#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 4.06 0.32 0.52 -0.00 -1.26 -1.67 121.20 123.17 1f2g s ILE 2 Ca 0.00 -0.32 0.10 0.00 -0.00 0.00 0.00 60.65 60.42 1f2g s ILE 2 Cb 0.00 -2.74 -0.05 0.00 -0.00 0.00 0.00 42.46 39.67 1f2g s ILE 2 CO 0.00 0.55 -0.03 -0.70 -0.00 0.00 0.00 174.94 174.76 1f2g s GLU 3 N -0.29 2.03 0.12 0.37 2.12 0.02 -4.84 118.70 118.22 1f2g s GLU 3 Ca 0.05 -1.72 0.10 0.00 0.36 0.00 0.00 54.97 53.77 1f2g s GLU 3 Cb -0.12 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1f2g s GLU 3 CO 0.02 0.20 -0.25 0.54 -0.54 0.00 0.00 175.26 175.23 1f2g s VAL 4 N -2.50 2.11 0.14 3.70 0.11 -1.26 -1.38 120.40 121.32 1f2g s VAL 4 Ca 0.33 -1.68 -0.02 0.00 -2.93 0.00 0.00 61.98 57.69 1f2g s VAL 4 Cb -0.02 -1.87 0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1f2g s VAL 4 CO 0.19 0.06 0.19 0.59 -3.33 0.00 0.00 175.10 172.80 1f2g n ASN 5 N 1.01 0.08 -0.04 3.54 4.13 -0.85 -5.01 115.26 118.11 1f2g n ASN 5 Ca -0.18 -1.10 -0.03 0.00 1.68 0.00 0.00 54.58 54.94 1f2g n ASN 5 Cb 0.53 -0.14 -0.09 0.00 -1.54 0.00 0.00 39.78 38.55 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 -3.08 2.31 0.31 6.41 2.03 -1.26 -4.39 116.55 118.88 1f2g n ASP 6 Ca 0.03 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.53 1f2g n ASP 6 Cb 0.09 0.94 1.01 0.00 -0.72 0.00 0.00 41.12 42.44 1f2g n ASP 6 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1f2g h ASP 7 N 0.00 0.00 -3.60 1.67 1.82 -1.99 -3.43 116.42 110.89 1f2g h ASP 7 Ca -0.23 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.84 1f2g h ASP 7 Cb 1.41 0.00 0.17 0.00 0.68 0.00 0.00 39.33 41.59 1f2g h ASP 7 CO 0.01 0.02 0.09 0.00 -1.61 0.00 0.00 179.24 177.75 1f2g n MET 9 N -1.15 0.00 0.00 0.00 1.56 -1.26 -5.06 117.12 111.21 1f2g n MET 9 Ca 0.14 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.57 1f2g n MET 9 Cb 0.48 -0.27 0.00 0.00 2.15 0.00 0.00 33.22 35.58 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 0.17 -5.12 0.00 -1.26 -4.66 120.51 107.25 1f2g n ALA 10 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1f2g n ALA 10 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -3.83 -1.77 -0.03 0.00 0.28 -1.26 -4.81 120.64 109.22 1f2g n GLU 12 Ca -0.01 0.79 -0.13 0.00 -0.16 0.00 0.00 57.16 57.65 1f2g n GLU 12 Cb 0.49 -5.21 -0.09 0.00 1.43 0.00 0.00 31.44 28.06 1f2g n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f2g h ALA 13 N 0.02 0.07 -0.33 -1.84 0.00 -1.95 0.33 119.26 115.56 1f2g h ALA 13 Ca -0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1f2g h ALA 13 Cb 1.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1f2g h ALA 13 CO 0.26 -0.11 0.12 0.00 0.00 0.00 0.00 179.25 179.52 1f2g h VAL 15 N 0.46 1.52 0.00 0.00 2.07 -1.72 0.31 116.25 118.89 1f2g h VAL 15 Ca 0.11 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1f2g h VAL 15 Cb 0.11 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1f2g h VAL 15 CO -0.01 0.73 -0.15 -0.33 0.02 0.00 0.00 177.57 177.83 1f2g h GLU 16 N 0.04 0.00 0.05 1.57 5.08 0.15 -1.84 114.58 119.63 1f2g h GLU 16 Ca -0.02 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.97 1f2g h GLU 16 Cb 1.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1f2g h GLU 16 CO 0.11 0.00 -2.15 1.51 -1.00 0.00 0.00 179.01 177.48 1f2g n ILE 17 N -2.42 1.62 -3.24 3.13 0.00 0.16 -4.80 119.36 113.82 1f2g n ILE 17 Ca 0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 62.75 62.11 1f2g n ILE 17 Cb 0.46 -1.68 -0.07 0.00 0.00 0.00 0.00 39.64 38.35 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 3.46 0.75 -0.00 0.00 -0.04 -0.69 -1.55 135.00 136.94 1f2g n PRO 19 Ca 0.19 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1f2g n PRO 19 Cb 0.48 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.84 0.66 -0.06 3.54 2.03 -1.26 -4.32 116.55 116.30 1f2g n ASP 20 Ca 0.12 -0.61 -0.06 0.00 0.52 0.00 0.00 54.79 54.76 1f2g n ASP 20 Cb 0.06 1.26 -0.08 0.00 -0.72 0.00 0.00 41.12 41.63 1f2g n ASP 20 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1f2g n VAL 21 N -1.77 0.76 -3.95 5.18 0.31 -0.80 -3.52 118.33 114.54 1f2g n VAL 21 Ca 0.01 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.69 1f2g n VAL 21 Cb 0.41 -0.75 -0.17 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.27 0.69 0.23 3.52 0.08 -0.59 -1.50 117.98 118.14 1f2g s PHE 22 Ca -0.08 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.87 1f2g s PHE 22 Cb 0.03 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1f2g s PHE 22 CO 0.43 -0.26 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.18 1f2g s GLU 23 N 1.43 1.42 0.33 0.44 2.12 0.15 -4.16 118.70 120.42 1f2g s GLU 23 Ca -0.03 -1.67 -0.27 0.00 0.36 0.00 0.00 54.97 53.37 1f2g s GLU 23 Cb -0.13 -1.15 -0.09 0.00 0.26 0.00 0.00 34.13 33.01 1f2g s GLU 23 CO -0.03 0.14 1.01 -1.64 -0.54 0.00 0.00 175.26 174.20 1f2g s MET 24 N -3.67 4.50 0.00 4.30 -1.94 -1.26 0.13 119.30 121.36 1f2g s MET 24 Ca 0.25 1.51 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 1f2g s MET 24 Cb 0.01 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.98 1f2g s MET 24 CO 0.09 0.16 0.00 0.27 -0.01 0.00 0.00 175.02 175.53 1f2g n ASN 25 N 0.63 0.00 0.15 3.03 6.94 0.19 -4.71 115.26 121.50 1f2g n ASN 25 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.45 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 -0.39 0.00 -3.83 4.81 -1.97 -2.77 114.58 110.42 1f2g h GLU 26 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1f2g h GLU 26 Cb 0.00 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1f2g h GLU 26 CO 0.00 -0.07 0.00 0.39 -0.73 0.00 0.00 179.01 178.60 1f2g n GLU 27 N -5.13 0.88 -2.41 1.92 1.02 -1.26 -4.85 120.64 110.81 1f2g n GLU 27 Ca -0.09 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 1f2g n GLU 27 Cb 0.26 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.73 -0.49 0.01 0.62 0.00 -1.05 -4.80 105.19 100.22 1f2g n GLY 28 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.94 0.21 -4.05 1.61 2.03 -1.26 -4.77 116.55 108.38 1f2g n ASP 29 Ca -0.21 -0.61 -0.32 0.00 0.52 0.00 0.00 54.79 54.17 1f2g n ASP 29 Cb 0.66 0.93 -0.15 0.00 -0.72 0.00 0.00 41.12 41.84 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 -1.19 2.24 -0.60 -0.67 2.20 -1.26 -4.51 119.74 115.95 1f2g s LYS 30 Ca 0.01 -1.18 -0.26 0.00 -0.36 0.00 0.00 55.97 54.18 1f2g s LYS 30 Cb 0.02 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1f2g s LYS 30 CO 0.11 -0.51 1.95 0.00 -0.36 0.00 0.00 175.35 176.54 1f2g s ALA 31 N 1.19 2.06 0.59 3.13 0.00 -1.26 0.57 121.76 128.03 1f2g s ALA 31 Ca -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1f2g s ALA 31 Cb -0.19 -4.32 0.03 0.00 0.00 0.00 0.00 23.12 18.65 1f2g s ALA 31 CO -0.07 -4.03 0.84 0.08 0.00 0.00 0.00 175.76 172.59 1f2g s VAL 32 N 9.64 2.82 0.09 0.00 1.01 0.34 -4.83 120.40 129.48 1f2g s VAL 32 Ca 0.72 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1f2g s VAL 32 Cb -0.13 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1f2g s VAL 32 CO 0.21 -0.09 0.32 -0.69 0.00 0.00 0.00 175.10 174.85 1f2g s VAL 33 N -2.90 5.23 0.00 2.92 1.01 -1.26 -0.68 120.40 124.73 1f2g s VAL 33 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1f2g s VAL 33 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1f2g s VAL 33 CO 0.41 0.14 0.00 2.30 0.00 0.00 0.00 175.10 177.95 1f2g n ILE 34 N 0.39 0.00 -3.76 2.22 -5.35 -0.56 -4.76 119.36 107.54 1f2g n ILE 34 Ca -0.05 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.08 1f2g n ILE 34 Cb 0.52 -0.54 -0.10 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.79 5.14 0.00 7.28 3.84 -1.11 -4.94 114.94 122.36 1f2g s ASN 35 Ca 0.00 -3.06 -0.00 0.00 0.21 0.00 0.00 52.86 50.01 1f2g s ASN 35 Cb 0.00 -1.81 -0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1f2g s ASN 35 CO 0.00 -0.30 1.52 -0.81 -2.79 0.00 0.00 177.10 174.72 1f2g n PRO 36 N 3.17 0.76 0.00 0.43 -0.04 -1.26 -2.43 135.00 135.63 1f2g n PRO 36 Ca 0.10 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 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 1.63 0.00 0.00 3.54 2.03 -1.26 -4.13 116.55 118.36 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 -4.19 1.67 2.88 -1.02 -4.82 113.62 108.14 1f2g n SER 38 Ca 0.00 0.32 -0.35 0.00 -1.33 0.00 0.00 58.87 57.51 1f2g n SER 38 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.34 -3.16 -1.03 -3.46 2.03 -1.26 -4.81 116.55 104.52 1f2g n ASP 39 Ca 0.00 -1.00 -0.01 0.00 0.52 0.00 0.00 54.79 54.30 1f2g n ASP 39 Cb 0.00 -2.84 0.21 0.00 -0.72 0.00 0.00 41.12 37.77 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 -4.41 3.91 0.00 -2.67 -0.00 -1.26 -4.92 117.00 107.66 1f2g n LEU 40 Ca 0.04 -3.63 0.00 0.00 -0.00 0.00 0.00 56.01 52.42 1f2g n LEU 40 Cb 0.51 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1f2g n LEU 40 CO 0.85 1.15 0.00 -0.67 -0.00 0.00 0.00 177.39 178.71 1f2g n ASP 41 N -1.04 0.00 -0.30 1.45 2.03 -1.26 -4.75 116.55 112.68 1f2g n ASP 41 Ca 0.30 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.85 1f2g n ASP 41 Cb 0.97 0.00 0.57 0.00 -0.72 0.00 0.00 41.12 41.94 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 0.30 1.31 -0.28 0.00 2.07 -1.95 1.80 116.25 119.50 1f2g h VAL 43 Ca 0.55 -1.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.36 1f2g h VAL 43 Cb 1.58 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1f2g h VAL 43 CO -0.20 0.48 -0.48 -0.08 0.02 0.00 0.00 177.57 177.30 1f2g h GLU 44 N 0.34 0.74 0.00 1.57 4.81 0.19 -0.17 114.58 122.06 1f2g h GLU 44 Ca 0.03 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 1f2g h GLU 44 Cb 0.86 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1f2g h GLU 44 CO 0.07 1.06 -1.03 1.05 -0.73 0.00 0.00 179.01 179.42 1f2g h GLU 45 N 0.59 0.00 0.00 1.92 4.11 -0.53 -2.18 114.58 118.49 1f2g h GLU 45 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1f2g h GLU 45 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1f2g h GLU 45 CO 0.10 0.24 -0.20 0.00 0.07 0.00 0.00 179.01 179.22 1f2g h ALA 46 N 1.62 0.88 0.02 1.06 0.00 0.28 -1.81 119.26 121.31 1f2g h ALA 46 Ca -0.08 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1f2g h ALA 46 Cb 1.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1f2g h ALA 46 CO 0.04 0.25 -1.45 -0.89 0.00 0.00 0.00 179.25 177.19 1f2g n ILE 47 N -3.17 1.57 -0.31 0.00 5.41 -0.08 -2.98 119.36 119.80 1f2g n ILE 47 Ca 0.03 -0.14 0.01 0.00 1.00 0.00 0.00 62.75 63.64 1f2g n ILE 47 Cb 0.58 -1.98 0.20 0.00 -0.71 0.00 0.00 39.64 37.73 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 -0.83 0.99 1.40 4.38 1.82 -1.48 0.15 116.42 122.85 1f2g h ASP 48 Ca -0.38 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1f2g h ASP 48 Cb 1.44 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1f2g h ASP 48 CO -0.18 0.68 0.00 0.77 -1.61 0.00 0.00 179.24 178.90 1f2g h SER 49 N 1.15 0.00 -3.55 2.28 4.64 -1.49 -3.41 113.55 113.16 1f2g h SER 49 Ca 0.36 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.06 1f2g h SER 49 Cb -0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.97 1f2g h SER 49 CO -0.10 0.00 0.40 0.00 -0.87 0.00 0.00 176.83 176.26 1f2g h PRO 51 N 8.61 0.11 -0.00 0.00 0.13 -1.81 -2.82 132.00 136.23 1f2g h PRO 51 Ca -0.25 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1f2g h PRO 51 Cb 1.09 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1f2g h PRO 51 CO 0.93 0.84 -0.14 0.00 -0.23 0.00 0.00 178.00 179.40 1f2g n ALA 52 N -2.43 2.78 -3.81 -0.56 0.00 -1.26 -4.91 120.51 110.31 1f2g n ALA 52 Ca -0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 1f2g n ALA 52 Cb 0.74 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.18 -0.89 0.04 0.00 0.28 -1.07 -4.71 120.64 113.10 1f2g n GLU 53 Ca 0.11 0.08 0.14 0.00 -0.16 0.00 0.00 57.16 57.33 1f2g n GLU 53 Cb 0.30 -2.97 0.54 0.00 1.43 0.00 0.00 31.44 30.75 1f2g n GLU 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f2g n ALA 54 N -3.46 2.31 -2.56 -1.84 0.00 -1.26 -4.65 120.51 109.04 1f2g n ALA 54 Ca -0.12 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1f2g n ALA 54 Cb 0.45 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 4.68 0.39 0.00 1.01 -1.26 -2.01 121.20 120.98 1f2g s ILE 55 Ca 0.13 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1f2g s ILE 55 Cb 0.17 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1f2g s ILE 55 CO 0.55 -0.58 0.05 0.68 0.00 0.00 0.00 174.94 175.64 1f2g s VAL 56 N 3.21 2.20 -0.78 2.92 -7.23 -0.48 -4.92 120.40 115.32 1f2g s VAL 56 Ca 0.31 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1f2g s VAL 56 Cb -0.13 -2.94 0.36 0.00 0.56 0.00 0.00 36.38 34.24 1f2g s VAL 56 CO 0.20 -0.05 1.79 0.54 -0.31 0.00 0.00 175.10 177.27 1f2g n ARG 57 N -1.03 3.22 0.00 4.82 1.74 -1.26 -0.80 116.66 123.35 1f2g n ARG 57 Ca -0.04 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.14 1f2g n ARG 57 Cb 0.65 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1f2g n ARG 57 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56