#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2g s ILE 2 N 0.00 1.66 0.15 0.52 -0.00 -1.26 -4.61 121.20 117.65 1f2g s ILE 2 Ca 0.00 -0.77 -0.01 0.00 -0.00 0.00 0.00 60.65 59.87 1f2g s ILE 2 Cb 0.00 -1.47 -0.04 0.00 -0.00 0.00 0.00 42.46 40.94 1f2g s ILE 2 CO 0.00 0.47 0.33 -0.70 -0.00 0.00 0.00 174.94 175.05 1f2g s GLU 3 N 0.65 3.52 0.00 0.37 2.12 -0.03 -4.87 118.70 120.46 1f2g s GLU 3 Ca -0.13 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1f2g s GLU 3 Cb -0.16 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1f2g s GLU 3 CO 0.04 0.48 0.50 1.55 -0.54 0.00 0.00 175.26 177.29 1f2g n VAL 4 N -0.24 0.21 -3.25 3.70 3.14 -1.26 -1.36 118.33 119.27 1f2g n VAL 4 Ca -0.04 -0.47 0.05 0.00 -2.96 0.00 0.00 64.34 60.92 1f2g n VAL 4 Cb 0.53 1.09 -0.01 0.00 -1.06 0.00 0.00 33.84 34.39 1f2g n VAL 4 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f2g n ASN 5 N -0.10 -5.53 -0.00 6.55 4.13 -1.21 -4.40 115.26 114.70 1f2g n ASN 5 Ca 0.00 0.37 -0.00 0.00 1.68 0.00 0.00 54.58 56.63 1f2g n ASN 5 Cb 0.14 -1.07 -0.00 0.00 -1.54 0.00 0.00 39.78 37.31 1f2g n ASN 5 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1f2g n ASP 6 N -3.52 4.62 0.22 6.41 2.03 -1.26 -4.56 116.55 120.49 1f2g n ASP 6 Ca 0.00 -0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1f2g n ASP 6 Cb 0.16 0.38 0.75 0.00 -0.72 0.00 0.00 41.12 41.69 1f2g n ASP 6 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1f2g h ASP 7 N 0.00 0.00 -3.39 1.67 3.32 -1.97 -3.42 116.42 112.63 1f2g h ASP 7 Ca -0.02 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.51 1f2g h ASP 7 Cb 1.03 0.00 0.22 0.00 0.22 0.00 0.00 39.33 40.80 1f2g h ASP 7 CO -0.00 0.00 -0.54 0.00 -1.72 0.00 0.00 179.24 176.98 1f2g n MET 9 N -2.03 0.00 0.00 0.00 2.81 -1.26 -4.98 117.12 111.66 1f2g n MET 9 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1f2g n MET 9 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 1f2g n MET 9 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f2g n ALA 10 N -2.16 0.00 0.14 3.04 0.00 -1.26 -4.03 120.51 116.24 1f2g n ALA 10 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f2g n ALA 10 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1f2g n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f2g n GLU 12 N -3.73 -0.99 -0.04 0.00 4.71 -1.26 -4.85 120.64 114.49 1f2g n GLU 12 Ca -0.01 0.25 -0.13 0.00 -0.01 0.00 0.00 57.16 57.26 1f2g n GLU 12 Cb 0.62 -4.10 -0.08 0.00 -1.01 0.00 0.00 31.44 26.86 1f2g n GLU 12 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1f2g h ALA 13 N 0.00 0.12 -0.47 0.62 0.00 -1.94 0.25 119.26 117.84 1f2g h ALA 13 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1f2g h ALA 13 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1f2g h ALA 13 CO 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.46 1f2g h VAL 15 N 0.64 1.47 0.00 0.00 2.07 -1.73 0.36 116.25 119.06 1f2g h VAL 15 Ca 0.17 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1f2g h VAL 15 Cb -0.02 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1f2g h VAL 15 CO -0.03 0.67 0.00 -0.33 0.02 0.00 0.00 177.57 177.90 1f2g h GLU 16 N 0.07 0.00 0.01 1.57 4.39 0.16 -0.16 114.58 120.61 1f2g h GLU 16 Ca -0.01 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.28 1f2g h GLU 16 Cb 1.25 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1f2g h GLU 16 CO 0.10 0.00 -2.28 1.51 -1.16 0.00 0.00 179.01 177.18 1f2g n ILE 17 N -2.55 1.54 -3.40 3.13 0.00 0.16 -4.77 119.36 113.47 1f2g n ILE 17 Ca 0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 62.75 62.11 1f2g n ILE 17 Cb 0.38 -1.76 -0.10 0.00 0.00 0.00 0.00 39.64 38.16 1f2g n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f2g n PRO 19 N 2.46 0.75 0.00 0.00 -0.04 -0.08 -1.66 135.00 136.44 1f2g n PRO 19 Ca 0.28 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1f2g n PRO 19 Cb 0.47 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1f2g n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1f2g n ASP 20 N -0.89 1.25 -0.04 3.54 8.00 -1.26 -4.33 116.55 122.82 1f2g n ASP 20 Ca 0.14 -1.13 -0.05 0.00 0.71 0.00 0.00 54.79 54.47 1f2g n ASP 20 Cb 0.06 0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 1f2g n ASP 20 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1f2g n VAL 21 N -1.04 0.56 -3.81 2.53 0.31 -0.77 -3.98 118.33 112.14 1f2g n VAL 21 Ca 0.05 -0.32 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 1f2g n VAL 21 Cb 0.35 -0.80 -0.17 0.00 -0.91 0.00 0.00 33.84 32.31 1f2g n VAL 21 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1f2g s PHE 22 N -2.20 1.04 -0.15 3.52 0.08 -0.67 -1.50 117.98 118.11 1f2g s PHE 22 Ca -0.06 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.48 1f2g s PHE 22 Cb 0.03 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1f2g s PHE 22 CO 0.32 -0.46 -0.20 -2.00 -0.10 0.00 0.00 175.22 172.78 1f2g s GLU 23 N 1.85 2.91 0.42 0.44 2.56 0.11 -4.34 118.70 122.65 1f2g s GLU 23 Ca 0.03 -0.81 -0.17 0.00 0.00 0.00 0.00 54.97 54.03 1f2g s GLU 23 Cb -0.14 -2.42 -0.13 0.00 2.00 0.00 0.00 34.13 33.44 1f2g s GLU 23 CO -0.07 -0.10 -0.05 -1.33 -0.56 0.00 0.00 175.26 173.16 1f2g n MET 24 N 4.31 0.00 0.00 4.30 2.81 -1.26 -0.89 117.12 126.39 1f2g n MET 24 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1f2g n MET 24 Cb 0.51 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 1f2g n MET 24 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1f2g n ASN 25 N 2.17 0.00 -0.00 7.83 5.15 0.58 -4.51 115.26 126.48 1f2g n ASN 25 Ca 0.08 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.16 1f2g n ASN 25 Cb 0.40 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.51 1f2g n ASN 25 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1f2g n GLU 26 N 0.00 0.30 0.00 1.20 2.13 -1.26 -4.23 120.64 118.78 1f2g n GLU 26 Ca 0.00 -0.09 0.03 0.00 0.66 0.00 0.00 57.16 57.76 1f2g n GLU 26 Cb 0.00 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.17 1f2g n GLU 26 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1f2g n GLU 27 N -1.84 4.04 -2.91 5.31 1.02 -1.26 -5.00 120.64 120.00 1f2g n GLU 27 Ca 0.00 -0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 56.87 1f2g n GLU 27 Cb 0.44 -0.86 0.03 0.00 -0.02 0.00 0.00 31.44 31.03 1f2g n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f2g n GLY 28 N 1.02 0.24 0.00 0.62 0.00 -1.26 -4.91 105.19 100.89 1f2g n GLY 28 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1f2g n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f2g n ASP 29 N -0.48 0.90 -3.65 1.61 2.03 -1.26 -4.91 116.55 110.79 1f2g n ASP 29 Ca -0.01 -1.14 -0.06 0.00 0.52 0.00 0.00 54.79 54.11 1f2g n ASP 29 Cb 0.53 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.87 1f2g n ASP 29 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1f2g s LYS 30 N -0.14 0.55 -0.53 -0.67 2.20 -1.26 -4.37 119.74 115.52 1f2g s LYS 30 Ca 0.00 1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 56.55 1f2g s LYS 30 Cb 0.00 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1f2g s LYS 30 CO 0.00 -0.19 1.23 0.00 -0.36 0.00 0.00 175.35 176.03 1f2g s ALA 31 N 2.23 3.02 0.34 3.13 0.00 -1.26 0.21 121.76 129.44 1f2g s ALA 31 Ca -0.07 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 1f2g s ALA 31 Cb -0.09 -4.00 -0.09 0.00 0.00 0.00 0.00 23.12 18.94 1f2g s ALA 31 CO -0.17 -2.56 0.79 0.08 0.00 0.00 0.00 175.76 173.90 1f2g s VAL 32 N 5.00 4.59 0.24 0.00 1.01 -0.07 -4.79 120.40 126.38 1f2g s VAL 32 Ca 0.47 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1f2g s VAL 32 Cb -0.08 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1f2g s VAL 32 CO 0.28 -0.19 0.91 -0.69 0.00 0.00 0.00 175.10 175.42 1f2g s VAL 33 N -2.00 4.14 -0.00 2.92 1.01 -1.26 0.09 120.40 125.30 1f2g s VAL 33 Ca 0.55 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.51 1f2g s VAL 33 Cb -0.10 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 1f2g s VAL 33 CO 0.17 0.44 -0.00 2.30 0.00 0.00 0.00 175.10 178.01 1f2g n ILE 34 N 1.35 0.02 -3.80 2.22 -5.35 -0.56 -4.85 119.36 108.38 1f2g n ILE 34 Ca -0.02 -0.01 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1f2g n ILE 34 Cb 0.48 -0.61 -0.11 0.00 -1.74 0.00 0.00 39.64 37.66 1f2g n ILE 34 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1f2g s ASN 35 N -3.82 5.04 0.00 7.28 3.84 -1.22 -4.94 114.94 121.12 1f2g s ASN 35 Ca -0.00 -3.23 0.00 0.00 0.21 0.00 0.00 52.86 49.83 1f2g s ASN 35 Cb 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 1f2g s ASN 35 CO 0.01 -0.25 1.41 -0.81 -2.79 0.00 0.00 177.10 174.67 1f2g n PRO 36 N 2.90 0.75 0.00 0.43 -0.04 -1.26 -2.59 135.00 135.20 1f2g n PRO 36 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1f2g n PRO 36 Cb 0.36 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1f2g n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f2g n ASP 37 N 1.50 0.00 0.00 3.54 2.03 -1.26 -3.69 116.55 118.67 1f2g n ASP 37 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1f2g n ASP 37 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1f2g n ASP 37 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1f2g n SER 38 N 0.00 0.00 -3.64 1.67 2.88 -1.07 -4.96 113.62 108.50 1f2g n SER 38 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1f2g n SER 38 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1f2g n SER 38 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1f2g n ASP 39 N -0.53 -1.71 -0.37 -3.46 2.03 -1.26 -4.84 116.55 106.41 1f2g n ASP 39 Ca 0.00 -0.80 0.03 0.00 0.52 0.00 0.00 54.79 54.55 1f2g n ASP 39 Cb 0.00 -4.23 0.10 0.00 -0.72 0.00 0.00 41.12 36.27 1f2g n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1f2g n LEU 40 N -4.20 1.07 0.00 -2.67 4.32 -1.26 -4.80 117.00 109.46 1f2g n LEU 40 Ca -0.28 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.18 1f2g n LEU 40 Cb 0.67 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1f2g n LEU 40 CO 0.67 0.27 0.00 -0.67 -1.22 0.00 0.00 177.39 176.43 1f2g n ASP 41 N 0.08 -0.35 -1.15 -1.43 2.03 -1.26 -4.88 116.55 109.59 1f2g n ASP 41 Ca 0.07 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.47 1f2g n ASP 41 Cb 0.17 -0.06 0.27 0.00 -0.72 0.00 0.00 41.12 40.78 1f2g n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f2g n VAL 43 N 0.99 1.27 0.10 0.00 0.31 -1.26 -3.19 118.33 116.55 1f2g n VAL 43 Ca 0.20 -0.74 -0.16 0.00 -0.01 0.00 0.00 64.34 63.64 1f2g n VAL 43 Cb 0.65 -0.74 -0.14 0.00 -0.91 0.00 0.00 33.84 32.70 1f2g n VAL 43 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1f2g h GLU 44 N 0.00 0.28 -0.00 5.55 4.11 -2.00 -2.91 114.58 119.60 1f2g h GLU 44 Ca -0.25 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.71 1f2g h GLU 44 Cb 1.78 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1f2g h GLU 44 CO 0.05 1.22 -0.06 -0.85 0.07 0.00 0.00 179.01 179.45 1f2g n GLU 45 N -3.54 0.05 0.05 1.06 0.28 -1.26 -1.60 120.64 115.69 1f2g n GLU 45 Ca -0.08 -0.01 0.06 0.00 -0.16 0.00 0.00 57.16 56.97 1f2g n GLU 45 Cb 1.02 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.33 1f2g n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f2g n ALA 46 N -1.47 2.31 -0.06 -1.84 0.00 -1.19 -3.20 120.51 115.06 1f2g n ALA 46 Ca 0.08 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1f2g n ALA 46 Cb 0.33 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 1f2g n ALA 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f2g n ILE 47 N -2.69 1.65 -0.25 0.00 5.41 -1.10 -3.19 119.36 119.18 1f2g n ILE 47 Ca -0.06 -0.35 -0.03 0.00 1.00 0.00 0.00 62.75 63.32 1f2g n ILE 47 Cb 0.68 -1.87 0.08 0.00 -0.71 0.00 0.00 39.64 37.83 1f2g n ILE 47 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1f2g h ASP 48 N -0.49 0.72 0.98 4.38 1.82 -1.47 0.15 116.42 122.52 1f2g h ASP 48 Ca -0.41 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1f2g h ASP 48 Cb 1.67 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1f2g h ASP 48 CO -0.09 0.49 0.00 0.28 -1.61 0.00 0.00 179.24 178.32 1f2g h SER 49 N 0.86 0.00 -3.53 2.28 0.02 -1.71 -3.41 113.55 108.06 1f2g h SER 49 Ca 0.29 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.63 1f2g h SER 49 Cb 0.04 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.47 1f2g h SER 49 CO -0.12 0.00 0.42 0.00 -1.14 0.00 0.00 176.83 175.99 1f2g h PRO 51 N 8.52 0.00 -0.00 0.00 0.13 -1.80 -2.69 132.00 136.16 1f2g h PRO 51 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1f2g h PRO 51 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1f2g h PRO 51 CO 0.93 0.62 -0.07 0.00 -0.23 0.00 0.00 178.00 179.26 1f2g n ALA 52 N -2.35 2.60 -3.60 -0.56 0.00 -1.26 -4.90 120.51 110.44 1f2g n ALA 52 Ca -0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1f2g n ALA 52 Cb 0.68 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1f2g n ALA 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1f2g n GLU 53 N -1.27 -0.90 0.03 0.00 0.00 -1.02 -4.70 120.64 112.79 1f2g n GLU 53 Ca 0.12 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.49 1f2g n GLU 53 Cb 0.28 -2.63 0.52 0.00 0.00 0.00 0.00 31.44 29.61 1f2g n GLU 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f2g n ALA 54 N -3.12 2.41 -2.72 -1.84 0.00 -1.26 -4.75 120.51 109.23 1f2g n ALA 54 Ca -0.09 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 1f2g n ALA 54 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 1f2g n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f2g s ILE 55 N -3.04 5.08 0.26 0.00 -1.09 -1.26 -3.30 121.20 117.86 1f2g s ILE 55 Ca 0.13 1.33 0.02 0.00 -2.23 0.00 0.00 60.65 59.90 1f2g s ILE 55 Cb 0.17 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1f2g s ILE 55 CO 0.57 0.26 0.17 0.68 -1.23 0.00 0.00 174.94 175.39 1f2g s VAL 56 N 0.78 0.14 -0.40 2.92 -7.23 -0.46 -4.96 120.40 111.20 1f2g s VAL 56 Ca 0.35 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.67 1f2g s VAL 56 Cb -0.17 -2.51 0.53 0.00 0.56 0.00 0.00 36.38 34.79 1f2g s VAL 56 CO 0.16 0.00 1.44 -2.11 -0.31 0.00 0.00 175.10 174.28 1f2g n ARG 57 N -0.45 3.19 0.00 4.82 1.85 -1.26 -0.85 116.66 123.96 1f2g n ARG 57 Ca 0.03 -2.74 0.00 0.00 -1.00 0.00 0.00 57.85 54.14 1f2g n ARG 57 Cb 0.65 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1f2g n ARG 57 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07