#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i02 s LYS 2 N 0.00 0.97 0.22 1.96 0.00 -1.26 0.14 119.74 121.77 1i02 s LYS 2 Ca 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 55.97 54.64 1i02 s LYS 2 Cb 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 37.83 37.27 1i02 s LYS 2 CO 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 175.35 175.36 1i02 n ASN 4 N -0.41 1.05 -4.88 0.00 3.02 -1.26 0.18 115.26 112.97 1i02 n ASN 4 Ca -0.06 0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 55.06 1i02 n ASN 4 Cb 0.63 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.36 1i02 n ASN 4 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i02 s LYS 5 N -2.49 3.74 0.35 3.52 -0.14 -0.21 -4.02 119.74 120.50 1i02 s LYS 5 Ca 0.71 0.15 0.24 0.00 -1.36 0.00 0.00 55.97 55.71 1i02 s LYS 5 Cb -0.46 -2.80 1.22 0.00 -1.68 0.00 0.00 37.83 34.11 1i02 s LYS 5 CO 0.51 0.42 1.32 -0.11 -0.76 0.00 0.00 175.35 176.73 1i02 n LEU 6 N 0.20 0.21 -4.76 3.17 0.00 -1.23 -3.98 117.00 110.61 1i02 n LEU 6 Ca -0.02 1.23 -0.39 0.00 0.00 0.00 0.00 56.01 56.83 1i02 n LEU 6 Cb 0.52 -0.61 -0.06 0.00 0.00 0.00 0.00 43.42 43.28 1i02 n LEU 6 CO 0.46 -1.36 0.28 -0.69 0.00 0.00 0.00 177.39 176.08 1i02 s VAL 7 N -5.07 4.94 0.00 1.96 1.01 -1.26 -4.94 120.40 117.04 1i02 s VAL 7 Ca -0.07 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1i02 s VAL 7 Cb 0.27 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1i02 s VAL 7 CO 0.68 0.41 1.90 -0.81 0.00 0.00 0.00 175.10 177.28 1i02 n PRO 8 N 2.80 0.93 0.00 2.72 -0.05 -1.26 -3.25 135.00 136.90 1i02 n PRO 8 Ca -0.07 -0.41 0.00 0.00 -0.05 0.00 0.00 63.50 62.97 1i02 n PRO 8 Cb 0.51 -1.65 0.00 0.00 -0.05 0.00 0.00 33.50 32.31 1i02 n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 1i02 n LEU 9 N 2.52 0.26 0.00 1.53 0.00 -1.26 -5.10 117.00 114.95 1i02 n LEU 9 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.17 1i02 n LEU 9 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.85 1i02 n LEU 9 CO 0.14 -0.17 -0.01 2.22 0.00 0.00 0.00 177.39 179.57 1i02 n PHE 10 N -2.17 -0.42 -3.75 1.96 -1.74 -1.20 -5.02 117.46 105.11 1i02 n PHE 10 Ca 0.00 -0.10 -0.10 0.00 -0.56 0.00 0.00 57.45 56.69 1i02 n PHE 10 Cb 0.09 -0.01 -0.06 0.00 1.52 0.00 0.00 39.48 41.01 1i02 n PHE 10 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 1i02 s TYR 11 N -0.78 -0.05 0.41 2.97 1.13 -1.26 -1.05 117.35 118.73 1i02 s TYR 11 Ca 0.00 -0.23 0.06 0.00 -1.41 0.00 0.00 57.07 55.49 1i02 s TYR 11 Cb -0.00 0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1i02 s TYR 11 CO 0.00 -0.57 0.57 0.21 -2.51 0.00 0.00 175.55 173.25 1i02 s LYS 12 N -3.34 2.90 0.27 -3.49 2.47 0.48 -4.67 119.74 114.37 1i02 s LYS 12 Ca 0.01 -1.05 0.07 0.00 -1.56 0.00 0.00 55.97 53.43 1i02 s LYS 12 Cb 0.02 -2.73 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 1i02 s LYS 12 CO -0.08 -0.23 0.28 0.99 0.16 0.00 0.00 175.35 176.47 1i02 s THR 13 N -2.37 4.44 0.02 3.43 2.01 -1.26 0.13 115.64 122.04 1i02 s THR 13 Ca 0.52 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1i02 s THR 13 Cb -0.10 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1i02 s THR 13 CO 0.34 -0.30 -0.10 0.00 -0.69 0.00 0.00 174.62 173.87 1i02 s PRO 15 N -0.78 -0.64 0.18 0.00 0.04 -1.26 -4.18 135.00 128.36 1i02 s PRO 15 Ca 0.00 0.79 -0.32 0.00 0.04 0.00 0.00 61.00 61.52 1i02 s PRO 15 Cb -0.06 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.78 1i02 s PRO 15 CO 0.00 -3.53 1.64 0.00 0.04 0.00 0.00 177.00 175.16 1i02 s ALA 16 N -2.56 3.85 0.00 8.56 0.00 -1.26 -1.83 121.76 128.52 1i02 s ALA 16 Ca 0.68 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1i02 s ALA 16 Cb -0.24 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1i02 s ALA 16 CO 0.63 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1i02 n GLY 17 N 3.86 3.31 3.35 0.00 0.00 -1.26 -5.01 105.19 109.44 1i02 n GLY 17 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1i02 n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i02 s LYS 18 N -0.78 3.25 0.00 1.61 2.47 -0.76 -4.80 119.74 120.72 1i02 s LYS 18 Ca 0.00 -1.83 0.08 0.00 -1.56 0.00 0.00 55.97 52.66 1i02 s LYS 18 Cb 0.00 -4.39 0.19 0.00 -1.46 0.00 0.00 37.83 32.18 1i02 s LYS 18 CO 0.00 -1.42 1.11 0.27 0.16 0.00 0.00 175.35 175.47 1i02 n ASN 19 N 5.30 2.49 -4.60 1.43 0.23 -1.25 -4.57 115.26 114.28 1i02 n ASN 19 Ca -0.01 -1.88 -0.41 0.00 -0.53 0.00 0.00 54.58 51.75 1i02 n ASN 19 Cb 0.44 -0.14 -0.07 0.00 -2.08 0.00 0.00 39.78 37.93 1i02 n ASN 19 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1i02 s LEU 20 N -0.94 4.12 -0.33 -4.53 2.96 -0.44 -0.38 118.68 119.15 1i02 s LEU 20 Ca 0.15 0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 54.30 1i02 s LEU 20 Cb 0.08 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 1i02 s LEU 20 CO 0.11 -0.41 0.67 0.00 -1.32 0.00 0.00 176.35 175.41 1i02 s TYR 22 N 2.76 3.50 -0.13 0.00 1.13 -0.64 -2.52 117.35 121.45 1i02 s TYR 22 Ca 0.27 0.51 -0.03 0.00 -1.41 0.00 0.00 57.07 56.41 1i02 s TYR 22 Cb -0.14 -1.97 0.04 0.00 -1.10 0.00 0.00 41.96 38.80 1i02 s TYR 22 CO 0.14 0.49 0.04 0.21 -2.51 0.00 0.00 175.55 173.92 1i02 s LYS 23 N -2.48 0.41 -0.24 -3.49 2.20 0.12 0.30 119.74 116.55 1i02 s LYS 23 Ca 0.38 -0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.83 1i02 s LYS 23 Cb -0.13 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 34.71 1i02 s LYS 23 CO 0.24 -0.49 0.14 1.41 -0.36 0.00 0.00 175.35 176.29 1i02 s MET 24 N 2.00 3.98 0.26 4.03 -2.45 0.22 -0.73 119.30 126.61 1i02 s MET 24 Ca 0.03 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.05 1i02 s MET 24 Cb -0.14 -3.50 -0.01 0.00 1.25 0.00 0.00 34.83 32.43 1i02 s MET 24 CO -0.07 -0.00 0.45 -0.59 1.05 0.00 0.00 175.02 175.86 1i02 s PHE 25 N 1.21 0.54 -0.28 4.11 -0.71 -0.89 -2.05 117.98 119.91 1i02 s PHE 25 Ca 0.07 -0.88 -0.20 0.00 -1.04 0.00 0.00 56.93 54.88 1i02 s PHE 25 Cb -0.14 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1i02 s PHE 25 CO 0.05 -1.00 0.63 -1.64 -1.34 0.00 0.00 175.22 171.93 1i02 s MET 26 N -3.84 4.00 0.26 1.99 -1.94 -1.26 -1.90 119.30 116.61 1i02 s MET 26 Ca 0.25 0.42 0.20 0.00 -1.71 0.00 0.00 55.69 54.85 1i02 s MET 26 Cb 0.00 -3.69 0.87 0.00 2.01 0.00 0.00 34.83 34.02 1i02 s MET 26 CO 0.11 -0.50 0.89 0.28 -0.01 0.00 0.00 175.02 175.79 1i02 n VAL 27 N 5.30 -0.13 -0.11 -6.03 0.31 -1.26 0.25 118.33 116.67 1i02 n VAL 27 Ca -0.01 1.00 0.11 0.00 -0.01 0.00 0.00 64.34 65.44 1i02 n VAL 27 Cb 0.49 -1.65 0.48 0.00 -0.91 0.00 0.00 33.84 32.25 1i02 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i02 h ALA 28 N 0.86 1.97 -3.16 3.52 0.00 -1.91 -3.31 119.26 117.24 1i02 h ALA 28 Ca 0.51 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.71 1i02 h ALA 28 Cb 1.68 -0.10 -0.35 0.00 0.00 0.00 0.00 17.79 19.02 1i02 h ALA 28 CO -0.23 -0.11 -0.50 0.95 0.00 0.00 0.00 179.25 179.36 1i02 s THR 29 N -5.44 3.39 0.00 0.00 -4.23 0.68 -4.97 115.64 105.07 1i02 s THR 29 Ca -0.08 -2.35 -0.23 0.00 -1.18 0.00 0.00 61.69 57.85 1i02 s THR 29 Cb 0.20 -3.29 -0.13 0.00 1.34 0.00 0.00 72.50 70.62 1i02 s THR 29 CO 0.75 -0.75 0.99 1.55 -0.54 0.00 0.00 174.62 176.63 1i02 h PRO 30 N 7.72 -0.81 -0.94 3.99 0.14 -1.77 -3.32 132.00 137.01 1i02 h PRO 30 Ca -0.10 0.06 -0.30 0.00 0.14 0.00 0.00 66.00 65.80 1i02 h PRO 30 Cb 1.02 0.18 -0.18 0.00 0.14 0.00 0.00 31.00 32.16 1i02 h PRO 30 CO 0.70 -0.54 0.38 1.17 0.14 0.00 0.00 178.00 179.85 1i02 n LYS 31 N -5.22 2.31 -2.95 0.86 4.81 -1.26 -4.42 118.16 112.29 1i02 n LYS 31 Ca -0.10 -2.22 -0.15 0.00 -0.87 0.00 0.00 58.31 54.97 1i02 n LYS 31 Cb 0.33 -1.90 -0.01 0.00 0.02 0.00 0.00 35.03 33.48 1i02 n LYS 31 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1i02 n VAL 32 N -0.47 0.48 -0.83 3.15 0.31 -1.25 -5.11 118.33 114.62 1i02 n VAL 32 Ca 0.39 -4.01 -0.30 0.00 -0.01 0.00 0.00 64.34 60.41 1i02 n VAL 32 Cb 1.28 0.05 0.18 0.00 -0.91 0.00 0.00 33.84 34.44 1i02 n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1i02 s PRO 33 N -2.78 0.53 -0.14 5.55 0.05 -1.26 -4.89 135.00 132.06 1i02 s PRO 33 Ca 0.35 1.09 0.17 0.00 0.05 0.00 0.00 61.00 62.66 1i02 s PRO 33 Cb 0.39 -1.70 -0.24 0.00 0.05 0.00 0.00 34.50 33.00 1i02 s PRO 33 CO -0.04 -2.82 0.14 1.33 0.05 0.00 0.00 177.00 175.66 1i02 n VAL 34 N -4.32 0.96 -3.89 -0.36 0.24 -0.87 -4.99 118.33 105.10 1i02 n VAL 34 Ca 0.07 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.34 61.58 1i02 n VAL 34 Cb 0.54 -0.40 -0.12 0.00 -1.47 0.00 0.00 33.84 32.38 1i02 n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1i02 s LYS 35 N -2.62 0.20 -0.19 7.34 1.02 -1.08 -4.99 119.74 119.41 1i02 s LYS 35 Ca -0.08 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.69 1i02 s LYS 35 Cb 0.07 0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.55 1i02 s LYS 35 CO 0.74 -0.04 0.26 -0.98 -0.92 0.00 0.00 175.35 174.42 1i02 s ARG 36 N -0.58 0.21 0.00 1.68 1.70 -1.26 0.70 118.95 121.40 1i02 s ARG 36 Ca -0.06 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.61 1i02 s ARG 36 Cb -0.04 -0.75 0.00 0.00 -0.57 0.00 0.00 34.95 33.59 1i02 s ARG 36 CO 0.00 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 1i02 n GLY 37 N 5.34 5.06 3.33 3.88 0.00 0.15 -3.55 105.19 119.39 1i02 n GLY 37 Ca -0.05 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1i02 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i02 s ILE 39 N -0.87 0.16 -0.04 0.00 1.01 0.65 -4.64 121.20 117.46 1i02 s ILE 39 Ca 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 59.53 1i02 s ILE 39 Cb -0.10 -1.32 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 1i02 s ILE 39 CO 0.03 -0.71 0.14 -0.67 0.00 0.00 0.00 174.94 173.73 1i02 n ASP 40 N 0.08 3.27 -3.47 3.58 2.03 -1.26 -1.32 116.55 119.45 1i02 n ASP 40 Ca -0.15 -0.08 -0.11 0.00 0.52 0.00 0.00 54.79 54.97 1i02 n ASP 40 Cb 0.62 1.23 -0.10 0.00 -0.72 0.00 0.00 41.12 42.15 1i02 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1i02 s VAL 41 N -2.29 -0.55 0.24 5.18 0.11 -1.26 -4.89 120.40 116.94 1i02 s VAL 41 Ca -0.02 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 1i02 s VAL 41 Cb 0.04 -0.72 -0.09 0.00 -1.53 0.00 0.00 36.38 34.08 1i02 s VAL 41 CO 0.24 -0.06 1.25 0.00 -3.33 0.00 0.00 175.10 173.19 1i02 n PRO 43 N 1.96 1.02 -4.61 0.00 -0.02 -1.26 -5.00 135.00 127.09 1i02 n PRO 43 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 1i02 n PRO 43 Cb 0.43 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.77 1i02 n PRO 43 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1i02 s LYS 44 N 0.00 3.37 0.54 -0.52 0.00 -1.26 -4.95 119.74 116.92 1i02 s LYS 44 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 55.97 55.12 1i02 s LYS 44 Cb 0.00 -2.69 -0.06 0.00 0.00 0.00 0.00 37.83 35.08 1i02 s LYS 44 CO 0.00 0.13 1.02 -1.12 0.00 0.00 0.00 175.35 175.38 1i02 s SER 45 N 0.57 6.25 0.00 0.03 0.01 -1.26 -4.89 113.70 114.41 1i02 s SER 45 Ca -0.08 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1i02 s SER 45 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1i02 s SER 45 CO 0.03 -0.84 0.00 -1.54 0.41 0.00 0.00 173.24 171.30 1i02 n SER 46 N -1.67 0.00 -0.26 2.44 3.41 -0.42 -4.97 113.62 112.17 1i02 n SER 46 Ca 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.68 1i02 n SER 46 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.60 1i02 n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1i02 h LEU 47 N 0.00 0.64 -4.41 1.04 -0.00 -2.05 -3.24 115.31 107.30 1i02 h LEU 47 Ca 0.00 0.03 -0.39 0.00 -0.00 0.00 0.00 57.88 57.52 1i02 h LEU 47 Cb 0.00 -0.10 -0.40 0.00 -0.00 0.00 0.00 40.66 40.16 1i02 h LEU 47 CO 0.00 0.41 -0.94 0.00 -0.00 0.00 0.00 178.44 177.91 1i02 n LEU 48 N -4.73 3.30 -3.71 1.67 -0.00 -1.26 -4.78 117.00 107.49 1i02 n LEU 48 Ca 0.10 -3.90 -0.11 0.00 -0.00 0.00 0.00 56.01 52.09 1i02 n LEU 48 Cb 0.17 0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.49 1i02 n LEU 48 CO 0.30 1.58 -0.03 0.54 -0.00 0.00 0.00 177.39 179.77 1i02 s VAL 49 N -4.07 -0.03 -0.22 1.47 0.11 -1.22 -4.65 120.40 111.78 1i02 s VAL 49 Ca 0.40 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.52 1i02 s VAL 49 Cb 0.37 -0.49 0.09 0.00 -1.53 0.00 0.00 36.38 34.81 1i02 s VAL 49 CO -0.00 0.05 0.16 -0.75 -3.33 0.00 0.00 175.10 171.22 1i02 s LYS 50 N 1.25 0.16 -0.37 1.54 2.47 -0.80 -1.29 119.74 122.70 1i02 s LYS 50 Ca -0.09 -0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 54.08 1i02 s LYS 50 Cb -0.09 -1.36 0.02 0.00 -1.46 0.00 0.00 37.83 34.94 1i02 s LYS 50 CO -0.10 -0.80 0.21 0.71 0.16 0.00 0.00 175.35 175.54 1i02 s TYR 51 N 2.21 3.23 -0.09 4.03 1.51 -1.26 -2.09 117.35 124.89 1i02 s TYR 51 Ca 0.06 -0.78 -0.20 0.00 -1.01 0.00 0.00 57.07 55.14 1i02 s TYR 51 Cb -0.16 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1i02 s TYR 51 CO -0.20 -0.58 0.55 0.08 -1.11 0.00 0.00 175.55 174.30 1i02 s VAL 52 N 1.60 5.12 -0.04 0.71 1.01 0.10 -4.81 120.40 124.09 1i02 s VAL 52 Ca 0.03 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 1i02 s VAL 52 Cb -0.19 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1i02 s VAL 52 CO 0.07 0.32 0.02 0.00 0.00 0.00 0.00 175.10 175.51 1i02 n ASN 55 N 2.14 5.55 -3.46 0.00 0.23 -1.25 0.20 115.26 118.67 1i02 n ASN 55 Ca -0.16 -3.13 -0.12 0.00 -0.53 0.00 0.00 54.58 50.64 1i02 n ASN 55 Cb 0.52 -1.45 -0.04 0.00 -2.08 0.00 0.00 39.78 36.73 1i02 n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1i02 s THR 56 N 0.04 0.00 -0.24 5.53 -4.23 0.49 -4.86 115.64 112.37 1i02 s THR 56 Ca 0.41 -1.49 -0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1i02 s THR 56 Cb 0.11 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1i02 s THR 56 CO -0.00 0.00 0.98 -0.62 -0.54 0.00 0.00 174.62 174.44 1i02 s ASP 57 N -3.15 7.01 -0.66 3.99 2.15 -1.26 -4.21 116.67 120.53 1i02 s ASP 57 Ca 0.27 1.25 -0.07 0.00 0.43 0.00 0.00 52.55 54.43 1i02 s ASP 57 Cb -0.01 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1i02 s ASP 57 CO 0.16 -0.65 0.66 -1.14 -0.17 0.00 0.00 175.17 174.03 1i02 n ARG 58 N 6.28 -1.65 -0.12 4.34 3.00 0.76 -4.92 116.66 124.36 1i02 n ARG 58 Ca 0.10 1.50 0.02 0.00 -0.00 0.00 0.00 57.85 59.47 1i02 n ARG 58 Cb 0.47 -4.80 0.03 0.00 0.00 0.00 0.00 32.46 28.16 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63