#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdx s LYS 2 N 0.00 4.34 0.24 1.47 1.02 -1.26 -2.64 119.74 122.90 2cdx s LYS 2 Ca 0.00 1.98 0.05 0.00 0.02 0.00 0.00 55.97 58.01 2cdx s LYS 2 Cb 0.00 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2cdx s LYS 2 CO 0.00 -0.43 0.17 0.00 -0.92 0.00 0.00 175.35 174.17 2cdx s ASN 4 N -2.60 4.47 1.03 0.00 0.01 -1.26 -2.26 114.94 114.34 2cdx s ASN 4 Ca 0.24 -2.26 -0.13 0.00 -0.71 0.00 0.00 52.86 50.00 2cdx s ASN 4 Cb 0.01 -1.45 0.14 0.00 0.41 0.00 0.00 41.25 40.36 2cdx s ASN 4 CO 0.17 -0.35 0.67 2.29 -1.51 0.00 0.00 177.10 178.36 2cdx n LYS 5 N 4.09 -1.14 -0.19 -0.60 2.85 -1.26 -4.67 118.16 117.25 2cdx n LYS 5 Ca 0.03 -0.29 0.04 0.00 -1.05 0.00 0.00 58.31 57.04 2cdx n LYS 5 Cb 0.40 -2.04 0.09 0.00 -0.65 0.00 0.00 35.03 32.82 2cdx n LYS 5 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2cdx n LEU 6 N -3.05 -0.17 -4.62 -5.58 -0.00 -1.26 -4.65 117.00 97.67 2cdx n LEU 6 Ca 0.06 0.91 -0.38 0.00 -0.00 0.00 0.00 56.01 56.61 2cdx n LEU 6 Cb 0.55 -0.28 0.05 0.00 -0.00 0.00 0.00 43.42 43.74 2cdx n LEU 6 CO 0.52 -0.88 0.56 -0.38 -0.00 0.00 0.00 177.39 177.20 2cdx n ILE 7 N -4.84 3.62 -0.16 1.96 2.08 -1.26 -4.96 119.36 115.81 2cdx n ILE 7 Ca 0.09 -0.50 -0.06 0.00 0.56 0.00 0.00 62.75 62.84 2cdx n ILE 7 Cb 0.29 -1.16 -0.00 0.00 -0.75 0.00 0.00 39.64 38.01 2cdx n ILE 7 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2cdx h PRO 8 N 0.57 -0.20 -0.01 0.38 0.11 -1.99 -3.26 132.00 127.60 2cdx h PRO 8 Ca -0.48 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2cdx h PRO 8 Cb 1.36 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.52 2cdx h PRO 8 CO 0.51 -0.13 -0.15 0.97 -0.21 0.00 0.00 178.00 178.99 2cdx h ILE 9 N -0.21 1.53 -0.68 4.15 6.09 -1.92 -3.51 117.51 122.97 2cdx h ILE 9 Ca 0.20 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 2cdx h ILE 9 Cb 0.54 2.66 0.00 0.00 0.47 0.00 0.00 36.82 40.49 2cdx h ILE 9 CO -0.60 0.48 0.00 0.00 -3.07 0.00 0.00 178.15 174.96 2cdx n ALA 10 N -2.50 -1.00 -3.72 0.18 0.00 -1.23 -4.94 120.51 107.30 2cdx n ALA 10 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2cdx n ALA 10 Cb 0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 2cdx n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cdx s SER 11 N -0.00 5.31 -0.13 0.00 1.04 -1.26 -4.28 113.70 114.38 2cdx s SER 11 Ca 0.00 -1.97 0.01 0.00 0.48 0.00 0.00 55.95 54.48 2cdx s SER 11 Cb 0.00 -1.85 -0.00 0.00 0.10 0.00 0.00 66.02 64.27 2cdx s SER 11 CO 0.00 -0.55 -0.18 -0.75 0.98 0.00 0.00 173.24 172.74 2cdx s LYS 12 N 1.18 3.18 -0.47 4.02 2.47 -0.96 -4.93 119.74 124.24 2cdx s LYS 12 Ca 0.07 -0.78 0.05 0.00 -1.56 0.00 0.00 55.97 53.74 2cdx s LYS 12 Cb -0.23 -2.52 0.18 0.00 -1.46 0.00 0.00 37.83 33.80 2cdx s LYS 12 CO -0.03 0.09 0.40 -2.37 0.16 0.00 0.00 175.35 173.60 2cdx n THR 13 N 3.83 -0.56 -3.33 3.43 5.66 -1.26 -0.81 114.28 121.24 2cdx n THR 13 Ca -0.19 -3.80 -0.19 0.00 -3.05 0.00 0.00 64.05 56.82 2cdx n THR 13 Cb 0.52 -1.79 -0.01 0.00 -1.55 0.00 0.00 70.33 67.50 2cdx n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cdx n PRO 15 N -1.72 -1.23 -1.13 0.00 -0.02 -1.26 -1.94 135.00 127.70 2cdx n PRO 15 Ca 0.06 -0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 60.92 2cdx n PRO 15 Cb 0.61 -2.00 0.22 0.00 -0.02 0.00 0.00 33.50 32.31 2cdx n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cdx s ALA 16 N -2.40 0.74 0.00 3.55 0.00 -1.26 -0.01 121.76 122.38 2cdx s ALA 16 Ca 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2cdx s ALA 16 Cb -0.20 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2cdx s ALA 16 CO 0.65 -3.38 0.00 0.41 0.00 0.00 0.00 175.76 173.44 2cdx n GLY 17 N -1.09 1.75 2.56 0.00 0.00 -1.26 -4.74 105.19 102.41 2cdx n GLY 17 Ca 0.11 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2cdx n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cdx n LYS 18 N 0.00 3.23 -0.20 1.61 4.76 -1.25 -4.50 118.16 121.82 2cdx n LYS 18 Ca 0.00 -2.47 -0.06 0.00 -2.87 0.00 0.00 58.31 52.91 2cdx n LYS 18 Cb 0.00 -3.08 0.10 0.00 -1.84 0.00 0.00 35.03 30.21 2cdx n LYS 18 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 2cdx h ASN 19 N 5.57 0.96 -2.88 4.39 7.08 -1.69 -0.89 115.58 128.13 2cdx h ASN 19 Ca 0.69 -0.21 -0.56 0.00 -3.08 0.00 0.00 56.30 53.14 2cdx h ASN 19 Cb 0.49 -0.25 -0.03 0.00 -2.08 0.00 0.00 38.32 36.44 2cdx h ASN 19 CO 1.84 0.95 1.02 -0.76 -2.08 0.00 0.00 177.43 178.40 2cdx s LEU 20 N -9.41 4.03 -0.92 6.14 1.43 0.47 -2.67 118.68 117.74 2cdx s LEU 20 Ca -0.11 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 2cdx s LEU 20 Cb 0.15 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.92 2cdx s LEU 20 CO 0.83 -1.03 1.25 0.00 0.23 0.00 0.00 176.35 177.63 2cdx s TYR 22 N 4.00 2.31 -0.35 0.00 -0.85 -0.73 -3.58 117.35 118.15 2cdx s TYR 22 Ca 0.37 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.49 2cdx s TYR 22 Cb -0.04 -3.36 0.11 0.00 0.38 0.00 0.00 41.96 39.04 2cdx s TYR 22 CO -0.06 -2.21 0.15 0.21 -1.52 0.00 0.00 175.55 172.13 2cdx s LYS 23 N -3.86 0.85 -1.00 -3.49 2.20 0.18 -1.30 119.74 113.32 2cdx s LYS 23 Ca 0.72 -1.35 -0.24 0.00 -0.36 0.00 0.00 55.97 54.73 2cdx s LYS 23 Cb -0.26 -2.01 -0.08 0.00 -1.51 0.00 0.00 37.83 33.97 2cdx s LYS 23 CO 0.41 -1.06 2.00 1.41 -0.36 0.00 0.00 175.35 177.76 2cdx s MET 24 N 1.21 2.33 -0.51 4.03 -2.45 0.40 -0.88 119.30 123.43 2cdx s MET 24 Ca 0.13 -0.51 -0.28 0.00 -1.25 0.00 0.00 55.69 53.78 2cdx s MET 24 Cb -0.20 -5.09 0.03 0.00 1.25 0.00 0.00 34.83 30.82 2cdx s MET 24 CO -0.16 -3.85 1.09 -0.06 1.05 0.00 0.00 175.02 173.09 2cdx s PHE 25 N 11.39 2.78 0.33 4.11 0.40 -1.26 -1.12 117.98 134.60 2cdx s PHE 25 Ca 0.73 0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 57.25 2cdx s PHE 25 Cb -0.05 -4.33 -0.12 0.00 0.51 0.00 0.00 43.02 39.03 2cdx s PHE 25 CO 0.06 -1.33 1.46 -0.12 0.70 0.00 0.00 175.22 175.99 2cdx n MET 26 N 7.83 2.47 -0.34 0.44 1.56 -1.16 -1.07 117.12 126.85 2cdx n MET 26 Ca 0.09 0.87 0.19 0.00 -0.27 0.00 0.00 57.70 58.57 2cdx n MET 26 Cb 0.49 -2.57 0.40 0.00 2.15 0.00 0.00 33.22 33.69 2cdx n MET 26 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 2cdx h MET 27 N 3.52 0.53 0.22 2.12 2.86 -1.79 -2.60 114.93 119.79 2cdx h MET 27 Ca -0.48 -0.03 -0.33 0.00 -2.06 0.00 0.00 59.70 56.80 2cdx h MET 27 Cb 1.25 -0.12 0.03 0.00 0.06 0.00 0.00 31.60 32.82 2cdx h MET 27 CO 0.69 0.35 -1.48 0.77 1.06 0.00 0.00 176.91 178.31 2cdx h SER 28 N 0.55 0.74 -3.13 1.22 0.02 -1.91 -3.43 113.55 107.60 2cdx h SER 28 Ca 0.65 -0.82 -0.58 0.00 -0.84 0.00 0.00 61.79 60.20 2cdx h SER 28 Cb 1.29 -0.24 -0.40 0.00 0.14 0.00 0.00 62.40 63.19 2cdx h SER 28 CO -0.47 1.65 -0.76 -0.62 -1.14 0.00 0.00 176.83 175.49 2cdx s ASP 29 N -7.46 3.96 0.00 3.07 2.15 -0.99 -5.08 116.67 112.31 2cdx s ASP 29 Ca -0.09 -1.66 0.00 0.00 0.43 0.00 0.00 52.55 51.23 2cdx s ASP 29 Cb 0.05 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.84 2cdx s ASP 29 CO 0.92 -0.41 0.11 0.18 -0.17 0.00 0.00 175.17 175.80 2cdx n LEU 30 N 4.82 1.82 0.00 -1.34 7.99 -1.13 -3.00 117.00 126.16 2cdx n LEU 30 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 2cdx n LEU 30 Cb 0.42 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2cdx n LEU 30 CO 0.11 -0.13 0.00 0.35 -1.51 0.00 0.00 177.39 176.21 2cdx n THR 31 N -0.90 0.00 -3.03 -5.08 -2.24 -1.26 -3.66 114.28 98.12 2cdx n THR 31 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2cdx n THR 31 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2cdx n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cdx s ILE 32 N -2.16 4.77 0.77 2.28 1.09 -1.26 -5.06 121.20 121.63 2cdx s ILE 32 Ca 0.00 0.54 -0.12 0.00 -1.10 0.00 0.00 60.65 59.97 2cdx s ILE 32 Cb 0.00 -4.20 0.06 0.00 -1.06 0.00 0.00 42.46 37.26 2cdx s ILE 32 CO 0.00 -0.51 1.12 -2.84 -0.10 0.00 0.00 174.94 172.61 2cdx s PRO 33 N 3.00 2.09 -0.02 2.79 0.02 -1.24 -4.82 135.00 136.81 2cdx s PRO 33 Ca 0.27 1.37 -0.05 0.00 0.02 0.00 0.00 61.00 62.61 2cdx s PRO 33 Cb -0.13 -1.86 -0.29 0.00 0.02 0.00 0.00 34.50 32.24 2cdx s PRO 33 CO 0.18 -1.79 0.76 -0.39 -0.33 0.00 0.00 177.00 175.43 2cdx h VAL 34 N -0.93 1.04 -3.99 3.83 -1.51 -1.44 -3.49 116.25 109.76 2cdx h VAL 34 Ca -0.45 -2.67 -0.12 0.00 -1.23 0.00 0.00 66.70 62.24 2cdx h VAL 34 Cb 1.25 2.74 -0.13 0.00 -2.13 0.00 0.00 31.29 33.01 2cdx h VAL 34 CO 0.50 0.82 -0.41 -0.75 -1.23 0.00 0.00 177.57 176.50 2cdx s LYS 35 N -2.60 1.02 -0.09 5.19 2.20 -1.24 -4.85 119.74 119.37 2cdx s LYS 35 Ca -0.12 -1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 54.27 2cdx s LYS 35 Cb 0.06 0.34 0.04 0.00 -1.51 0.00 0.00 37.83 36.76 2cdx s LYS 35 CO 0.85 -0.34 0.20 1.03 -0.36 0.00 0.00 175.35 176.73 2cdx s ARG 36 N -3.96 0.18 0.00 4.03 0.52 -1.26 -0.46 118.95 118.00 2cdx s ARG 36 Ca 0.15 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2cdx s ARG 36 Cb 0.05 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.43 2cdx s ARG 36 CO -0.03 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2cdx n GLY 37 N 3.95 4.20 3.03 -3.53 0.00 -0.42 -4.05 105.19 108.37 2cdx n GLY 37 Ca -0.23 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 2cdx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdx s ILE 39 N 0.43 0.00 -0.23 0.00 1.10 -0.21 -4.91 121.20 117.39 2cdx s ILE 39 Ca -0.09 -1.05 -0.12 0.00 -0.51 0.00 0.00 60.65 58.87 2cdx s ILE 39 Cb -0.13 -2.28 -0.18 0.00 0.15 0.00 0.00 42.46 40.03 2cdx s ILE 39 CO 0.02 0.00 -0.04 0.47 -2.11 0.00 0.00 174.94 173.29 2cdx n ASP 40 N -0.74 1.96 -0.76 4.50 9.92 -1.26 -0.39 116.55 129.78 2cdx n ASP 40 Ca -0.05 0.25 0.05 0.00 -0.53 0.00 0.00 54.79 54.51 2cdx n ASP 40 Cb 0.60 -0.80 0.09 0.00 -0.64 0.00 0.00 41.12 40.37 2cdx n ASP 40 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2cdx n VAL 41 N -3.99 0.95 -0.75 2.53 0.31 -1.26 -4.52 118.33 111.61 2cdx n VAL 41 Ca -0.43 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.29 2cdx n VAL 41 Cb 0.87 0.32 0.00 0.00 -0.91 0.00 0.00 33.84 34.13 2cdx n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cdx n PRO 43 N 0.18 0.00 -3.19 0.00 -0.02 -1.26 -4.80 135.00 125.91 2cdx n PRO 43 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2cdx n PRO 43 Cb 0.00 -0.13 -0.01 0.00 -0.02 0.00 0.00 33.50 33.35 2cdx n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2cdx s LYS 44 N 0.00 0.66 0.00 -0.52 1.02 -1.26 -5.13 119.74 114.51 2cdx s LYS 44 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2cdx s LYS 44 Cb 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 2cdx s LYS 44 CO 0.00 -1.11 0.00 0.27 -0.92 0.00 0.00 175.35 173.59 2cdx n ASN 45 N 5.00 -0.59 0.00 2.83 6.94 -1.26 -4.67 115.26 123.51 2cdx n ASN 45 Ca 0.07 -0.54 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 2cdx n ASN 45 Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 2cdx n ASN 45 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2cdx n SER 46 N -2.49 0.00 -0.15 0.53 2.88 0.43 -4.84 113.62 109.98 2cdx n SER 46 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2cdx n SER 46 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2cdx n SER 46 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2cdx h LEU 47 N 0.00 -0.63 -1.98 2.46 8.10 -2.04 -3.37 115.31 117.85 2cdx h LEU 47 Ca 0.00 0.16 -0.11 0.00 0.11 0.00 0.00 57.88 58.05 2cdx h LEU 47 Cb 0.00 0.37 -0.14 0.00 -0.44 0.00 0.00 40.66 40.44 2cdx h LEU 47 CO 0.00 -0.21 -0.37 0.18 -4.11 0.00 0.00 178.44 173.92 2cdx n LEU 48 N -5.39 -0.40 -3.68 0.17 4.77 -1.26 -5.03 117.00 106.18 2cdx n LEU 48 Ca 0.04 -1.74 -0.03 0.00 -0.03 0.00 0.00 56.01 54.25 2cdx n LEU 48 Cb 0.29 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2cdx n LEU 48 CO 0.09 1.16 0.82 0.54 -1.33 0.00 0.00 177.39 178.66 2cdx s VAL 49 N 0.00 0.00 -0.43 4.08 0.11 -1.26 -2.99 120.40 119.91 2cdx s VAL 49 Ca 0.06 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2cdx s VAL 49 Cb 0.07 -1.82 0.22 0.00 -1.53 0.00 0.00 36.38 33.31 2cdx s VAL 49 CO -0.03 0.00 0.57 1.17 -3.33 0.00 0.00 175.10 173.49 2cdx n LYS 50 N -0.43 0.55 -1.66 1.54 4.81 -0.23 -0.43 118.16 122.31 2cdx n LYS 50 Ca -0.07 -2.74 -0.49 0.00 -0.87 0.00 0.00 58.31 54.15 2cdx n LYS 50 Cb 0.61 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 2cdx n LYS 50 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2cdx n TYR 51 N 2.08 2.11 -3.48 5.64 4.01 -1.26 -4.15 117.16 122.10 2cdx n TYR 51 Ca 0.21 0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.83 2cdx n TYR 51 Cb 0.54 -2.52 -0.10 0.00 -0.31 0.00 0.00 39.34 36.95 2cdx n TYR 51 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2cdx s VAL 52 N 1.90 5.20 -0.04 -0.72 1.01 -0.06 -4.92 120.40 122.77 2cdx s VAL 52 Ca 0.86 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2cdx s VAL 52 Cb -0.78 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 2cdx s VAL 52 CO 0.46 -0.26 -0.20 0.00 0.00 0.00 0.00 175.10 175.10 2cdx n ASN 55 N 4.36 0.00 -4.03 0.00 6.94 -1.26 -1.23 115.26 120.05 2cdx n ASN 55 Ca -0.18 -0.15 -0.09 0.00 -0.02 0.00 0.00 54.58 54.13 2cdx n ASN 55 Cb 0.51 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.87 2cdx n ASN 55 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2cdx s THR 56 N 0.80 0.00 -0.01 5.53 -1.32 -1.09 -4.71 115.64 114.83 2cdx s THR 56 Ca 0.00 -1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 58.69 2cdx s THR 56 Cb 0.00 -2.24 -0.08 0.00 -1.51 0.00 0.00 72.50 68.67 2cdx s THR 56 CO 0.00 0.00 1.91 -1.81 -2.21 0.00 0.00 174.62 172.51 2cdx s ASP 57 N -3.04 6.41 -1.37 8.08 1.01 -1.26 -3.23 116.67 123.26 2cdx s ASP 57 Ca 0.25 2.47 0.00 0.00 0.71 0.00 0.00 52.55 55.98 2cdx s ASP 57 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2cdx s ASP 57 CO 0.09 -1.11 0.00 0.54 0.21 0.00 0.00 175.17 174.90 2cdx n ARG 58 N 7.57 -1.08 0.10 8.23 1.74 0.39 -4.96 116.66 128.65 2cdx n ARG 58 Ca 0.20 0.94 0.02 0.00 -0.77 0.00 0.00 57.85 58.24 2cdx n ARG 58 Cb 0.42 -5.06 0.39 0.00 -1.02 0.00 0.00 32.46 27.19 2cdx n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11