#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 0.45 0.12 1.96 -2.85 -1.26 -1.17 119.74 116.99 2ccx s LYS 2 Ca 0.00 -0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 54.70 2ccx s LYS 2 Cb 0.00 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 2ccx s LYS 2 CO 0.00 -0.10 0.31 0.00 0.10 0.00 0.00 175.35 175.66 2ccx s ASN 4 N -2.86 5.94 -0.02 0.00 0.01 0.12 -2.94 114.94 115.19 2ccx s ASN 4 Ca 0.06 1.51 0.02 0.00 -0.71 0.00 0.00 52.86 53.75 2ccx s ASN 4 Cb 0.03 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2ccx s ASN 4 CO -0.09 -1.07 -0.04 -1.10 -1.51 0.00 0.00 177.10 173.29 2ccx s GLN 5 N -5.02 2.70 0.67 -0.60 -0.21 0.15 -4.90 119.66 112.45 2ccx s GLN 5 Ca 0.57 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 55.32 2ccx s GLN 5 Cb -0.12 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.29 2ccx s GLN 5 CO 0.52 0.63 0.00 1.28 -2.12 0.00 0.00 175.29 175.60 2ccx n LEU 6 N 1.67 0.00 0.09 2.90 4.77 -1.26 -4.08 117.00 121.08 2ccx n LEU 6 Ca -0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 2ccx n LEU 6 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2ccx n LEU 6 CO 0.31 -0.01 0.46 0.40 -1.33 0.00 0.00 177.39 177.22 2ccx h ILE 7 N 0.00 0.79 -4.32 -0.08 2.04 -1.94 -3.47 117.51 110.53 2ccx h ILE 7 Ca 0.00 -0.91 -0.50 0.00 1.00 0.00 0.00 64.86 64.45 2ccx h ILE 7 Cb 0.00 1.25 0.10 0.00 -0.74 0.00 0.00 36.82 37.43 2ccx h ILE 7 CO 0.00 0.18 0.35 -2.16 0.00 0.00 0.00 178.15 176.52 2ccx s PRO 8 N -3.94 2.55 -1.11 2.37 0.04 -1.26 -4.90 135.00 128.75 2ccx s PRO 8 Ca -0.13 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.54 2ccx s PRO 8 Cb 0.01 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2ccx s PRO 8 CO 0.50 -1.34 2.03 -0.35 0.04 0.00 0.00 177.00 177.89 2ccx n PRO 9 N -3.27 2.16 -3.51 0.56 -0.04 -1.26 -4.16 135.00 125.48 2ccx n PRO 9 Ca 0.07 -2.29 -0.42 0.00 -0.04 0.00 0.00 63.50 60.82 2ccx n PRO 9 Cb 0.55 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 2ccx n PRO 9 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ccx s PHE 10 N 4.70 3.67 0.22 0.54 0.08 -1.26 -4.96 117.98 120.97 2ccx s PHE 10 Ca 0.54 -2.42 0.08 0.00 0.12 0.00 0.00 56.93 55.25 2ccx s PHE 10 Cb 0.12 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.00 2ccx s PHE 10 CO 0.04 -0.91 0.02 1.67 -0.10 0.00 0.00 175.22 175.94 2ccx s TRP 11 N -0.18 2.80 0.30 0.36 1.48 -1.26 0.32 118.94 122.76 2ccx s TRP 11 Ca 0.19 -0.17 -0.12 0.00 -1.06 0.00 0.00 56.10 54.94 2ccx s TRP 11 Cb -0.14 -1.30 0.01 0.00 -1.16 0.00 0.00 33.47 30.89 2ccx s TRP 11 CO -0.07 0.56 0.58 -1.59 -4.06 0.00 0.00 176.95 172.37 2ccx s LYS 12 N -3.34 1.80 0.16 3.25 -2.85 -1.15 -4.96 119.74 112.65 2ccx s LYS 12 Ca 0.30 -1.36 -0.26 0.00 -1.00 0.00 0.00 55.97 53.64 2ccx s LYS 12 Cb -0.08 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.13 2ccx s LYS 12 CO 0.20 -0.78 0.81 0.99 0.10 0.00 0.00 175.35 176.66 2ccx s THR 13 N -3.44 4.37 -0.02 3.79 2.01 -1.26 -3.05 115.64 118.03 2ccx s THR 13 Ca 0.21 1.77 -0.12 0.00 0.31 0.00 0.00 61.69 63.86 2ccx s THR 13 Cb -0.02 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2ccx s THR 13 CO 0.12 0.49 0.33 0.00 -0.69 0.00 0.00 174.62 174.87 2ccx s PRO 15 N -1.16 2.98 0.25 0.00 0.04 -1.26 -4.53 135.00 131.31 2ccx s PRO 15 Ca 0.22 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2ccx s PRO 15 Cb -0.15 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 2ccx s PRO 15 CO 0.11 -1.10 1.40 0.21 0.04 0.00 0.00 177.00 177.66 2ccx s LYS 16 N -4.07 4.30 0.00 4.56 2.20 -1.26 -1.73 119.74 123.75 2ccx s LYS 16 Ca 0.66 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 2ccx s LYS 16 Cb -0.19 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2ccx s LYS 16 CO 0.40 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 2ccx n GLY 17 N 2.10 2.61 2.65 5.54 0.00 -1.26 -4.89 105.19 111.94 2ccx n GLY 17 Ca 0.06 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 4.20 -2.55 1.61 4.81 -0.70 -4.60 118.16 120.93 2ccx n LYS 18 Ca 0.00 -3.53 -0.22 0.00 -0.87 0.00 0.00 58.31 53.69 2ccx n LYS 18 Cb 0.00 -2.75 0.01 0.00 0.02 0.00 0.00 35.03 32.31 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 2.57 3.76 -4.95 3.14 4.13 -1.14 -4.18 115.26 118.58 2ccx n ASN 19 Ca 0.52 -3.43 -0.20 0.00 1.68 0.00 0.00 54.58 53.15 2ccx n ASN 19 Cb 0.30 -0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 38.04 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2ccx s LEU 20 N -3.41 3.91 -0.20 3.41 1.43 0.41 -4.82 118.68 119.41 2ccx s LEU 20 Ca 0.42 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2ccx s LEU 20 Cb 0.41 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 44.04 2ccx s LEU 20 CO -0.12 -0.37 -0.15 0.00 0.23 0.00 0.00 176.35 175.94 2ccx s TYR 22 N 1.29 2.93 -0.17 0.00 -0.85 -1.14 -2.42 117.35 117.00 2ccx s TYR 22 Ca 0.00 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.36 2ccx s TYR 22 Cb -0.15 -1.32 0.06 0.00 0.38 0.00 0.00 41.96 40.93 2ccx s TYR 22 CO -0.10 0.56 0.06 0.21 -1.52 0.00 0.00 175.55 174.76 2ccx s LYS 23 N -3.72 0.38 -1.07 -3.49 2.20 -0.90 -4.06 119.74 109.08 2ccx s LYS 23 Ca 0.32 -0.21 -0.16 0.00 -0.36 0.00 0.00 55.97 55.56 2ccx s LYS 23 Cb -0.07 -1.84 0.15 0.00 -1.51 0.00 0.00 37.83 34.56 2ccx s LYS 23 CO 0.23 -0.61 1.29 1.41 -0.36 0.00 0.00 175.35 177.30 2ccx s MET 24 N 1.99 3.86 0.64 4.03 -2.45 -1.02 -1.78 119.30 124.58 2ccx s MET 24 Ca 0.01 -2.20 -0.06 0.00 -1.25 0.00 0.00 55.69 52.20 2ccx s MET 24 Cb -0.16 -4.99 0.03 0.00 1.25 0.00 0.00 34.83 30.96 2ccx s MET 24 CO -0.08 -1.77 0.94 0.95 1.05 0.00 0.00 175.02 176.12 2ccx s THR 25 N 2.09 2.97 0.30 10.11 -4.23 0.53 -1.26 115.64 126.14 2ccx s THR 25 Ca 0.38 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 2ccx s THR 25 Cb -0.04 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 2ccx s THR 25 CO -0.04 -0.23 0.46 -0.04 -0.54 0.00 0.00 174.62 174.23 2ccx s MET 26 N -5.09 3.43 -0.04 3.99 -1.94 -1.22 0.27 119.30 118.71 2ccx s MET 26 Ca 0.57 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.75 2ccx s MET 26 Cb -0.11 -2.77 -0.26 0.00 2.01 0.00 0.00 34.83 33.71 2ccx s MET 26 CO 0.44 0.26 1.01 -0.09 -0.01 0.00 0.00 175.02 176.63 2ccx h ARG 27 N 0.94 0.28 0.00 2.03 1.12 -1.67 -0.79 114.38 116.29 2ccx h ARG 27 Ca -0.50 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.02 2ccx h ARG 27 Cb 1.23 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.30 2ccx h ARG 27 CO 0.61 1.07 -0.22 0.00 -3.11 0.00 0.00 179.97 178.32 2ccx n ALA 28 N -2.59 2.75 -2.81 2.80 0.00 -1.26 -4.36 120.51 115.03 2ccx n ALA 28 Ca -0.11 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 2ccx n ALA 28 Cb 0.64 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.81 2ccx n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ccx n ALA 29 N -1.57 -0.60 1.20 0.00 0.00 -1.22 -4.95 120.51 113.36 2ccx n ALA 29 Ca 0.06 -1.74 0.04 0.00 0.00 0.00 0.00 53.44 51.80 2ccx n ALA 29 Cb 0.36 -1.20 0.23 0.00 0.00 0.00 0.00 19.45 18.85 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 1.04 0.60 0.26 0.00 -0.04 -0.31 -0.43 135.00 136.13 2ccx n PRO 30 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2ccx n PRO 30 Cb 0.65 -1.21 0.72 0.00 -0.04 0.00 0.00 33.50 33.62 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 0.00 0.00 -4.49 0.54 4.05 -1.92 -3.41 114.93 109.70 2ccx h MET 31 Ca 0.00 0.00 -0.69 0.00 -0.28 0.00 0.00 59.70 58.73 2ccx h MET 31 Cb 0.00 0.00 -0.34 0.00 -0.80 0.00 0.00 31.60 30.46 2ccx h MET 31 CO 0.00 0.10 -0.55 0.08 0.23 0.00 0.00 176.91 176.76 2ccx s VAL 32 N -4.47 3.28 -0.61 -5.77 1.01 0.43 -5.03 120.40 109.25 2ccx s VAL 32 Ca -0.04 -2.04 -0.26 0.00 0.00 0.00 0.00 61.98 59.64 2ccx s VAL 32 Cb 0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2ccx s VAL 32 CO 0.61 -0.68 1.87 -2.16 0.00 0.00 0.00 175.10 174.74 2ccx s PRO 33 N 1.14 2.61 0.22 2.72 0.04 -1.26 -3.44 135.00 137.04 2ccx s PRO 33 Ca 0.08 0.63 0.20 0.00 0.04 0.00 0.00 61.00 61.95 2ccx s PRO 33 Cb -0.23 -4.39 0.04 0.00 0.04 0.00 0.00 34.50 29.96 2ccx s PRO 33 CO -0.04 -2.75 1.15 -0.24 0.04 0.00 0.00 177.00 175.16 2ccx h VAL 34 N 6.91 0.23 -3.94 -0.36 3.04 -1.53 -3.47 116.25 117.13 2ccx h VAL 34 Ca -0.26 -1.39 -0.12 0.00 -1.01 0.00 0.00 66.70 63.92 2ccx h VAL 34 Cb 1.16 1.84 -0.16 0.00 -2.01 0.00 0.00 31.29 32.12 2ccx h VAL 34 CO 1.22 0.13 -0.55 -0.75 -1.01 0.00 0.00 177.57 176.61 2ccx s LYS 35 N -3.18 0.63 -0.16 4.17 2.47 -1.20 -5.07 119.74 117.40 2ccx s LYS 35 Ca 0.01 -0.92 -0.28 0.00 -1.56 0.00 0.00 55.97 53.22 2ccx s LYS 35 Cb 0.08 0.24 0.08 0.00 -1.46 0.00 0.00 37.83 36.77 2ccx s LYS 35 CO 0.77 -0.15 0.74 0.50 0.16 0.00 0.00 175.35 177.37 2ccx s ARG 36 N -3.16 0.90 0.00 4.03 3.00 -1.26 -2.42 118.95 120.04 2ccx s ARG 36 Ca -0.00 0.57 0.00 0.00 -1.00 0.00 0.00 55.73 55.29 2ccx s ARG 36 Cb 0.02 0.43 0.00 0.00 0.00 0.00 0.00 34.95 35.40 2ccx s ARG 36 CO -0.07 -0.21 0.00 0.41 0.00 0.00 0.00 175.30 175.43 2ccx n GLY 37 N 1.68 -0.91 3.90 8.12 0.00 -1.26 -5.05 105.19 111.68 2ccx n GLY 37 Ca -0.16 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.57 0.12 -0.10 0.00 2.07 -1.01 -4.92 121.20 115.79 2ccx s ILE 39 Ca 0.38 -1.66 -0.16 0.00 -1.41 0.00 0.00 60.65 57.79 2ccx s ILE 39 Cb -0.13 -1.82 -0.14 0.00 0.13 0.00 0.00 42.46 40.51 2ccx s ILE 39 CO 0.24 -0.53 0.54 -2.24 -1.91 0.00 0.00 174.94 171.04 2ccx h ASP 40 N 2.81 -0.07 -3.17 4.50 2.03 -1.87 0.12 116.42 120.78 2ccx h ASP 40 Ca -0.34 -0.44 -0.47 0.00 -0.73 0.00 0.00 57.03 55.04 2ccx h ASP 40 Cb 1.20 0.02 -0.15 0.00 -0.83 0.00 0.00 39.33 39.57 2ccx h ASP 40 CO 0.57 0.62 -0.74 0.54 -1.03 0.00 0.00 179.24 179.19 2ccx s VAL 41 N -2.38 1.82 -0.30 4.15 0.11 -1.26 -4.59 120.40 117.94 2ccx s VAL 41 Ca -0.10 -2.18 -0.41 0.00 -2.93 0.00 0.00 61.98 56.36 2ccx s VAL 41 Cb -0.01 -2.03 -0.16 0.00 -1.53 0.00 0.00 36.38 32.65 2ccx s VAL 41 CO 0.38 -0.54 1.74 0.00 -3.33 0.00 0.00 175.10 173.35 2ccx s PRO 43 N 3.52 4.33 0.25 0.00 0.04 -1.26 -5.00 135.00 136.88 2ccx s PRO 43 Ca 0.99 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.79 2ccx s PRO 43 Cb -1.11 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.09 2ccx s PRO 43 CO 0.67 -0.43 1.02 0.21 0.04 0.00 0.00 177.00 178.51 2ccx s LYS 44 N 1.10 4.74 0.33 4.56 2.20 -1.26 -4.72 119.74 126.68 2ccx s LYS 44 Ca 0.64 1.64 -0.28 0.00 -0.36 0.00 0.00 55.97 57.61 2ccx s LYS 44 Cb -0.36 -3.25 -0.13 0.00 -1.51 0.00 0.00 37.83 32.58 2ccx s LYS 44 CO 0.30 0.35 1.16 0.43 -0.36 0.00 0.00 175.35 177.22 2ccx n SER 45 N 1.49 2.06 -4.22 1.43 7.64 -1.25 -4.57 113.62 116.20 2ccx n SER 45 Ca -0.01 1.18 -0.25 0.00 1.01 0.00 0.00 58.87 60.80 2ccx n SER 45 Cb 0.46 -1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.18 2ccx n SER 45 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ccx s SER 46 N -0.45 2.79 0.12 6.43 1.04 -0.27 -4.94 113.70 118.42 2ccx s SER 46 Ca 0.57 -1.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 2ccx s SER 46 Cb -0.62 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 65.78 2ccx s SER 46 CO 0.61 -0.87 1.27 0.25 0.98 0.00 0.00 173.24 175.47 2ccx h LEU 47 N 1.82 0.51 0.10 2.42 7.12 -2.03 -3.30 115.31 121.95 2ccx h LEU 47 Ca -0.37 -0.44 -0.33 0.00 0.13 0.00 0.00 57.88 56.87 2ccx h LEU 47 Cb 1.27 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.22 2ccx h LEU 47 CO 0.60 1.25 -1.80 0.17 -0.13 0.00 0.00 178.44 178.54 2ccx h LEU 48 N 0.19 0.34 -8.22 2.25 -0.00 -1.99 -3.43 115.31 104.45 2ccx h LEU 48 Ca -0.09 -0.64 -0.56 0.00 -0.00 0.00 0.00 57.88 56.59 2ccx h LEU 48 Cb 1.66 -0.11 -0.31 0.00 -0.00 0.00 0.00 40.66 41.90 2ccx h LEU 48 CO 0.17 1.56 -0.84 -0.63 -0.00 0.00 0.00 178.44 178.71 2ccx s ILE 49 N -2.58 1.41 -0.46 0.15 1.01 -1.24 -1.99 121.20 117.49 2ccx s ILE 49 Ca -0.15 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 2ccx s ILE 49 Cb 0.07 -1.21 0.11 0.00 0.01 0.00 0.00 42.46 41.43 2ccx s ILE 49 CO 0.81 0.41 0.33 -0.75 0.00 0.00 0.00 174.94 175.74 2ccx s LYS 50 N 0.03 2.54 -0.12 2.79 2.47 0.14 -1.11 119.74 126.48 2ccx s LYS 50 Ca -0.04 -1.67 -0.21 0.00 -1.56 0.00 0.00 55.97 52.49 2ccx s LYS 50 Cb -0.11 -3.90 -0.03 0.00 -1.46 0.00 0.00 37.83 32.32 2ccx s LYS 50 CO 0.02 -1.13 0.62 0.71 0.16 0.00 0.00 175.35 175.73 2ccx s TYR 51 N 1.39 3.49 0.24 4.03 2.02 -1.26 -0.35 117.35 126.92 2ccx s TYR 51 Ca 0.05 1.05 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 2ccx s TYR 51 Cb -0.25 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 2ccx s TYR 51 CO 0.00 0.02 0.26 -1.64 -1.57 0.00 0.00 175.55 172.62 2ccx s MET 52 N 1.13 3.13 0.04 -0.62 -1.94 -0.73 -3.93 119.30 116.38 2ccx s MET 52 Ca 0.31 -0.93 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2ccx s MET 52 Cb -0.16 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 2ccx s MET 52 CO 0.13 0.42 -0.04 0.00 -0.01 0.00 0.00 175.02 175.52 2ccx s ASN 55 N -3.20 -0.05 -0.16 0.00 4.22 -1.26 -1.77 114.94 112.71 2ccx s ASN 55 Ca 0.18 -1.94 -0.28 0.00 -2.14 0.00 0.00 52.86 48.68 2ccx s ASN 55 Cb -0.03 0.96 0.09 0.00 1.28 0.00 0.00 41.25 43.54 2ccx s ASN 55 CO 0.07 -0.15 0.79 0.42 -2.04 0.00 0.00 177.10 176.19 2ccx s THR 56 N 0.91 0.00 0.02 0.54 -4.23 -1.26 -5.07 115.64 106.56 2ccx s THR 56 Ca 0.26 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 2ccx s THR 56 Cb -0.03 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.72 2ccx s THR 56 CO -0.08 0.00 1.93 0.20 -0.54 0.00 0.00 174.62 176.12 2ccx s ASN 57 N -0.55 6.47 -1.49 3.99 -0.87 -1.26 -1.81 114.94 119.42 2ccx s ASN 57 Ca -0.05 2.61 -0.12 0.00 -1.57 0.00 0.00 52.86 53.73 2ccx s ASN 57 Cb -0.02 -2.53 0.07 0.00 -0.02 0.00 0.00 41.25 38.75 2ccx s ASN 57 CO 0.04 -1.04 0.92 0.29 -2.57 0.00 0.00 177.10 174.73 2ccx n LYS 58 N 7.50 -5.51 0.29 -0.60 5.02 -0.08 -4.90 118.16 119.87 2ccx n LYS 58 Ca 0.20 0.64 -0.16 0.00 -2.02 0.00 0.00 58.31 56.96 2ccx n LYS 58 Cb 0.41 -5.53 -0.08 0.00 -0.02 0.00 0.00 35.03 29.81 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88