#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 1.02 -0.07 1.96 -2.85 -1.26 -0.90 119.74 117.65 1i02 s LYS 2 Ca 0.00 -1.48 -0.06 0.00 -1.00 0.00 0.00 55.97 53.43 1i02 s LYS 2 Cb 0.00 -0.10 0.02 0.00 -2.06 0.00 0.00 37.83 35.69 1i02 s LYS 2 CO 0.00 -0.16 0.18 0.00 0.10 0.00 0.00 175.35 175.46 1i02 n ASN 4 N 3.08 -1.06 -4.97 0.00 3.02 -1.26 0.48 115.26 114.55 1i02 n ASN 4 Ca -0.14 1.07 -0.21 0.00 -0.03 0.00 0.00 54.58 55.27 1i02 n ASN 4 Cb 0.58 -1.01 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1i02 n ASN 4 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1i02 s LYS 5 N -1.14 3.23 0.51 3.52 2.47 -0.21 -4.36 119.74 123.76 1i02 s LYS 5 Ca 0.62 -0.67 0.34 0.00 -1.56 0.00 0.00 55.97 54.70 1i02 s LYS 5 Cb -0.82 -2.72 1.15 0.00 -1.46 0.00 0.00 37.83 33.98 1i02 s LYS 5 CO 0.58 0.05 1.25 1.28 0.16 0.00 0.00 175.35 178.66 1i02 n LEU 6 N -1.76 0.00 -4.60 5.43 4.77 -1.26 -4.06 117.00 115.52 1i02 n LEU 6 Ca -0.02 0.76 -0.34 0.00 -0.03 0.00 0.00 56.01 56.38 1i02 n LEU 6 Cb 0.57 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1i02 n LEU 6 CO 0.45 -0.76 -0.30 -0.69 -1.33 0.00 0.00 177.39 174.76 1i02 s VAL 7 N -4.37 4.40 -0.17 4.08 1.01 -1.26 -4.97 120.40 119.12 1i02 s VAL 7 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1i02 s VAL 7 Cb 0.18 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1i02 s VAL 7 CO 0.59 0.51 1.77 -0.81 0.00 0.00 0.00 175.10 177.16 1i02 n PRO 8 N 3.20 0.99 0.00 2.72 -0.05 -1.26 -2.98 135.00 137.63 1i02 n PRO 8 Ca -0.17 -0.60 0.00 0.00 -0.05 0.00 0.00 63.50 62.67 1i02 n PRO 8 Cb 0.53 -1.86 0.00 0.00 -0.05 0.00 0.00 33.50 32.12 1i02 n PRO 8 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1i02 n LEU 9 N 3.21 0.00 0.00 1.53 4.77 -1.26 -5.12 117.00 120.13 1i02 n LEU 9 Ca 0.21 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1i02 n LEU 9 Cb 0.30 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1i02 n LEU 9 CO 0.31 -0.19 -0.02 2.22 -1.33 0.00 0.00 177.39 178.39 1i02 n PHE 10 N -1.87 0.08 -3.83 -1.77 -1.74 -1.16 -5.04 117.46 102.12 1i02 n PHE 10 Ca 0.00 -0.22 -0.07 0.00 -0.56 0.00 0.00 57.45 56.60 1i02 n PHE 10 Cb 0.00 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 40.96 1i02 n PHE 10 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1i02 n TYR 11 N -0.10 -0.81 -4.44 2.97 4.11 -1.26 -1.05 117.16 116.58 1i02 n TYR 11 Ca -0.01 -1.06 -0.22 0.00 -0.00 0.00 0.00 57.90 56.61 1i02 n TYR 11 Cb 0.06 0.23 -0.10 0.00 -0.00 0.00 0.00 39.34 39.52 1i02 n TYR 11 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1i02 s LYS 12 N -2.38 1.58 0.63 -3.48 2.20 0.18 -4.61 119.74 113.86 1i02 s LYS 12 Ca 0.13 -1.80 0.01 0.00 -0.36 0.00 0.00 55.97 53.95 1i02 s LYS 12 Cb -0.00 -1.19 0.08 0.00 -1.51 0.00 0.00 37.83 35.21 1i02 s LYS 12 CO 0.10 0.04 0.88 0.99 -0.36 0.00 0.00 175.35 176.99 1i02 s THR 13 N -2.99 2.36 -0.05 3.43 2.01 -1.26 0.52 115.64 119.66 1i02 s THR 13 Ca 0.30 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1i02 s THR 13 Cb 0.04 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1i02 s THR 13 CO 0.12 0.00 -0.15 0.00 -0.69 0.00 0.00 174.62 173.91 1i02 s PRO 15 N 0.32 4.13 0.09 0.00 0.02 -1.26 -4.49 135.00 133.82 1i02 s PRO 15 Ca -0.09 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.03 1i02 s PRO 15 Cb -0.13 -2.91 -0.09 0.00 0.02 0.00 0.00 34.50 31.40 1i02 s PRO 15 CO 0.03 -0.38 0.28 0.00 -0.33 0.00 0.00 177.00 176.60 1i02 n ALA 16 N 0.43 -1.94 -1.51 -1.55 0.00 -1.26 -3.78 120.51 110.90 1i02 n ALA 16 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1i02 n ALA 16 Cb 0.42 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1i02 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i02 n GLY 17 N 0.97 0.60 3.25 0.00 0.00 -1.26 -5.10 105.19 103.65 1i02 n GLY 17 Ca 0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1i02 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i02 s LYS 18 N -2.80 0.69 0.00 1.61 0.00 -1.25 -4.52 119.74 113.48 1i02 s LYS 18 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 55.97 55.78 1i02 s LYS 18 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 1i02 s LYS 18 CO 0.00 -0.19 0.44 0.27 0.00 0.00 0.00 175.35 175.86 1i02 n ASN 19 N 1.23 0.00 -1.45 0.03 6.94 -1.24 -4.92 115.26 115.84 1i02 n ASN 19 Ca -0.21 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 1i02 n ASN 19 Cb 0.56 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1i02 n ASN 19 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1i02 n LEU 20 N 0.00 0.00 -3.84 -4.53 4.77 -0.69 -1.60 117.00 111.10 1i02 n LEU 20 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1i02 n LEU 20 Cb 0.54 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1i02 n LEU 20 CO 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 177.39 175.86 1i02 s TYR 22 N -0.33 1.24 -0.07 0.00 1.13 -0.92 -2.42 117.35 115.98 1i02 s TYR 22 Ca -0.04 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.16 1i02 s TYR 22 Cb -0.03 -0.70 0.03 0.00 -1.10 0.00 0.00 41.96 40.16 1i02 s TYR 22 CO 0.00 0.06 -0.00 -1.59 -2.51 0.00 0.00 175.55 171.52 1i02 s LYS 23 N -1.70 0.61 -0.18 -3.49 -2.85 -1.00 -1.39 119.74 109.74 1i02 s LYS 23 Ca -0.01 0.10 -0.08 0.00 -1.00 0.00 0.00 55.97 54.97 1i02 s LYS 23 Cb -0.10 -0.94 -0.04 0.00 -2.06 0.00 0.00 37.83 34.69 1i02 s LYS 23 CO 0.02 -0.28 0.09 1.41 0.10 0.00 0.00 175.35 176.69 1i02 s MET 24 N 1.87 4.00 0.00 1.78 1.75 -0.80 -2.67 119.30 125.23 1i02 s MET 24 Ca 0.03 -0.28 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1i02 s MET 24 Cb -0.12 -3.28 0.00 0.00 2.84 0.00 0.00 34.83 34.26 1i02 s MET 24 CO -0.05 0.33 0.00 1.97 -0.65 0.00 0.00 175.02 176.62 1i02 n PHE 25 N 3.39 0.00 -4.54 4.11 1.16 -0.96 -1.81 117.46 118.81 1i02 n PHE 25 Ca -0.17 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.17 1i02 n PHE 25 Cb 0.52 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.29 1i02 n PHE 25 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1i02 s MET 26 N 4.82 1.81 0.05 3.97 -1.94 -1.26 -2.03 119.30 124.72 1i02 s MET 26 Ca 0.00 -2.03 0.23 0.00 -1.71 0.00 0.00 55.69 52.18 1i02 s MET 26 Cb 0.00 -1.20 0.06 0.00 2.01 0.00 0.00 34.83 35.70 1i02 s MET 26 CO 0.00 -0.15 1.04 0.28 -0.01 0.00 0.00 175.02 176.18 1i02 n VAL 27 N -0.84 0.17 0.02 -6.03 0.31 -1.16 -2.66 118.33 108.14 1i02 n VAL 27 Ca -0.04 -0.23 -0.19 0.00 -0.01 0.00 0.00 64.34 63.87 1i02 n VAL 27 Cb 0.67 0.21 -0.12 0.00 -0.91 0.00 0.00 33.84 33.69 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 2.56 0.01 -2.10 3.52 0.00 -1.86 -3.38 119.26 118.01 1i02 h ALA 28 Ca 0.00 -0.62 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 1i02 h ALA 28 Cb 0.72 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.16 1i02 h ALA 28 CO 0.00 0.37 -0.99 2.41 0.00 0.00 0.00 179.25 181.04 1i02 n THR 29 N -4.17 0.92 0.57 0.00 -1.04 -1.26 -4.91 114.28 104.39 1i02 n THR 29 Ca -0.12 -4.89 0.00 0.00 -2.04 0.00 0.00 64.05 57.00 1i02 n THR 29 Cb 0.74 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1i02 n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i02 n PRO 30 N 0.21 0.44 0.11 -2.82 -0.05 -1.09 -3.68 135.00 128.12 1i02 n PRO 30 Ca 0.27 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.84 1i02 n PRO 30 Cb 0.56 -1.15 0.46 0.00 -0.05 0.00 0.00 33.50 33.31 1i02 n PRO 30 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1i02 n LYS 31 N 0.05 0.19 -3.37 0.54 3.00 -1.26 -4.56 118.16 112.74 1i02 n LYS 31 Ca 0.00 0.33 -0.11 0.00 -0.00 0.00 0.00 58.31 58.53 1i02 n LYS 31 Cb 0.08 -1.81 -0.09 0.00 0.00 0.00 0.00 35.03 33.21 1i02 n LYS 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1i02 s VAL 32 N -3.22 -0.54 0.29 3.15 0.11 -1.24 -5.12 120.40 113.82 1i02 s VAL 32 Ca 0.07 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1i02 s VAL 32 Cb 0.11 -0.83 -0.11 0.00 -1.53 0.00 0.00 36.38 34.01 1i02 s VAL 32 CO 0.44 -0.19 1.62 -2.84 -3.33 0.00 0.00 175.10 170.80 1i02 s PRO 33 N 2.49 4.11 0.04 1.54 0.02 -1.26 -4.87 135.00 137.07 1i02 s PRO 33 Ca 0.11 2.60 0.16 0.00 0.02 0.00 0.00 61.00 63.89 1i02 s PRO 33 Cb -0.15 -3.02 -0.16 0.00 0.02 0.00 0.00 34.50 31.19 1i02 s PRO 33 CO -0.18 -0.66 0.79 1.33 -0.33 0.00 0.00 177.00 177.95 1i02 n VAL 34 N 2.29 1.30 -4.87 3.83 0.24 -0.75 -4.87 118.33 115.50 1i02 n VAL 34 Ca 0.09 -0.72 -0.28 0.00 -2.04 0.00 0.00 64.34 61.39 1i02 n VAL 34 Cb 0.37 -0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.85 1.64 -0.12 7.34 1.02 -0.94 -4.95 119.74 120.89 1i02 s LYS 35 Ca -0.03 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 54.99 1i02 s LYS 35 Cb 0.08 -1.72 0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1i02 s LYS 35 CO 0.81 0.45 0.04 1.03 -0.92 0.00 0.00 175.35 176.76 1i02 s ARG 36 N -0.99 0.40 0.00 1.68 0.52 -1.26 -1.91 118.95 117.38 1i02 s ARG 36 Ca 0.09 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 1i02 s ARG 36 Cb -0.09 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 34.03 1i02 s ARG 36 CO 0.01 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1i02 n GLY 37 N 5.17 4.62 3.49 -3.53 0.00 -0.49 -4.16 105.19 110.29 1i02 n GLY 37 Ca -0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.07 0.26 -0.08 0.00 1.01 -1.09 -4.61 121.20 115.62 1i02 s ILE 39 Ca 0.17 -0.76 0.15 0.00 0.00 0.00 0.00 60.65 60.21 1i02 s ILE 39 Cb -0.11 -0.34 -0.23 0.00 0.01 0.00 0.00 42.46 41.80 1i02 s ILE 39 CO 0.09 -0.33 0.23 -0.67 0.00 0.00 0.00 174.94 174.25 1i02 n ASP 40 N 1.90 1.23 -3.82 3.58 -0.08 -1.26 -1.71 116.55 116.39 1i02 n ASP 40 Ca -0.21 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 52.95 1i02 n ASP 40 Cb 0.56 1.37 -0.13 0.00 2.34 0.00 0.00 41.12 45.27 1i02 n ASP 40 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1i02 s VAL 41 N -2.81 0.00 -0.26 5.18 -7.23 -1.26 -4.83 120.40 109.19 1i02 s VAL 41 Ca -0.07 -0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 1i02 s VAL 41 Cb 0.08 -0.21 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 1i02 s VAL 41 CO 0.66 -0.01 0.73 0.00 -0.31 0.00 0.00 175.10 176.17 1i02 n PRO 43 N 5.92 -2.11 -2.54 0.00 -0.01 -1.26 -4.89 135.00 130.10 1i02 n PRO 43 Ca 0.02 -0.59 -0.42 0.00 -0.01 0.00 0.00 63.50 62.50 1i02 n PRO 43 Cb 0.48 -1.95 -0.03 0.00 -0.01 0.00 0.00 33.50 31.99 1i02 n PRO 43 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1i02 s LYS 44 N -3.96 4.48 0.78 -0.52 3.01 -1.26 -4.84 119.74 117.43 1i02 s LYS 44 Ca 0.63 1.62 -0.14 0.00 -1.01 0.00 0.00 55.97 57.08 1i02 s LYS 44 Cb -0.19 -3.40 0.07 0.00 -1.01 0.00 0.00 37.83 33.30 1i02 s LYS 44 CO 0.66 -0.17 1.19 -1.12 0.51 0.00 0.00 175.35 176.41 1i02 s SER 45 N 1.04 3.88 0.00 2.83 0.01 -1.26 -4.85 113.70 115.35 1i02 s SER 45 Ca 0.56 2.30 0.00 0.00 1.31 0.00 0.00 55.95 60.12 1i02 s SER 45 Cb -0.26 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1i02 s SER 45 CO 0.29 -2.47 0.00 -0.24 0.41 0.00 0.00 173.24 171.23 1i02 n SER 46 N -3.13 1.41 0.04 2.44 2.88 -0.62 -5.04 113.62 111.59 1i02 n SER 46 Ca 0.13 -0.47 0.11 0.00 -1.33 0.00 0.00 58.87 57.31 1i02 n SER 46 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1i02 n SER 46 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1i02 n LEU 47 N 0.00 0.42 0.00 2.46 0.00 -1.26 -4.55 117.00 114.07 1i02 n LEU 47 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.13 1i02 n LEU 47 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.39 1i02 n LEU 47 CO 0.00 -0.06 -0.44 0.18 0.00 0.00 0.00 177.39 177.07 1i02 n LEU 48 N -2.38 0.04 -4.52 -1.96 4.77 -1.26 -4.54 117.00 107.15 1i02 n LEU 48 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 1i02 n LEU 48 Cb 0.54 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 1i02 n LEU 48 CO 0.43 0.01 -0.44 0.54 -1.33 0.00 0.00 177.39 176.60 1i02 s VAL 49 N -1.88 3.21 0.05 4.08 0.11 -1.26 -2.99 120.40 121.72 1i02 s VAL 49 Ca 0.00 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1i02 s VAL 49 Cb 0.00 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1i02 s VAL 49 CO 0.00 0.37 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.31 1i02 s LYS 50 N -1.42 0.56 -0.20 1.54 2.20 -0.86 -1.59 119.74 119.97 1i02 s LYS 50 Ca 0.16 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1i02 s LYS 50 Cb -0.11 -0.26 0.06 0.00 -1.51 0.00 0.00 37.83 36.01 1i02 s LYS 50 CO 0.06 0.04 -0.00 0.71 -0.36 0.00 0.00 175.35 175.80 1i02 s TYR 51 N -1.69 1.52 -0.11 4.03 1.51 -1.26 -2.27 117.35 119.07 1i02 s TYR 51 Ca -0.07 -1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 54.70 1i02 s TYR 51 Cb -0.08 -1.23 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1i02 s TYR 51 CO -0.00 -0.65 0.36 0.08 -1.11 0.00 0.00 175.55 174.22 1i02 s VAL 52 N 1.69 5.23 0.01 0.71 1.01 -1.09 -4.79 120.40 123.16 1i02 s VAL 52 Ca -0.02 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1i02 s VAL 52 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1i02 s VAL 52 CO -0.07 0.43 -0.12 0.00 0.00 0.00 0.00 175.10 175.34 1i02 n ASN 55 N 2.23 5.35 -1.09 0.00 5.15 -1.26 -2.07 115.26 123.57 1i02 n ASN 55 Ca -0.16 -3.13 -0.01 0.00 -0.60 0.00 0.00 54.58 50.68 1i02 n ASN 55 Cb 0.54 -1.46 -0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1i02 n ASN 55 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1i02 n THR 56 N 3.11 0.00 -3.84 -0.44 -2.24 -0.63 -4.90 114.28 105.34 1i02 n THR 56 Ca 0.41 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.75 1i02 n THR 56 Cb 0.35 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.50 1i02 n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i02 s ASP 57 N -1.10 4.66 -0.90 3.42 -1.08 -1.26 -4.07 116.67 116.33 1i02 s ASP 57 Ca 0.01 -0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 51.68 1i02 s ASP 57 Cb -0.00 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.60 1i02 s ASP 57 CO 0.01 -0.03 0.78 -1.14 0.52 0.00 0.00 175.17 175.31 1i02 n ARG 58 N 4.85 -2.83 -0.45 4.34 0.00 0.15 -4.95 116.66 117.77 1i02 n ARG 58 Ca -0.17 0.72 0.07 0.00 -0.00 0.00 0.00 57.85 58.47 1i02 n ARG 58 Cb 0.51 -5.15 0.16 0.00 0.00 0.00 0.00 32.46 27.98 1i02 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63