#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 0.86 0.04 1.96 -2.85 -1.26 -3.31 119.74 115.18 2ccx s LYS 2 Ca 0.00 0.19 0.01 0.00 -1.00 0.00 0.00 55.97 55.17 2ccx s LYS 2 Cb 0.00 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2ccx s LYS 2 CO 0.00 -0.24 -0.05 0.00 0.10 0.00 0.00 175.35 175.16 2ccx s ASN 4 N -1.88 5.06 0.99 0.00 0.01 -0.31 -2.05 114.94 116.77 2ccx s ASN 4 Ca -0.08 1.16 0.00 0.00 -0.71 0.00 0.00 52.86 53.23 2ccx s ASN 4 Cb -0.06 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.69 2ccx s ASN 4 CO -0.02 -1.59 0.00 0.00 -1.51 0.00 0.00 177.10 173.98 2ccx n GLN 5 N -3.17 -0.25 0.00 -0.60 1.13 0.69 -4.22 117.38 110.97 2ccx n GLN 5 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2ccx n GLN 5 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2ccx n GLN 5 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2ccx n LEU 6 N 0.00 0.00 0.10 1.08 -0.00 -1.26 -4.88 117.00 112.04 2ccx n LEU 6 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2ccx n LEU 6 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2ccx n LEU 6 CO 0.00 0.00 0.43 0.40 -0.00 0.00 0.00 177.39 178.22 2ccx h ILE 7 N 0.00 0.70 -4.21 1.47 1.08 -1.97 -3.45 117.51 111.13 2ccx h ILE 7 Ca 0.00 -0.89 -0.49 0.00 -0.39 0.00 0.00 64.86 63.09 2ccx h ILE 7 Cb 0.00 1.12 0.12 0.00 -3.07 0.00 0.00 36.82 35.00 2ccx h ILE 7 CO 0.00 0.16 0.30 -2.16 -0.69 0.00 0.00 178.15 175.77 2ccx s PRO 8 N -3.82 1.79 0.00 2.37 0.04 -1.26 -4.92 135.00 129.19 2ccx s PRO 8 Ca -0.13 0.71 0.22 0.00 0.04 0.00 0.00 61.00 61.84 2ccx s PRO 8 Cb 0.01 -1.88 1.21 0.00 0.04 0.00 0.00 34.50 33.88 2ccx s PRO 8 CO 0.47 -1.85 1.69 -0.35 0.04 0.00 0.00 177.00 177.00 2ccx n PRO 9 N -3.60 0.52 -1.60 0.56 -0.04 -1.26 -4.58 135.00 125.01 2ccx n PRO 9 Ca 0.07 0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 2ccx n PRO 9 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.12 1.33 -3.95 0.54 3.72 -1.26 -4.79 117.46 111.92 2ccx n PHE 10 Ca 0.14 0.69 -0.09 0.00 -0.05 0.00 0.00 57.45 58.14 2ccx n PHE 10 Cb 0.12 -2.26 -0.09 0.00 -0.94 0.00 0.00 39.48 36.31 2ccx n PHE 10 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 2ccx s TRP 11 N -1.07 0.27 -0.06 1.38 1.48 -1.26 -0.22 118.94 119.45 2ccx s TRP 11 Ca 0.58 -0.66 -0.04 0.00 -1.06 0.00 0.00 56.10 54.92 2ccx s TRP 11 Cb -0.69 -0.18 0.02 0.00 -1.16 0.00 0.00 33.47 31.47 2ccx s TRP 11 CO 0.60 -0.41 0.15 -1.59 -4.06 0.00 0.00 176.95 171.64 2ccx s LYS 12 N -3.22 0.14 -0.32 3.25 -2.85 -0.87 -4.96 119.74 110.92 2ccx s LYS 12 Ca 0.00 0.28 -0.29 0.00 -1.00 0.00 0.00 55.97 54.96 2ccx s LYS 12 Cb 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 2ccx s LYS 12 CO -0.07 -0.08 1.53 0.99 0.10 0.00 0.00 175.35 177.81 2ccx s THR 13 N 0.55 3.80 0.39 3.79 2.01 -1.26 -2.13 115.64 122.79 2ccx s THR 13 Ca -0.04 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 62.57 2ccx s THR 13 Cb -0.05 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2ccx s THR 13 CO -0.03 -0.50 1.13 0.00 -0.69 0.00 0.00 174.62 174.53 2ccx s PRO 15 N -2.31 2.13 0.33 0.00 0.04 -1.24 -4.88 135.00 129.07 2ccx s PRO 15 Ca 0.57 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2ccx s PRO 15 Cb -0.28 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2ccx s PRO 15 CO 0.35 -1.59 1.51 0.21 0.04 0.00 0.00 177.00 177.52 2ccx s LYS 16 N -5.15 4.15 0.00 4.56 2.36 -1.26 -0.72 119.74 123.68 2ccx s LYS 16 Ca 0.61 2.52 0.00 0.00 -2.55 0.00 0.00 55.97 56.54 2ccx s LYS 16 Cb -0.14 -3.01 0.00 0.00 -1.05 0.00 0.00 37.83 33.62 2ccx s LYS 16 CO 0.54 -0.53 0.00 0.41 1.55 0.00 0.00 175.35 177.32 2ccx n GLY 17 N 1.34 2.24 3.54 5.54 0.00 -1.26 -4.94 105.19 111.64 2ccx n GLY 17 Ca 0.04 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2ccx n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ccx s LYS 18 N 0.00 3.50 -0.31 1.61 1.02 0.10 -4.35 119.74 121.32 2ccx s LYS 18 Ca 0.00 -1.06 0.19 0.00 0.02 0.00 0.00 55.97 55.11 2ccx s LYS 18 Cb 0.00 -5.05 0.47 0.00 -0.52 0.00 0.00 37.83 32.73 2ccx s LYS 18 CO 0.00 -2.11 1.03 0.09 -0.92 0.00 0.00 175.35 173.44 2ccx n ASN 19 N 8.55 1.23 -4.31 2.83 3.02 -0.94 -3.60 115.26 122.03 2ccx n ASN 19 Ca 0.25 -2.48 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 2ccx n ASN 19 Cb 0.50 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 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 -3.36 2.62 -0.31 3.41 1.43 0.72 -4.91 118.68 118.29 2ccx s LEU 20 Ca 0.26 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.70 2ccx s LEU 20 Cb 0.41 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 45.04 2ccx s LEU 20 CO 0.00 0.11 0.94 0.00 0.23 0.00 0.00 176.35 177.63 2ccx s TYR 22 N 3.29 2.74 -0.20 0.00 1.13 -1.23 -1.67 117.35 121.41 2ccx s TYR 22 Ca 0.39 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.84 2ccx s TYR 22 Cb -0.13 -1.25 0.06 0.00 -1.10 0.00 0.00 41.96 39.54 2ccx s TYR 22 CO 0.13 0.59 -0.02 0.21 -2.51 0.00 0.00 175.55 173.95 2ccx s LYS 23 N -3.46 1.21 -0.40 -3.49 2.20 0.50 -3.75 119.74 112.56 2ccx s LYS 23 Ca 0.30 -0.67 -0.25 0.00 -0.36 0.00 0.00 55.97 54.99 2ccx s LYS 23 Cb -0.07 -2.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2ccx s LYS 23 CO 0.19 -0.58 0.87 1.41 -0.36 0.00 0.00 175.35 176.88 2ccx s MET 24 N 1.62 3.70 0.37 4.03 -2.45 -1.26 -1.19 119.30 124.13 2ccx s MET 24 Ca -0.03 0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 2ccx s MET 24 Cb -0.17 -3.85 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 2ccx s MET 24 CO -0.07 -1.00 0.10 0.95 1.05 0.00 0.00 175.02 176.05 2ccx s THR 25 N 3.41 0.79 0.00 10.11 -4.23 0.40 -2.37 115.64 123.76 2ccx s THR 25 Ca 0.35 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2ccx s THR 25 Cb -0.12 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 2ccx s THR 25 CO 0.20 0.00 0.35 -0.04 -0.54 0.00 0.00 174.62 174.60 2ccx s MET 26 N -3.80 3.77 0.13 3.99 -1.94 -1.26 -0.31 119.30 119.88 2ccx s MET 26 Ca 0.28 0.22 -0.08 0.00 -1.71 0.00 0.00 55.69 54.41 2ccx s MET 26 Cb 0.05 -3.14 -0.09 0.00 2.01 0.00 0.00 34.83 33.65 2ccx s MET 26 CO 0.15 0.67 1.33 -0.09 -0.01 0.00 0.00 175.02 177.06 2ccx h ARG 27 N 4.42 0.62 -0.31 2.03 1.12 -1.01 -2.89 114.38 118.36 2ccx h ARG 27 Ca -0.51 -0.54 -0.06 0.00 -1.11 0.00 0.00 59.98 57.75 2ccx h ARG 27 Cb 1.21 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.28 2ccx h ARG 27 CO 0.63 1.16 -0.07 0.00 -3.11 0.00 0.00 179.97 178.58 2ccx h ALA 28 N 0.68 1.31 -0.10 2.80 0.00 -1.79 -3.42 119.26 118.75 2ccx h ALA 28 Ca -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2ccx h ALA 28 Cb 1.43 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 2ccx h ALA 28 CO 0.16 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 2ccx n ALA 29 N -2.48 -3.52 -0.87 0.00 0.00 -1.25 -5.05 120.51 107.34 2ccx n ALA 29 Ca 0.01 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 2ccx n ALA 29 Cb 0.29 -3.13 -0.02 0.00 0.00 0.00 0.00 19.45 16.59 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 1.99 2.11 0.06 0.00 -0.04 -1.09 -4.29 135.00 133.75 2ccx n PRO 30 Ca 0.06 -1.60 -0.23 0.00 -0.04 0.00 0.00 63.50 61.69 2ccx n PRO 30 Cb 0.68 -2.57 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 2ccx n PRO 30 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2ccx h MET 31 N 6.48 0.37 -5.20 0.54 4.05 -1.97 -3.47 114.93 115.74 2ccx h MET 31 Ca 0.51 -0.64 -0.62 0.00 -0.28 0.00 0.00 59.70 58.67 2ccx h MET 31 Cb 0.26 0.24 -0.17 0.00 -0.80 0.00 0.00 31.60 31.13 2ccx h MET 31 CO 1.57 1.31 -0.57 0.08 0.23 0.00 0.00 176.91 179.52 2ccx s VAL 32 N -2.55 4.71 -0.27 -5.77 1.01 -1.26 -5.06 120.40 111.21 2ccx s VAL 32 Ca -0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2ccx s VAL 32 Cb 0.05 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2ccx s VAL 32 CO 0.84 0.43 1.55 -2.16 0.00 0.00 0.00 175.10 175.76 2ccx s PRO 33 N 0.66 3.74 -0.05 2.72 0.04 -1.26 -4.60 135.00 136.26 2ccx s PRO 33 Ca 0.03 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2ccx s PRO 33 Cb -0.13 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.38 2ccx s PRO 33 CO 0.02 -1.35 -0.04 0.28 0.04 0.00 0.00 177.00 175.94 2ccx h VAL 34 N 6.22 0.00 0.00 -0.36 2.07 -1.87 -3.47 116.25 118.84 2ccx h VAL 34 Ca -0.32 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2ccx h VAL 34 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2ccx h VAL 34 CO 1.02 0.00 -0.00 1.17 0.02 0.00 0.00 177.57 179.78 2ccx n LYS 35 N -3.25 0.00 -1.24 1.57 3.00 -1.25 -5.01 118.16 111.98 2ccx n LYS 35 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.45 2ccx n LYS 35 Cb 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 35.03 34.94 2ccx n LYS 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ccx n ARG 36 N -2.67 -2.74 0.00 1.64 1.74 -1.26 -4.50 116.66 108.88 2ccx n ARG 36 Ca -0.00 2.10 0.00 0.00 -0.77 0.00 0.00 57.85 59.18 2ccx n ARG 36 Cb 0.00 -3.25 0.00 0.00 -1.02 0.00 0.00 32.46 28.20 2ccx n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ccx n GLY 37 N -4.05 0.08 3.43 -0.13 0.00 -1.25 -4.94 105.19 98.34 2ccx n GLY 37 Ca -0.05 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.25 0.06 -0.06 0.00 2.07 0.75 -4.92 121.20 117.85 2ccx s ILE 39 Ca 0.17 -1.90 -0.08 0.00 -1.41 0.00 0.00 60.65 57.42 2ccx s ILE 39 Cb -0.10 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.26 2ccx s ILE 39 CO 0.08 -0.29 0.37 -0.78 -1.91 0.00 0.00 174.94 172.41 2ccx h ASP 40 N 2.76 -0.26 -3.42 4.50 1.82 -1.86 0.22 116.42 120.17 2ccx h ASP 40 Ca -0.35 0.01 -0.53 0.00 -0.39 0.00 0.00 57.03 55.77 2ccx h ASP 40 Cb 1.22 0.07 -0.17 0.00 0.68 0.00 0.00 39.33 41.12 2ccx h ASP 40 CO 0.56 0.17 -0.78 0.54 -1.61 0.00 0.00 179.24 178.12 2ccx s VAL 41 N -2.53 1.89 -0.40 2.25 0.11 -1.26 -4.43 120.40 116.03 2ccx s VAL 41 Ca -0.04 -1.98 -0.41 0.00 -2.93 0.00 0.00 61.98 56.62 2ccx s VAL 41 Cb 0.00 -1.91 -0.16 0.00 -1.53 0.00 0.00 36.38 32.79 2ccx s VAL 41 CO 0.13 -0.33 1.95 0.00 -3.33 0.00 0.00 175.10 173.52 2ccx s PRO 43 N 4.86 4.52 -0.18 0.00 0.04 -1.26 -5.01 135.00 137.97 2ccx s PRO 43 Ca 1.09 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 64.00 2ccx s PRO 43 Cb -1.21 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2ccx s PRO 43 CO 0.64 0.04 0.10 0.21 0.04 0.00 0.00 177.00 178.03 2ccx s LYS 44 N -1.43 3.97 0.44 4.56 2.36 -1.26 -4.73 119.74 123.65 2ccx s LYS 44 Ca 0.47 -0.26 -0.24 0.00 -2.55 0.00 0.00 55.97 53.39 2ccx s LYS 44 Cb -0.35 -3.29 -0.08 0.00 -1.05 0.00 0.00 37.83 33.06 2ccx s LYS 44 CO 0.45 0.37 1.19 -1.12 1.55 0.00 0.00 175.35 177.79 2ccx s SER 45 N 0.12 6.27 0.46 1.43 0.01 -1.26 -4.69 113.70 116.04 2ccx s SER 45 Ca 0.07 2.37 0.07 0.00 1.31 0.00 0.00 55.95 59.77 2ccx s SER 45 Cb -0.12 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.57 2ccx s SER 45 CO -0.00 -0.85 0.55 -1.54 0.41 0.00 0.00 173.24 171.81 2ccx n SER 46 N -0.26 1.94 0.01 2.44 3.41 0.17 -4.95 113.62 116.38 2ccx n SER 46 Ca 0.06 -2.34 -0.18 0.00 -0.26 0.00 0.00 58.87 56.15 2ccx n SER 46 Cb 0.47 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.48 0.02 1.04 7.12 -2.03 -3.33 115.31 118.61 2ccx h LEU 47 Ca -0.24 -0.80 -0.31 0.00 0.13 0.00 0.00 57.88 56.66 2ccx h LEU 47 Cb 1.02 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.96 2ccx h LEU 47 CO 0.35 1.23 -1.81 0.00 -0.13 0.00 0.00 178.44 178.08 2ccx n LEU 48 N -4.24 1.20 -4.14 2.25 -0.00 -1.26 -4.63 117.00 106.18 2ccx n LEU 48 Ca -0.11 0.35 -0.32 0.00 -0.00 0.00 0.00 56.01 55.93 2ccx n LEU 48 Cb 0.68 -0.08 -0.16 0.00 -0.00 0.00 0.00 43.42 43.86 2ccx n LEU 48 CO 0.46 0.49 -0.53 -0.63 -0.00 0.00 0.00 177.39 177.18 2ccx s ILE 49 N -2.58 1.94 -0.24 1.47 1.01 -1.25 -0.43 121.20 121.11 2ccx s ILE 49 Ca -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 2ccx s ILE 49 Cb 0.08 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.84 2ccx s ILE 49 CO 0.81 0.53 -0.09 -0.75 0.00 0.00 0.00 174.94 175.44 2ccx s LYS 50 N 0.94 2.78 0.31 2.79 2.20 0.58 -0.66 119.74 128.69 2ccx s LYS 50 Ca -0.05 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.35 2ccx s LYS 50 Cb -0.15 -2.91 -0.09 0.00 -1.51 0.00 0.00 37.83 33.17 2ccx s LYS 50 CO -0.04 -0.39 0.83 0.71 -0.36 0.00 0.00 175.35 176.10 2ccx s TYR 51 N 1.29 3.53 -0.05 4.03 2.02 -1.26 -0.45 117.35 126.46 2ccx s TYR 51 Ca -0.00 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.22 2ccx s TYR 51 Cb -0.16 -2.73 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 2ccx s TYR 51 CO -0.06 0.16 -0.08 1.41 -1.57 0.00 0.00 175.55 175.42 2ccx s MET 52 N -2.46 1.18 0.32 -0.62 1.75 -0.33 -4.48 119.30 114.66 2ccx s MET 52 Ca 0.51 -0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.78 2ccx s MET 52 Cb -0.14 -1.07 -0.02 0.00 2.84 0.00 0.00 34.83 36.45 2ccx s MET 52 CO 0.19 -0.04 0.46 0.00 -0.65 0.00 0.00 175.02 174.99 2ccx s ASN 55 N -3.07 0.76 -0.03 0.00 4.22 -1.26 -2.85 114.94 112.71 2ccx s ASN 55 Ca 0.15 -1.84 -0.30 0.00 -2.14 0.00 0.00 52.86 48.73 2ccx s ASN 55 Cb -0.05 0.62 0.07 0.00 1.28 0.00 0.00 41.25 43.18 2ccx s ASN 55 CO 0.08 -0.21 0.68 0.42 -2.04 0.00 0.00 177.10 176.03 2ccx s THR 56 N 1.13 0.00 -0.29 0.54 -4.23 -1.26 -5.03 115.64 106.49 2ccx s THR 56 Ca 0.21 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.41 2ccx s THR 56 Cb -0.10 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.66 2ccx s THR 56 CO -0.06 0.00 2.22 -3.20 -0.54 0.00 0.00 174.62 173.04 2ccx n ASN 57 N 0.76 2.68 -3.64 3.99 5.15 -1.26 -2.37 115.26 120.57 2ccx n ASN 57 Ca -0.18 0.28 -0.24 0.00 -0.60 0.00 0.00 54.58 53.83 2ccx n ASN 57 Cb 0.58 -1.42 0.07 0.00 -0.53 0.00 0.00 39.78 38.48 2ccx n ASN 57 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2ccx n LYS 58 N 8.51 -7.28 0.19 1.20 5.02 -0.79 -4.88 118.16 120.14 2ccx n LYS 58 Ca 0.36 0.78 0.11 0.00 -2.02 0.00 0.00 58.31 57.54 2ccx n LYS 58 Cb 0.34 -5.79 0.13 0.00 -0.02 0.00 0.00 35.03 29.69 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88