#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2g n ILE 2 N 0.00 3.69 -2.61 0.52 -0.00 -1.24 0.15 119.36 119.87 1f2g n ILE 2 Ca 0.00 -3.50 0.00 0.00 -0.00 0.00 0.00 62.75 59.25 1f2g n ILE 2 Cb 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 39.64 37.13 1f2g n ILE 2 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1f2g n GLU 3 N 6.58 0.94 0.00 0.38 1.02 -0.22 -4.69 120.64 124.64 1f2g n GLU 3 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1f2g n GLU 3 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1f2g n GLU 3 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1f2g n VAL 4 N 0.00 0.00 -2.78 2.62 0.24 -1.26 0.39 118.33 117.54 1f2g n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1f2g n VAL 4 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1f2g n VAL 4 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1f2g n ASN 5 N 0.00 0.00 -0.75 -1.34 0.23 -1.26 -4.61 115.26 107.53 1f2g n ASN 5 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 1f2g n ASN 5 Cb 0.00 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.02 1f2g n ASN 5 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1f2g n ASP 6 N 0.30 2.27 -0.02 0.53 2.03 -1.26 -3.94 116.55 116.46 1f2g n ASP 6 Ca 0.00 -1.79 -0.21 0.00 0.52 0.00 0.00 54.79 53.30 1f2g n ASP 6 Cb 0.00 -0.12 -0.13 0.00 -0.72 0.00 0.00 41.12 40.15 1f2g n ASP 6 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1f2g n ASP 7 N 0.73 2.08 -4.17 1.67 2.03 -1.26 -4.94 116.55 112.69 1f2g n ASP 7 Ca 0.17 0.23 -0.35 0.00 0.52 0.00 0.00 54.79 55.36 1f2g n ASP 7 Cb 0.44 -0.86 0.08 0.00 -0.72 0.00 0.00 41.12 40.06 1f2g n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f2g n MET 9 N 0.63 0.00 0.00 0.00 1.56 -1.26 -5.01 117.12 113.03 1f2g n MET 9 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1f2g n MET 9 Cb 0.59 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.96 1f2g n MET 9 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1f2g n ALA 10 N -2.39 0.00 0.14 -5.12 0.00 -1.26 -4.56 120.51 107.31 1f2g n ALA 10 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1f2g n ALA 10 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.81 -0.67 -0.02 0.00 2.13 -1.26 -4.88 120.64 112.12 1f2g n GLU 12 Ca -0.01 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.89 1f2g n GLU 12 Cb 0.61 -3.75 -0.10 0.00 0.27 0.00 0.00 31.44 28.48 1f2g n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f2g h ALA 13 N 0.00 0.03 -0.83 4.31 0.00 -1.91 0.44 119.26 121.31 1f2g h ALA 13 Ca -0.01 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1f2g h ALA 13 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1f2g h ALA 13 CO 0.01 -0.19 0.50 0.00 0.00 0.00 0.00 179.25 179.57 1f2g h VAL 15 N 0.89 1.41 -0.28 0.00 2.07 -1.73 0.15 116.25 118.76 1f2g h VAL 15 Ca 0.37 -1.96 -0.19 0.00 0.82 0.00 0.00 66.70 65.74 1f2g h VAL 15 Cb 0.22 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 1f2g h VAL 15 CO -0.19 0.56 0.19 -0.62 0.02 0.00 0.00 177.57 177.52 1f2g n GLU 16 N -3.86 1.53 0.00 1.57 -0.58 0.15 -2.90 120.64 116.55 1f2g n GLU 16 Ca -0.01 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1f2g n GLU 16 Cb 0.58 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 1f2g n GLU 16 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1f2g n ILE 17 N 1.01 0.00 -3.24 -3.67 0.00 -1.15 -4.92 119.36 107.39 1f2g n ILE 17 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 62.75 62.71 1f2g n ILE 17 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 39.64 40.14 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 0.98 0.75 0.00 0.00 -0.04 -1.14 -1.43 135.00 134.12 1f2g n PRO 19 Ca 0.25 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1f2g n PRO 19 Cb 0.50 -1.46 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.96 2.67 0.00 3.54 8.00 -1.26 -4.35 116.55 124.19 1f2g n ASP 20 Ca 0.17 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1f2g n ASP 20 Cb 0.08 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.00 -3.99 2.53 0.31 -0.80 -4.20 118.33 113.23 1f2g n VAL 21 Ca 0.14 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 1f2g n VAL 21 Cb 0.55 -0.43 -0.17 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.77 1.37 0.02 3.52 0.08 -0.51 -0.19 117.98 120.50 1f2g s PHE 22 Ca 0.00 -0.64 0.06 0.00 0.12 0.00 0.00 56.93 56.47 1f2g s PHE 22 Cb 0.00 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 1f2g s PHE 22 CO 0.00 -0.46 -0.18 -2.00 -0.10 0.00 0.00 175.22 172.48 1f2g s GLU 23 N 1.57 1.30 1.00 0.44 2.12 0.54 -4.18 118.70 121.50 1f2g s GLU 23 Ca 0.02 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.35 1f2g s GLU 23 Cb -0.13 -1.34 -0.16 0.00 0.26 0.00 0.00 34.13 32.76 1f2g s GLU 23 CO -0.06 0.35 -0.99 -1.33 -0.54 0.00 0.00 175.26 172.68 1f2g n MET 24 N 2.12 -0.02 0.00 4.30 2.81 -1.26 -0.03 117.12 125.03 1f2g n MET 24 Ca -0.17 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1f2g n MET 24 Cb 0.54 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 3.33 0.00 0.27 7.83 5.15 0.63 -4.25 115.26 128.23 1f2g n ASN 25 Ca -0.02 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.12 1f2g n ASN 25 Cb 0.62 0.00 0.76 0.00 -0.53 0.00 0.00 39.78 40.62 1f2g n ASN 25 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1f2g h GLU 26 N 0.00 0.00 0.00 1.20 4.81 -1.94 -3.27 114.58 115.38 1f2g h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f2g h GLU 26 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1f2g h GLU 26 CO 0.00 0.08 -0.18 0.39 -0.73 0.00 0.00 179.01 178.57 1f2g n GLU 27 N -3.34 0.00 -1.02 1.92 1.02 -1.26 -4.97 120.64 112.99 1f2g n GLU 27 Ca -0.01 -0.37 -0.01 0.00 -0.02 0.00 0.00 57.16 56.75 1f2g n GLU 27 Cb 0.26 -0.20 -0.00 0.00 -0.02 0.00 0.00 31.44 31.48 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 0.00 0.48 0.16 0.62 0.00 -1.24 -4.87 105.19 100.35 1f2g n GLY 28 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.36 0.62 -3.53 1.61 -0.08 -1.26 -4.67 116.55 109.59 1f2g n ASP 29 Ca -0.01 0.75 -0.08 0.00 -1.51 0.00 0.00 54.79 53.94 1f2g n ASP 29 Cb 0.07 -0.84 -0.02 0.00 2.34 0.00 0.00 41.12 42.67 1f2g n ASP 29 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1f2g s LYS 30 N -3.50 0.81 -0.55 -0.67 2.20 -1.26 -4.84 119.74 111.93 1f2g s LYS 30 Ca -0.01 -0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 55.07 1f2g s LYS 30 Cb 0.07 0.36 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 1f2g s LYS 30 CO 0.26 -0.36 0.81 0.00 -0.36 0.00 0.00 175.35 175.70 1f2g s ALA 31 N -3.07 3.26 0.54 3.13 0.00 -1.26 -0.27 121.76 124.08 1f2g s ALA 31 Ca 0.06 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1f2g s ALA 31 Cb -0.01 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1f2g s ALA 31 CO -0.08 -2.27 1.01 0.08 0.00 0.00 0.00 175.76 174.50 1f2g s VAL 32 N 3.37 4.26 -0.17 0.00 1.01 0.95 -4.83 120.40 125.00 1f2g s VAL 32 Ca 0.23 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 1f2g s VAL 32 Cb -0.16 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1f2g s VAL 32 CO 0.15 -0.61 0.08 -0.69 0.00 0.00 0.00 175.10 174.03 1f2g s VAL 33 N -2.54 4.96 -0.09 2.92 1.01 -1.26 -0.34 120.40 125.05 1f2g s VAL 33 Ca 0.61 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1f2g s VAL 33 Cb -0.12 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 1f2g s VAL 33 CO 0.33 0.50 -0.03 2.30 0.00 0.00 0.00 175.10 178.19 1f2g n ILE 34 N 3.15 0.58 -3.79 2.22 -5.35 0.73 -4.85 119.36 112.05 1f2g n ILE 34 Ca -0.17 -0.29 -0.35 0.00 -0.27 0.00 0.00 62.75 61.67 1f2g n ILE 34 Cb 0.53 -0.83 -0.11 0.00 -1.74 0.00 0.00 39.64 37.49 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 -4.52 4.98 0.00 7.28 3.84 -1.09 -4.93 114.94 120.50 1f2g s ASN 35 Ca -0.09 -2.83 0.00 0.00 0.21 0.00 0.00 52.86 50.15 1f2g s ASN 35 Cb 0.03 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.94 1f2g s ASN 35 CO 0.29 -0.34 0.61 -0.81 -2.79 0.00 0.00 177.10 174.05 1f2g n PRO 36 N 3.47 0.75 0.00 0.43 -0.04 -1.26 -2.77 135.00 135.58 1f2g n PRO 36 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1f2g n PRO 36 Cb 0.37 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.44 0.00 0.00 3.54 2.03 -1.26 -4.06 116.55 117.23 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 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.00 1.67 2.88 -1.11 -4.76 113.62 112.29 1f2g n SER 38 Ca 0.00 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1f2g n SER 38 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1f2g n SER 38 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1f2g n ASP 39 N -2.31 -0.59 -0.68 -3.46 5.75 -1.26 -5.00 116.55 109.00 1f2g n ASP 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1f2g n ASP 39 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1f2g n ASP 39 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1f2g n LEU 40 N 0.00 0.00 -0.02 -2.12 4.77 -1.26 -4.98 117.00 113.39 1f2g n LEU 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f2g n LEU 40 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1f2g n LEU 40 CO 0.00 0.00 0.32 -0.67 -1.33 0.00 0.00 177.39 175.71 1f2g n ASP 41 N 0.00 0.58 -0.03 -1.43 2.03 -1.26 -4.71 116.55 111.73 1f2g n ASP 41 Ca 0.00 -1.34 0.05 0.00 0.52 0.00 0.00 54.79 54.02 1f2g n ASP 41 Cb 0.00 -0.01 -0.15 0.00 -0.72 0.00 0.00 41.12 40.24 1f2g n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f2g h VAL 43 N 0.00 1.19 0.00 0.00 2.07 -1.92 0.15 116.25 117.73 1f2g h VAL 43 Ca -0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1f2g h VAL 43 Cb 1.22 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1f2g h VAL 43 CO 0.01 0.19 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 1f2g h GLU 44 N 1.04 0.00 0.07 1.57 5.08 -1.90 -1.90 114.58 118.54 1f2g h GLU 44 Ca 0.29 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.35 1f2g h GLU 44 Cb -0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1f2g h GLU 44 CO -0.07 0.00 -1.61 0.93 -1.00 0.00 0.00 179.01 177.26 1f2g h GLU 45 N 0.00 0.14 0.00 2.33 4.39 -0.98 -2.18 114.58 118.28 1f2g h GLU 45 Ca 0.00 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 1f2g h GLU 45 Cb 0.26 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1f2g h GLU 45 CO 0.00 0.91 -0.15 0.00 -1.16 0.00 0.00 179.01 178.61 1f2g h ALA 46 N 0.64 1.27 0.00 3.43 0.00 -0.33 0.47 119.26 124.74 1f2g h ALA 46 Ca -0.26 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1f2g h ALA 46 Cb 1.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1f2g h ALA 46 CO 0.12 0.19 -0.77 0.82 0.00 0.00 0.00 179.25 179.61 1f2g h ILE 47 N 0.00 0.56 0.00 0.00 2.04 -1.58 -1.90 117.51 116.64 1f2g h ILE 47 Ca -0.00 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1f2g h ILE 47 Cb 0.41 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1f2g h ILE 47 CO 0.02 0.19 -0.00 -0.78 0.00 0.00 0.00 178.15 177.58 1f2g h ASP 48 N -1.00 0.00 0.42 1.72 1.82 -1.32 0.18 116.42 118.24 1f2g h ASP 48 Ca -0.16 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.35 1f2g h ASP 48 Cb 0.87 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1f2g h ASP 48 CO -0.10 0.00 -1.69 -1.20 -1.61 0.00 0.00 179.24 174.64 1f2g n SER 49 N -3.11 0.45 -4.57 2.28 7.64 0.16 -4.81 113.62 111.67 1f2g n SER 49 Ca -0.03 0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1f2g n SER 49 Cb 0.07 0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 64.11 1f2g n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f2g h PRO 51 N 8.59 0.00 0.00 0.00 0.13 -1.87 -2.62 132.00 136.23 1f2g h PRO 51 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f2g h PRO 51 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1f2g h PRO 51 CO 0.90 0.26 -0.19 0.00 -0.23 0.00 0.00 178.00 178.74 1f2g n ALA 52 N -2.20 2.70 -3.72 -0.56 0.00 -1.26 -4.90 120.51 110.57 1f2g n ALA 52 Ca 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1f2g n ALA 52 Cb 0.52 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1f2g n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f2g n GLU 53 N -1.66 -1.36 0.02 0.00 1.02 -0.99 -4.70 120.64 112.97 1f2g n GLU 53 Ca 0.06 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1f2g n GLU 53 Cb 0.36 -4.29 0.51 0.00 -0.02 0.00 0.00 31.44 28.01 1f2g n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f2g n ALA 54 N -3.34 2.14 -2.65 0.62 0.00 -1.26 -4.68 120.51 111.34 1f2g n ALA 54 Ca 0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1f2g n ALA 54 Cb 0.43 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.03 4.79 0.14 0.00 1.01 -1.26 -4.11 121.20 118.74 1f2g s ILE 55 Ca 0.11 1.66 0.09 0.00 0.00 0.00 0.00 60.65 62.52 1f2g s ILE 55 Cb 0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1f2g s ILE 55 CO 0.47 -0.12 -0.22 0.68 0.00 0.00 0.00 174.94 175.75 1f2g s VAL 56 N 2.95 1.98 -0.66 2.92 -7.23 0.16 -4.96 120.40 115.56 1f2g s VAL 56 Ca 0.37 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1f2g s VAL 56 Cb -0.15 -1.83 0.45 0.00 0.56 0.00 0.00 36.38 35.41 1f2g s VAL 56 CO 0.07 -0.10 2.00 -2.11 -0.31 0.00 0.00 175.10 174.66 1f2g n ARG 57 N 0.71 2.73 0.00 4.82 1.85 -1.22 -1.06 116.66 124.50 1f2g n ARG 57 Ca -0.16 -3.34 0.00 0.00 -1.00 0.00 0.00 57.85 53.35 1f2g n ARG 57 Cb 0.55 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 1f2g n ARG 57 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07