#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 0.66 0.24 3.23 -2.85 -1.26 -2.01 119.74 117.74 1ffj s LYS 2 Ca 0.00 -0.25 0.05 0.00 -1.00 0.00 0.00 55.97 54.77 1ffj s LYS 2 Cb 0.00 -0.64 -0.02 0.00 -2.06 0.00 0.00 37.83 35.12 1ffj s LYS 2 CO 0.00 0.13 0.22 0.00 0.10 0.00 0.00 175.35 175.80 1ffj s LYS 4 N -2.92 4.02 0.26 0.00 -0.14 -1.26 -1.61 119.74 118.09 1ffj s LYS 4 Ca 0.27 0.53 -0.03 0.00 -1.36 0.00 0.00 55.97 55.38 1ffj s LYS 4 Cb 0.01 -3.14 0.06 0.00 -1.68 0.00 0.00 37.83 33.08 1ffj s LYS 4 CO 0.19 0.61 0.35 1.63 -0.76 0.00 0.00 175.35 177.38 1ffj n LYS 5 N 1.48 -0.16 -0.05 1.68 4.76 -1.07 -4.61 118.16 120.19 1ffj n LYS 5 Ca -0.10 -0.63 -0.02 0.00 -2.87 0.00 0.00 58.31 54.70 1ffj n LYS 5 Cb 0.52 -0.33 -0.01 0.00 -1.84 0.00 0.00 35.03 33.36 1ffj n LYS 5 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1ffj h LEU 6 N 0.00 -0.29 -9.51 -0.35 4.07 -1.89 -3.38 115.31 103.97 1ffj h LEU 6 Ca -0.11 0.04 -0.54 0.00 0.08 0.00 0.00 57.88 57.35 1ffj h LEU 6 Cb 0.33 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1ffj h LEU 6 CO 0.09 -0.04 0.21 -0.69 -1.08 0.00 0.00 178.44 176.93 1ffj s VAL 7 N -3.35 4.75 -0.51 1.22 1.01 -1.26 -4.60 120.40 117.67 1ffj s VAL 7 Ca -0.02 1.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.64 1ffj s VAL 7 Cb 0.01 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.08 1ffj s VAL 7 CO 0.08 0.32 2.69 -0.81 0.00 0.00 0.00 175.10 177.38 1ffj n PRO 8 N 3.05 2.03 -0.02 2.72 -0.04 -1.26 -3.47 135.00 138.00 1ffj n PRO 8 Ca -0.01 -1.17 -0.03 0.00 -0.04 0.00 0.00 63.50 62.26 1ffj n PRO 8 Cb 0.50 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 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 3.17 1.65 -4.17 1.53 4.77 -1.26 -5.08 117.00 117.61 1ffj n LEU 9 Ca 0.43 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1ffj n LEU 9 Cb 0.47 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1ffj n LEU 9 CO 0.41 0.36 -0.30 -0.36 -1.33 0.00 0.00 177.39 176.17 1ffj s PHE 10 N -2.09 0.94 0.14 -1.77 0.40 -1.23 -5.12 117.98 109.26 1ffj s PHE 10 Ca -0.04 -1.21 0.09 0.00 -0.60 0.00 0.00 56.93 55.16 1ffj s PHE 10 Cb 0.01 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 1ffj s PHE 10 CO 0.13 -0.48 -0.21 -1.54 0.70 0.00 0.00 175.22 173.81 1ffj s SER 11 N -3.08 2.82 0.02 1.36 1.04 -1.26 -2.59 113.70 112.02 1ffj s SER 11 Ca 0.25 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1ffj s SER 11 Cb 0.07 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1ffj s SER 11 CO 0.03 0.05 -0.03 -0.75 0.98 0.00 0.00 173.24 173.51 1ffj s LYS 12 N -2.38 0.32 0.15 4.02 2.20 -0.63 -4.92 119.74 118.50 1ffj s LYS 12 Ca 0.13 -0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 1ffj s LYS 12 Cb -0.08 0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1ffj s LYS 12 CO 0.06 -0.03 0.72 0.99 -0.36 0.00 0.00 175.35 176.74 1ffj s THR 13 N -1.32 4.47 0.21 3.43 2.01 -1.26 -2.23 115.64 120.95 1ffj s THR 13 Ca -0.14 1.56 -0.28 0.00 0.31 0.00 0.00 61.69 63.15 1ffj s THR 13 Cb -0.09 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1ffj s THR 13 CO -0.01 0.51 0.87 0.00 -0.69 0.00 0.00 174.62 175.30 1ffj s PRO 15 N -1.19 2.30 0.60 0.00 0.04 -1.26 -4.92 135.00 130.57 1ffj s PRO 15 Ca 0.39 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 1ffj s PRO 15 Cb -0.25 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1ffj s PRO 15 CO 0.29 -1.49 0.23 0.00 0.04 0.00 0.00 177.00 176.08 1ffj n ALA 16 N -3.36 -2.10 0.00 8.56 0.00 -1.26 -1.92 120.51 120.43 1ffj n ALA 16 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ffj n ALA 16 Cb 0.56 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 2.10 2.32 3.39 0.00 0.00 -1.26 -4.90 105.19 106.83 1ffj n GLY 17 Ca 0.09 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1ffj n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffj s LYS 18 N 0.00 3.39 -0.09 1.61 -0.14 -0.81 -4.59 119.74 119.12 1ffj s LYS 18 Ca 0.00 -1.80 0.14 0.00 -1.36 0.00 0.00 55.97 52.95 1ffj s LYS 18 Cb 0.00 -4.53 0.44 0.00 -1.68 0.00 0.00 37.83 32.05 1ffj s LYS 18 CO 0.00 -1.55 1.36 0.09 -0.76 0.00 0.00 175.35 174.49 1ffj n ASN 19 N 5.73 3.49 -4.02 2.83 4.13 -1.23 -4.38 115.26 121.81 1ffj n ASN 19 Ca 0.09 -2.47 -0.24 0.00 1.68 0.00 0.00 54.58 53.64 1ffj n ASN 19 Cb 0.46 -0.39 -0.16 0.00 -1.54 0.00 0.00 39.78 38.14 1ffj n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ffj s LEU 20 N -1.85 1.65 0.01 3.41 1.02 -0.94 -4.67 118.68 117.31 1ffj s LEU 20 Ca 0.33 -0.28 -0.15 0.00 0.02 0.00 0.00 54.13 54.05 1ffj s LEU 20 Cb 0.23 -0.79 -0.06 0.00 0.02 0.00 0.00 46.19 45.60 1ffj s LEU 20 CO 0.13 0.04 0.43 0.00 0.02 0.00 0.00 176.35 176.97 1ffj s TYR 22 N -1.06 2.12 -0.06 0.00 -0.85 -0.49 -2.29 117.35 114.72 1ffj s TYR 22 Ca 0.24 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.39 1ffj s TYR 22 Cb -0.17 -1.19 0.03 0.00 0.38 0.00 0.00 41.96 41.01 1ffj s TYR 22 CO 0.14 0.24 0.00 0.21 -1.52 0.00 0.00 175.55 174.62 1ffj s LYS 23 N -1.76 0.54 -0.23 -3.49 2.20 -0.80 -2.28 119.74 113.92 1ffj s LYS 23 Ca 0.11 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1ffj s LYS 23 Cb -0.10 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 35.33 1ffj s LYS 23 CO 0.04 -0.26 0.08 -1.64 -0.36 0.00 0.00 175.35 173.21 1ffj s MET 24 N 1.75 3.78 -0.00 4.03 -1.94 -0.57 -2.63 119.30 123.71 1ffj s MET 24 Ca 0.01 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 53.55 1ffj s MET 24 Cb -0.13 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.38 1ffj s MET 24 CO -0.04 -0.05 0.04 -0.59 -0.01 0.00 0.00 175.02 174.37 1ffj s PHE 25 N 1.26 0.07 0.46 -0.03 -0.12 -1.17 -1.96 117.98 116.50 1ffj s PHE 25 Ca 0.05 -0.15 -0.15 0.00 -0.05 0.00 0.00 56.93 56.63 1ffj s PHE 25 Cb -0.15 -0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.10 1ffj s PHE 25 CO 0.04 -0.14 0.90 -1.64 -0.05 0.00 0.00 175.22 174.33 1ffj s MET 26 N -0.80 3.95 0.25 1.99 -1.94 -1.26 -2.95 119.30 118.54 1ffj s MET 26 Ca -0.09 0.83 0.17 0.00 -1.71 0.00 0.00 55.69 54.89 1ffj s MET 26 Cb -0.05 -2.23 0.91 0.00 2.01 0.00 0.00 34.83 35.47 1ffj s MET 26 CO -0.00 -0.14 1.52 0.28 -0.01 0.00 0.00 175.02 176.67 1ffj n VAL 27 N -1.28 1.24 -0.37 -6.03 0.31 -1.09 -2.62 118.33 108.48 1ffj n VAL 27 Ca 0.05 0.67 0.33 0.00 -0.01 0.00 0.00 64.34 65.38 1ffj n VAL 27 Cb 0.54 -1.66 0.56 0.00 -0.91 0.00 0.00 33.84 32.36 1ffj n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ffj n ALA 28 N -1.72 1.10 -3.00 3.52 0.00 -1.26 -4.36 120.51 114.79 1ffj n ALA 28 Ca -0.01 0.77 -0.11 0.00 0.00 0.00 0.00 53.44 54.09 1ffj n ALA 28 Cb 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 -5.07 -0.57 -0.24 0.00 0.00 -1.08 -5.03 121.76 109.77 1ffj s ALA 29 Ca -0.07 -0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.13 1ffj s ALA 29 Cb 0.27 0.25 0.88 0.00 0.00 0.00 0.00 23.12 24.52 1ffj s ALA 29 CO 0.69 -0.36 1.79 -1.00 0.00 0.00 0.00 175.76 176.88 1ffj h PRO 30 N 3.46 0.00 -1.37 0.00 0.13 -1.85 -3.35 132.00 129.02 1ffj h PRO 30 Ca -0.31 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.37 1ffj h PRO 30 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1ffj h PRO 30 CO 0.45 0.00 -0.92 1.58 -0.23 0.00 0.00 178.00 178.89 1ffj n HIS 31 N -2.95 -1.27 -3.27 1.56 -0.00 -1.26 -5.03 115.22 103.00 1ffj n HIS 31 Ca 0.03 -3.01 -0.12 0.00 0.46 0.00 0.00 57.72 55.08 1ffj n HIS 31 Cb 0.40 0.25 -0.05 0.00 -0.12 0.00 0.00 29.99 30.47 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 -0.66 -0.52 0.56 3.57 1.01 -1.26 -5.15 120.40 117.96 1ffj s VAL 32 Ca 0.34 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1ffj s VAL 32 Cb 0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1ffj s VAL 32 CO -0.15 -0.42 1.04 -2.16 0.00 0.00 0.00 175.10 173.41 1ffj s PRO 33 N 1.38 3.51 -0.14 2.72 0.04 -1.26 -4.08 135.00 137.17 1ffj s PRO 33 Ca 0.19 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1ffj s PRO 33 Cb -0.10 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1ffj s PRO 33 CO -0.05 -0.66 -0.16 1.55 0.04 0.00 0.00 177.00 177.73 1ffj n VAL 34 N -1.71 0.76 -3.93 -0.36 3.14 -0.83 -4.97 118.33 110.43 1ffj n VAL 34 Ca 0.09 -0.22 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 1ffj n VAL 34 Cb 0.53 -1.46 -0.09 0.00 -1.06 0.00 0.00 33.84 31.76 1ffj n VAL 34 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1ffj s LYS 35 N -2.26 0.69 0.25 1.45 1.02 -1.06 -4.99 119.74 114.84 1ffj s LYS 35 Ca -0.19 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 1ffj s LYS 35 Cb 0.07 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1ffj s LYS 35 CO 0.26 -0.18 0.31 1.03 -0.92 0.00 0.00 175.35 175.85 1ffj s ARG 36 N -3.30 1.47 0.00 1.68 3.00 -1.26 -1.51 118.95 119.03 1ffj s ARG 36 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 55.73 54.17 1ffj s ARG 36 Cb 0.03 0.37 0.00 0.00 0.00 0.00 0.00 34.95 35.34 1ffj s ARG 36 CO -0.08 -0.56 0.00 0.41 0.00 0.00 0.00 175.30 175.08 1ffj n GLY 37 N -0.38 -1.05 3.84 -3.53 0.00 -0.97 -4.24 105.19 98.85 1ffj n GLY 37 Ca 0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.04 0.00 -0.01 0.00 0.13 -0.46 -4.88 119.36 114.09 1ffj n ILE 39 Ca -0.08 -0.37 -0.02 0.00 -1.10 0.00 0.00 62.75 61.18 1ffj n ILE 39 Cb 0.53 0.52 -0.01 0.00 -0.84 0.00 0.00 39.64 39.84 1ffj n ILE 39 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1ffj n ASP 40 N -1.05 3.07 -4.57 9.51 5.68 -1.26 -2.22 116.55 125.70 1ffj n ASP 40 Ca -0.01 -0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.94 1ffj n ASP 40 Cb 0.40 -0.05 -0.11 0.00 -1.14 0.00 0.00 41.12 40.21 1ffj n ASP 40 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1ffj s VAL 41 N -2.06 3.68 -0.12 2.12 -7.23 -1.26 -4.80 120.40 110.74 1ffj s VAL 41 Ca -0.04 -0.48 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 1ffj s VAL 41 Cb 0.01 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1ffj s VAL 41 CO 0.06 0.59 0.18 0.00 -0.31 0.00 0.00 175.10 175.62 1ffj s PRO 43 N -0.81 2.89 0.56 0.00 0.04 -1.26 -4.99 135.00 131.43 1ffj s PRO 43 Ca 0.15 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 1ffj s PRO 43 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ffj s PRO 43 CO 0.04 -1.13 1.36 1.17 0.04 0.00 0.00 177.00 178.48 1ffj n LYS 44 N -3.15 1.61 -3.35 4.56 3.00 -1.26 -4.86 118.16 114.71 1ffj n LYS 44 Ca 0.07 0.60 -0.38 0.00 -0.00 0.00 0.00 58.31 58.60 1ffj n LYS 44 Cb 0.54 -2.58 -0.06 0.00 0.00 0.00 0.00 35.03 32.92 1ffj n LYS 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1ffj s SER 45 N -0.98 6.60 0.53 3.14 0.01 -1.26 -4.81 113.70 116.93 1ffj s SER 45 Ca 0.73 0.71 0.07 0.00 1.31 0.00 0.00 55.95 58.78 1ffj s SER 45 Cb -0.41 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1ffj s SER 45 CO 0.48 -0.01 0.49 -0.94 0.41 0.00 0.00 173.24 173.66 1ffj s SER 46 N 0.70 4.80 -0.07 2.44 1.04 -0.64 -5.02 113.70 116.95 1ffj s SER 46 Ca 0.23 -1.08 -0.10 0.00 0.48 0.00 0.00 55.95 55.48 1ffj s SER 46 Cb -0.15 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 1ffj s SER 46 CO 0.09 -1.09 0.41 -0.07 0.98 0.00 0.00 173.24 173.56 1ffj h LEU 47 N 0.67 -0.23 -0.24 2.42 3.38 -2.02 -3.36 115.31 115.93 1ffj h LEU 47 Ca -0.36 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1ffj h LEU 47 Cb 1.29 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 1ffj h LEU 47 CO 0.54 0.26 -0.45 0.25 0.09 0.00 0.00 178.44 179.12 1ffj h LEU 48 N -1.05 -1.48 -8.98 1.67 5.85 -2.01 -3.42 115.31 105.88 1ffj h LEU 48 Ca -0.03 0.19 -0.67 0.00 0.84 0.00 0.00 57.88 58.20 1ffj h LEU 48 Cb 0.28 0.59 -0.20 0.00 0.37 0.00 0.00 40.66 41.71 1ffj h LEU 48 CO 0.05 -0.36 -0.84 -0.69 -0.34 0.00 0.00 178.44 176.25 1ffj s VAL 49 N -5.18 2.38 0.10 1.05 1.01 -1.26 -2.69 120.40 115.81 1ffj s VAL 49 Ca -0.12 -1.83 0.02 0.00 0.00 0.00 0.00 61.98 60.05 1ffj s VAL 49 Cb 0.06 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1ffj s VAL 49 CO 0.50 0.01 -0.08 -0.75 0.00 0.00 0.00 175.10 174.79 1ffj s LYS 50 N -2.31 0.86 0.15 2.72 2.20 -1.15 -1.63 119.74 120.58 1ffj s LYS 50 Ca 0.17 -1.30 0.05 0.00 -0.36 0.00 0.00 55.97 54.53 1ffj s LYS 50 Cb -0.09 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.86 1ffj s LYS 50 CO 0.08 0.01 -0.10 0.71 -0.36 0.00 0.00 175.35 175.69 1ffj s TYR 51 N -3.30 1.28 -0.03 4.03 2.02 -1.26 -3.07 117.35 117.02 1ffj s TYR 51 Ca 0.11 -0.75 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1ffj s TYR 51 Cb 0.03 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1ffj s TYR 51 CO -0.03 0.09 0.06 0.08 -1.57 0.00 0.00 175.55 174.18 1ffj s VAL 52 N -3.32 -0.02 0.18 0.71 1.01 -1.08 -4.92 120.40 112.96 1ffj s VAL 52 Ca 0.17 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.31 1ffj s VAL 52 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1ffj s VAL 52 CO 0.01 0.03 -0.20 0.00 0.00 0.00 0.00 175.10 174.93 1ffj n ASN 55 N 1.56 6.38 -4.03 0.00 6.94 -1.26 -1.81 115.26 123.04 1ffj n ASN 55 Ca -0.12 -3.57 -0.08 0.00 -0.02 0.00 0.00 54.58 50.78 1ffj n ASN 55 Cb 0.57 -1.09 -0.11 0.00 -2.36 0.00 0.00 39.78 36.79 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 -3.65 0.17 0.05 5.53 -4.23 -1.26 -5.05 115.64 107.20 1ffj s THR 56 Ca 0.37 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 1ffj s THR 56 Cb 0.15 -0.82 -0.08 0.00 1.34 0.00 0.00 72.50 73.09 1ffj s THR 56 CO -0.04 -0.72 1.63 -1.81 -0.54 0.00 0.00 174.62 173.15 1ffj s ASP 57 N -2.10 6.64 -1.21 3.99 1.01 -1.26 -2.51 116.67 121.21 1ffj s ASP 57 Ca -0.06 2.42 -0.03 0.00 0.71 0.00 0.00 52.55 55.59 1ffj s ASP 57 Cb -0.02 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1ffj s ASP 57 CO -0.05 -0.87 0.84 0.29 0.21 0.00 0.00 175.17 175.58 1ffj n LYS 58 N 5.77 -4.66 -0.08 8.23 5.02 -0.85 -4.92 118.16 126.67 1ffj n LYS 58 Ca 0.16 0.72 -0.23 0.00 -2.02 0.00 0.00 58.31 56.94 1ffj n LYS 58 Cb 0.41 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 29.89 1ffj n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88