#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 3.25 0.18 3.23 2.20 -1.26 -2.38 119.74 124.95 1ffj s LYS 2 Ca 0.00 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1ffj s LYS 2 Cb 0.00 -4.08 -0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1ffj s LYS 2 CO 0.00 -1.40 0.02 0.00 -0.36 0.00 0.00 175.35 173.60 1ffj s LYS 4 N -2.66 3.49 0.00 0.00 1.02 -1.26 -1.76 119.74 118.57 1ffj s LYS 4 Ca 0.02 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.60 1ffj s LYS 4 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1ffj s LYS 4 CO 0.02 0.48 0.00 1.63 -0.92 0.00 0.00 175.35 176.56 1ffj n LYS 5 N -0.42 0.31 0.00 1.68 5.02 -1.00 -4.69 118.16 119.05 1ffj n LYS 5 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1ffj n LYS 5 Cb 0.53 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -4.78 -0.35 4.32 -1.26 -4.38 117.00 110.55 1ffj n LEU 6 Ca 0.00 0.83 -0.39 0.00 -0.02 0.00 0.00 56.01 56.44 1ffj n LEU 6 Cb 0.00 -0.33 -0.06 0.00 -1.62 0.00 0.00 43.42 41.41 1ffj n LEU 6 CO 0.00 -0.33 0.47 -0.69 -1.22 0.00 0.00 177.39 175.62 1ffj s VAL 7 N -2.34 4.40 -0.47 4.08 1.01 -1.26 -4.46 120.40 121.37 1ffj s VAL 7 Ca 0.00 1.63 -0.06 0.00 0.00 0.00 0.00 61.98 63.55 1ffj s VAL 7 Cb 0.00 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 1ffj s VAL 7 CO 0.00 0.47 2.71 -0.81 0.00 0.00 0.00 175.10 177.46 1ffj n PRO 8 N 1.43 1.99 -0.02 2.72 -0.04 -1.26 -3.45 135.00 136.37 1ffj n PRO 8 Ca -0.05 -1.14 -0.02 0.00 -0.04 0.00 0.00 63.50 62.24 1ffj n PRO 8 Cb 0.49 -2.15 -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 3.13 1.56 -4.21 1.53 4.77 -1.26 -5.07 117.00 117.45 1ffj n LEU 9 Ca 0.43 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1ffj n LEU 9 Cb 0.49 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1ffj n LEU 9 CO 0.39 0.34 -0.35 -0.36 -1.33 0.00 0.00 177.39 176.08 1ffj s PHE 10 N -2.09 1.08 0.27 -1.77 0.40 -1.22 -5.11 117.98 109.53 1ffj s PHE 10 Ca -0.04 -0.98 0.11 0.00 -0.60 0.00 0.00 56.93 55.42 1ffj s PHE 10 Cb 0.01 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 1ffj s PHE 10 CO 0.12 -0.20 -0.17 -1.54 0.70 0.00 0.00 175.22 174.14 1ffj s SER 11 N -3.12 3.76 0.05 1.36 1.04 -1.26 -2.38 113.70 113.15 1ffj s SER 11 Ca 0.19 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 1ffj s SER 11 Cb 0.06 -0.40 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1ffj s SER 11 CO 0.01 0.04 0.23 -0.75 0.98 0.00 0.00 173.24 173.75 1ffj s LYS 12 N -3.43 0.76 -0.20 4.02 2.47 -0.72 -4.85 119.74 117.78 1ffj s LYS 12 Ca 0.29 -0.65 -0.04 0.00 -1.56 0.00 0.00 55.97 54.01 1ffj s LYS 12 Cb -0.06 0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.62 1ffj s LYS 12 CO 0.15 -0.23 -0.03 0.99 0.16 0.00 0.00 175.35 176.39 1ffj s THR 13 N -2.81 3.61 -0.04 3.43 2.01 -1.26 -2.10 115.64 118.48 1ffj s THR 13 Ca -0.03 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1ffj s THR 13 Cb 0.00 -2.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 1ffj s THR 13 CO -0.05 0.43 1.98 0.00 -0.69 0.00 0.00 174.62 176.29 1ffj s PRO 15 N 4.85 -0.24 0.81 0.00 0.04 -1.24 -4.27 135.00 134.94 1ffj s PRO 15 Ca 0.89 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 1ffj s PRO 15 Cb -0.39 -1.73 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1ffj s PRO 15 CO 0.39 -3.03 -0.21 0.00 0.04 0.00 0.00 177.00 174.19 1ffj n ALA 16 N -4.24 -3.70 0.00 8.56 0.00 -1.26 -1.92 120.51 117.95 1ffj n ALA 16 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1ffj n ALA 16 Cb 0.59 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 2.62 1.96 3.14 0.00 0.00 -1.26 -4.86 105.19 106.79 1ffj n GLY 17 Ca 0.04 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 2.32 -0.06 1.61 -2.85 -0.81 -4.41 119.74 115.54 1ffj s LYS 18 Ca 0.00 -1.34 0.09 0.00 -1.00 0.00 0.00 55.97 53.72 1ffj s LYS 18 Cb 0.00 -3.13 0.16 0.00 -2.06 0.00 0.00 37.83 32.80 1ffj s LYS 18 CO 0.00 -0.64 1.10 0.09 0.10 0.00 0.00 175.35 175.99 1ffj n ASN 19 N 4.56 2.29 -4.15 0.03 4.13 -1.21 -3.60 115.26 117.31 1ffj n ASN 19 Ca -0.12 -2.49 -0.29 0.00 1.68 0.00 0.00 54.58 53.36 1ffj n ASN 19 Cb 0.43 -0.21 -0.17 0.00 -1.54 0.00 0.00 39.78 38.29 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 1.94 -0.01 3.41 1.02 -1.01 -3.83 118.68 118.34 1ffj s LEU 20 Ca 0.16 -0.46 -0.22 0.00 0.02 0.00 0.00 54.13 53.63 1ffj s LEU 20 Cb 0.14 -1.20 -0.05 0.00 0.02 0.00 0.00 46.19 45.10 1ffj s LEU 20 CO 0.03 0.12 0.66 0.00 0.02 0.00 0.00 176.35 177.18 1ffj s TYR 22 N 0.11 1.95 -0.14 0.00 -0.85 -0.73 -1.96 117.35 115.73 1ffj s TYR 22 Ca 0.34 -0.67 -0.07 0.00 -0.52 0.00 0.00 57.07 56.15 1ffj s TYR 22 Cb -0.19 -1.08 0.05 0.00 0.38 0.00 0.00 41.96 41.13 1ffj s TYR 22 CO 0.18 0.31 0.33 -1.59 -1.52 0.00 0.00 175.55 173.27 1ffj s LYS 23 N -3.71 0.31 -0.17 -3.49 -2.85 -0.88 -2.35 119.74 106.61 1ffj s LYS 23 Ca 0.29 0.67 -0.06 0.00 -1.00 0.00 0.00 55.97 55.86 1ffj s LYS 23 Cb 0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1ffj s LYS 23 CO 0.12 -0.16 0.04 -1.64 0.10 0.00 0.00 175.35 173.81 1ffj s MET 24 N 1.33 3.83 -0.02 1.78 -1.94 -0.89 -2.82 119.30 120.57 1ffj s MET 24 Ca -0.09 -0.37 -0.13 0.00 -1.71 0.00 0.00 55.69 53.39 1ffj s MET 24 Cb -0.09 -3.13 0.02 0.00 2.01 0.00 0.00 34.83 33.64 1ffj s MET 24 CO -0.11 0.33 0.28 -0.59 -0.01 0.00 0.00 175.02 174.92 1ffj s PHE 25 N 0.20 -0.16 0.32 -0.03 -0.12 -1.18 -1.95 117.98 115.06 1ffj s PHE 25 Ca 0.03 0.26 -0.26 0.00 -0.05 0.00 0.00 56.93 56.91 1ffj s PHE 25 Cb -0.13 0.07 -0.10 0.00 -0.63 0.00 0.00 43.02 42.24 1ffj s PHE 25 CO 0.01 -0.35 0.95 -1.64 -0.05 0.00 0.00 175.22 174.14 1ffj s MET 26 N -1.17 4.59 0.34 1.99 -1.94 -1.26 -3.04 119.30 118.82 1ffj s MET 26 Ca -0.12 1.34 0.21 0.00 -1.71 0.00 0.00 55.69 55.41 1ffj s MET 26 Cb -0.05 -2.82 1.17 0.00 2.01 0.00 0.00 34.83 35.13 1ffj s MET 26 CO 0.03 0.29 1.64 -0.24 -0.01 0.00 0.00 175.02 176.73 1ffj h VAL 27 N 2.63 0.00 -0.80 -6.03 3.04 -1.82 -2.79 116.25 110.48 1ffj h VAL 27 Ca -0.47 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 65.50 1ffj h VAL 27 Cb 1.19 0.48 -0.15 0.00 -2.01 0.00 0.00 31.29 30.80 1ffj h VAL 27 CO 0.65 0.00 0.23 0.00 -1.01 0.00 0.00 177.57 177.44 1ffj n ALA 28 N -1.76 0.62 -3.05 3.17 0.00 -1.26 -4.33 120.51 113.90 1ffj n ALA 28 Ca -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 53.44 54.16 1ffj n ALA 28 Cb 0.08 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -5.47 -0.14 -0.49 0.00 0.00 -1.05 -5.03 121.76 109.58 1ffj s ALA 29 Ca -0.09 -0.31 0.26 0.00 0.00 0.00 0.00 51.96 51.82 1ffj s ALA 29 Cb 0.25 0.12 0.89 0.00 0.00 0.00 0.00 23.12 24.38 1ffj s ALA 29 CO 0.63 -0.18 1.76 -1.00 0.00 0.00 0.00 175.76 176.97 1ffj h PRO 30 N 4.51 0.00 -1.95 0.00 0.13 -1.85 -3.33 132.00 129.51 1ffj h PRO 30 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 1ffj h PRO 30 Cb 1.20 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 1ffj h PRO 30 CO 0.41 0.00 -1.11 1.58 -0.23 0.00 0.00 178.00 178.65 1ffj n HIS 31 N -2.48 -0.37 -3.06 1.56 -0.00 -1.26 -5.00 115.22 104.61 1ffj n HIS 31 Ca 0.03 -3.55 -0.05 0.00 0.46 0.00 0.00 57.72 54.61 1ffj n HIS 31 Cb 0.35 -0.31 -0.02 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.30 -0.81 0.59 3.57 1.01 -1.25 -5.15 120.40 117.05 1ffj s VAL 32 Ca 0.36 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1ffj s VAL 32 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 1ffj s VAL 32 CO -0.11 -0.17 1.05 -2.16 0.00 0.00 0.00 175.10 173.71 1ffj s PRO 33 N 1.27 3.36 -0.13 2.72 0.04 -1.26 -4.03 135.00 136.96 1ffj s PRO 33 Ca 0.23 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.46 1ffj s PRO 33 Cb -0.03 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1ffj s PRO 33 CO -0.06 -0.77 -0.08 1.55 0.04 0.00 0.00 177.00 177.68 1ffj n VAL 34 N -2.07 0.81 -3.83 -0.36 3.14 -0.82 -4.96 118.33 110.24 1ffj n VAL 34 Ca 0.08 -0.37 -0.07 0.00 -2.96 0.00 0.00 64.34 61.02 1ffj n VAL 34 Cb 0.53 -0.91 0.01 0.00 -1.06 0.00 0.00 33.84 32.40 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 -2.28 1.95 0.25 1.45 -2.85 -1.06 -5.00 119.74 112.20 1ffj s LYS 35 Ca -0.15 -1.19 -0.08 0.00 -1.00 0.00 0.00 55.97 53.55 1ffj s LYS 35 Cb 0.04 0.59 -0.01 0.00 -2.06 0.00 0.00 37.83 36.39 1ffj s LYS 35 CO 0.37 -0.91 0.37 1.03 0.10 0.00 0.00 175.35 176.32 1ffj s ARG 36 N -2.95 1.50 0.00 1.78 0.52 -1.26 -2.09 118.95 116.44 1ffj s ARG 36 Ca 0.14 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1ffj s ARG 36 Cb -0.05 0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1ffj s ARG 36 CO 0.09 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.23 1ffj n GLY 37 N -0.37 0.49 3.25 -3.53 0.00 -0.99 -4.04 105.19 100.00 1ffj n GLY 37 Ca -0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 2.30 0.00 -0.05 0.00 3.06 -0.48 -4.91 119.36 119.28 1ffj n ILE 39 Ca -0.16 -1.88 -0.11 0.00 -2.50 0.00 0.00 62.75 58.09 1ffj n ILE 39 Cb 0.53 1.04 -0.04 0.00 0.54 0.00 0.00 39.64 41.71 1ffj n ILE 39 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1ffj n ASP 40 N -1.74 0.90 -4.25 9.51 2.03 -1.26 -2.41 116.55 119.33 1ffj n ASP 40 Ca 0.04 0.12 -0.32 0.00 0.52 0.00 0.00 54.79 55.14 1ffj n ASP 40 Cb 0.54 -0.30 -0.16 0.00 -0.72 0.00 0.00 41.12 40.47 1ffj n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ffj s VAL 41 N -2.20 2.24 0.05 5.18 1.01 -1.26 -4.76 120.40 120.67 1ffj s VAL 41 Ca -0.15 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1ffj s VAL 41 Cb 0.06 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 1ffj s VAL 41 CO 0.19 0.55 1.40 0.00 0.00 0.00 0.00 175.10 177.24 1ffj s PRO 43 N 1.88 2.78 0.33 0.00 0.04 -1.26 -4.97 135.00 133.79 1ffj s PRO 43 Ca 0.64 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1ffj s PRO 43 Cb -0.34 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1ffj s PRO 43 CO 0.28 -1.20 1.47 1.17 0.04 0.00 0.00 177.00 178.77 1ffj n LYS 44 N -3.19 2.51 -3.43 4.56 3.00 -1.26 -4.87 118.16 115.49 1ffj n LYS 44 Ca 0.07 0.89 -0.38 0.00 -0.00 0.00 0.00 58.31 58.89 1ffj n LYS 44 Cb 0.54 -2.60 -0.06 0.00 0.00 0.00 0.00 35.03 32.91 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 0.07 6.69 0.46 3.14 0.01 -1.26 -4.88 113.70 117.93 1ffj s SER 45 Ca 0.58 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.73 1ffj s SER 45 Cb -0.52 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 1ffj s SER 45 CO 0.58 0.16 0.34 -0.94 0.41 0.00 0.00 173.24 173.78 1ffj s SER 46 N -0.13 4.73 0.02 2.44 1.04 -0.67 -5.03 113.70 116.10 1ffj s SER 46 Ca 0.23 -1.02 -0.21 0.00 0.48 0.00 0.00 55.95 55.43 1ffj s SER 46 Cb -0.15 -0.19 -0.17 0.00 0.10 0.00 0.00 66.02 65.61 1ffj s SER 46 CO 0.10 -0.79 1.27 -0.07 0.98 0.00 0.00 173.24 174.73 1ffj h LEU 47 N 1.03 0.33 0.22 2.42 3.38 -2.03 -3.33 115.31 117.33 1ffj h LEU 47 Ca -0.40 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.01 1ffj h LEU 47 Cb 1.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ffj h LEU 47 CO 0.61 0.82 -0.21 0.25 0.09 0.00 0.00 178.44 180.00 1ffj h LEU 48 N -0.15 -0.56 -9.37 1.67 5.85 -2.01 -3.44 115.31 107.30 1ffj h LEU 48 Ca 0.01 0.04 -0.60 0.00 0.84 0.00 0.00 57.88 58.17 1ffj h LEU 48 Cb 0.76 0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.85 1ffj h LEU 48 CO 0.04 -0.28 -0.71 0.68 -0.34 0.00 0.00 178.44 177.84 1ffj s VAL 49 N -4.15 3.13 0.02 1.05 -7.23 -1.25 -3.00 120.40 108.96 1ffj s VAL 49 Ca -0.07 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1ffj s VAL 49 Cb 0.02 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1ffj s VAL 49 CO 0.24 -0.25 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.20 1ffj s LYS 50 N -3.24 0.34 0.07 4.82 1.02 -1.17 -1.67 119.74 119.91 1ffj s LYS 50 Ca 0.28 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1ffj s LYS 50 Cb -0.07 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1ffj s LYS 50 CO 0.17 -0.04 -0.16 0.71 -0.92 0.00 0.00 175.35 175.11 1ffj s TYR 51 N -1.55 1.35 -0.04 3.18 2.02 -1.26 -3.11 117.35 117.93 1ffj s TYR 51 Ca -0.15 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1ffj s TYR 51 Cb -0.09 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 1ffj s TYR 51 CO -0.01 0.08 -0.12 0.08 -1.57 0.00 0.00 175.55 174.01 1ffj s VAL 52 N -1.13 1.01 0.28 0.71 1.01 -1.13 -4.92 120.40 116.24 1ffj s VAL 52 Ca 0.01 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1ffj s VAL 52 Cb -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1ffj s VAL 52 CO 0.02 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.29 1ffj n ASN 55 N 2.21 7.16 -4.11 0.00 6.94 -1.26 -1.89 115.26 124.30 1ffj n ASN 55 Ca -0.13 -3.72 -0.09 0.00 -0.02 0.00 0.00 54.58 50.62 1ffj n ASN 55 Cb 0.56 -1.10 -0.10 0.00 -2.36 0.00 0.00 39.78 36.78 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 -4.50 0.45 0.20 5.53 -4.23 -1.26 -5.05 115.64 106.78 1ffj s THR 56 Ca 0.42 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 1ffj s THR 56 Cb 0.25 -1.41 -0.09 0.00 1.34 0.00 0.00 72.50 72.59 1ffj s THR 56 CO -0.18 -0.85 1.30 -1.81 -0.54 0.00 0.00 174.62 172.54 1ffj s ASP 57 N -2.73 6.90 -1.46 3.99 1.01 -1.26 -2.87 116.67 120.24 1ffj s ASP 57 Ca 0.06 2.41 -0.05 0.00 0.71 0.00 0.00 52.55 55.68 1ffj s ASP 57 Cb 0.04 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.39 1ffj s ASP 57 CO -0.06 -0.52 0.56 2.29 0.21 0.00 0.00 175.17 177.65 1ffj n LYS 58 N 2.55 -3.61 -0.02 8.23 2.85 -0.95 -4.87 118.16 122.34 1ffj n LYS 58 Ca 0.06 0.43 -0.16 0.00 -1.05 0.00 0.00 58.31 57.59 1ffj n LYS 58 Cb 0.43 -4.78 -0.14 0.00 -0.65 0.00 0.00 35.03 29.89 1ffj n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35