#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 0.68 0.12 1.96 -2.85 -1.26 -0.78 119.74 117.60 2ccx s LYS 2 Ca 0.00 -0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 54.67 2ccx s LYS 2 Cb 0.00 0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2ccx s LYS 2 CO 0.00 -0.19 0.23 0.00 0.10 0.00 0.00 175.35 175.50 2ccx s ASN 4 N -2.90 4.45 0.16 0.00 0.01 -1.26 -2.99 114.94 112.41 2ccx s ASN 4 Ca 0.10 1.77 0.08 0.00 -0.71 0.00 0.00 52.86 54.10 2ccx s ASN 4 Cb 0.04 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2ccx s ASN 4 CO -0.07 -2.06 -0.17 -1.10 -1.51 0.00 0.00 177.10 172.19 2ccx s GLN 5 N -4.92 1.26 1.55 -0.60 -0.21 -0.93 -4.53 119.66 111.28 2ccx s GLN 5 Ca 0.61 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2ccx s GLN 5 Cb -0.17 -1.27 0.00 0.00 1.00 0.00 0.00 33.01 32.57 2ccx s GLN 5 CO 0.56 0.25 0.00 1.28 -2.12 0.00 0.00 175.29 175.26 2ccx n LEU 6 N 0.25 0.00 -0.06 2.90 4.77 -1.26 -3.99 117.00 119.61 2ccx n LEU 6 Ca -0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 2ccx n LEU 6 Cb 0.57 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 2ccx n LEU 6 CO 0.29 0.00 0.13 0.40 -1.33 0.00 0.00 177.39 176.88 2ccx h ILE 7 N 0.00 0.88 -4.03 -0.08 1.08 -1.96 -3.48 117.51 109.91 2ccx h ILE 7 Ca 0.00 -1.69 -0.48 0.00 -0.39 0.00 0.00 64.86 62.30 2ccx h ILE 7 Cb 0.00 1.69 0.15 0.00 -3.07 0.00 0.00 36.82 35.59 2ccx h ILE 7 CO 0.00 0.30 0.23 -2.16 -0.69 0.00 0.00 178.15 175.83 2ccx s PRO 8 N -1.94 1.08 0.33 2.37 0.04 -1.26 -4.93 135.00 130.69 2ccx s PRO 8 Ca -0.11 0.82 0.26 0.00 0.04 0.00 0.00 61.00 62.01 2ccx s PRO 8 Cb -0.01 -1.79 0.79 0.00 0.04 0.00 0.00 34.50 33.53 2ccx s PRO 8 CO 0.36 -2.36 1.75 -1.00 0.04 0.00 0.00 177.00 175.79 2ccx h PRO 9 N -1.64 0.00 -6.69 0.56 0.13 -1.94 -3.39 132.00 119.04 2ccx h PRO 9 Ca -0.50 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.10 2ccx h PRO 9 Cb 1.29 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.64 2ccx h PRO 9 CO 0.54 0.00 -0.77 1.97 -0.23 0.00 0.00 178.00 179.51 2ccx n PHE 10 N -2.61 -1.88 -3.68 1.56 -1.74 -1.26 -4.71 117.46 103.15 2ccx n PHE 10 Ca 0.04 0.20 -0.10 0.00 -0.56 0.00 0.00 57.45 57.03 2ccx n PHE 10 Cb 0.40 -1.73 -0.04 0.00 1.52 0.00 0.00 39.48 39.64 2ccx n PHE 10 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2ccx s TRP 11 N -2.34 -0.18 0.01 2.97 1.48 -1.26 -2.19 118.94 117.42 2ccx s TRP 11 Ca 0.55 -0.14 0.04 0.00 -1.06 0.00 0.00 56.10 55.49 2ccx s TRP 11 Cb -0.20 0.37 -0.01 0.00 -1.16 0.00 0.00 33.47 32.47 2ccx s TRP 11 CO 0.69 -0.85 -0.14 0.15 -4.06 0.00 0.00 176.95 172.75 2ccx s LYS 12 N -3.84 1.04 0.03 3.25 -0.14 -1.16 -4.95 119.74 113.96 2ccx s LYS 12 Ca 0.07 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.80 2ccx s LYS 12 Cb -0.00 -1.02 -0.05 0.00 -1.68 0.00 0.00 37.83 35.09 2ccx s LYS 12 CO -0.06 0.27 1.14 0.99 -0.76 0.00 0.00 175.35 176.93 2ccx s THR 13 N -0.49 4.27 0.21 2.17 2.01 -1.26 -3.55 115.64 119.01 2ccx s THR 13 Ca 0.04 1.63 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 2ccx s THR 13 Cb -0.06 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 2ccx s THR 13 CO 0.00 0.11 1.25 0.00 -0.69 0.00 0.00 174.62 175.30 2ccx s PRO 15 N -0.44 2.72 0.20 0.00 0.04 -1.26 -4.63 135.00 131.63 2ccx s PRO 15 Ca 0.54 1.06 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 2ccx s PRO 15 Cb -0.35 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 2ccx s PRO 15 CO 0.39 -1.28 1.73 1.17 0.04 0.00 0.00 177.00 179.06 2ccx n LYS 16 N -3.17 2.76 0.00 4.56 4.81 -1.26 -1.27 118.16 124.59 2ccx n LYS 16 Ca 0.08 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 2ccx n LYS 16 Cb 0.53 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.74 2ccx n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ccx n GLY 17 N 3.98 3.06 2.79 3.14 0.00 -1.26 -4.91 105.19 111.98 2ccx n GLY 17 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 4.30 -2.29 1.61 4.81 -0.40 -4.69 118.16 120.36 2ccx n LYS 18 Ca 0.00 -4.74 -0.27 0.00 -0.87 0.00 0.00 58.31 52.43 2ccx n LYS 18 Cb 0.00 -2.35 0.01 0.00 0.02 0.00 0.00 35.03 32.71 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 -0.17 4.99 -4.49 3.14 3.02 -1.11 -3.97 115.26 116.67 2ccx n ASN 19 Ca 0.39 -3.74 -0.35 0.00 -0.03 0.00 0.00 54.58 50.86 2ccx n ASN 19 Cb 0.33 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.91 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 -3.59 3.43 -0.32 3.41 1.43 -0.15 -4.83 118.68 118.06 2ccx s LEU 20 Ca 0.49 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.23 2ccx s LEU 20 Cb 0.41 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2ccx s LEU 20 CO -0.13 0.07 0.79 0.00 0.23 0.00 0.00 176.35 177.31 2ccx s TYR 22 N 3.02 2.82 -0.16 0.00 1.13 -1.13 -0.56 117.35 122.47 2ccx s TYR 22 Ca 0.32 -0.37 -0.05 0.00 -1.41 0.00 0.00 57.07 55.57 2ccx s TYR 22 Cb -0.14 -1.89 0.06 0.00 -1.10 0.00 0.00 41.96 38.89 2ccx s TYR 22 CO 0.14 0.12 0.08 0.21 -2.51 0.00 0.00 175.55 173.59 2ccx s LYS 23 N -4.01 0.08 -0.55 -3.49 2.20 -0.94 -3.77 119.74 109.26 2ccx s LYS 23 Ca 0.43 -0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.75 2ccx s LYS 23 Cb -0.04 -1.71 0.05 0.00 -1.51 0.00 0.00 37.83 34.61 2ccx s LYS 23 CO 0.26 -0.63 0.88 1.41 -0.36 0.00 0.00 175.35 176.91 2ccx s MET 24 N 2.13 3.28 0.44 4.03 -2.45 -0.19 -2.58 119.30 123.95 2ccx s MET 24 Ca 0.02 -0.42 0.05 0.00 -1.25 0.00 0.00 55.69 54.10 2ccx s MET 24 Cb -0.16 -4.07 -0.06 0.00 1.25 0.00 0.00 34.83 31.79 2ccx s MET 24 CO -0.08 -1.44 0.01 0.95 1.05 0.00 0.00 175.02 175.51 2ccx s THR 25 N 3.68 1.77 0.11 10.11 -4.23 -0.39 -1.01 115.64 125.67 2ccx s THR 25 Ca 0.27 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 2ccx s THR 25 Cb -0.14 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 2ccx s THR 25 CO 0.17 0.00 0.31 -0.04 -0.54 0.00 0.00 174.62 174.52 2ccx s MET 26 N -3.76 3.54 0.28 3.99 -1.94 -1.25 -0.15 119.30 120.01 2ccx s MET 26 Ca 0.27 -0.23 0.10 0.00 -1.71 0.00 0.00 55.69 54.11 2ccx s MET 26 Cb 0.07 -2.92 0.37 0.00 2.01 0.00 0.00 34.83 34.36 2ccx s MET 26 CO 0.14 0.52 1.62 0.07 -0.01 0.00 0.00 175.02 177.36 2ccx h ARG 27 N 2.91 0.03 0.00 2.03 -0.00 -1.86 -1.85 114.38 115.64 2ccx h ARG 27 Ca -0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 2ccx h ARG 27 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2ccx h ARG 27 CO 0.74 0.62 -0.70 0.00 -0.00 0.00 0.00 179.97 180.62 2ccx h ALA 28 N 1.38 0.54 0.00 0.08 0.00 -1.89 -3.42 119.26 115.96 2ccx h ALA 28 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2ccx h ALA 28 Cb 1.06 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 2ccx h ALA 28 CO 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 179.25 178.91 2ccx n ALA 29 N -1.86 -1.65 1.25 0.00 0.00 -1.23 -4.96 120.51 112.06 2ccx n ALA 29 Ca 0.03 -1.25 0.04 0.00 0.00 0.00 0.00 53.44 52.26 2ccx n ALA 29 Cb 0.45 -1.59 0.23 0.00 0.00 0.00 0.00 19.45 18.54 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 1.45 0.62 0.31 0.00 -0.04 -0.70 -0.45 135.00 136.20 2ccx n PRO 30 Ca 0.07 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.73 2ccx n PRO 30 Cb 0.65 -1.19 1.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -3.43 0.54 4.05 -1.93 -3.36 114.93 110.80 2ccx h MET 31 Ca 0.00 0.00 -0.68 0.00 -0.28 0.00 0.00 59.70 58.74 2ccx h MET 31 Cb 0.00 0.00 -0.37 0.00 -0.80 0.00 0.00 31.60 30.43 2ccx h MET 31 CO 0.00 0.02 -0.37 0.08 0.23 0.00 0.00 176.91 176.87 2ccx s VAL 32 N -4.08 3.60 -0.60 -5.77 1.01 0.41 -5.02 120.40 109.93 2ccx s VAL 32 Ca -0.03 -3.34 -0.27 0.00 0.00 0.00 0.00 61.98 58.34 2ccx s VAL 32 Cb 0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2ccx s VAL 32 CO 0.48 -0.92 1.80 -2.16 0.00 0.00 0.00 175.10 174.29 2ccx s PRO 33 N -0.51 2.74 0.05 2.72 0.04 -1.26 -3.92 135.00 134.85 2ccx s PRO 33 Ca 0.20 0.58 0.14 0.00 0.04 0.00 0.00 61.00 61.96 2ccx s PRO 33 Cb -0.17 -4.35 -0.16 0.00 0.04 0.00 0.00 34.50 29.86 2ccx s PRO 33 CO -0.06 -2.61 0.88 -0.24 0.04 0.00 0.00 177.00 175.01 2ccx h VAL 34 N 6.80 0.82 -3.13 -0.36 3.04 -1.44 -3.46 116.25 118.51 2ccx h VAL 34 Ca -0.27 -2.47 -0.18 0.00 -1.01 0.00 0.00 66.70 62.78 2ccx h VAL 34 Cb 1.15 2.32 -0.27 0.00 -2.01 0.00 0.00 31.29 32.48 2ccx h VAL 34 CO 1.21 0.47 -0.46 -0.75 -1.01 0.00 0.00 177.57 177.03 2ccx s LYS 35 N -2.77 0.25 -0.26 4.17 2.47 -1.21 -5.06 119.74 117.33 2ccx s LYS 35 Ca -0.02 0.38 -0.09 0.00 -1.56 0.00 0.00 55.97 54.68 2ccx s LYS 35 Cb 0.08 0.06 0.11 0.00 -1.46 0.00 0.00 37.83 36.62 2ccx s LYS 35 CO 0.81 -0.07 0.56 1.03 0.16 0.00 0.00 175.35 177.84 2ccx s ARG 36 N 0.46 0.48 0.00 4.03 0.52 -1.26 -1.02 118.95 122.16 2ccx s ARG 36 Ca -0.03 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2ccx s ARG 36 Cb -0.04 0.62 0.00 0.00 0.52 0.00 0.00 34.95 36.05 2ccx s ARG 36 CO -0.02 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2ccx n GLY 37 N 5.37 -0.66 3.78 -3.53 0.00 -1.25 -4.43 105.19 104.47 2ccx n GLY 37 Ca -0.11 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 0.01 -0.06 0.00 2.07 0.11 -4.91 121.20 116.85 2ccx s ILE 39 Ca 0.30 -1.91 -0.07 0.00 -1.41 0.00 0.00 60.65 57.56 2ccx s ILE 39 Cb -0.11 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 40.01 2ccx s ILE 39 CO 0.22 -0.02 0.32 0.44 -1.91 0.00 0.00 174.94 173.99 2ccx h ASP 40 N 2.58 -0.22 -3.58 4.50 3.32 -1.83 -0.34 116.42 120.85 2ccx h ASP 40 Ca -0.35 0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.21 2ccx h ASP 40 Cb 1.25 0.06 -0.18 0.00 0.22 0.00 0.00 39.33 40.68 2ccx h ASP 40 CO 0.51 0.20 -0.77 0.54 -1.72 0.00 0.00 179.24 177.99 2ccx s VAL 41 N -2.39 1.75 -0.42 -1.35 0.11 -1.26 -4.57 120.40 112.27 2ccx s VAL 41 Ca -0.04 -1.92 -0.40 0.00 -2.93 0.00 0.00 61.98 56.69 2ccx s VAL 41 Cb 0.00 -1.82 -0.15 0.00 -1.53 0.00 0.00 36.38 32.88 2ccx s VAL 41 CO 0.11 -0.36 2.13 0.00 -3.33 0.00 0.00 175.10 173.66 2ccx s PRO 43 N 5.90 2.82 -0.16 0.00 0.04 -1.26 -5.01 135.00 137.32 2ccx s PRO 43 Ca 1.14 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 2ccx s PRO 43 Cb -1.19 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2ccx s PRO 43 CO 0.59 -1.25 -0.08 0.15 0.04 0.00 0.00 177.00 176.44 2ccx s LYS 44 N -3.92 3.44 0.81 4.56 3.01 -1.26 -4.80 119.74 121.58 2ccx s LYS 44 Ca 0.69 -0.63 -0.13 0.00 -1.01 0.00 0.00 55.97 54.89 2ccx s LYS 44 Cb -0.22 -2.81 0.09 0.00 -1.01 0.00 0.00 37.83 33.88 2ccx s LYS 44 CO 0.39 0.09 1.20 -1.12 0.51 0.00 0.00 175.35 176.42 2ccx s SER 45 N 0.70 3.55 0.00 2.83 0.01 -1.26 -4.76 113.70 114.76 2ccx s SER 45 Ca -0.04 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.56 2ccx s SER 45 Cb -0.15 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2ccx s SER 45 CO 0.02 -2.70 0.00 -1.54 0.41 0.00 0.00 173.24 169.44 2ccx n SER 46 N -3.38 0.00 0.04 2.44 3.41 0.59 -4.96 113.62 111.77 2ccx n SER 46 Ca 0.13 -0.56 -0.20 0.00 -0.26 0.00 0.00 58.87 57.99 2ccx n SER 46 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.72 0.00 1.04 7.12 -2.03 -3.28 115.31 118.88 2ccx h LEU 47 Ca 0.00 -0.79 -0.20 0.00 0.13 0.00 0.00 57.88 57.01 2ccx h LEU 47 Cb 0.00 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 39.88 2ccx h LEU 47 CO 0.00 1.43 -1.05 0.17 -0.13 0.00 0.00 178.44 178.86 2ccx h LEU 48 N 0.10 0.00 -7.92 2.25 -0.00 -1.99 -3.44 115.31 104.31 2ccx h LEU 48 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.45 2ccx h LEU 48 Cb 1.61 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 42.00 2ccx h LEU 48 CO 0.18 0.91 -0.75 -0.63 -0.00 0.00 0.00 178.44 178.15 2ccx s ILE 49 N -2.74 0.38 -0.25 0.15 -1.09 -1.24 -4.30 121.20 112.11 2ccx s ILE 49 Ca 0.00 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2ccx s ILE 49 Cb 0.09 -0.34 0.02 0.00 -1.58 0.00 0.00 42.46 40.66 2ccx s ILE 49 CO 0.81 0.03 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.74 2ccx s LYS 50 N -0.32 2.85 0.30 2.79 2.20 0.79 -0.30 119.74 128.06 2ccx s LYS 50 Ca -0.00 -0.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.70 2ccx s LYS 50 Cb -0.03 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2ccx s LYS 50 CO -0.00 -0.39 0.43 0.71 -0.36 0.00 0.00 175.35 175.74 2ccx s TYR 51 N 1.33 3.27 0.07 4.03 2.02 -1.26 -1.26 117.35 125.55 2ccx s TYR 51 Ca 0.00 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2ccx s TYR 51 Cb -0.17 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 2ccx s TYR 51 CO -0.04 0.16 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.40 2ccx s MET 52 N -4.11 0.70 0.06 -0.62 -1.94 -1.07 -4.76 119.30 107.56 2ccx s MET 52 Ca 0.40 -1.14 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 2ccx s MET 52 Cb -0.09 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 2ccx s MET 52 CO 0.31 -0.01 -0.10 0.00 -0.01 0.00 0.00 175.02 175.21 2ccx s ASN 55 N -3.05 0.04 -0.00 0.00 2.20 -1.26 -1.68 114.94 111.18 2ccx s ASN 55 Ca 0.16 -1.83 -0.29 0.00 -0.94 0.00 0.00 52.86 49.96 2ccx s ASN 55 Cb -0.05 0.96 0.07 0.00 -2.00 0.00 0.00 41.25 40.23 2ccx s ASN 55 CO 0.11 -0.17 0.67 0.42 -2.94 0.00 0.00 177.10 175.19 2ccx s THR 56 N 1.04 0.00 -0.12 0.54 -4.23 -1.26 -5.06 115.64 106.55 2ccx s THR 56 Ca 0.24 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2ccx s THR 56 Cb -0.05 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.73 2ccx s THR 56 CO -0.07 0.00 1.85 0.21 -0.54 0.00 0.00 174.62 176.07 2ccx s ASN 57 N -1.56 6.25 -1.36 3.99 3.84 -1.26 -2.87 114.94 121.97 2ccx s ASN 57 Ca -0.08 2.08 -0.01 0.00 0.21 0.00 0.00 52.86 55.07 2ccx s ASN 57 Cb -0.00 -2.53 -0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2ccx s ASN 57 CO 0.04 -1.29 0.54 0.29 -2.79 0.00 0.00 177.10 173.89 2ccx n LYS 58 N 7.77 -3.90 -0.04 0.43 5.02 -0.86 -4.92 118.16 121.67 2ccx n LYS 58 Ca 0.21 0.50 -0.13 0.00 -2.02 0.00 0.00 58.31 56.87 2ccx n LYS 58 Cb 0.44 -4.79 -0.11 0.00 -0.02 0.00 0.00 35.03 30.55 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88