#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccx s LYS 2 N 0.00 0.40 0.50 1.96 1.02 -1.26 -3.37 119.74 118.99 2ccx s LYS 2 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.47 2ccx s LYS 2 Cb 0.00 -0.16 -0.00 0.00 -0.52 0.00 0.00 37.83 37.15 2ccx s LYS 2 CO 0.00 0.02 0.23 0.00 -0.92 0.00 0.00 175.35 174.68 2ccx s ASN 4 N -4.06 6.20 0.48 0.00 -0.87 -1.26 -0.10 114.94 115.33 2ccx s ASN 4 Ca 0.28 1.17 0.02 0.00 -1.57 0.00 0.00 52.86 52.76 2ccx s ASN 4 Cb 0.01 -2.33 0.07 0.00 -0.02 0.00 0.00 41.25 38.97 2ccx s ASN 4 CO 0.16 -0.76 0.52 0.00 -2.57 0.00 0.00 177.10 174.45 2ccx n GLN 5 N -2.54 0.44 0.00 -0.60 1.13 -1.26 -4.22 117.38 110.33 2ccx n GLN 5 Ca 0.04 -1.64 0.00 0.00 -1.94 0.00 0.00 57.00 53.46 2ccx n GLN 5 Cb 0.55 -0.28 0.00 0.00 0.11 0.00 0.00 30.24 30.62 2ccx n GLN 5 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ccx n LEU 6 N 0.00 0.00 -0.06 1.08 4.77 -1.26 -4.78 117.00 116.75 2ccx n LEU 6 Ca 0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2ccx n LEU 6 Cb 0.34 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2ccx n LEU 6 CO 0.22 0.00 0.16 0.40 -1.33 0.00 0.00 177.39 176.85 2ccx h ILE 7 N 0.00 0.88 -3.96 -0.08 1.08 -1.99 -3.48 117.51 109.96 2ccx h ILE 7 Ca 0.00 -1.67 -0.46 0.00 -0.39 0.00 0.00 64.86 62.34 2ccx h ILE 7 Cb 0.00 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2ccx h ILE 7 CO 0.00 0.30 0.35 -2.16 -0.69 0.00 0.00 178.15 175.95 2ccx s PRO 8 N -1.91 4.40 -0.88 2.37 0.04 -1.26 -4.93 135.00 132.84 2ccx s PRO 8 Ca -0.10 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2ccx s PRO 8 Cb -0.01 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 2ccx s PRO 8 CO 0.35 0.11 2.05 -0.35 0.04 0.00 0.00 177.00 179.20 2ccx n PRO 9 N 0.05 1.90 0.08 0.56 -0.04 -1.26 -4.16 135.00 132.13 2ccx n PRO 9 Ca 0.04 -1.61 0.08 0.00 -0.04 0.00 0.00 63.50 61.97 2ccx n PRO 9 Cb 0.51 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 2ccx n PRO 9 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ccx n PHE 10 N 5.35 0.89 -1.76 0.54 3.72 -1.26 -5.06 117.46 119.89 2ccx n PHE 10 Ca 0.46 0.27 0.04 0.00 -0.05 0.00 0.00 57.45 58.17 2ccx n PHE 10 Cb 0.23 -0.96 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 2ccx n PHE 10 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 2ccx n TRP 11 N -2.70 -1.99 -3.59 1.38 4.27 -1.26 -4.87 117.44 108.69 2ccx n TRP 11 Ca -0.03 0.33 -0.04 0.00 -3.89 0.00 0.00 57.50 53.88 2ccx n TRP 11 Cb 0.63 -0.53 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 2ccx n TRP 11 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2ccx s LYS 12 N -0.61 0.48 0.32 -2.67 2.20 0.86 -4.07 119.74 116.25 2ccx s LYS 12 Ca 0.00 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.55 2ccx s LYS 12 Cb 0.00 0.59 -0.10 0.00 -1.51 0.00 0.00 37.83 36.81 2ccx s LYS 12 CO 0.00 -0.28 1.23 0.99 -0.36 0.00 0.00 175.35 176.93 2ccx s THR 13 N 2.78 3.00 -0.02 3.43 2.01 -1.26 -0.55 115.64 125.03 2ccx s THR 13 Ca -0.01 0.99 -0.21 0.00 0.31 0.00 0.00 61.69 62.77 2ccx s THR 13 Cb -0.12 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2ccx s THR 13 CO -0.17 0.22 0.61 0.00 -0.69 0.00 0.00 174.62 174.59 2ccx s PRO 15 N 0.07 2.59 0.28 0.00 0.04 -1.26 -4.87 135.00 131.85 2ccx s PRO 15 Ca 0.32 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 2ccx s PRO 15 Cb -0.18 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 2ccx s PRO 15 CO 0.17 -1.38 1.30 0.21 0.04 0.00 0.00 177.00 177.34 2ccx s LYS 16 N -4.93 4.39 -0.10 4.56 2.47 -1.26 -2.46 119.74 122.41 2ccx s LYS 16 Ca 0.60 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 57.15 2ccx s LYS 16 Cb -0.16 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2ccx s LYS 16 CO 0.55 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.28 2ccx n GLY 17 N 1.42 0.45 2.43 5.54 0.00 -1.26 -4.95 105.19 108.83 2ccx n GLY 17 Ca 0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 2ccx n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ccx n LYS 18 N -2.97 1.01 -1.94 1.61 4.81 -1.03 -4.66 118.16 115.00 2ccx n LYS 18 Ca -0.01 -2.82 -0.28 0.00 -0.87 0.00 0.00 58.31 54.33 2ccx n LYS 18 Cb 0.03 -1.36 0.03 0.00 0.02 0.00 0.00 35.03 33.75 2ccx n LYS 18 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ccx n ASN 19 N 0.23 5.65 -4.99 3.14 3.02 -1.16 -3.80 115.26 117.35 2ccx n ASN 19 Ca 0.16 -3.76 -0.19 0.00 -0.03 0.00 0.00 54.58 50.76 2ccx n ASN 19 Cb 0.70 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ccx s LEU 20 N -3.67 4.00 -0.12 3.41 1.43 -0.88 -4.80 118.68 118.05 2ccx s LEU 20 Ca 0.54 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2ccx s LEU 20 Cb 0.43 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2ccx s LEU 20 CO -0.04 -0.41 -0.21 0.00 0.23 0.00 0.00 176.35 175.93 2ccx s TYR 22 N 0.47 2.68 -0.05 0.00 -0.85 -0.89 -2.42 117.35 116.30 2ccx s TYR 22 Ca -0.14 -0.24 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 2ccx s TYR 22 Cb -0.17 -1.21 0.03 0.00 0.38 0.00 0.00 41.96 40.99 2ccx s TYR 22 CO 0.06 0.61 0.01 -1.59 -1.52 0.00 0.00 175.55 173.12 2ccx s LYS 23 N -3.67 0.31 -0.24 -3.49 -2.85 -1.07 -3.52 119.74 105.22 2ccx s LYS 23 Ca 0.32 0.16 -0.18 0.00 -1.00 0.00 0.00 55.97 55.26 2ccx s LYS 23 Cb -0.06 -0.65 -0.03 0.00 -2.06 0.00 0.00 37.83 35.03 2ccx s LYS 23 CO 0.20 -0.24 0.52 1.41 0.10 0.00 0.00 175.35 177.35 2ccx s MET 24 N 1.61 4.12 0.44 1.78 -2.45 0.01 -2.69 119.30 122.11 2ccx s MET 24 Ca -0.01 0.37 0.04 0.00 -1.25 0.00 0.00 55.69 54.84 2ccx s MET 24 Cb -0.13 -3.62 -0.05 0.00 1.25 0.00 0.00 34.83 32.29 2ccx s MET 24 CO -0.03 -0.28 0.02 0.95 1.05 0.00 0.00 175.02 176.73 2ccx s THR 25 N 2.07 1.49 0.15 10.11 -4.23 0.70 -0.77 115.64 125.15 2ccx s THR 25 Ca 0.23 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 2ccx s THR 25 Cb -0.16 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 2ccx s THR 25 CO 0.09 0.00 0.35 -0.04 -0.54 0.00 0.00 174.62 174.48 2ccx s MET 26 N -3.79 3.54 0.05 3.99 -1.94 -1.26 -0.42 119.30 119.48 2ccx s MET 26 Ca 0.23 -0.26 -0.15 0.00 -1.71 0.00 0.00 55.69 53.80 2ccx s MET 26 Cb 0.06 -2.89 -0.27 0.00 2.01 0.00 0.00 34.83 33.75 2ccx s MET 26 CO 0.12 0.47 1.12 -0.09 -0.01 0.00 0.00 175.02 176.63 2ccx h ARG 27 N 2.57 0.62 0.00 2.03 1.12 -1.21 -1.79 114.38 117.73 2ccx h ARG 27 Ca -0.46 -0.76 -0.08 0.00 -1.11 0.00 0.00 59.98 57.56 2ccx h ARG 27 Cb 1.17 0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 31.36 2ccx h ARG 27 CO 0.72 1.33 -0.38 0.00 -3.11 0.00 0.00 179.97 178.53 2ccx h ALA 28 N 0.32 0.99 0.00 2.80 0.00 -1.86 -3.40 119.26 118.11 2ccx h ALA 28 Ca -0.16 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2ccx h ALA 28 Cb 1.77 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.36 2ccx h ALA 28 CO 0.21 0.48 -0.37 0.00 0.00 0.00 0.00 179.25 179.57 2ccx n ALA 29 N -2.30 -1.76 -0.82 0.00 0.00 -1.23 -5.04 120.51 109.36 2ccx n ALA 29 Ca -0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.01 2ccx n ALA 29 Cb 0.51 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2ccx n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ccx n PRO 30 N 1.30 1.97 -0.12 0.00 -0.04 -0.67 -4.15 135.00 133.30 2ccx n PRO 30 Ca 0.06 -1.54 -0.24 0.00 -0.04 0.00 0.00 63.50 61.75 2ccx n PRO 30 Cb 0.66 -2.55 -0.11 0.00 -0.04 0.00 0.00 33.50 31.46 2ccx n PRO 30 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ccx n MET 31 N 4.76 0.63 -3.80 0.54 1.56 -1.26 -4.91 117.12 114.64 2ccx n MET 31 Ca 0.45 0.26 -0.36 0.00 -0.27 0.00 0.00 57.70 57.78 2ccx n MET 31 Cb 0.18 -1.56 -0.13 0.00 2.15 0.00 0.00 33.22 33.87 2ccx n MET 31 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2ccx s VAL 32 N -2.50 3.95 -0.73 1.12 1.01 -1.26 -5.04 120.40 116.95 2ccx s VAL 32 Ca -0.35 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 2ccx s VAL 32 Cb 0.11 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2ccx s VAL 32 CO 0.57 0.32 1.85 -2.16 0.00 0.00 0.00 175.10 175.68 2ccx s PRO 33 N 1.55 2.66 0.23 2.72 0.04 -1.26 -4.51 135.00 136.43 2ccx s PRO 33 Ca 0.06 0.20 0.19 0.00 0.04 0.00 0.00 61.00 61.48 2ccx s PRO 33 Cb -0.15 -4.64 0.04 0.00 0.04 0.00 0.00 34.50 29.79 2ccx s PRO 33 CO 0.01 -2.91 1.20 -0.24 0.04 0.00 0.00 177.00 175.10 2ccx h VAL 34 N 6.97 0.39 -3.96 -0.36 3.04 -1.33 -3.46 116.25 117.54 2ccx h VAL 34 Ca -0.12 -1.64 -0.31 0.00 -1.01 0.00 0.00 66.70 63.62 2ccx h VAL 34 Cb 1.10 2.01 -0.22 0.00 -2.01 0.00 0.00 31.29 32.17 2ccx h VAL 34 CO 1.23 0.22 -0.75 -0.75 -1.01 0.00 0.00 177.57 176.51 2ccx s LYS 35 N -3.09 0.60 -0.23 4.17 2.47 -1.21 -5.00 119.74 117.44 2ccx s LYS 35 Ca 0.01 -0.76 -0.21 0.00 -1.56 0.00 0.00 55.97 53.45 2ccx s LYS 35 Cb 0.08 -0.43 0.06 0.00 -1.46 0.00 0.00 37.83 36.08 2ccx s LYS 35 CO 0.76 0.09 0.62 1.03 0.16 0.00 0.00 175.35 178.01 2ccx s ARG 36 N -1.50 0.72 0.00 4.03 0.52 -1.26 -0.81 118.95 120.65 2ccx s ARG 36 Ca -0.07 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 2ccx s ARG 36 Cb -0.09 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.73 2ccx s ARG 36 CO 0.01 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2ccx n GLY 37 N 2.75 -0.65 3.60 -3.53 0.00 -1.23 -4.99 105.19 101.14 2ccx n GLY 37 Ca -0.14 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 2ccx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccx s ILE 39 N -1.12 0.19 -0.06 0.00 2.07 -1.21 -4.94 121.20 116.13 2ccx s ILE 39 Ca 0.20 -1.63 -0.21 0.00 -1.41 0.00 0.00 60.65 57.60 2ccx s ILE 39 Cb -0.11 -1.52 -0.17 0.00 0.13 0.00 0.00 42.46 40.80 2ccx s ILE 39 CO 0.11 -0.84 0.86 -2.24 -1.91 0.00 0.00 174.94 170.93 2ccx h ASP 40 N 3.00 -0.14 -3.11 4.50 2.03 -1.83 -2.30 116.42 118.57 2ccx h ASP 40 Ca -0.34 -0.42 -0.47 0.00 -0.73 0.00 0.00 57.03 55.08 2ccx h ASP 40 Cb 1.16 0.04 -0.14 0.00 -0.83 0.00 0.00 39.33 39.56 2ccx h ASP 40 CO 0.62 0.45 -0.71 0.54 -1.03 0.00 0.00 179.24 179.11 2ccx s VAL 41 N -3.30 1.69 -0.39 4.15 0.11 -1.26 -4.64 120.40 116.75 2ccx s VAL 41 Ca -0.13 -2.18 -0.42 0.00 -2.93 0.00 0.00 61.98 56.32 2ccx s VAL 41 Cb 0.00 -2.21 -0.17 0.00 -1.53 0.00 0.00 36.38 32.48 2ccx s VAL 41 CO 0.50 -0.48 1.84 0.00 -3.33 0.00 0.00 175.10 173.64 2ccx s PRO 43 N 4.25 4.34 0.17 0.00 0.04 -1.26 -5.00 135.00 137.54 2ccx s PRO 43 Ca 1.06 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 64.16 2ccx s PRO 43 Cb -1.24 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 2ccx s PRO 43 CO 0.68 -0.31 0.47 0.15 0.04 0.00 0.00 177.00 178.03 2ccx s LYS 44 N -0.26 3.76 0.51 4.56 1.02 -1.26 -4.77 119.74 123.30 2ccx s LYS 44 Ca 0.57 0.18 -0.22 0.00 0.02 0.00 0.00 55.97 56.52 2ccx s LYS 44 Cb -0.39 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2ccx s LYS 44 CO 0.40 0.42 1.27 -1.12 -0.92 0.00 0.00 175.35 175.40 2ccx s SER 45 N -2.20 5.68 0.08 2.83 0.01 -1.26 -4.76 113.70 114.08 2ccx s SER 45 Ca 0.42 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.23 2ccx s SER 45 Cb -0.12 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 2ccx s SER 45 CO 0.21 -1.27 0.02 -1.54 0.41 0.00 0.00 173.24 171.07 2ccx n SER 46 N -0.80 1.39 0.00 2.44 3.41 0.44 -5.02 113.62 115.48 2ccx n SER 46 Ca 0.09 -1.39 -0.17 0.00 -0.26 0.00 0.00 58.87 57.13 2ccx n SER 46 Cb 0.46 0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 2ccx n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ccx h LEU 47 N 0.00 0.45 0.06 1.04 7.12 -2.03 -3.35 115.31 118.60 2ccx h LEU 47 Ca -0.06 -0.79 -0.33 0.00 0.13 0.00 0.00 57.88 56.82 2ccx h LEU 47 Cb 0.22 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.18 2ccx h LEU 47 CO 0.10 1.19 -1.88 0.00 -0.13 0.00 0.00 178.44 177.72 2ccx n LEU 48 N -4.27 1.69 -4.35 2.25 -0.00 -1.26 -4.61 117.00 106.45 2ccx n LEU 48 Ca -0.11 0.30 -0.31 0.00 -0.00 0.00 0.00 56.01 55.89 2ccx n LEU 48 Cb 0.66 -0.42 -0.15 0.00 -0.00 0.00 0.00 43.42 43.50 2ccx n LEU 48 CO 0.45 0.61 -0.55 -0.63 -0.00 0.00 0.00 177.39 177.27 2ccx s ILE 49 N -2.57 2.24 0.15 1.47 1.01 -1.26 -0.77 121.20 121.47 2ccx s ILE 49 Ca -0.13 -1.14 0.10 0.00 0.00 0.00 0.00 60.65 59.48 2ccx s ILE 49 Cb 0.07 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2ccx s ILE 49 CO 0.80 0.51 -0.23 -0.75 0.00 0.00 0.00 174.94 175.27 2ccx s LYS 50 N -0.83 1.36 0.36 2.79 2.20 0.44 -0.42 119.74 125.65 2ccx s LYS 50 Ca 0.11 -1.38 0.09 0.00 -0.36 0.00 0.00 55.97 54.42 2ccx s LYS 50 Cb -0.10 -1.67 -0.07 0.00 -1.51 0.00 0.00 37.83 34.48 2ccx s LYS 50 CO 0.00 0.37 -0.04 0.71 -0.36 0.00 0.00 175.35 176.03 2ccx s TYR 51 N -1.47 2.46 -0.07 4.03 1.51 -1.26 -0.22 117.35 122.33 2ccx s TYR 51 Ca 0.15 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2ccx s TYR 51 Cb -0.08 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2ccx s TYR 51 CO 0.07 0.52 -0.08 1.41 -1.11 0.00 0.00 175.55 176.36 2ccx s MET 52 N -3.66 1.38 0.20 -0.62 1.75 -1.10 -4.91 119.30 112.35 2ccx s MET 52 Ca 0.34 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.56 2ccx s MET 52 Cb 0.04 -1.29 -0.03 0.00 2.84 0.00 0.00 34.83 36.38 2ccx s MET 52 CO 0.18 -0.10 0.29 0.00 -0.65 0.00 0.00 175.02 174.74 2ccx s ASN 55 N -3.24 0.23 0.01 0.00 4.22 -1.26 -1.84 114.94 113.06 2ccx s ASN 55 Ca 0.19 -1.60 -0.21 0.00 -2.14 0.00 0.00 52.86 49.10 2ccx s ASN 55 Cb -0.03 0.95 0.04 0.00 1.28 0.00 0.00 41.25 43.49 2ccx s ASN 55 CO 0.07 -0.20 0.46 0.42 -2.04 0.00 0.00 177.10 175.81 2ccx s THR 56 N 1.28 0.04 -0.07 0.54 -4.23 -1.26 -5.04 115.64 106.90 2ccx s THR 56 Ca 0.20 -0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.09 2ccx s THR 56 Cb -0.09 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 2ccx s THR 56 CO -0.05 -0.18 1.64 0.21 -0.54 0.00 0.00 174.62 175.70 2ccx s ASN 57 N -1.70 6.65 -1.25 3.99 2.47 -1.26 -2.82 114.94 121.02 2ccx s ASN 57 Ca -0.08 2.18 -0.05 0.00 0.42 0.00 0.00 52.86 55.32 2ccx s ASN 57 Cb -0.02 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.24 2ccx s ASN 57 CO 0.01 -0.95 0.73 0.29 -3.72 0.00 0.00 177.10 173.46 2ccx n LYS 58 N 7.16 -3.66 0.01 0.43 5.02 0.36 -4.94 118.16 122.54 2ccx n LYS 58 Ca 0.17 0.60 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 2ccx n LYS 58 Cb 0.43 -4.97 -0.10 0.00 -0.02 0.00 0.00 35.03 30.37 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88