1zhb s ALA 79 N -1.18 -1.05 -0.09 3.71 0.00 -0.76 -0.21 121.76 122.19 1zhb s ALA 79 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1zhb s ALA 79 Cb -0.11 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1zhb s ALA 79 CO 0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 175.76 175.00 1zhb s ARG 81 N 0.93 2.72 -0.10 0.00 3.52 0.72 -1.54 118.95 125.20 1zhb s ARG 81 Ca -0.09 -1.04 -0.03 0.00 -0.13 0.00 0.00 55.73 54.44 1zhb s ARG 81 Cb -0.15 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 1zhb s ARG 81 CO 0.00 -0.41 0.03 0.08 -0.81 0.00 0.00 175.30 174.19 1zhb s VAL 82 N 1.26 4.55 -0.10 7.11 1.01 0.12 -1.12 120.40 133.23 1zhb s VAL 82 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1zhb s VAL 82 Cb -0.17 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1zhb s VAL 82 CO -0.06 0.59 -0.17 -0.75 0.00 0.00 0.00 175.10 174.71 1zhb s LYS 83 N -0.76 2.37 -0.16 2.72 2.20 0.10 -1.20 119.74 125.02 1zhb s LYS 83 Ca 0.12 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.84 1zhb s LYS 83 Cb -0.12 -1.95 0.07 0.00 -1.51 0.00 0.00 37.83 34.32 1zhb s LYS 83 CO 0.02 -0.00 0.66 -1.58 -0.36 0.00 0.00 175.35 174.10 1zhb s HIS 84 N 0.81 -0.69 0.52 4.03 2.46 -1.26 -1.61 115.29 119.55 1zhb s HIS 84 Ca -0.10 1.47 0.26 0.00 0.47 0.00 0.00 55.06 57.17 1zhb s HIS 84 Cb -0.16 0.31 1.38 0.00 -0.13 0.00 0.00 32.58 33.99 1zhb s HIS 84 CO 0.01 -0.46 1.95 -0.44 -2.47 0.00 0.00 174.74 173.33 1zhb h ASP 85 N 4.17 0.05 0.15 9.88 3.32 -1.94 0.10 116.42 132.15 1zhb h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1zhb h ASP 85 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1zhb h ASP 85 CO 0.22 0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 1zhb n SER 86 N -4.36 0.00 -3.97 6.45 3.41 -1.26 -4.65 113.62 109.24 1zhb n SER 86 Ca 0.13 0.04 -0.24 0.00 -0.26 0.00 0.00 58.87 58.53 1zhb n SER 86 Cb 0.72 -0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.44 1.51 0.28 4.33 -1.94 0.35 -4.92 119.30 116.48 1zhb s MET 87 Ca 0.11 -0.32 -0.03 0.00 -1.71 0.00 0.00 55.69 53.74 1zhb s MET 87 Cb 0.07 -1.37 0.39 0.00 2.01 0.00 0.00 34.83 35.93 1zhb s MET 87 CO 0.15 -0.07 1.94 0.00 -0.01 0.00 0.00 175.02 177.03 1zhb h ALA 88 N 7.35 1.35 -2.88 3.03 0.00 -1.82 -3.43 119.26 122.85 1zhb h ALA 88 Ca -0.31 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 53.89 1zhb h ALA 88 Cb 1.17 -0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.45 1zhb h ALA 88 CO 0.45 0.58 -0.80 -1.21 0.00 0.00 0.00 179.25 178.27 1zhb s GLU 89 N -5.89 1.54 0.47 0.00 0.41 -1.26 -5.09 118.70 108.88 1zhb s GLU 89 Ca -0.12 -1.59 -0.23 0.00 -0.41 0.00 0.00 54.97 52.63 1zhb s GLU 89 Cb 0.18 -1.77 -0.07 0.00 -1.78 0.00 0.00 34.13 30.68 1zhb s GLU 89 CO 0.80 0.37 1.21 -2.14 -0.49 0.00 0.00 175.26 175.01 1zhb s PRO 90 N -2.93 3.68 -0.17 0.39 0.02 -1.26 -4.84 135.00 129.89 1zhb s PRO 90 Ca 0.23 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 63.06 1zhb s PRO 90 Cb -0.07 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1zhb s PRO 90 CO 0.11 -0.65 0.08 0.21 -0.33 0.00 0.00 177.00 176.42 1zhb s LYS 91 N -2.68 3.86 -0.12 5.54 2.20 -0.34 -4.92 119.74 123.28 1zhb s LYS 91 Ca 0.64 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.92 1zhb s LYS 91 Cb -0.31 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1zhb s LYS 91 CO 0.38 0.39 0.00 0.99 -0.36 0.00 0.00 175.35 176.75 1zhb s THR 92 N 0.06 4.30 -0.02 3.43 2.01 -1.26 0.15 115.64 124.31 1zhb s THR 92 Ca 0.07 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1zhb s THR 92 Cb -0.12 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1zhb s THR 92 CO 0.00 0.56 -0.07 0.54 -0.69 0.00 0.00 174.62 174.96 1zhb s VAL 93 N -0.42 0.62 0.19 3.82 0.11 -0.59 -4.98 120.40 119.16 1zhb s VAL 93 Ca 0.08 -0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1zhb s VAL 93 Cb -0.12 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 34.09 1zhb s VAL 93 CO 0.02 0.21 0.49 -0.31 -3.33 0.00 0.00 175.10 172.18 1zhb s TYR 94 N 0.31 3.45 -0.24 1.54 2.02 -1.26 -1.33 117.35 121.84 1zhb s TYR 94 Ca -0.04 0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 57.16 1zhb s TYR 94 Cb -0.09 -2.19 -0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1zhb s TYR 94 CO 0.00 0.34 1.21 -0.46 -1.57 0.00 0.00 175.55 175.06 1zhb s TRP 95 N -1.74 2.93 -0.29 2.71 -0.00 0.71 -4.85 118.94 118.41 1zhb s TRP 95 Ca 0.44 1.07 -0.10 0.00 -0.00 0.00 0.00 56.10 57.51 1zhb s TRP 95 Cb -0.12 -3.62 -0.03 0.00 -0.00 0.00 0.00 33.47 29.70 1zhb s TRP 95 CO 0.22 -1.35 0.17 0.34 -0.00 0.00 0.00 176.95 176.33 1zhb s ASP 96 N 2.04 5.79 0.56 5.86 -1.08 -1.26 -4.78 116.67 123.80 1zhb s ASP 96 Ca 0.52 -0.19 0.36 0.00 -0.52 0.00 0.00 52.55 52.71 1zhb s ASP 96 Cb -0.17 -2.07 1.59 0.00 -1.46 0.00 0.00 42.92 40.81 1zhb s ASP 96 CO 0.16 -0.10 2.06 0.08 0.52 0.00 0.00 175.17 177.89 1zhb h ARG 97 N 8.36 0.00 -0.07 4.34 0.11 -1.95 -1.44 114.38 123.74 1zhb h ARG 97 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1zhb h ARG 97 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1zhb h ARG 97 CO 0.58 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.40 1zhb n ASP 98 N -3.04 1.18 0.00 0.08 9.92 -1.26 -4.88 116.55 118.55 1zhb n ASP 98 Ca -0.00 -1.51 0.00 0.00 -0.53 0.00 0.00 54.79 52.75 1zhb n ASP 98 Cb 0.25 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1zhb n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56