#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccq s LYS 2 N 0.00 0.02 0.22 1.47 2.20 -1.26 -2.45 119.74 119.94 1ccq s LYS 2 Ca 0.00 0.36 0.11 0.00 -0.36 0.00 0.00 55.97 56.08 1ccq s LYS 2 Cb 0.00 -0.71 -0.05 0.00 -1.51 0.00 0.00 37.83 35.56 1ccq s LYS 2 CO 0.00 -0.42 -0.22 0.00 -0.36 0.00 0.00 175.35 174.36 1ccq s LYS 4 N -2.99 2.72 0.09 0.00 1.02 -1.26 -1.60 119.74 117.71 1ccq s LYS 4 Ca 0.23 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.93 1ccq s LYS 4 Cb -0.06 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1ccq s LYS 4 CO 0.11 0.11 0.04 1.63 -0.92 0.00 0.00 175.35 176.32 1ccq n LYS 5 N -1.35 1.55 -2.45 1.68 5.02 -1.02 -4.30 118.16 117.29 1ccq n LYS 5 Ca -0.02 -0.58 -0.24 0.00 -2.02 0.00 0.00 58.31 55.44 1ccq n LYS 5 Cb 0.60 0.11 0.09 0.00 -0.02 0.00 0.00 35.03 35.81 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ccq s LEU 6 N 0.00 2.98 0.19 -0.35 1.43 -1.26 -4.59 118.68 117.08 1ccq s LEU 6 Ca 0.03 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.75 1ccq s LEU 6 Cb -0.00 -2.41 -0.16 0.00 0.03 0.00 0.00 46.19 43.65 1ccq s LEU 6 CO 0.02 -1.76 0.90 0.55 0.23 0.00 0.00 176.35 176.29 1ccq n VAL 7 N -2.85 1.44 -1.74 -1.59 3.14 -1.26 -4.21 118.33 111.25 1ccq n VAL 7 Ca 0.12 -0.36 -0.32 0.00 -2.96 0.00 0.00 64.34 60.83 1ccq n VAL 7 Cb 0.60 -0.52 0.04 0.00 -1.06 0.00 0.00 33.84 32.90 1ccq n VAL 7 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ccq s PRO 8 N -0.84 3.09 -0.55 1.45 0.04 -1.26 -5.01 135.00 131.91 1ccq s PRO 8 Ca 0.68 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1ccq s PRO 8 Cb -0.88 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 1ccq s PRO 8 CO 0.56 -0.98 2.43 -0.11 0.04 0.00 0.00 177.00 178.94 1ccq n LEU 9 N -2.75 2.16 -3.89 -3.56 -0.00 -1.26 -4.89 117.00 102.80 1ccq n LEU 9 Ca 0.08 -0.61 -0.17 0.00 -0.00 0.00 0.00 56.01 55.31 1ccq n LEU 9 Cb 0.53 -1.57 -0.15 0.00 -0.00 0.00 0.00 43.42 42.23 1ccq n LEU 9 CO 0.53 -1.68 -0.39 0.12 -0.00 0.00 0.00 177.39 175.97 1ccq s PHE 10 N 12.41 0.46 0.28 1.96 5.36 -1.26 -5.08 117.98 132.11 1ccq s PHE 10 Ca 0.99 -0.08 -0.22 0.00 -0.96 0.00 0.00 56.93 56.66 1ccq s PHE 10 Cb -0.21 -0.41 -0.09 0.00 -0.34 0.00 0.00 43.02 41.97 1ccq s PHE 10 CO 0.25 -0.09 0.82 -1.54 -1.46 0.00 0.00 175.22 173.20 1ccq s SER 11 N 0.50 7.13 -0.05 6.13 1.04 -1.26 -2.44 113.70 124.75 1ccq s SER 11 Ca -0.05 1.59 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1ccq s SER 11 Cb -0.09 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1ccq s SER 11 CO -0.01 -0.05 0.02 -0.75 0.98 0.00 0.00 173.24 173.43 1ccq s LYS 12 N -2.17 0.27 0.19 4.02 2.47 -0.63 -4.93 119.74 118.97 1ccq s LYS 12 Ca 0.48 0.18 -0.28 0.00 -1.56 0.00 0.00 55.97 54.79 1ccq s LYS 12 Cb -0.16 -0.64 -0.08 0.00 -1.46 0.00 0.00 37.83 35.49 1ccq s LYS 12 CO 0.21 -0.25 0.88 0.99 0.16 0.00 0.00 175.35 177.34 1ccq s THR 13 N 1.66 4.26 -0.35 3.43 2.01 -1.26 -2.14 115.64 123.25 1ccq s THR 13 Ca -0.01 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 1ccq s THR 13 Cb -0.13 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1ccq s THR 13 CO -0.03 0.48 1.11 0.00 -0.69 0.00 0.00 174.62 175.48 1ccq s PRO 15 N 3.84 2.07 0.10 0.00 0.04 -1.26 -4.87 135.00 134.92 1ccq s PRO 15 Ca 0.47 0.63 -0.36 0.00 0.04 0.00 0.00 61.00 61.78 1ccq s PRO 15 Cb -0.12 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 1ccq s PRO 15 CO 0.19 -1.63 1.28 0.00 0.04 0.00 0.00 177.00 176.88 1ccq n ALA 16 N -3.44 -1.12 0.00 8.56 0.00 -1.26 -1.67 120.51 121.58 1ccq n ALA 16 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1ccq n ALA 16 Cb 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1ccq n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ccq n GLY 17 N 2.35 3.18 3.57 0.00 0.00 -1.26 -5.05 105.19 107.99 1ccq n GLY 17 Ca 0.18 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1ccq n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ccq s LYS 18 N 0.00 3.85 -0.00 1.61 1.02 -0.67 -4.34 119.74 121.20 1ccq s LYS 18 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1ccq s LYS 18 Cb 0.00 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1ccq s LYS 18 CO 0.00 0.22 0.65 0.09 -0.92 0.00 0.00 175.35 175.39 1ccq n ASN 19 N 3.66 0.43 -4.30 2.83 4.13 -1.02 -4.37 115.26 116.61 1ccq n ASN 19 Ca -0.17 -1.31 -0.20 0.00 1.68 0.00 0.00 54.58 54.59 1ccq n ASN 19 Cb 0.52 -0.02 -0.11 0.00 -1.54 0.00 0.00 39.78 38.63 1ccq n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ccq s LEU 20 N -0.25 2.46 -0.13 3.41 1.43 -0.97 -4.85 118.68 119.78 1ccq s LEU 20 Ca 0.01 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.19 1ccq s LEU 20 Cb 0.01 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1ccq s LEU 20 CO 0.00 -0.11 -0.03 0.00 0.23 0.00 0.00 176.35 176.44 1ccq s TYR 22 N -0.06 2.71 -0.18 0.00 -0.85 -0.56 -2.12 117.35 116.28 1ccq s TYR 22 Ca 0.02 -0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.37 1ccq s TYR 22 Cb -0.13 -1.60 0.06 0.00 0.38 0.00 0.00 41.96 40.67 1ccq s TYR 22 CO 0.02 0.22 0.11 -1.59 -1.52 0.00 0.00 175.55 172.79 1ccq s LYS 23 N -0.91 0.08 -0.13 -3.49 -2.85 -0.88 -2.25 119.74 109.31 1ccq s LYS 23 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 55.97 54.97 1ccq s LYS 23 Cb -0.11 -1.74 -0.04 0.00 -2.06 0.00 0.00 37.83 33.88 1ccq s LYS 23 CO 0.02 -0.67 0.14 1.41 0.10 0.00 0.00 175.35 176.34 1ccq s MET 24 N 2.16 3.52 0.30 1.78 1.75 -0.68 -2.48 119.30 125.66 1ccq s MET 24 Ca 0.03 -0.14 -0.07 0.00 -1.25 0.00 0.00 55.69 54.25 1ccq s MET 24 Cb -0.16 -3.21 0.00 0.00 2.84 0.00 0.00 34.83 34.30 1ccq s MET 24 CO -0.10 0.72 0.47 -0.59 -0.65 0.00 0.00 175.02 174.88 1ccq s PHE 25 N -0.87 0.75 -0.12 4.11 -0.71 -0.97 -1.83 117.98 118.35 1ccq s PHE 25 Ca 0.14 -1.06 -0.19 0.00 -1.04 0.00 0.00 56.93 54.78 1ccq s PHE 25 Cb -0.12 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1ccq s PHE 25 CO 0.03 -1.08 0.52 -1.64 -1.34 0.00 0.00 175.22 171.71 1ccq s MET 26 N -3.42 4.33 -0.85 1.99 -1.94 -1.26 -2.31 119.30 115.84 1ccq s MET 26 Ca 0.27 0.51 -0.25 0.00 -1.71 0.00 0.00 55.69 54.52 1ccq s MET 26 Cb -0.00 -3.46 -0.19 0.00 2.01 0.00 0.00 34.83 33.20 1ccq s MET 26 CO 0.15 0.10 1.90 0.28 -0.01 0.00 0.00 175.02 177.44 1ccq n VAL 27 N 3.82 1.23 0.00 -6.03 0.31 -1.03 -2.22 118.33 114.41 1ccq n VAL 27 Ca -0.06 -1.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1ccq n VAL 27 Cb 0.51 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1ccq n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ccq n ALA 28 N 12.43 0.00 -3.87 3.52 0.00 -1.26 -5.03 120.51 126.30 1ccq n ALA 28 Ca 0.46 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1ccq n ALA 28 Cb 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 1ccq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ccq n ALA 29 N -1.16 3.46 -0.94 0.00 0.00 -0.94 -4.97 120.51 115.95 1ccq n ALA 29 Ca 0.00 -4.55 -0.26 0.00 0.00 0.00 0.00 53.44 48.63 1ccq n ALA 29 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1ccq n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ccq n PRO 30 N 1.90 2.57 0.00 0.00 -0.04 -1.26 -2.96 135.00 135.21 1ccq n PRO 30 Ca 0.20 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1ccq n PRO 30 Cb 0.35 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1ccq n PRO 30 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ccq n HIS 31 N 3.73 -1.11 -3.53 0.54 -0.00 -1.26 -5.07 115.22 108.52 1ccq n HIS 31 Ca 0.55 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.86 1ccq n HIS 31 Cb 0.25 0.36 -0.11 0.00 -0.00 0.00 0.00 29.99 30.50 1ccq n HIS 31 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1ccq s VAL 32 N -1.72 5.25 0.95 3.57 1.01 -1.15 -5.08 120.40 123.22 1ccq s VAL 32 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1ccq s VAL 32 Cb 0.00 -3.72 0.23 0.00 0.00 0.00 0.00 36.38 32.89 1ccq s VAL 32 CO 0.00 -0.04 1.05 -0.81 0.00 0.00 0.00 175.10 175.30 1ccq n PRO 33 N 5.11 -1.97 0.04 2.72 -0.04 -1.26 -4.70 135.00 134.89 1ccq n PRO 33 Ca -0.12 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1ccq n PRO 33 Cb 0.49 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1ccq n PRO 33 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ccq n VAL 34 N -4.05 0.35 -4.29 0.52 0.31 -0.76 -4.98 118.33 105.43 1ccq n VAL 34 Ca 0.14 0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.39 1ccq n VAL 34 Cb 0.50 -1.16 -0.13 0.00 -0.91 0.00 0.00 33.84 32.15 1ccq n VAL 34 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ccq s LYS 35 N -2.00 0.88 -0.18 5.55 1.02 -1.03 -4.97 119.74 119.01 1ccq s LYS 35 Ca 0.00 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.10 1ccq s LYS 35 Cb 0.00 -0.88 0.07 0.00 -0.52 0.00 0.00 37.83 36.50 1ccq s LYS 35 CO 0.00 0.21 0.43 1.03 -0.92 0.00 0.00 175.35 176.10 1ccq s ARG 36 N -1.29 0.40 0.00 1.68 0.52 -1.26 -1.68 118.95 117.31 1ccq s ARG 36 Ca 0.00 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1ccq s ARG 36 Cb -0.08 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.45 1ccq s ARG 36 CO 0.01 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1ccq n GLY 37 N 4.50 2.42 3.97 -3.53 0.00 -0.95 -4.40 105.19 107.19 1ccq n GLY 37 Ca -0.20 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1ccq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ccq s ILE 39 N -2.59 0.00 -0.21 0.00 2.07 -0.52 -4.69 121.20 115.27 1ccq s ILE 39 Ca 0.53 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1ccq s ILE 39 Cb -0.10 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.40 1ccq s ILE 39 CO 0.37 0.00 -0.28 -0.90 -1.91 0.00 0.00 174.94 172.22 1ccq n ASP 40 N -0.09 1.57 -4.38 4.50 5.75 -1.26 -2.29 116.55 120.35 1ccq n ASP 40 Ca -0.11 0.27 -0.34 0.00 -0.01 0.00 0.00 54.79 54.60 1ccq n ASP 40 Cb 0.62 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.92 1ccq n ASP 40 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ccq s VAL 41 N -2.44 3.36 -0.27 2.12 0.11 -1.26 -4.76 120.40 117.25 1ccq s VAL 41 Ca -0.30 -0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 1ccq s VAL 41 Cb 0.11 -2.47 -0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1ccq s VAL 41 CO 0.38 0.48 1.29 0.00 -3.33 0.00 0.00 175.10 173.92 1ccq s PRO 43 N 4.01 2.34 0.87 0.00 0.04 -1.26 -5.04 135.00 135.96 1ccq s PRO 43 Ca 0.56 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1ccq s PRO 43 Cb -0.18 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.54 1ccq s PRO 43 CO 0.21 -1.46 1.11 0.21 0.04 0.00 0.00 177.00 177.11 1ccq s LYS 44 N -5.12 1.45 0.33 4.56 2.20 -1.26 -4.89 119.74 117.00 1ccq s LYS 44 Ca 0.60 0.53 0.08 0.00 -0.36 0.00 0.00 55.97 56.81 1ccq s LYS 44 Cb -0.14 -1.85 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1ccq s LYS 44 CO 0.54 -2.04 0.27 -1.12 -0.36 0.00 0.00 175.35 172.64 1ccq s SER 45 N -3.83 5.23 0.39 1.43 0.01 -1.26 -4.67 113.70 110.99 1ccq s SER 45 Ca 0.63 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 57.40 1ccq s SER 45 Cb -0.15 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1ccq s SER 45 CO 0.55 -0.32 0.09 -1.54 0.41 0.00 0.00 173.24 172.43 1ccq n SER 46 N -1.33 1.76 0.17 2.44 3.41 -0.87 -5.02 113.62 114.17 1ccq n SER 46 Ca -0.02 -2.93 0.12 0.00 -0.26 0.00 0.00 58.87 55.77 1ccq n SER 46 Cb 0.60 0.75 0.12 0.00 -0.26 0.00 0.00 64.21 65.41 1ccq n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ccq h LEU 47 N 0.00 0.00 0.00 1.04 4.07 -2.03 -3.38 115.31 115.01 1ccq h LEU 47 Ca -0.31 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1ccq h LEU 47 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1ccq h LEU 47 CO 0.49 0.00 -0.21 -0.11 -1.08 0.00 0.00 178.44 177.53 1ccq n LEU 48 N -2.90 0.74 -4.98 1.67 0.00 -1.26 -4.82 117.00 105.46 1ccq n LEU 48 Ca 0.03 0.40 -0.20 0.00 0.00 0.00 0.00 56.01 56.23 1ccq n LEU 48 Cb 0.53 -0.65 -0.01 0.00 0.00 0.00 0.00 43.42 43.29 1ccq n LEU 48 CO 0.36 -0.49 0.06 0.54 0.00 0.00 0.00 177.39 177.86 1ccq s VAL 49 N -1.52 4.50 -0.05 1.96 0.11 -1.26 -2.46 120.40 121.69 1ccq s VAL 49 Ca -0.06 -0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1ccq s VAL 49 Cb 0.01 -3.58 0.03 0.00 -1.53 0.00 0.00 36.38 31.30 1ccq s VAL 49 CO 0.09 -0.25 0.02 -0.54 -3.33 0.00 0.00 175.10 171.09 1ccq s LYS 50 N -4.16 0.28 -0.48 1.54 1.02 -0.98 -2.05 119.74 114.91 1ccq s LYS 50 Ca 0.42 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 1ccq s LYS 50 Cb -0.09 -0.64 0.13 0.00 -0.52 0.00 0.00 37.83 36.71 1ccq s LYS 50 CO 0.31 -0.24 0.28 0.71 -0.92 0.00 0.00 175.35 175.49 1ccq s TYR 51 N 1.65 3.52 -0.19 3.18 1.51 -1.26 -2.28 117.35 123.48 1ccq s TYR 51 Ca -0.01 -2.55 -0.15 0.00 -1.01 0.00 0.00 57.07 53.35 1ccq s TYR 51 Cb -0.13 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 1ccq s TYR 51 CO -0.03 -0.92 0.35 0.08 -1.11 0.00 0.00 175.55 173.92 1ccq s VAL 52 N 0.70 5.24 0.28 0.71 1.01 -1.04 -4.77 120.40 122.53 1ccq s VAL 52 Ca 0.11 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.82 1ccq s VAL 52 Cb -0.22 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1ccq s VAL 52 CO -0.04 0.30 0.03 0.00 0.00 0.00 0.00 175.10 175.40 1ccq n ASN 55 N 1.16 6.68 -4.12 0.00 6.94 -1.26 -2.09 115.26 122.57 1ccq n ASN 55 Ca -0.21 -3.78 -0.15 0.00 -0.02 0.00 0.00 54.58 50.41 1ccq n ASN 55 Cb 0.56 -0.79 -0.12 0.00 -2.36 0.00 0.00 39.78 37.08 1ccq n ASN 55 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ccq s THR 56 N -4.90 0.83 0.49 5.53 -4.23 -1.26 -5.06 115.64 107.04 1ccq s THR 56 Ca 0.57 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.61 1ccq s THR 56 Cb 0.46 -0.92 -0.07 0.00 1.34 0.00 0.00 72.50 73.31 1ccq s THR 56 CO -0.10 -0.35 1.10 -1.81 -0.54 0.00 0.00 174.62 172.92 1ccq s ASP 57 N -1.79 6.11 -1.63 3.99 1.11 -1.26 -3.22 116.67 119.98 1ccq s ASP 57 Ca -0.04 2.10 -0.09 0.00 0.18 0.00 0.00 52.55 54.71 1ccq s ASP 57 Cb -0.09 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.41 1ccq s ASP 57 CO 0.01 -0.95 0.33 0.29 1.18 0.00 0.00 175.17 176.03 1ccq n LYS 58 N -0.92 -1.61 -0.13 8.23 5.02 -0.92 -4.81 118.16 123.02 1ccq n LYS 58 Ca 0.09 0.20 -0.26 0.00 -2.02 0.00 0.00 58.31 56.32 1ccq n LYS 58 Cb 0.51 -4.24 -0.11 0.00 -0.02 0.00 0.00 35.03 31.17 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88