#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fif s SER 3 N 0.00 5.70 -0.02 4.04 0.01 -1.26 -4.32 113.70 117.86 3fif s SER 3 Ca 0.00 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.88 3fif s SER 3 Cb 0.00 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 3fif s SER 3 CO 0.00 -0.55 0.16 -1.81 0.41 0.00 0.00 173.24 171.45 3fif s ASP 4 N -4.21 6.27 0.15 2.44 -0.00 -0.88 -4.79 116.67 115.65 3fif s ASP 4 Ca 0.48 0.32 0.11 0.00 -0.00 0.00 0.00 52.55 53.46 3fif s ASP 4 Cb -0.09 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 40.84 3fif s ASP 4 CO 0.31 0.27 -0.25 -0.31 -0.00 0.00 0.00 175.17 175.19 3fif s TYR 5 N -1.29 2.26 0.00 4.23 1.51 -1.26 -0.47 117.35 122.33 3fif s TYR 5 Ca 0.26 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 3fif s TYR 5 Cb -0.12 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3fif s TYR 5 CO 0.17 0.39 0.00 0.28 -1.11 0.00 0.00 175.55 175.29 3fif n VAL 6 N 0.65 0.00 -3.50 0.71 0.31 -0.80 -3.28 118.33 112.42 3fif n VAL 6 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 3fif n VAL 6 Cb 0.54 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.43 3fif n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fif s ALA 8 N -1.77 -1.89 0.57 3.52 0.00 0.98 -0.98 121.76 122.19 3fif s ALA 8 Ca 0.00 1.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 3fif s ALA 8 Cb 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.34 3fif s ALA 8 CO 0.00 -1.03 0.83 0.95 0.00 0.00 0.00 175.76 176.50 3fif s THR 9 N 2.82 3.03 0.15 0.00 -4.23 -0.90 -1.70 115.64 114.82 3fif s THR 9 Ca 0.03 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 3fif s THR 9 Cb -0.13 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3fif s THR 9 CO -0.18 -0.15 1.54 0.11 -0.54 0.00 0.00 174.62 175.40 3fif h LYS 10 N -0.05 0.98 0.00 3.99 1.57 -1.80 -2.80 116.57 118.45 3fif h LYS 10 Ca -0.44 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 57.92 3fif h LYS 10 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3fif h LYS 10 CO 0.56 1.09 0.00 -0.40 -0.57 0.00 0.00 179.45 180.13 3fif n ASP 11 N -4.14 0.36 0.00 0.86 3.85 -1.26 -4.85 116.55 111.36 3fif n ASP 11 Ca -0.00 0.61 0.00 0.00 -0.71 0.00 0.00 54.79 54.69 3fif n ASP 11 Cb 0.45 -0.68 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fif n GLY 12 N -0.49 0.55 0.00 6.12 0.00 -1.06 -5.26 105.19 105.05 3fif n GLY 12 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3fif n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fif n ARG 13 N 0.00 3.82 -3.53 1.61 3.00 -1.26 -4.59 116.66 115.70 3fif n ARG 13 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.85 3fif n ARG 13 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3fif n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3fif s ILE 15 N 0.00 -0.10 0.00 0.55 1.01 -1.26 -2.12 121.20 119.28 3fif s ILE 15 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 3fif s ILE 15 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 3fif s ILE 15 CO 0.00 0.00 0.26 -0.76 0.00 0.00 0.00 174.94 174.44 3fif s LEU 16 N 1.56 4.37 0.36 2.97 1.02 -1.26 -4.38 118.68 123.32 3fif s LEU 16 Ca -0.06 0.55 0.04 0.00 0.02 0.00 0.00 54.13 54.67 3fif s LEU 16 Cb -0.03 -2.65 -0.05 0.00 0.02 0.00 0.00 46.19 43.48 3fif s LEU 16 CO -0.14 0.26 0.07 0.42 0.02 0.00 0.00 176.35 176.98 3fif s THR 17 N -1.29 1.07 -0.51 5.49 -4.23 -1.20 -4.43 115.64 110.54 3fif s THR 17 Ca 0.27 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3fif s THR 17 Cb -0.13 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 71.19 3fif s THR 17 CO 0.16 0.00 0.32 -0.62 -0.54 0.00 0.00 174.62 173.94 3fif s ASP 18 N -3.55 5.26 0.00 3.99 3.68 0.38 -4.62 116.67 121.81 3fif s ASP 18 Ca 0.31 -2.41 0.00 0.00 2.13 0.00 0.00 52.55 52.58 3fif s ASP 18 Cb 0.07 -1.85 0.00 0.00 -1.45 0.00 0.00 42.92 39.69 3fif s ASP 18 CO 0.15 -0.47 0.00 0.61 0.13 0.00 0.00 175.17 175.59 3fif n GLY 19 N 4.09 -1.73 3.61 2.66 0.00 -1.26 -4.27 105.19 108.28 3fif n GLY 19 Ca 0.02 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3fif n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fif s LYS 20 N 0.00 3.95 0.45 1.61 2.20 -1.26 -4.54 119.74 122.14 3fif s LYS 20 Ca 0.00 0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 55.77 3fif s LYS 20 Cb 0.00 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 3fif s LYS 20 CO 0.00 -0.57 1.36 -2.14 -0.36 0.00 0.00 175.35 173.64 3fif s PRO 21 N 2.67 3.72 -0.31 4.03 0.02 -1.26 -4.91 135.00 138.95 3fif s PRO 21 Ca 0.27 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.45 3fif s PRO 21 Cb -0.15 -2.63 -0.02 0.00 0.02 0.00 0.00 34.50 31.72 3fif s PRO 21 CO 0.11 -0.74 0.19 -2.00 -0.33 0.00 0.00 177.00 174.23 3fif s GLU 22 N -2.45 3.54 -0.34 5.54 2.12 0.12 -4.94 118.70 122.28 3fif s GLU 22 Ca 0.61 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 55.13 3fif s GLU 22 Cb -0.41 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.32 3fif s GLU 22 CO 0.51 -0.37 0.67 0.42 -0.54 0.00 0.00 175.26 175.96 3fif s ILE 23 N 1.68 4.87 -0.52 -3.70 1.01 -1.26 -1.16 121.20 122.11 3fif s ILE 23 Ca 0.06 0.77 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 3fif s ILE 23 Cb -0.17 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.34 3fif s ILE 23 CO 0.09 -0.28 0.46 -0.62 0.00 0.00 0.00 174.94 174.59 3fif s ASP 24 N 1.74 6.07 0.18 3.58 3.68 -0.42 -4.90 116.67 126.61 3fif s ASP 24 Ca 0.27 -1.80 0.20 0.00 2.13 0.00 0.00 52.55 53.35 3fif s ASP 24 Cb -0.14 -2.16 0.87 0.00 -1.45 0.00 0.00 42.92 40.03 3fif s ASP 24 CO 0.14 -0.81 1.62 0.47 0.13 0.00 0.00 175.17 176.72 3fif n ASP 25 N 5.17 0.46 0.10 -0.34 10.43 -1.26 -0.34 116.55 130.77 3fif n ASP 25 Ca -0.13 0.62 0.12 0.00 2.57 0.00 0.00 54.79 57.97 3fif n ASP 25 Cb 0.40 -0.72 0.11 0.00 1.84 0.00 0.00 41.12 42.76 3fif n ASP 25 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3fif h ASP 26 N 0.00 0.00 0.00 -2.24 3.32 -1.95 -3.37 116.42 112.18 3fif h ASP 26 Ca 0.00 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3fif h ASP 26 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3fif h ASP 26 CO 0.00 0.05 -1.17 0.35 -1.72 0.00 0.00 179.24 176.75 3fif n THR 27 N -2.47 0.14 -0.59 0.35 -2.24 -1.09 -5.02 114.28 103.37 3fif n THR 27 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3fif n THR 27 Cb 0.49 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3fif n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fif n GLY 28 N 2.75 0.66 3.42 3.38 0.00 0.54 -5.05 105.19 110.89 3fif n GLY 28 Ca -0.03 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 3fif n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fif s LEU 29 N 0.00 2.45 -0.23 0.99 1.43 -1.12 -1.37 118.68 120.83 3fif s LEU 29 Ca 0.00 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 3fif s LEU 29 Cb 0.00 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 3fif s LEU 29 CO 0.00 0.20 -0.03 -0.69 0.23 0.00 0.00 176.35 176.06 3fif s VAL 30 N -1.04 3.44 -0.14 -1.59 1.01 0.57 -1.30 120.40 121.35 3fif s VAL 30 Ca 0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3fif s VAL 30 Cb -0.10 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3fif s VAL 30 CO 0.07 0.37 0.10 -0.44 0.00 0.00 0.00 175.10 175.20 3fif s SER 31 N 1.48 5.99 0.26 3.32 0.01 -0.31 -1.50 113.70 122.94 3fif s SER 31 Ca 0.05 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.61 3fif s SER 31 Cb -0.15 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3fif s SER 31 CO -0.03 0.32 0.33 0.00 0.41 0.00 0.00 173.24 174.28 3fif n TYR 32 N 2.55 -1.07 -4.76 2.43 0.18 -1.26 0.11 117.16 115.34 3fif n TYR 32 Ca -0.18 -1.83 -0.29 0.00 1.88 0.00 0.00 57.90 57.47 3fif n TYR 32 Cb 0.54 0.37 -0.17 0.00 -0.38 0.00 0.00 39.34 39.70 3fif n TYR 32 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3fif s HIS 33 N -3.35 2.16 0.90 -3.48 3.76 -1.26 -4.41 115.29 109.61 3fif s HIS 33 Ca 0.23 -0.95 -0.13 0.00 -0.15 0.00 0.00 55.06 54.06 3fif s HIS 33 Cb -0.00 -1.50 0.20 0.00 1.11 0.00 0.00 32.58 32.39 3fif s HIS 33 CO 0.17 -0.44 1.22 -0.40 -0.85 0.00 0.00 174.74 174.44 3fif n ASP 34 N 3.89 0.31 -3.48 1.40 5.68 -0.93 0.14 116.55 123.56 3fif n ASP 34 Ca -0.20 -1.57 -0.40 0.00 -0.50 0.00 0.00 54.79 52.11 3fif n ASP 34 Cb 0.52 -0.92 -0.02 0.00 -1.14 0.00 0.00 41.12 39.57 3fif n ASP 34 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fif n GLN 35 N -3.55 3.45 -0.21 0.11 6.02 -1.26 -2.96 117.38 118.99 3fif n GLN 35 Ca 0.16 -2.44 -0.00 0.00 -0.01 0.00 0.00 57.00 54.70 3fif n GLN 35 Cb 0.56 -2.97 -0.00 0.00 1.02 0.00 0.00 30.24 28.85 3fif n GLN 35 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3fif n GLN 36 N 4.37 0.00 0.00 -1.09 -0.06 -1.26 -5.00 117.38 114.35 3fif n GLN 36 Ca 0.68 -0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 3fif n GLN 36 Cb 0.29 0.13 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 3fif n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fif n GLY 37 N 0.00 1.27 3.64 1.69 0.00 -1.15 -4.94 105.19 105.69 3fif n GLY 37 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 3fif n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fif n ASN 38 N 0.19 2.43 -4.89 1.61 4.13 -1.26 -4.76 115.26 112.71 3fif n ASN 38 Ca 0.00 1.11 -0.29 0.00 1.68 0.00 0.00 54.58 57.08 3fif n ASN 38 Cb 0.00 -1.33 -0.01 0.00 -1.54 0.00 0.00 39.78 36.90 3fif n ASN 38 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fif s ALA 39 N 0.57 3.31 -0.22 5.41 0.00 -1.26 -2.18 121.76 127.39 3fif s ALA 39 Ca 0.79 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3fif s ALA 39 Cb -0.78 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 19.75 3fif s ALA 39 CO 0.43 -0.32 1.15 -0.65 0.00 0.00 0.00 175.76 176.38 3fif s GLN 41 N -4.55 0.37 -0.18 0.00 -0.21 -1.26 -4.99 119.66 108.84 3fif s GLN 41 Ca 0.50 0.14 -0.14 0.00 0.02 0.00 0.00 55.36 55.89 3fif s GLN 41 Cb -0.10 0.18 0.05 0.00 1.00 0.00 0.00 33.01 34.13 3fif s GLN 41 CO 0.42 -0.10 0.46 -1.50 -2.12 0.00 0.00 175.29 172.45 3fif s ILE 42 N -0.85 -0.01 0.28 1.08 2.07 -0.56 -4.96 121.20 118.25 3fif s ILE 42 Ca 0.03 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 3fif s ILE 42 Cb -0.01 -0.66 -0.13 0.00 0.13 0.00 0.00 42.46 41.79 3fif s ILE 42 CO -0.04 0.01 1.34 0.59 -1.91 0.00 0.00 174.94 174.93 3fif n ASN 43 N 3.34 2.65 -0.32 4.50 5.03 -1.26 -0.32 115.26 128.88 3fif n ASN 43 Ca -0.17 1.17 -0.04 0.00 0.87 0.00 0.00 54.58 56.41 3fif n ASN 43 Cb 0.56 -1.44 0.09 0.00 -1.02 0.00 0.00 39.78 37.98 3fif n ASN 43 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3fif h ARG 44 N 3.47 1.24 0.00 3.52 2.43 -1.53 -0.93 114.38 122.58 3fif h ARG 44 Ca -0.45 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3fif h ARG 44 Cb 1.28 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3fif h ARG 44 CO 0.70 0.92 0.00 -0.40 -1.51 0.00 0.00 179.97 179.68 3fif n ASP 45 N -4.32 0.00 -0.46 -3.80 3.85 -1.26 0.00 116.55 110.56 3fif n ASP 45 Ca 0.09 -0.55 0.11 0.00 -0.71 0.00 0.00 54.79 53.73 3fif n ASP 45 Cb 0.11 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 3fif n ASP 45 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3fif n ASP 46 N -0.97 1.96 -4.41 -1.12 8.00 -0.36 -4.92 116.55 114.73 3fif n ASP 46 Ca 0.12 -1.48 -0.33 0.00 0.71 0.00 0.00 54.79 53.81 3fif n ASP 46 Cb 0.05 0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 3fif n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fif s VAL 47 N -2.51 2.88 -0.03 2.53 1.01 0.10 -2.46 120.40 121.91 3fif s VAL 47 Ca 0.18 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3fif s VAL 47 Cb 0.18 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3fif s VAL 47 CO 0.59 0.57 0.00 -1.54 0.00 0.00 0.00 175.10 174.72 3fif n SER 48 N 2.75 4.12 -3.85 3.32 3.41 -0.69 -4.83 113.62 117.84 3fif n SER 48 Ca -0.17 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 3fif n SER 48 Cb 0.52 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.78 3fif n SER 48 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fif s GLN 49 N -2.08 0.05 -0.36 4.33 -0.21 -0.73 -5.00 119.66 115.67 3fif s GLN 49 Ca -0.02 0.07 0.03 0.00 0.02 0.00 0.00 55.36 55.46 3fif s GLN 49 Cb 0.01 0.02 0.10 0.00 1.00 0.00 0.00 33.01 34.14 3fif s GLN 49 CO 0.12 -0.01 0.09 0.42 -2.12 0.00 0.00 175.29 173.78 3fif s ILE 50 N 0.06 2.08 -0.07 1.08 1.09 -1.26 -0.01 121.20 124.17 3fif s ILE 50 Ca -0.00 -2.33 -0.23 0.00 -1.10 0.00 0.00 60.65 56.99 3fif s ILE 50 Cb -0.01 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.83 3fif s ILE 50 CO -0.00 -0.64 0.70 -0.63 -0.10 0.00 0.00 174.94 174.27 3fif s ILE 51 N 0.86 5.05 -0.25 2.92 1.01 -0.15 -4.96 121.20 125.67 3fif s ILE 51 Ca 0.12 1.45 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 3fif s ILE 51 Cb -0.20 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3fif s ILE 51 CO -0.09 0.25 -0.00 -0.70 0.00 0.00 0.00 174.94 174.39 3fif s GLU 52 N 0.80 3.13 -0.55 2.79 2.12 -1.26 -1.91 118.70 123.82 3fif s GLU 52 Ca 0.38 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.70 3fif s GLU 52 Cb -0.18 -3.14 0.07 0.00 0.26 0.00 0.00 34.13 31.14 3fif s GLU 52 CO 0.18 -0.34 0.72 0.50 -0.54 0.00 0.00 175.26 175.79 3fif s ARG 53 N 1.45 3.13 0.22 4.30 3.52 0.38 -4.96 118.95 126.97 3fif s ARG 53 Ca 0.03 -0.92 -0.31 0.00 -0.13 0.00 0.00 55.73 54.40 3fif s ARG 53 Cb -0.16 -4.15 -0.11 0.00 -1.56 0.00 0.00 34.95 28.97 3fif s ARG 53 CO -0.01 -1.41 1.62 -0.51 -0.81 0.00 0.00 175.30 174.18 3fif s LEU 54 N 2.97 4.37 0.27 -0.88 1.43 -1.26 -2.08 118.68 123.50 3fif s LEU 54 Ca 0.17 2.80 -0.21 0.00 -1.03 0.00 0.00 54.13 55.86 3fif s LEU 54 Cb -0.19 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 3fif s LEU 54 CO 0.11 -0.89 0.79 -0.70 0.23 0.00 0.00 176.35 175.89 3fif s GLU 55 N 0.60 4.29 -0.05 1.70 2.12 -1.26 -4.96 118.70 121.15 3fif s GLU 55 Ca 0.69 0.96 -0.01 0.00 0.36 0.00 0.00 54.97 56.97 3fif s GLU 55 Cb -0.47 -2.76 0.03 0.00 0.26 0.00 0.00 34.13 31.19 3fif s GLU 55 CO 0.37 0.31 0.03 -1.01 -0.54 0.00 0.00 175.26 174.42 3fif s HIS 56 N -1.64 0.31 -0.06 5.30 3.76 -1.26 -5.03 115.29 116.67 3fif s HIS 56 Ca 0.47 0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 55.44 3fif s HIS 56 Cb -0.16 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.00 3fif s HIS 56 CO 0.21 -0.22 -0.03 -3.38 -0.85 0.00 0.00 174.74 170.47 3fif s HIS 57 N 1.80 0.82 -2.32 1.40 -3.43 -1.26 -5.26 115.29 107.04 3fif s HIS 57 Ca 0.01 -0.26 0.19 0.00 -0.80 0.00 0.00 55.06 54.19 3fif s HIS 57 Cb -0.12 -0.80 0.15 0.00 -1.43 0.00 0.00 32.58 30.38 3fif s HIS 57 CO -0.03 -0.29 1.09 1.58 -2.00 0.00 0.00 174.74 175.09