#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 0.50 0.23 1.96 -2.85 -1.26 -0.76 119.74 117.55 2ccx s LYS 2 Ca 0.00 -0.34 -0.10 0.00 -1.00 0.00 0.00 55.97 54.53 2ccx s LYS 2 Cb 0.00 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 2ccx s LYS 2 CO 0.00 -0.12 0.39 0.00 0.10 0.00 0.00 175.35 175.72 2ccx s ASN 4 N -3.04 7.41 -0.04 0.00 0.01 0.53 -2.00 114.94 117.81 2ccx s ASN 4 Ca 0.25 1.71 -0.00 0.00 -0.71 0.00 0.00 52.86 54.10 2ccx s ASN 4 Cb 0.01 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2ccx s ASN 4 CO 0.08 0.16 0.02 -1.10 -1.51 0.00 0.00 177.10 174.75 2ccx s GLN 5 N -1.30 2.93 0.79 -0.60 -1.52 0.71 -4.88 119.66 115.79 2ccx s GLN 5 Ca 0.39 -0.49 0.00 0.00 -1.95 0.00 0.00 55.36 53.30 2ccx s GLN 5 Cb -0.23 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 2ccx s GLN 5 CO 0.27 0.67 0.00 1.28 -0.25 0.00 0.00 175.29 177.25 2ccx n LEU 6 N 1.70 0.00 0.17 2.90 4.77 -1.26 -4.15 117.00 121.12 2ccx n LEU 6 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 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 0.32 -0.32 0.57 0.40 -1.33 0.00 0.00 177.39 177.03 2ccx h ILE 7 N 0.00 0.69 -4.17 -0.08 1.08 -1.94 -3.47 117.51 109.62 2ccx h ILE 7 Ca 0.00 -0.52 -0.47 0.00 -0.39 0.00 0.00 64.86 63.48 2ccx h ILE 7 Cb 0.00 0.95 0.13 0.00 -3.07 0.00 0.00 36.82 34.83 2ccx h ILE 7 CO 0.00 0.10 0.29 -2.16 -0.69 0.00 0.00 178.15 175.69 2ccx s PRO 8 N -4.86 1.39 -1.14 2.37 0.04 -1.26 -4.88 135.00 126.66 2ccx s PRO 8 Ca -0.14 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 2ccx s PRO 8 Cb 0.02 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2ccx s PRO 8 CO 0.56 -2.08 2.14 -0.35 0.04 0.00 0.00 177.00 177.30 2ccx n PRO 9 N -3.73 2.27 -3.93 0.56 -0.04 -1.26 -4.57 135.00 124.29 2ccx n PRO 9 Ca 0.07 -2.17 -0.33 0.00 -0.04 0.00 0.00 63.50 61.02 2ccx n PRO 9 Cb 0.57 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.92 3.52 0.03 0.54 0.08 -1.26 -5.03 117.98 119.78 2ccx s PHE 10 Ca 0.52 0.34 -0.16 0.00 0.12 0.00 0.00 56.93 57.75 2ccx s PHE 10 Cb 0.14 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 2ccx s PHE 10 CO 0.00 0.64 0.36 1.67 -0.10 0.00 0.00 175.22 177.79 2ccx s TRP 11 N -1.30 -0.20 -0.10 0.36 1.48 -1.26 -0.21 118.94 117.72 2ccx s TRP 11 Ca 0.26 0.14 -0.20 0.00 -1.06 0.00 0.00 56.10 55.25 2ccx s TRP 11 Cb -0.13 0.16 0.05 0.00 -1.16 0.00 0.00 33.47 32.39 2ccx s TRP 11 CO 0.18 -0.52 0.48 0.21 -4.06 0.00 0.00 176.95 173.24 2ccx s LYS 12 N -2.35 0.73 -0.01 3.25 2.20 -0.85 -4.90 119.74 117.81 2ccx s LYS 12 Ca -0.06 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 2ccx s LYS 12 Cb -0.01 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 2ccx s LYS 12 CO -0.02 -0.17 1.24 0.99 -0.36 0.00 0.00 175.35 177.03 2ccx s THR 13 N -0.58 4.08 0.48 3.43 2.01 -1.26 -2.80 115.64 120.99 2ccx s THR 13 Ca -0.07 1.45 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 2ccx s THR 13 Cb -0.03 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 2ccx s THR 13 CO 0.04 0.03 1.20 0.00 -0.69 0.00 0.00 174.62 175.21 2ccx s PRO 15 N -2.73 2.33 0.21 0.00 0.04 -1.24 -4.73 135.00 128.87 2ccx s PRO 15 Ca 0.65 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2ccx s PRO 15 Cb -0.31 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 2ccx s PRO 15 CO 0.37 -1.49 1.42 0.21 0.04 0.00 0.00 177.00 177.55 2ccx s LYS 16 N -5.07 4.29 0.00 4.56 2.20 -1.26 -1.69 119.74 122.78 2ccx s LYS 16 Ca 0.60 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 2ccx s LYS 16 Cb -0.15 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2ccx s LYS 16 CO 0.55 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.54 2ccx n GLY 17 N 2.62 0.93 2.21 5.54 0.00 -1.26 -4.92 105.19 110.31 2ccx n GLY 17 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 0.69 -2.92 1.61 4.81 -0.68 -4.76 118.16 114.83 2ccx n LYS 18 Ca 0.00 -3.24 -0.25 0.00 -0.87 0.00 0.00 58.31 53.96 2ccx n LYS 18 Cb 0.00 -1.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 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 1.53 3.70 -4.96 3.14 3.02 -1.22 -3.73 115.26 116.74 2ccx n ASN 19 Ca 0.22 -3.52 -0.19 0.00 -0.03 0.00 0.00 54.58 51.06 2ccx n ASN 19 Cb 0.52 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -3.27 3.74 -0.12 3.41 1.43 -0.03 -4.90 118.68 118.94 2ccx s LEU 20 Ca 0.46 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2ccx s LEU 20 Cb 0.32 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2ccx s LEU 20 CO -0.13 -0.54 -0.13 0.00 0.23 0.00 0.00 176.35 175.78 2ccx s TYR 22 N 1.26 2.84 -0.25 0.00 1.13 -1.15 -0.01 117.35 121.18 2ccx s TYR 22 Ca -0.01 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.44 2ccx s TYR 22 Cb -0.14 -1.31 0.07 0.00 -1.10 0.00 0.00 41.96 39.49 2ccx s TYR 22 CO -0.05 0.56 0.03 0.21 -2.51 0.00 0.00 175.55 173.78 2ccx s LYS 23 N -3.75 0.99 -0.22 -3.49 2.20 0.23 -3.89 119.74 111.82 2ccx s LYS 23 Ca 0.33 -0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 2ccx s LYS 23 Cb -0.07 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2ccx s LYS 23 CO 0.22 -0.74 0.84 1.41 -0.36 0.00 0.00 175.35 176.72 2ccx s MET 24 N 1.61 4.22 0.19 4.03 -2.45 -1.26 -1.65 119.30 124.00 2ccx s MET 24 Ca 0.01 0.99 0.02 0.00 -1.25 0.00 0.00 55.69 55.46 2ccx s MET 24 Cb -0.18 -3.62 -0.01 0.00 1.25 0.00 0.00 34.83 32.27 2ccx s MET 24 CO -0.12 -0.46 0.21 2.41 1.05 0.00 0.00 175.02 178.10 2ccx n THR 25 N 5.10 0.00 -4.74 10.11 -1.04 0.11 -0.74 114.28 123.07 2ccx n THR 25 Ca 0.06 -1.24 -0.32 0.00 -2.04 0.00 0.00 64.05 60.50 2ccx n THR 25 Cb 0.48 0.67 -0.12 0.00 -1.82 0.00 0.00 70.33 69.53 2ccx n THR 25 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2ccx s MET 26 N -2.65 2.46 0.39 -2.82 -1.94 -1.26 0.19 119.30 113.67 2ccx s MET 26 Ca 0.20 -0.73 0.20 0.00 -1.71 0.00 0.00 55.69 53.65 2ccx s MET 26 Cb 0.00 -2.39 0.63 0.00 2.01 0.00 0.00 34.83 35.09 2ccx s MET 26 CO 0.14 0.61 1.70 0.07 -0.01 0.00 0.00 175.02 177.54 2ccx h ARG 27 N 5.04 0.00 0.00 2.03 0.11 -1.85 -2.53 114.38 117.18 2ccx h ARG 27 Ca -0.47 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.40 2ccx h ARG 27 Cb 1.16 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 2ccx h ARG 27 CO 0.51 0.32 -0.97 0.00 0.10 0.00 0.00 179.97 179.92 2ccx h ALA 28 N 1.68 0.39 -0.03 0.08 0.00 -1.90 -3.43 119.26 116.05 2ccx h ALA 28 Ca -0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 2ccx h ALA 28 Cb 0.95 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 2ccx h ALA 28 CO 0.04 1.21 -0.14 0.00 0.00 0.00 0.00 179.25 180.36 2ccx n ALA 29 N -2.36 -3.16 -0.81 0.00 0.00 -1.24 -5.05 120.51 107.89 2ccx n ALA 29 Ca -0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 2ccx n ALA 29 Cb 0.92 -2.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 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 1.66 2.29 0.05 0.00 -0.04 -0.95 -4.34 135.00 133.67 2ccx n PRO 30 Ca 0.04 -1.54 -0.21 0.00 -0.04 0.00 0.00 63.50 61.75 2ccx n PRO 30 Cb 0.68 -2.48 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 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 6.07 0.32 -5.05 0.54 4.05 -1.97 -3.45 114.93 115.44 2ccx h MET 31 Ca 0.54 -0.55 -0.67 0.00 -0.28 0.00 0.00 59.70 58.74 2ccx h MET 31 Cb 0.20 0.20 -0.32 0.00 -0.80 0.00 0.00 31.60 30.88 2ccx h MET 31 CO 1.46 1.26 -0.81 0.08 0.23 0.00 0.00 176.91 179.14 2ccx s VAL 32 N -2.47 2.57 -0.10 -5.77 1.01 -1.26 -5.09 120.40 109.29 2ccx s VAL 32 Ca -0.15 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 2ccx s VAL 32 Cb 0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2ccx s VAL 32 CO 0.83 0.50 1.54 -2.16 0.00 0.00 0.00 175.10 175.81 2ccx s PRO 33 N 1.30 4.16 -0.03 2.72 0.04 -1.26 -4.66 135.00 137.27 2ccx s PRO 33 Ca 0.04 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2ccx s PRO 33 Cb -0.14 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 2ccx s PRO 33 CO -0.08 -0.85 -0.02 0.28 0.04 0.00 0.00 177.00 176.37 2ccx h VAL 34 N 5.61 0.00 0.00 -0.36 2.07 -1.33 -3.44 116.25 118.80 2ccx h VAL 34 Ca -0.35 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2ccx h VAL 34 Cb 1.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ccx h VAL 34 CO 0.96 0.00 -0.30 0.50 0.02 0.00 0.00 177.57 178.76 2ccx h LYS 35 N -0.27 0.00 -4.33 1.57 1.63 -1.93 -3.50 116.57 109.74 2ccx h LYS 35 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ccx h LYS 35 Cb 0.05 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.62 2ccx h LYS 35 CO 0.00 0.10 -0.96 -2.13 -3.45 0.00 0.00 179.45 173.01 2ccx n ARG 36 N -4.68 -2.85 -2.31 1.90 0.00 -1.26 -4.87 116.66 102.58 2ccx n ARG 36 Ca -0.05 2.34 -0.01 0.00 -0.00 0.00 0.00 57.85 60.13 2ccx n ARG 36 Cb 0.18 -3.74 0.01 0.00 0.00 0.00 0.00 32.46 28.91 2ccx n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ccx n GLY 37 N 0.95 0.98 3.88 5.14 0.00 -1.25 -4.55 105.19 110.33 2ccx n GLY 37 Ca -0.21 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.06 0.09 -0.08 0.00 2.07 -0.97 -4.93 121.20 115.32 2ccx s ILE 39 Ca 0.48 -1.75 -0.10 0.00 -1.41 0.00 0.00 60.65 57.86 2ccx s ILE 39 Cb -0.11 -1.99 -0.08 0.00 0.13 0.00 0.00 42.46 40.42 2ccx s ILE 39 CO 0.26 -0.41 0.38 0.44 -1.91 0.00 0.00 174.94 173.70 2ccx h ASP 40 N 2.76 -0.14 -3.41 4.50 5.19 -1.86 -0.03 116.42 123.43 2ccx h ASP 40 Ca -0.34 -0.17 -0.48 0.00 -0.62 0.00 0.00 57.03 55.42 2ccx h ASP 40 Cb 1.21 0.04 -0.16 0.00 0.18 0.00 0.00 39.33 40.59 2ccx h ASP 40 CO 0.56 0.41 -0.76 0.54 -3.12 0.00 0.00 179.24 176.87 2ccx s VAL 41 N -2.35 1.75 -0.13 -1.35 0.11 -1.26 -4.52 120.40 112.65 2ccx s VAL 41 Ca -0.06 -2.04 -0.37 0.00 -2.93 0.00 0.00 61.98 56.58 2ccx s VAL 41 Cb -0.00 -1.91 -0.14 0.00 -1.53 0.00 0.00 36.38 32.80 2ccx s VAL 41 CO 0.21 -0.46 1.76 0.00 -3.33 0.00 0.00 175.10 173.28 2ccx s PRO 43 N 3.30 0.05 -0.03 0.00 0.04 -1.26 -5.08 135.00 132.03 2ccx s PRO 43 Ca 0.93 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.63 2ccx s PRO 43 Cb -0.87 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2ccx s PRO 43 CO 0.56 -3.01 -0.10 0.15 0.04 0.00 0.00 177.00 174.64 2ccx s LYS 44 N -4.82 1.11 0.30 4.56 -0.14 -1.26 -4.73 119.74 114.77 2ccx s LYS 44 Ca 0.66 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.64 2ccx s LYS 44 Cb -0.20 -1.02 -0.12 0.00 -1.68 0.00 0.00 37.83 34.81 2ccx s LYS 44 CO 0.60 0.10 1.48 0.43 -0.76 0.00 0.00 175.35 177.19 2ccx n SER 45 N 3.39 3.38 -4.31 2.83 7.64 -1.26 -4.63 113.62 120.66 2ccx n SER 45 Ca -0.19 1.17 -0.29 0.00 1.01 0.00 0.00 58.87 60.56 2ccx n SER 45 Cb 0.54 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.13 2ccx n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ccx n SER 46 N 1.62 2.36 0.06 6.43 3.41 0.27 -4.93 113.62 122.84 2ccx n SER 46 Ca 0.07 -3.22 -0.21 0.00 -0.26 0.00 0.00 58.87 55.26 2ccx n SER 46 Cb 0.36 0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.84 0.00 1.04 7.12 -2.02 -3.30 115.31 118.99 2ccx h LEU 47 Ca -0.37 -0.78 -0.23 0.00 0.13 0.00 0.00 57.88 56.62 2ccx h LEU 47 Cb 1.26 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.09 2ccx h LEU 47 CO 0.61 1.52 -1.39 0.17 -0.13 0.00 0.00 178.44 179.22 2ccx h LEU 48 N 0.26 0.00 -7.84 2.25 -0.00 -1.98 -3.44 115.31 104.57 2ccx h LEU 48 Ca -0.15 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.27 2ccx h LEU 48 Cb 1.73 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 42.05 2ccx h LEU 48 CO 0.21 0.87 -0.79 -0.63 -0.00 0.00 0.00 178.44 178.10 2ccx s ILE 49 N -2.72 0.82 -0.57 0.15 1.01 -1.24 -4.57 121.20 114.07 2ccx s ILE 49 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 2ccx s ILE 49 Cb 0.09 -0.79 0.11 0.00 0.01 0.00 0.00 42.46 41.87 2ccx s ILE 49 CO 0.81 0.29 0.64 -0.75 0.00 0.00 0.00 174.94 175.94 2ccx s LYS 50 N 0.87 3.03 0.34 2.79 2.20 0.13 -0.56 119.74 128.53 2ccx s LYS 50 Ca -0.11 -1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 53.88 2ccx s LYS 50 Cb -0.15 -4.27 -0.10 0.00 -1.51 0.00 0.00 37.83 31.80 2ccx s LYS 50 CO 0.01 -1.47 0.82 0.71 -0.36 0.00 0.00 175.35 175.06 2ccx s TYR 51 N 2.36 3.45 0.04 4.03 2.02 -1.26 0.05 117.35 128.05 2ccx s TYR 51 Ca 0.09 1.44 0.03 0.00 -0.37 0.00 0.00 57.07 58.26 2ccx s TYR 51 Cb -0.26 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.58 2ccx s TYR 51 CO 0.05 0.10 -0.08 1.41 -1.57 0.00 0.00 175.55 175.46 2ccx s MET 52 N -2.72 0.57 0.16 -0.62 1.75 -0.66 -4.24 119.30 113.53 2ccx s MET 52 Ca 0.54 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 54.34 2ccx s MET 52 Cb -0.12 -0.40 -0.04 0.00 2.84 0.00 0.00 34.83 37.11 2ccx s MET 52 CO 0.18 0.08 0.08 0.00 -0.65 0.00 0.00 175.02 174.71 2ccx s ASN 55 N -3.24 -0.14 0.00 0.00 4.22 -1.26 -1.91 114.94 112.61 2ccx s ASN 55 Ca 0.36 -2.01 -0.28 0.00 -2.14 0.00 0.00 52.86 48.79 2ccx s ASN 55 Cb 0.03 0.98 0.09 0.00 1.28 0.00 0.00 41.25 43.63 2ccx s ASN 55 CO 0.19 -0.14 0.80 0.42 -2.04 0.00 0.00 177.10 176.34 2ccx s THR 56 N 0.83 0.00 -0.30 0.54 -4.23 -1.26 -5.06 115.64 106.16 2ccx s THR 56 Ca 0.27 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.50 2ccx s THR 56 Cb -0.02 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.76 2ccx s THR 56 CO -0.09 0.00 2.28 0.59 -0.54 0.00 0.00 174.62 176.86 2ccx n ASN 57 N 0.05 2.92 -3.68 3.99 4.13 -1.26 -3.03 115.26 118.38 2ccx n ASN 57 Ca -0.12 0.05 -0.25 0.00 1.68 0.00 0.00 54.58 55.93 2ccx n ASN 57 Cb 0.61 -1.54 0.07 0.00 -1.54 0.00 0.00 39.78 37.38 2ccx n ASN 57 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ccx n LYS 58 N 8.78 -7.23 0.02 3.52 4.76 -0.37 -4.89 118.16 122.76 2ccx n LYS 58 Ca 0.33 0.76 -0.06 0.00 -2.87 0.00 0.00 58.31 56.47 2ccx n LYS 58 Cb 0.45 -5.77 0.13 0.00 -1.84 0.00 0.00 35.03 28.01 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03