#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffj s LYS 2 N 0.00 0.57 0.21 3.23 2.20 -1.26 -2.14 119.74 122.54 1ffj s LYS 2 Ca 0.00 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.66 1ffj s LYS 2 Cb 0.00 -0.77 -0.00 0.00 -1.51 0.00 0.00 37.83 35.54 1ffj s LYS 2 CO 0.00 -0.18 0.04 0.00 -0.36 0.00 0.00 175.35 174.85 1ffj s LYS 4 N -2.77 3.51 0.06 0.00 1.02 -1.26 -1.74 119.74 118.56 1ffj s LYS 4 Ca 0.06 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.73 1ffj s LYS 4 Cb 0.00 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1ffj s LYS 4 CO 0.04 0.51 0.08 1.63 -0.92 0.00 0.00 175.35 176.70 1ffj n LYS 5 N -0.03 0.37 0.00 1.68 5.02 -0.94 -4.48 118.16 119.78 1ffj n LYS 5 Ca -0.04 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1ffj n LYS 5 Cb 0.52 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1ffj n LYS 5 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ffj n LEU 6 N 0.00 0.00 -4.80 -0.35 4.32 -1.25 -4.34 117.00 110.58 1ffj n LEU 6 Ca 0.01 0.83 -0.38 0.00 -0.02 0.00 0.00 56.01 56.45 1ffj n LEU 6 Cb 0.04 -0.33 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 1ffj n LEU 6 CO 0.03 -0.33 0.41 -0.69 -1.22 0.00 0.00 177.39 175.59 1ffj s VAL 7 N -2.34 4.52 -0.49 4.08 1.01 -1.26 -4.47 120.40 121.46 1ffj s VAL 7 Ca 0.00 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 1ffj s VAL 7 Cb 0.00 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 1ffj s VAL 7 CO 0.00 0.42 2.70 -0.81 0.00 0.00 0.00 175.10 177.41 1ffj n PRO 8 N 1.32 2.01 -0.02 2.72 -0.04 -1.26 -3.47 135.00 136.26 1ffj n PRO 8 Ca -0.06 -1.16 -0.03 0.00 -0.04 0.00 0.00 63.50 62.22 1ffj n PRO 8 Cb 0.50 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1ffj n PRO 8 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ffj n LEU 9 N 3.15 1.71 -4.16 1.53 4.77 -1.26 -5.07 117.00 117.68 1ffj n LEU 9 Ca 0.43 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1ffj n LEU 9 Cb 0.48 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1ffj n LEU 9 CO 0.40 0.37 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.09 1ffj s PHE 10 N -2.09 0.83 0.16 -1.77 0.40 -1.23 -5.11 117.98 109.18 1ffj s PHE 10 Ca -0.04 -0.94 0.09 0.00 -0.60 0.00 0.00 56.93 55.44 1ffj s PHE 10 Cb 0.01 -0.49 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 1ffj s PHE 10 CO 0.12 -0.19 -0.20 -1.54 0.70 0.00 0.00 175.22 174.11 1ffj s SER 11 N -3.02 2.85 0.03 1.36 1.04 -1.26 -2.21 113.70 112.48 1ffj s SER 11 Ca 0.11 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1ffj s SER 11 Cb 0.06 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1ffj s SER 11 CO -0.06 0.02 -0.04 -0.75 0.98 0.00 0.00 173.24 173.39 1ffj s LYS 12 N -2.65 0.37 0.12 4.02 2.47 -0.71 -4.90 119.74 118.46 1ffj s LYS 12 Ca 0.16 -0.68 -0.14 0.00 -1.56 0.00 0.00 55.97 53.74 1ffj s LYS 12 Cb -0.07 0.06 -0.07 0.00 -1.46 0.00 0.00 37.83 36.29 1ffj s LYS 12 CO 0.07 -0.04 0.52 0.99 0.16 0.00 0.00 175.35 177.05 1ffj s THR 13 N -1.66 4.89 -0.28 3.43 2.01 -1.26 -1.96 115.64 120.81 1ffj s THR 13 Ca -0.13 0.81 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 1ffj s THR 13 Cb -0.08 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1ffj s THR 13 CO -0.02 0.29 0.55 0.00 -0.69 0.00 0.00 174.62 174.76 1ffj s PRO 15 N 2.41 1.30 0.89 0.00 0.04 -1.26 -4.82 135.00 133.56 1ffj s PRO 15 Ca 0.22 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 1ffj s PRO 15 Cb -0.15 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1ffj s PRO 15 CO 0.10 -2.10 -0.44 0.00 0.04 0.00 0.00 177.00 174.60 1ffj n ALA 16 N -3.71 -4.44 0.00 8.56 0.00 -1.26 -1.91 120.51 117.74 1ffj n ALA 16 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ffj n ALA 16 Cb 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ffj n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffj n GLY 17 N 2.95 1.90 3.11 0.00 0.00 -1.26 -4.83 105.19 107.06 1ffj n GLY 17 Ca 0.02 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1ffj n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffj s LYS 18 N 0.00 2.70 -0.03 1.61 -2.85 -0.80 -4.30 119.74 116.07 1ffj s LYS 18 Ca 0.00 -2.60 0.14 0.00 -1.00 0.00 0.00 55.97 52.51 1ffj s LYS 18 Cb 0.00 -3.80 0.41 0.00 -2.06 0.00 0.00 37.83 32.39 1ffj s LYS 18 CO 0.00 -1.19 1.35 0.09 0.10 0.00 0.00 175.35 175.70 1ffj n ASN 19 N 3.41 3.33 -4.29 0.03 3.02 -1.21 -4.12 115.26 115.42 1ffj n ASN 19 Ca 0.09 -2.14 -0.32 0.00 -0.03 0.00 0.00 54.58 52.18 1ffj n ASN 19 Cb 0.38 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 39.07 1ffj n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ffj s LEU 20 N -1.26 2.39 -0.17 3.41 1.43 -1.01 -4.78 118.68 118.69 1ffj s LEU 20 Ca 0.31 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1ffj s LEU 20 Cb 0.18 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1ffj s LEU 20 CO 0.18 0.17 0.30 0.00 0.23 0.00 0.00 176.35 177.23 1ffj s TYR 22 N 0.65 1.61 -0.07 0.00 -0.85 -0.77 -2.05 117.35 115.88 1ffj s TYR 22 Ca 0.16 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 56.08 1ffj s TYR 22 Cb -0.13 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.46 1ffj s TYR 22 CO 0.04 0.28 0.18 -1.59 -1.52 0.00 0.00 175.55 172.94 1ffj s LYS 23 N -3.36 0.18 -0.15 -3.49 -2.85 -0.85 -2.31 119.74 106.91 1ffj s LYS 23 Ca 0.18 0.30 -0.01 0.00 -1.00 0.00 0.00 55.97 55.44 1ffj s LYS 23 Cb -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.75 1ffj s LYS 23 CO 0.05 -0.07 -0.10 -1.64 0.10 0.00 0.00 175.35 173.69 1ffj s MET 24 N 0.46 3.42 0.22 1.78 -1.94 -0.66 -2.66 119.30 119.93 1ffj s MET 24 Ca -0.03 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1ffj s MET 24 Cb -0.04 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 1ffj s MET 24 CO -0.02 0.13 0.17 -0.59 -0.01 0.00 0.00 175.02 174.69 1ffj s PHE 25 N 0.59 1.19 0.11 -0.03 -0.71 -1.18 -2.01 117.98 115.94 1ffj s PHE 25 Ca -0.06 -1.38 -0.03 0.00 -1.04 0.00 0.00 56.93 54.42 1ffj s PHE 25 Cb -0.15 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.07 1ffj s PHE 25 CO 0.03 -0.69 0.32 -1.64 -1.34 0.00 0.00 175.22 171.90 1ffj s MET 26 N -4.06 3.55 0.32 1.99 -1.94 -1.25 -3.02 119.30 114.89 1ffj s MET 26 Ca 0.38 -0.22 0.21 0.00 -1.71 0.00 0.00 55.69 54.35 1ffj s MET 26 Cb 0.06 -2.92 1.12 0.00 2.01 0.00 0.00 34.83 35.10 1ffj s MET 26 CO 0.14 0.52 1.62 1.55 -0.01 0.00 0.00 175.02 178.83 1ffj n VAL 27 N 0.16 0.98 -0.27 -6.03 3.14 -1.00 -2.54 118.33 112.77 1ffj n VAL 27 Ca -0.03 0.74 0.21 0.00 -2.96 0.00 0.00 64.34 62.29 1ffj n VAL 27 Cb 0.51 -1.74 0.39 0.00 -1.06 0.00 0.00 33.84 31.94 1ffj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ffj n ALA 28 N -1.75 0.67 -3.47 1.55 0.00 -1.26 -4.45 120.51 111.80 1ffj n ALA 28 Ca -0.01 0.86 -0.17 0.00 0.00 0.00 0.00 53.44 54.13 1ffj n ALA 28 Cb 0.07 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1ffj n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ffj s ALA 29 N -5.48 -1.55 -2.00 0.00 0.00 -1.05 -5.01 121.76 106.67 1ffj s ALA 29 Ca -0.09 1.18 0.23 0.00 0.00 0.00 0.00 51.96 53.28 1ffj s ALA 29 Cb 0.27 -0.11 1.36 0.00 0.00 0.00 0.00 23.12 24.63 1ffj s ALA 29 CO 0.65 -0.34 1.74 -0.35 0.00 0.00 0.00 175.76 177.46 1ffj n PRO 30 N 1.21 0.75 -3.07 0.00 -0.04 -1.26 -3.54 135.00 129.05 1ffj n PRO 30 Ca -0.19 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.10 1ffj n PRO 30 Cb 0.57 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1ffj n PRO 30 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ffj n HIS 31 N -0.97 -0.81 -2.86 0.54 -0.00 -1.26 -5.00 115.22 104.85 1ffj n HIS 31 Ca 0.17 -3.27 -0.05 0.00 0.46 0.00 0.00 57.72 55.02 1ffj n HIS 31 Cb 0.08 0.14 -0.00 0.00 -0.12 0.00 0.00 29.99 30.09 1ffj n HIS 31 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1ffj s VAL 32 N -1.37 -0.89 0.60 3.57 1.01 -1.23 -5.15 120.40 116.94 1ffj s VAL 32 Ca 0.35 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1ffj s VAL 32 Cb 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.53 1ffj s VAL 32 CO -0.10 -0.10 1.05 -2.16 0.00 0.00 0.00 175.10 173.79 1ffj s PRO 33 N 0.93 3.32 -0.08 2.72 0.04 -1.26 -3.76 135.00 136.90 1ffj s PRO 33 Ca 0.28 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.50 1ffj s PRO 33 Cb -0.00 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1ffj s PRO 33 CO -0.06 -0.81 -0.00 1.55 0.04 0.00 0.00 177.00 177.72 1ffj n VAL 34 N -2.20 0.51 -3.44 -0.36 3.14 -0.85 -4.95 118.33 110.19 1ffj n VAL 34 Ca 0.08 -0.29 -0.12 0.00 -2.96 0.00 0.00 64.34 61.06 1ffj n VAL 34 Cb 0.53 -0.81 -0.02 0.00 -1.06 0.00 0.00 33.84 32.48 1ffj n VAL 34 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1ffj s LYS 35 N -2.18 1.26 0.21 1.45 -2.85 -1.04 -4.94 119.74 111.66 1ffj s LYS 35 Ca -0.06 -0.49 -0.08 0.00 -1.00 0.00 0.00 55.97 54.34 1ffj s LYS 35 Cb 0.02 0.58 -0.02 0.00 -2.06 0.00 0.00 37.83 36.36 1ffj s LYS 35 CO 0.28 -0.55 0.33 1.03 0.10 0.00 0.00 175.35 176.54 1ffj s ARG 36 N -3.75 1.35 0.00 1.78 3.00 -1.26 -1.65 118.95 118.42 1ffj s ARG 36 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 55.73 54.40 1ffj s ARG 36 Cb -0.01 0.39 0.00 0.00 0.00 0.00 0.00 34.95 35.33 1ffj s ARG 36 CO -0.13 -0.51 0.00 0.41 0.00 0.00 0.00 175.30 175.07 1ffj n GLY 37 N -0.31 -1.02 3.88 -3.53 0.00 -0.98 -3.91 105.19 99.32 1ffj n GLY 37 Ca -0.02 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 1ffj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffj n ILE 39 N -1.06 0.00 -0.08 0.00 3.06 -0.46 -4.90 119.36 115.91 1ffj n ILE 39 Ca -0.08 -0.50 -0.16 0.00 -2.50 0.00 0.00 62.75 59.51 1ffj n ILE 39 Cb 0.57 0.59 -0.06 0.00 0.54 0.00 0.00 39.64 41.27 1ffj n ILE 39 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1ffj n ASP 40 N -1.18 1.54 -4.61 9.51 5.68 -1.26 -2.42 116.55 123.81 1ffj n ASP 40 Ca -0.03 0.14 -0.28 0.00 -0.50 0.00 0.00 54.79 54.11 1ffj n ASP 40 Cb 0.41 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.86 1ffj n ASP 40 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ffj s VAL 41 N -2.31 3.50 -0.04 2.12 0.11 -1.26 -4.76 120.40 117.76 1ffj s VAL 41 Ca -0.23 -1.35 -0.14 0.00 -2.93 0.00 0.00 61.98 57.33 1ffj s VAL 41 Cb 0.08 -2.69 -0.05 0.00 -1.53 0.00 0.00 36.38 32.19 1ffj s VAL 41 CO 0.31 0.01 0.38 0.00 -3.33 0.00 0.00 175.10 172.47 1ffj s PRO 43 N -0.72 2.46 0.41 0.00 0.04 -1.26 -5.00 135.00 130.94 1ffj s PRO 43 Ca 0.22 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1ffj s PRO 43 Cb -0.16 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1ffj s PRO 43 CO 0.11 -1.39 1.30 0.21 0.04 0.00 0.00 177.00 177.27 1ffj s LYS 44 N -5.11 3.96 -0.18 4.56 2.20 -1.26 -4.87 119.74 119.04 1ffj s LYS 44 Ca 0.60 2.15 -0.15 0.00 -0.36 0.00 0.00 55.97 58.20 1ffj s LYS 44 Cb -0.14 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1ffj s LYS 44 CO 0.55 -0.50 0.37 -1.12 -0.36 0.00 0.00 175.35 174.28 1ffj s SER 45 N -0.75 6.46 0.47 1.43 0.01 -1.26 -4.77 113.70 115.29 1ffj s SER 45 Ca 0.57 0.53 0.06 0.00 1.31 0.00 0.00 55.95 58.42 1ffj s SER 45 Cb -0.38 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1ffj s SER 45 CO 0.49 -0.01 0.27 -0.94 0.41 0.00 0.00 173.24 173.46 1ffj s SER 46 N 0.82 4.55 -0.03 2.44 1.04 -0.60 -5.01 113.70 116.90 1ffj s SER 46 Ca 0.19 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.27 1ffj s SER 46 Cb -0.14 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 65.83 1ffj s SER 46 CO 0.07 -0.80 0.76 -0.07 0.98 0.00 0.00 173.24 174.18 1ffj h LEU 47 N 1.11 -0.42 -0.35 2.42 3.38 -2.02 -3.33 115.31 116.10 1ffj h LEU 47 Ca -0.40 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1ffj h LEU 47 Cb 1.28 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 1ffj h LEU 47 CO 0.64 0.02 -0.43 0.25 0.09 0.00 0.00 178.44 179.01 1ffj h LEU 48 N -1.07 -1.46 -8.99 1.67 5.85 -2.00 -3.42 115.31 105.89 1ffj h LEU 48 Ca -0.05 0.19 -0.67 0.00 0.84 0.00 0.00 57.88 58.19 1ffj h LEU 48 Cb 0.47 0.60 -0.20 0.00 0.37 0.00 0.00 40.66 41.90 1ffj h LEU 48 CO 0.08 -0.30 -0.84 0.68 -0.34 0.00 0.00 178.44 177.72 1ffj s VAL 49 N -5.03 2.36 0.08 1.05 -7.23 -1.25 -2.36 120.40 108.01 1ffj s VAL 49 Ca -0.11 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1ffj s VAL 49 Cb 0.07 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1ffj s VAL 49 CO 0.47 -0.01 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.39 1ffj s LYS 50 N -2.38 0.79 0.10 4.82 2.20 -1.17 -1.55 119.74 122.55 1ffj s LYS 50 Ca 0.18 -1.01 0.07 0.00 -0.36 0.00 0.00 55.97 54.84 1ffj s LYS 50 Cb -0.09 -0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1ffj s LYS 50 CO 0.08 0.12 -0.18 0.71 -0.36 0.00 0.00 175.35 175.72 1ffj s TYR 51 N -1.80 1.56 0.02 4.03 2.02 -1.26 -3.11 117.35 118.81 1ffj s TYR 51 Ca 0.00 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1ffj s TYR 51 Cb -0.07 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1ffj s TYR 51 CO 0.01 0.17 -0.12 0.08 -1.57 0.00 0.00 175.55 174.11 1ffj s VAL 52 N -1.44 0.97 0.09 0.71 1.01 -1.09 -4.90 120.40 115.75 1ffj s VAL 52 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1ffj s VAL 52 Cb -0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1ffj s VAL 52 CO 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 175.10 175.12 1ffj n ASN 55 N -0.46 2.61 -3.75 0.00 6.94 -1.26 -1.82 115.26 117.52 1ffj n ASN 55 Ca -0.06 -3.22 -0.10 0.00 -0.02 0.00 0.00 54.58 51.18 1ffj n ASN 55 Cb 0.61 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 37.31 1ffj n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ffj s THR 56 N -2.22 0.10 0.08 5.53 -4.23 -1.26 -5.08 115.64 108.56 1ffj s THR 56 Ca 0.39 -0.79 -0.31 0.00 -1.18 0.00 0.00 61.69 59.80 1ffj s THR 56 Cb 0.17 -1.13 -0.08 0.00 1.34 0.00 0.00 72.50 72.80 1ffj s THR 56 CO -0.05 -0.44 1.55 -1.81 -0.54 0.00 0.00 174.62 173.33 1ffj s ASP 57 N -2.54 6.68 -1.24 3.99 1.01 -1.26 -2.64 116.67 120.67 1ffj s ASP 57 Ca 0.01 2.41 -0.03 0.00 0.71 0.00 0.00 52.55 55.64 1ffj s ASP 57 Cb 0.02 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1ffj s ASP 57 CO -0.08 -0.81 0.78 1.17 0.21 0.00 0.00 175.17 176.44 1ffj n LYS 58 N 5.02 -4.41 -0.08 8.23 4.81 -0.95 -4.92 118.16 125.87 1ffj n LYS 58 Ca 0.14 0.66 -0.22 0.00 -0.87 0.00 0.00 58.31 58.03 1ffj n LYS 58 Cb 0.41 -5.23 -0.12 0.00 0.02 0.00 0.00 35.03 30.11 1ffj n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57