#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 6.14 0.00 -3.46 0.01 -1.26 -4.40 113.70 110.74 3fif s SER 3 Ca 0.00 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.08 3fif s SER 3 Cb 0.00 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 3fif s SER 3 CO 0.00 -0.59 -0.25 -0.62 0.41 0.00 0.00 173.24 172.19 3fif s ASP 4 N -4.13 2.94 0.27 2.44 3.68 -1.22 -4.80 116.67 115.86 3fif s ASP 4 Ca 0.47 -0.49 0.10 0.00 2.13 0.00 0.00 52.55 54.75 3fif s ASP 4 Cb -0.10 -0.30 -0.04 0.00 -1.45 0.00 0.00 42.92 41.02 3fif s ASP 4 CO 0.42 0.28 -0.04 -0.31 0.13 0.00 0.00 175.17 175.65 3fif s TYR 5 N -0.66 2.61 0.00 -5.34 1.51 -1.23 -1.53 117.35 112.71 3fif s TYR 5 Ca 0.10 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 3fif s TYR 5 Cb -0.10 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3fif s TYR 5 CO 0.00 0.63 0.00 0.28 -1.11 0.00 0.00 175.55 175.35 3fif n VAL 6 N -0.85 0.00 -3.19 0.71 0.31 0.41 -0.99 118.33 114.74 3fif n VAL 6 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.28 3fif n VAL 6 Cb 0.59 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 -1.93 -2.11 0.86 3.52 0.00 -0.68 -0.76 121.76 120.67 3fif s ALA 8 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3fif s ALA 8 Cb 0.00 -2.32 0.11 0.00 0.00 0.00 0.00 23.12 20.91 3fif s ALA 8 CO 0.00 -1.65 1.09 0.95 0.00 0.00 0.00 175.76 176.16 3fif s THR 9 N 2.78 2.82 0.35 0.00 -4.23 -0.23 0.29 115.64 117.41 3fif s THR 9 Ca 0.13 0.27 0.28 0.00 -1.18 0.00 0.00 61.69 61.19 3fif s THR 9 Cb -0.12 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.32 3fif s THR 9 CO -0.25 -0.35 2.03 0.50 -0.54 0.00 0.00 174.62 176.02 3fif h LYS 10 N -1.47 0.00 0.00 3.99 3.64 0.25 -2.90 116.57 120.07 3fif h LYS 10 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3fif h LYS 10 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3fif h LYS 10 CO 0.52 0.13 -0.48 -0.40 -2.27 0.00 0.00 179.45 176.95 3fif n ASP 11 N -3.51 0.52 0.00 4.20 5.68 -1.26 -4.95 116.55 117.22 3fif n ASP 11 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 3fif n ASP 11 Cb 0.27 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fif n GLY 12 N 1.44 1.29 0.00 6.12 0.00 -1.09 -5.26 105.19 107.69 3fif n GLY 12 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.41 -3.22 1.61 1.74 -1.26 -4.82 116.66 113.12 3fif n ARG 13 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3fif n ARG 13 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3fif n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fif s ILE 15 N 0.00 -0.19 0.05 0.55 1.01 -1.26 -1.07 121.20 120.29 3fif s ILE 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 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 1.08 -0.76 0.00 0.00 0.00 174.94 175.26 3fif s LEU 16 N 2.36 4.39 -0.15 2.97 1.43 -1.26 -4.31 118.68 124.10 3fif s LEU 16 Ca -0.02 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 3fif s LEU 16 Cb -0.04 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 3fif s LEU 16 CO -0.15 -0.32 -0.13 -0.89 0.23 0.00 0.00 176.35 175.09 3fif s THR 17 N 0.82 2.98 -0.79 5.49 2.01 -0.16 -3.70 115.64 122.28 3fif s THR 17 Ca 0.54 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.61 3fif s THR 17 Cb -0.25 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.02 3fif s THR 17 CO 0.29 0.51 1.38 -0.62 -0.69 0.00 0.00 174.62 175.49 3fif s ASP 18 N 0.63 6.13 0.00 3.53 3.68 -0.20 -3.52 116.67 126.93 3fif s ASP 18 Ca -0.07 -0.59 0.00 0.00 2.13 0.00 0.00 52.55 54.02 3fif s ASP 18 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.76 3fif s ASP 18 CO 0.03 -1.84 0.00 0.61 0.13 0.00 0.00 175.17 174.10 3fif n GLY 19 N 5.73 0.27 3.64 2.66 0.00 -1.26 -4.47 105.19 111.77 3fif n GLY 19 Ca 0.11 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.34 3.90 0.57 1.61 2.20 -1.26 -4.59 119.74 119.82 3fif s LYS 20 Ca 0.00 1.88 -0.20 0.00 -0.36 0.00 0.00 55.97 57.29 3fif s LYS 20 Cb 0.00 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3fif s LYS 20 CO 0.00 -1.18 1.22 -1.25 -0.36 0.00 0.00 175.35 173.79 3fif s PRO 21 N 4.54 3.10 -0.19 4.03 0.04 -1.26 -5.01 135.00 140.26 3fif s PRO 21 Ca 0.74 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 3fif s PRO 21 Cb -0.29 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 3fif s PRO 21 CO 0.30 -1.11 -0.07 -1.21 0.04 0.00 0.00 177.00 174.94 3fif s GLU 22 N -3.18 3.40 -0.33 4.56 2.02 -0.93 -4.99 118.70 119.25 3fif s GLU 22 Ca 0.75 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 54.97 3fif s GLU 22 Cb -0.32 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3fif s GLU 22 CO 0.35 -0.03 0.25 0.96 0.02 0.00 0.00 175.26 176.81 3fif s ILE 23 N 1.02 5.27 -0.53 -1.63 -4.36 -1.26 -1.74 121.20 117.97 3fif s ILE 23 Ca -0.00 -0.09 -0.16 0.00 -0.26 0.00 0.00 60.65 60.14 3fif s ILE 23 Cb -0.15 -3.69 0.11 0.00 1.25 0.00 0.00 42.46 39.98 3fif s ILE 23 CO -0.01 0.03 0.52 -0.62 0.24 0.00 0.00 174.94 175.10 3fif s ASP 24 N 1.73 6.18 0.57 4.36 -1.08 -0.28 -4.93 116.67 123.22 3fif s ASP 24 Ca 0.07 -1.62 0.33 0.00 -0.52 0.00 0.00 52.55 50.82 3fif s ASP 24 Cb -0.17 -2.22 1.73 0.00 -1.46 0.00 0.00 42.92 40.80 3fif s ASP 24 CO 0.11 -0.86 2.15 0.44 0.52 0.00 0.00 175.17 177.53 3fif h ASP 25 N 8.91 0.00 0.29 -0.34 3.32 -1.96 0.27 116.42 126.92 3fif h ASP 25 Ca -0.30 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.45 3fif h ASP 25 Cb 1.10 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.68 3fif h ASP 25 CO 1.02 0.06 -1.32 0.44 -1.72 0.00 0.00 179.24 177.71 3fif h ASP 26 N 0.00 0.76 0.08 6.45 3.32 -1.96 -3.32 116.42 121.75 3fif h ASP 26 Ca -0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 3fif h ASP 26 Cb 0.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3fif h ASP 26 CO 0.01 1.58 -1.19 0.35 -1.72 0.00 0.00 179.24 178.26 3fif n THR 27 N -3.71 0.02 -2.01 0.35 -2.24 -1.13 -4.98 114.28 100.58 3fif n THR 27 Ca -0.13 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3fif n THR 27 Cb 1.03 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.43 0.22 3.33 3.38 0.00 0.95 -5.02 105.19 109.48 3fif n GLY 28 Ca 0.02 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.15 2.13 -0.23 0.99 1.43 -1.11 -2.64 118.68 116.10 3fif s LEU 29 Ca 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3fif s LEU 29 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3fif s LEU 29 CO 0.00 0.32 0.09 -0.69 0.23 0.00 0.00 176.35 176.30 3fif s VAL 30 N -0.64 4.76 -0.04 -1.59 1.01 -0.13 -1.13 120.40 122.64 3fif s VAL 30 Ca 0.10 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3fif s VAL 30 Cb -0.10 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3fif s VAL 30 CO -0.01 0.37 -0.21 -0.94 0.00 0.00 0.00 175.10 174.32 3fif s SER 31 N 1.09 3.48 0.00 3.32 1.04 -0.71 -0.10 113.70 121.82 3fif s SER 31 Ca 0.05 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3fif s SER 31 Cb -0.14 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.28 3fif s SER 31 CO 0.04 0.31 0.00 0.00 0.98 0.00 0.00 173.24 174.56 3fif n TYR 32 N 2.54 -0.06 -3.63 5.02 0.18 -1.26 -2.19 117.16 117.76 3fif n TYR 32 Ca -0.17 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.47 3fif n TYR 32 Cb 0.52 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.35 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 -2.76 -0.41 1.39 -3.48 3.76 -1.26 -4.45 115.29 108.08 3fif s HIS 33 Ca 0.00 0.85 -0.23 0.00 -0.15 0.00 0.00 55.06 55.53 3fif s HIS 33 Cb 0.00 -0.09 0.36 0.00 1.11 0.00 0.00 32.58 33.96 3fif s HIS 33 CO 0.00 -0.40 0.80 -0.40 -0.85 0.00 0.00 174.74 173.89 3fif n ASP 34 N 5.35 -4.05 -0.24 1.40 5.68 -0.87 -1.03 116.55 122.79 3fif n ASP 34 Ca -0.06 -0.81 -0.12 0.00 -0.50 0.00 0.00 54.79 53.30 3fif n ASP 34 Cb 0.50 -0.94 -0.09 0.00 -1.14 0.00 0.00 41.12 39.44 3fif n ASP 34 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fif h GLN 35 N 0.00 -0.24 -0.30 0.11 1.08 -1.93 -2.69 115.11 111.14 3fif h GLN 35 Ca -0.36 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 56.89 3fif h GLN 35 Cb 1.23 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 3fif h GLN 35 CO 0.22 -0.16 -0.35 1.96 -0.95 0.00 0.00 178.83 179.54 3fif h GLN 36 N -0.25 -0.21 0.00 1.46 1.08 -1.95 -3.46 115.11 111.78 3fif h GLN 36 Ca 0.11 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3fif h GLN 36 Cb 0.53 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3fif h GLN 36 CO -0.72 -0.14 0.00 0.41 -0.95 0.00 0.00 178.83 177.43 3fif n GLY 37 N -1.23 0.02 3.61 3.46 0.00 -1.01 -5.12 105.19 104.92 3fif n GLY 37 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.31 -4.78 1.61 3.02 -1.26 -4.70 115.26 110.46 3fif n ASN 38 Ca 0.00 1.13 -0.33 0.00 -0.03 0.00 0.00 54.58 55.34 3fif n ASN 38 Cb 0.00 -1.07 0.02 0.00 -0.61 0.00 0.00 39.78 38.12 3fif n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fif s ALA 39 N 1.30 2.62 0.00 5.41 0.00 -1.26 -2.05 121.76 127.77 3fif s ALA 39 Ca 0.92 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3fif s ALA 39 Cb -1.13 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3fif s ALA 39 CO 0.58 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 175.36 3fif n GLN 41 N -1.97 0.00 -4.17 0.00 10.64 -1.26 -4.94 117.38 115.67 3fif n GLN 41 Ca 0.10 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.11 3fif n GLN 41 Cb 0.52 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.77 3fif n GLN 41 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 3fif s ILE 42 N -0.72 0.59 0.33 -0.39 2.07 0.85 -4.97 121.20 118.97 3fif s ILE 42 Ca 0.00 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.29 3fif s ILE 42 Cb 0.00 -0.57 -0.12 0.00 0.13 0.00 0.00 42.46 41.90 3fif s ILE 42 CO 0.00 -0.07 1.43 0.59 -1.91 0.00 0.00 174.94 174.98 3fif n ASN 43 N 2.25 3.30 -0.22 4.50 5.03 -1.26 -0.95 115.26 127.91 3fif n ASN 43 Ca -0.17 1.20 -0.02 0.00 0.87 0.00 0.00 54.58 56.45 3fif n ASN 43 Cb 0.56 -1.54 0.09 0.00 -1.02 0.00 0.00 39.78 37.87 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 3.30 0.62 0.00 3.52 2.43 -1.83 -1.86 114.38 120.56 3fif h ARG 44 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3fif h ARG 44 Cb 1.26 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3fif h ARG 44 CO 0.68 0.41 0.00 -0.40 -1.51 0.00 0.00 179.97 179.15 3fif n ASP 45 N -4.82 0.00 -0.02 -3.80 5.68 -1.26 -0.03 116.55 112.30 3fif n ASP 45 Ca 0.08 0.33 0.11 0.00 -0.50 0.00 0.00 54.79 54.81 3fif n ASP 45 Cb 0.17 -0.38 0.11 0.00 -1.14 0.00 0.00 41.12 39.88 3fif n ASP 45 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3fif n ASP 46 N -1.38 0.75 -4.74 -1.12 8.00 -0.70 -4.84 116.55 112.53 3fif n ASP 46 Ca 0.02 -0.60 -0.36 0.00 0.71 0.00 0.00 54.79 54.56 3fif n ASP 46 Cb 0.05 0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.97 5.36 -0.19 2.53 1.01 0.96 0.22 120.40 127.32 3fif s VAL 47 Ca 0.11 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 3fif s VAL 47 Cb 0.17 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 3fif s VAL 47 CO 0.75 0.43 -0.25 -1.20 0.00 0.00 0.00 175.10 174.83 3fif n SER 48 N 3.42 1.90 -4.10 3.32 7.64 0.14 -4.76 113.62 121.18 3fif n SER 48 Ca -0.14 0.42 -0.17 0.00 1.01 0.00 0.00 58.87 59.99 3fif n SER 48 Cb 0.52 -0.81 -0.12 0.00 -1.01 0.00 0.00 64.21 62.79 3fif n SER 48 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3fif s GLN 49 N -2.61 0.70 -0.49 1.43 -0.21 -1.09 -4.99 119.66 112.41 3fif s GLN 49 Ca -0.27 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 54.31 3fif s GLN 49 Cb 0.06 -0.62 0.13 0.00 1.00 0.00 0.00 33.01 33.57 3fif s GLN 49 CO 0.41 0.14 0.31 0.42 -2.12 0.00 0.00 175.29 174.44 3fif s ILE 50 N -1.08 3.64 -0.06 1.08 -1.09 -1.26 -1.68 121.20 120.75 3fif s ILE 50 Ca -0.03 -2.24 -0.19 0.00 -2.23 0.00 0.00 60.65 55.96 3fif s ILE 50 Cb -0.09 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3fif s ILE 50 CO 0.01 -0.76 0.54 -0.63 -1.23 0.00 0.00 174.94 172.86 3fif s ILE 51 N 0.86 5.06 -0.08 2.92 1.01 0.06 -4.92 121.20 126.10 3fif s ILE 51 Ca 0.10 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.89 3fif s ILE 51 Cb -0.23 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3fif s ILE 51 CO -0.03 0.38 -0.23 -0.70 0.00 0.00 0.00 174.94 174.35 3fif s GLU 52 N 0.18 2.84 -0.25 2.79 2.12 -1.26 -0.44 118.70 124.68 3fif s GLU 52 Ca 0.29 -0.86 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 3fif s GLU 52 Cb -0.17 -2.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 3fif s GLU 52 CO 0.14 0.29 0.21 0.50 -0.54 0.00 0.00 175.26 175.86 3fif s ARG 53 N 0.07 4.05 -0.06 4.30 3.52 -0.58 -5.00 118.95 125.26 3fif s ARG 53 Ca -0.10 -0.20 -0.25 0.00 -0.13 0.00 0.00 55.73 55.05 3fif s ARG 53 Cb -0.16 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3fif s ARG 53 CO 0.06 -0.03 0.78 -0.51 -0.81 0.00 0.00 175.30 174.79 3fif s LEU 54 N 1.32 4.32 0.23 -0.88 1.02 -1.26 -3.42 118.68 120.01 3fif s LEU 54 Ca 0.09 1.30 -0.30 0.00 0.02 0.00 0.00 54.13 55.25 3fif s LEU 54 Cb -0.14 -3.21 -0.09 0.00 0.02 0.00 0.00 46.19 42.77 3fif s LEU 54 CO 0.07 -0.17 1.09 -0.70 0.02 0.00 0.00 176.35 176.66 3fif s GLU 55 N 0.93 4.64 -0.05 1.70 2.12 -1.26 -5.05 118.70 121.72 3fif s GLU 55 Ca 0.41 1.74 0.01 0.00 0.36 0.00 0.00 54.97 57.49 3fif s GLU 55 Cb -0.18 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 30.99 3fif s GLU 55 CO 0.20 0.18 -0.05 -1.01 -0.54 0.00 0.00 175.26 174.04 3fif s HIS 56 N -0.76 0.86 0.26 5.30 3.76 -1.26 -5.07 115.29 118.38 3fif s HIS 56 Ca 0.46 -0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 3fif s HIS 56 Cb -0.30 -0.76 -0.07 0.00 1.11 0.00 0.00 32.58 32.56 3fif s HIS 56 CO 0.38 -0.24 0.58 -1.01 -0.85 0.00 0.00 174.74 173.59 3fif s HIS 57 N 1.10 3.44 0.00 1.40 0.09 -1.26 -5.29 115.29 114.77 3fif s HIS 57 Ca -0.08 0.86 0.00 0.00 -0.00 0.00 0.00 55.06 55.84 3fif s HIS 57 Cb -0.14 -2.26 0.00 0.00 -0.00 0.00 0.00 32.58 30.18 3fif s HIS 57 CO -0.01 0.20 0.00 -2.39 -0.00 0.00 0.00 174.74 172.54