#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 0.00 -3.68 0.52 -0.00 -1.26 -3.85 119.36 111.09 1f2g n ILE 2 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.64 1f2g n ILE 2 Cb 0.00 -0.52 -0.06 0.00 -0.00 0.00 0.00 39.64 39.06 1f2g n ILE 2 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1f2g s GLU 3 N -3.62 0.95 0.00 6.28 2.56 0.32 -4.67 118.70 120.51 1f2g s GLU 3 Ca 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 54.97 54.78 1f2g s GLU 3 Cb -0.06 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.48 1f2g s GLU 3 CO 0.30 -0.34 0.00 1.55 -0.56 0.00 0.00 175.26 176.21 1f2g n VAL 4 N 0.23 0.00 -2.90 3.70 3.14 -1.26 -1.21 118.33 120.03 1f2g n VAL 4 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1f2g n VAL 4 Cb 0.61 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 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 -2.11 0.00 -0.00 6.55 4.13 -1.26 -4.10 115.26 118.48 1f2g n ASN 5 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1f2g n ASN 5 Cb 0.09 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.28 1f2g n ASN 5 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1f2g n ASP 6 N 0.59 1.06 0.29 6.41 5.68 -1.26 -4.41 116.55 124.91 1f2g n ASP 6 Ca 0.00 -0.52 0.18 0.00 -0.50 0.00 0.00 54.79 53.95 1f2g n ASP 6 Cb 0.00 1.10 0.81 0.00 -1.14 0.00 0.00 41.12 41.89 1f2g n ASP 6 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1f2g h ASP 7 N 0.00 0.00 -3.58 -1.12 5.19 -1.96 -3.44 116.42 111.52 1f2g h ASP 7 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1f2g h ASP 7 Cb 0.26 0.00 0.21 0.00 0.18 0.00 0.00 39.33 39.98 1f2g h ASP 7 CO 0.00 0.01 -0.26 0.00 -3.12 0.00 0.00 179.24 175.87 1f2g n MET 9 N -3.16 0.00 0.00 0.00 2.81 -1.26 -5.05 117.12 110.46 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 -3.00 0.00 -0.04 3.04 0.00 -1.26 -4.72 120.51 114.53 1f2g n ALA 10 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1f2g n ALA 10 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -4.03 -0.03 -0.00 0.00 2.13 -1.26 -4.93 120.64 112.51 1f2g n GLU 12 Ca -0.07 0.32 -0.13 0.00 0.66 0.00 0.00 57.16 57.95 1f2g n GLU 12 Cb 0.67 -3.65 -0.10 0.00 0.27 0.00 0.00 31.44 28.63 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 -0.02 -0.07 4.31 0.00 -1.94 0.30 119.26 121.84 1f2g h ALA 13 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1f2g h ALA 13 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1f2g h ALA 13 CO 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 1f2g h VAL 15 N 0.10 1.40 0.00 0.00 2.07 -1.68 0.36 116.25 118.49 1f2g h VAL 15 Ca 0.02 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1f2g h VAL 15 Cb 0.24 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1f2g h VAL 15 CO 0.01 0.66 0.00 -0.08 0.02 0.00 0.00 177.57 178.18 1f2g h GLU 16 N 0.23 0.00 0.10 1.57 4.81 0.11 0.12 114.58 121.52 1f2g h GLU 16 Ca -0.03 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.84 1f2g h GLU 16 Cb 1.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1f2g h GLU 16 CO 0.12 0.00 -2.02 1.51 -0.73 0.00 0.00 179.01 177.90 1f2g n ILE 17 N -3.00 1.73 -3.12 2.32 0.00 0.79 -4.72 119.36 113.36 1f2g n ILE 17 Ca 0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 62.75 61.94 1f2g n ILE 17 Cb 0.48 -1.59 -0.05 0.00 0.00 0.00 0.00 39.64 38.48 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 2.73 0.75 0.01 0.00 -0.04 0.42 -1.07 135.00 137.78 1f2g n PRO 19 Ca 0.24 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1f2g n PRO 19 Cb 0.52 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 1f2g n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f2g n ASP 20 N -0.80 0.52 -0.02 3.54 -0.08 -1.26 -4.30 116.55 114.16 1f2g n ASP 20 Ca 0.11 -0.39 -0.00 0.00 -1.51 0.00 0.00 54.79 53.00 1f2g n ASP 20 Cb 0.05 1.29 -0.05 0.00 2.34 0.00 0.00 41.12 44.75 1f2g n ASP 20 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1f2g n VAL 21 N -1.93 0.24 -3.71 5.18 0.31 -0.82 -3.83 118.33 113.77 1f2g n VAL 21 Ca 0.00 -0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 63.93 1f2g n VAL 21 Cb 0.45 -0.30 -0.18 0.00 -0.91 0.00 0.00 33.84 32.90 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 -2.30 0.11 0.01 3.52 0.08 -0.24 -1.58 117.98 117.59 1f2g s PHE 22 Ca -0.03 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.23 1f2g s PHE 22 Cb 0.03 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 1f2g s PHE 22 CO 0.27 -0.18 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.17 1f2g s GLU 23 N 1.91 0.33 0.63 0.44 2.12 -0.06 -3.96 118.70 120.11 1f2g s GLU 23 Ca 0.02 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 1f2g s GLU 23 Cb -0.12 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 1f2g s GLU 23 CO -0.03 0.03 0.95 -1.33 -0.54 0.00 0.00 175.26 174.34 1f2g n MET 24 N 2.27 0.80 0.00 4.30 2.81 -1.26 -0.20 117.12 125.84 1f2g n MET 24 Ca -0.18 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1f2g n MET 24 Cb 0.57 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 1f2g n MET 24 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1f2g n ASN 25 N -0.94 0.00 0.07 7.83 6.94 0.60 -4.62 115.26 125.14 1f2g n ASN 25 Ca 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.58 1f2g n ASN 25 Cb 0.48 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 1f2g n ASN 25 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1f2g h GLU 26 N 0.00 -0.21 0.00 -3.83 4.81 -1.95 -2.93 114.58 110.48 1f2g h GLU 26 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1f2g h GLU 26 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1f2g h GLU 26 CO 0.00 0.20 0.00 0.39 -0.73 0.00 0.00 179.01 178.87 1f2g n GLU 27 N -4.97 0.33 -2.86 1.92 -0.58 -1.26 -4.86 120.64 108.36 1f2g n GLU 27 Ca -0.09 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.52 1f2g n GLU 27 Cb 0.26 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1f2g n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f2g n GLY 28 N 0.50 -0.46 0.00 0.62 0.00 -1.11 -4.84 105.19 99.90 1f2g n GLY 28 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.22 0.64 -3.85 1.61 -0.08 -1.26 -4.81 116.55 106.58 1f2g n ASP 29 Ca -0.14 -0.85 -0.24 0.00 -1.51 0.00 0.00 54.79 52.05 1f2g n ASP 29 Cb 0.63 0.23 -0.17 0.00 2.34 0.00 0.00 41.12 44.15 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 -0.23 1.03 -0.64 -0.67 2.47 -1.26 -4.66 119.74 115.78 1f2g s LYS 30 Ca 0.00 -0.08 -0.27 0.00 -1.56 0.00 0.00 55.97 54.06 1f2g s LYS 30 Cb 0.00 -1.21 0.00 0.00 -1.46 0.00 0.00 37.83 35.16 1f2g s LYS 30 CO 0.00 -0.25 1.61 0.00 0.16 0.00 0.00 175.35 176.88 1f2g s ALA 31 N 1.68 2.46 0.50 3.13 0.00 -1.26 0.22 121.76 128.49 1f2g s ALA 31 Ca 0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1f2g s ALA 31 Cb -0.13 -4.26 0.01 0.00 0.00 0.00 0.00 23.12 18.75 1f2g s ALA 31 CO -0.05 -3.54 0.74 0.08 0.00 0.00 0.00 175.76 172.98 1f2g s VAL 32 N 7.55 3.57 0.00 0.00 1.01 0.72 -4.89 120.40 128.36 1f2g s VAL 32 Ca 0.55 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1f2g s VAL 32 Cb -0.11 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1f2g s VAL 32 CO 0.20 -0.26 0.27 -0.69 0.00 0.00 0.00 175.10 174.62 1f2g s VAL 33 N -2.68 5.30 -0.04 2.92 1.01 -1.26 -0.88 120.40 124.76 1f2g s VAL 33 Ca 0.52 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1f2g s VAL 33 Cb -0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1f2g s VAL 33 CO 0.39 0.38 0.01 -0.38 0.00 0.00 0.00 175.10 175.49 1f2g n ILE 34 N 1.16 0.27 -3.80 2.22 5.41 -0.61 -4.82 119.36 119.19 1f2g n ILE 34 Ca -0.12 -0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.18 1f2g n ILE 34 Cb 0.53 -0.86 -0.10 0.00 -0.71 0.00 0.00 39.64 38.49 1f2g n ILE 34 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1f2g n ASN 35 N -2.22 3.37 -1.53 4.38 2.85 -1.20 -4.93 115.26 115.99 1f2g n ASN 35 Ca -0.07 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.18 1f2g n ASN 35 Cb 0.62 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.83 1f2g n ASN 35 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1f2g n PRO 36 N 1.91 0.75 0.00 1.20 -0.04 -1.26 -2.68 135.00 134.88 1f2g n PRO 36 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1f2g n PRO 36 Cb 0.36 -1.13 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 1.46 0.00 -3.28 3.54 2.03 -1.26 -4.55 116.55 114.50 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 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.59 -1.17 1.67 2.88 -1.09 -5.03 113.62 110.29 1f2g n SER 38 Ca 0.00 -0.13 -0.02 0.00 -1.33 0.00 0.00 58.87 57.39 1f2g n SER 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.27 -0.50 -3.62 -3.46 2.03 -1.26 -5.14 116.55 103.34 1f2g n ASP 39 Ca 0.00 -1.09 -0.16 0.00 0.52 0.00 0.00 54.79 54.06 1f2g n ASP 39 Cb 0.00 0.19 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 1f2g n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f2g n LEU 40 N -0.24 0.00 0.00 -2.67 -0.00 -1.26 -5.04 117.00 107.79 1f2g n LEU 40 Ca -0.10 -1.73 0.11 0.00 -0.00 0.00 0.00 56.01 54.29 1f2g n LEU 40 Cb 0.52 0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 43.86 1f2g n LEU 40 CO -0.06 -0.39 -0.53 -0.67 -0.00 0.00 0.00 177.39 175.74 1f2g n ASP 41 N -1.67 0.27 -0.58 1.45 -0.08 -1.26 -4.22 116.55 110.46 1f2g n ASP 41 Ca -0.05 -0.14 0.47 0.00 -1.51 0.00 0.00 54.79 53.56 1f2g n ASP 41 Cb 0.37 1.63 0.79 0.00 2.34 0.00 0.00 41.12 46.25 1f2g n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f2g h VAL 43 N 0.01 0.91 -0.76 0.00 2.07 -1.97 0.54 116.25 117.06 1f2g h VAL 43 Ca 0.82 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 68.18 1f2g h VAL 43 Cb 3.24 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 34.00 1f2g h VAL 43 CO -0.05 0.06 0.42 -0.33 0.02 0.00 0.00 177.57 177.69 1f2g h GLU 44 N -0.32 0.70 -0.01 1.57 5.08 0.20 0.52 114.58 122.32 1f2g h GLU 44 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1f2g h GLU 44 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1f2g h GLU 44 CO 0.03 0.46 0.00 -0.85 -1.00 0.00 0.00 179.01 177.66 1f2g n GLU 45 N -4.78 1.20 -0.01 2.33 0.28 -0.75 -1.56 120.64 117.36 1f2g n GLU 45 Ca 0.12 -0.30 0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1f2g n GLU 45 Cb 0.25 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.49 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 -0.63 2.68 -0.09 -1.84 0.00 0.19 -3.80 120.51 117.02 1f2g n ALA 46 Ca 0.22 -0.44 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1f2g n ALA 46 Cb 0.18 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.14 1.58 0.13 0.00 -0.00 0.12 -3.61 119.36 115.44 1f2g n ILE 47 Ca -0.03 -0.59 0.02 0.00 -0.00 0.00 0.00 62.75 62.14 1f2g n ILE 47 Cb 0.48 -1.52 0.36 0.00 -0.00 0.00 0.00 39.64 38.96 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 0.01 0.19 0.68 4.38 1.82 -1.51 -0.49 116.42 121.50 1f2g h ASP 48 Ca -0.53 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1f2g h ASP 48 Cb 1.94 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1f2g h ASP 48 CO -0.04 0.42 -0.10 -1.20 -1.61 0.00 0.00 179.24 176.71 1f2g n SER 49 N -4.21 0.19 -4.57 2.28 7.64 -1.25 -4.70 113.62 109.00 1f2g n SER 49 Ca -0.01 -0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1f2g n SER 49 Cb 0.32 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 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 8.65 0.20 -0.00 0.00 0.13 -1.84 -2.86 132.00 136.28 1f2g h PRO 51 Ca -0.25 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1f2g h PRO 51 Cb 1.09 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1f2g h PRO 51 CO 0.92 0.90 -0.18 0.00 -0.23 0.00 0.00 178.00 179.40 1f2g n ALA 52 N -2.46 2.85 -3.78 -0.56 0.00 -1.26 -4.91 120.51 110.39 1f2g n ALA 52 Ca -0.03 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 1f2g n ALA 52 Cb 0.75 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.20 -0.89 0.18 0.00 -0.58 -1.08 -4.73 120.64 112.35 1f2g n GLU 53 Ca 0.11 0.08 0.08 0.00 -0.42 0.00 0.00 57.16 57.01 1f2g n GLU 53 Cb 0.31 -2.94 0.10 0.00 -0.57 0.00 0.00 31.44 28.34 1f2g n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1f2g h ALA 54 N 1.15 0.85 -2.71 0.62 0.00 -1.88 -3.44 119.26 113.85 1f2g h ALA 54 Ca -0.46 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 1f2g h ALA 54 Cb 1.01 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1f2g h ALA 54 CO 0.57 0.24 -0.00 0.42 0.00 0.00 0.00 179.25 180.48 1f2g s ILE 55 N -3.12 4.71 0.29 0.00 1.01 -1.26 -4.20 121.20 118.62 1f2g s ILE 55 Ca 0.05 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.05 1f2g s ILE 55 Cb 0.06 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1f2g s ILE 55 CO 0.71 0.53 0.27 1.33 0.00 0.00 0.00 174.94 177.78 1f2g n VAL 56 N 1.82 0.00 -2.32 2.92 0.24 -0.35 -4.95 118.33 115.69 1f2g n VAL 56 Ca -0.09 -1.99 -0.27 0.00 -2.04 0.00 0.00 64.34 59.94 1f2g n VAL 56 Cb 0.50 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 1f2g n VAL 56 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1f2g n ARG 57 N -0.53 3.42 0.00 7.34 0.63 -1.26 -0.52 116.66 125.74 1f2g n ARG 57 Ca 0.06 -4.36 0.00 0.00 -0.92 0.00 0.00 57.85 52.63 1f2g n ARG 57 Cb 0.52 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.17 1f2g n ARG 57 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57