#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 2.59 0.02 3.23 1.02 -1.26 -1.91 119.74 123.43 1ccq s LYS 2 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1ccq s LYS 2 Cb 0.00 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1ccq s LYS 2 CO 0.00 -0.95 0.10 0.00 -0.92 0.00 0.00 175.35 173.58 1ccq s LYS 4 N -1.98 2.18 0.05 0.00 1.02 -1.26 -2.10 119.74 117.65 1ccq s LYS 4 Ca 0.26 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1ccq s LYS 4 Cb -0.12 -1.89 -0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1ccq s LYS 4 CO 0.18 -0.16 0.00 1.63 -0.92 0.00 0.00 175.35 176.08 1ccq n LYS 5 N -1.23 1.74 -2.44 1.68 4.01 -0.94 -4.33 118.16 116.64 1ccq n LYS 5 Ca -0.03 -0.34 -0.24 0.00 -0.51 0.00 0.00 58.31 57.19 1ccq n LYS 5 Cb 0.65 0.10 0.09 0.00 -0.51 0.00 0.00 35.03 35.37 1ccq n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ccq s LEU 6 N 0.00 2.98 0.17 -0.35 1.02 -1.26 -4.53 118.68 116.71 1ccq s LEU 6 Ca 0.00 -0.03 -0.32 0.00 0.02 0.00 0.00 54.13 53.80 1ccq s LEU 6 Cb 0.00 -2.48 -0.16 0.00 0.02 0.00 0.00 46.19 43.57 1ccq s LEU 6 CO 0.00 -1.73 1.02 0.55 0.02 0.00 0.00 176.35 176.22 1ccq n VAL 7 N -2.84 1.11 -1.72 -1.59 3.14 -1.26 -4.14 118.33 111.04 1ccq n VAL 7 Ca 0.12 -0.28 -0.31 0.00 -2.96 0.00 0.00 64.34 60.91 1ccq n VAL 7 Cb 0.60 -0.61 0.04 0.00 -1.06 0.00 0.00 33.84 32.81 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 -0.58 3.07 0.05 1.45 0.04 -1.26 -5.06 135.00 132.71 1ccq s PRO 8 Ca 0.72 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 1ccq s PRO 8 Cb -0.90 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1ccq s PRO 8 CO 0.54 -1.00 1.91 -0.11 0.04 0.00 0.00 177.00 178.39 1ccq n LEU 9 N -2.80 4.01 -3.70 -3.56 0.00 -1.26 -4.87 117.00 104.82 1ccq n LEU 9 Ca 0.08 0.94 -0.11 0.00 0.00 0.00 0.00 56.01 56.92 1ccq n LEU 9 Cb 0.53 -1.51 -0.12 0.00 0.00 0.00 0.00 43.42 42.33 1ccq n LEU 9 CO 0.53 0.15 -0.02 0.12 0.00 0.00 0.00 177.39 178.18 1ccq s PHE 10 N 3.76 -0.50 0.05 1.96 5.36 -1.26 -5.06 117.98 122.28 1ccq s PHE 10 Ca 0.87 1.10 0.03 0.00 -0.96 0.00 0.00 56.93 57.97 1ccq s PHE 10 Cb -0.49 0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 1ccq s PHE 10 CO 0.42 -0.31 0.02 -1.54 -1.46 0.00 0.00 175.22 172.35 1ccq s SER 11 N 1.42 5.21 -0.27 6.13 1.04 -1.26 -2.22 113.70 123.75 1ccq s SER 11 Ca -0.09 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.03 1ccq s SER 11 Cb -0.09 -1.34 0.10 0.00 0.10 0.00 0.00 66.02 64.79 1ccq s SER 11 CO -0.11 0.22 0.89 -0.75 0.98 0.00 0.00 173.24 174.47 1ccq s LYS 12 N -2.00 0.66 -0.19 4.02 2.20 -0.89 -5.03 119.74 118.51 1ccq s LYS 12 Ca 0.24 0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 56.35 1ccq s LYS 12 Cb -0.12 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1ccq s LYS 12 CO 0.16 -0.09 0.78 0.99 -0.36 0.00 0.00 175.35 176.83 1ccq s THR 13 N 0.21 4.91 -0.48 3.43 2.01 -1.26 -1.81 115.64 122.65 1ccq s THR 13 Ca 0.01 1.51 -0.38 0.00 0.31 0.00 0.00 61.69 63.15 1ccq s THR 13 Cb -0.05 -4.09 -0.15 0.00 0.01 0.00 0.00 72.50 68.22 1ccq s THR 13 CO -0.03 0.03 2.23 0.00 -0.69 0.00 0.00 174.62 176.17 1ccq s PRO 15 N 6.50 0.75 0.03 0.00 0.04 -1.26 -4.76 135.00 136.31 1ccq s PRO 15 Ca 1.16 0.13 -0.38 0.00 0.04 0.00 0.00 61.00 61.95 1ccq s PRO 15 Cb -1.12 -1.81 -0.19 0.00 0.04 0.00 0.00 34.50 31.42 1ccq s PRO 15 CO 0.55 -2.43 0.99 0.00 0.04 0.00 0.00 177.00 176.15 1ccq n ALA 16 N -3.90 -3.44 0.00 8.56 0.00 -1.26 -1.54 120.51 118.93 1ccq n ALA 16 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1ccq n ALA 16 Cb 0.59 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.61 3.16 3.34 0.00 0.00 -1.26 -5.04 105.19 106.99 1ccq n GLY 17 Ca 0.20 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 2.86 0.00 1.61 3.01 -0.59 -3.95 119.74 122.68 1ccq s LYS 18 Ca 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 55.97 54.17 1ccq s LYS 18 Cb 0.00 -2.37 0.00 0.00 -1.01 0.00 0.00 37.83 34.45 1ccq s LYS 18 CO 0.00 0.36 0.58 0.09 0.51 0.00 0.00 175.35 176.89 1ccq n ASN 19 N 3.06 0.76 -4.16 2.83 3.02 -0.93 -4.24 115.26 115.60 1ccq n ASN 19 Ca -0.18 -1.32 -0.10 0.00 -0.03 0.00 0.00 54.58 52.95 1ccq n ASN 19 Cb 0.52 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 1ccq n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ccq s LEU 20 N -0.32 2.51 -0.22 3.41 1.43 -0.97 -4.89 118.68 119.62 1ccq s LEU 20 Ca 0.00 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 1ccq s LEU 20 Cb 0.00 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 1ccq s LEU 20 CO 0.00 -0.48 -0.03 0.00 0.23 0.00 0.00 176.35 176.07 1ccq s TYR 22 N 1.45 3.51 -0.14 0.00 -0.85 -0.74 -2.22 117.35 118.36 1ccq s TYR 22 Ca 0.05 0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 57.03 1ccq s TYR 22 Cb -0.14 -1.91 0.05 0.00 0.38 0.00 0.00 41.96 40.34 1ccq s TYR 22 CO -0.02 0.68 0.06 0.21 -1.52 0.00 0.00 175.55 174.96 1ccq s LYS 23 N -0.99 0.23 -0.12 -3.49 2.20 -0.90 -2.39 119.74 114.27 1ccq s LYS 23 Ca 0.15 -0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1ccq s LYS 23 Cb -0.12 -1.56 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1ccq s LYS 23 CO 0.04 -0.56 0.14 1.41 -0.36 0.00 0.00 175.35 176.01 1ccq s MET 24 N 2.06 3.43 0.35 4.03 -2.45 -0.65 -2.12 119.30 123.96 1ccq s MET 24 Ca 0.02 -0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.28 1ccq s MET 24 Cb -0.15 -3.18 0.01 0.00 1.25 0.00 0.00 34.83 32.76 1ccq s MET 24 CO -0.07 0.78 0.53 -0.59 1.05 0.00 0.00 175.02 176.71 1ccq s PHE 25 N -1.03 0.94 -0.13 4.11 -0.71 -0.88 -1.58 117.98 118.70 1ccq s PHE 25 Ca 0.15 -1.23 -0.19 0.00 -1.04 0.00 0.00 56.93 54.62 1ccq s PHE 25 Cb -0.12 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1ccq s PHE 25 CO 0.04 -1.21 0.52 -1.64 -1.34 0.00 0.00 175.22 171.59 1ccq s MET 26 N -2.90 4.32 -0.83 1.99 -1.94 -1.26 -2.34 119.30 116.33 1ccq s MET 26 Ca 0.28 0.50 -0.25 0.00 -1.71 0.00 0.00 55.69 54.51 1ccq s MET 26 Cb -0.01 -3.47 -0.19 0.00 2.01 0.00 0.00 34.83 33.17 1ccq s MET 26 CO 0.19 0.07 1.90 0.28 -0.01 0.00 0.00 175.02 177.45 1ccq n VAL 27 N 3.91 1.19 0.00 -6.03 0.31 -1.03 -2.09 118.33 114.59 1ccq n VAL 27 Ca -0.06 -1.15 0.00 0.00 -0.01 0.00 0.00 64.34 63.12 1ccq n VAL 27 Cb 0.51 -2.15 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 12.44 0.00 -3.81 3.52 0.00 -1.26 -5.02 120.51 126.37 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 s ALA 29 N -1.06 3.27 -0.83 0.00 0.00 -0.89 -4.98 121.76 117.26 1ccq s ALA 29 Ca 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 51.96 48.42 1ccq s ALA 29 Cb 0.00 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 1ccq s ALA 29 CO 0.00 -2.07 2.60 -0.35 0.00 0.00 0.00 175.76 175.94 1ccq n PRO 30 N 2.32 2.38 0.00 0.00 -0.04 -1.26 -2.93 135.00 135.47 1ccq n PRO 30 Ca 0.19 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1ccq n PRO 30 Cb 0.37 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.52 -0.65 -3.43 0.54 -0.00 -1.26 -5.06 115.22 108.88 1ccq n HIS 31 Ca 0.51 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.80 1ccq n HIS 31 Cb 0.34 0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.52 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 -1.58 5.23 1.09 3.57 1.01 -1.15 -5.07 120.40 123.49 1ccq s VAL 32 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1ccq s VAL 32 Cb 0.00 -3.96 0.25 0.00 0.00 0.00 0.00 36.38 32.67 1ccq s VAL 32 CO 0.00 -0.34 1.22 -2.16 0.00 0.00 0.00 175.10 173.82 1ccq s PRO 33 N 1.77 -0.33 0.00 2.72 0.04 -1.26 -4.61 135.00 133.33 1ccq s PRO 33 Ca 0.06 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1ccq s PRO 33 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ccq s PRO 33 CO 0.11 -3.08 0.00 0.28 0.04 0.00 0.00 177.00 174.34 1ccq n VAL 34 N -4.27 0.00 -4.27 -0.36 0.31 -0.61 -4.98 118.33 104.15 1ccq n VAL 34 Ca 0.15 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.30 1ccq n VAL 34 Cb 0.59 -0.87 -0.15 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.88 0.62 -0.12 5.55 1.02 -1.05 -5.03 119.74 118.85 1ccq s LYS 35 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 55.97 55.70 1ccq s LYS 35 Cb 0.00 -0.60 0.06 0.00 -0.52 0.00 0.00 37.83 36.77 1ccq s LYS 35 CO 0.00 0.14 0.16 1.03 -0.92 0.00 0.00 175.35 175.76 1ccq s ARG 36 N -0.10 0.06 0.00 1.68 0.52 -1.26 -1.64 118.95 118.22 1ccq s ARG 36 Ca 0.02 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1ccq s ARG 36 Cb -0.04 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.71 1ccq s ARG 36 CO -0.00 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.29 1ccq n GLY 37 N 5.32 3.11 3.97 -3.53 0.00 -1.01 -4.41 105.19 108.64 1ccq n GLY 37 Ca -0.05 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.48 0.00 -0.23 0.00 2.07 -0.68 -4.68 121.20 115.20 1ccq s ILE 39 Ca 0.49 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.55 1ccq s ILE 39 Cb -0.10 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.34 1ccq s ILE 39 CO 0.36 0.00 -0.03 -0.90 -1.91 0.00 0.00 174.94 172.46 1ccq n ASP 40 N 0.14 1.89 -4.29 4.50 5.75 -1.25 -2.18 116.55 121.10 1ccq n ASP 40 Ca -0.17 0.41 -0.29 0.00 -0.01 0.00 0.00 54.79 54.72 1ccq n ASP 40 Cb 0.62 -0.90 -0.15 0.00 -1.03 0.00 0.00 41.12 39.65 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 -2.43 1.91 -0.30 2.12 0.11 -1.26 -4.58 120.40 115.98 1ccq s VAL 41 Ca -0.31 -1.16 -0.29 0.00 -2.93 0.00 0.00 61.98 57.29 1ccq s VAL 41 Cb 0.08 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1ccq s VAL 41 CO 0.52 0.42 1.09 0.00 -3.33 0.00 0.00 175.10 173.80 1ccq s PRO 43 N 3.61 1.54 0.58 0.00 0.04 -1.26 -5.03 135.00 134.48 1ccq s PRO 43 Ca 0.46 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.78 1ccq s PRO 43 Cb -0.13 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ccq s PRO 43 CO 0.14 -1.95 1.04 0.21 0.04 0.00 0.00 177.00 176.48 1ccq s LYS 44 N -5.23 3.48 0.39 4.56 2.20 -1.26 -4.90 119.74 118.98 1ccq s LYS 44 Ca 0.62 1.10 0.05 0.00 -0.36 0.00 0.00 55.97 57.38 1ccq s LYS 44 Cb -0.15 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1ccq s LYS 44 CO 0.54 -0.67 0.56 -1.12 -0.36 0.00 0.00 175.35 174.29 1ccq s SER 45 N -3.00 5.82 0.34 1.43 0.01 -1.26 -4.77 113.70 112.27 1ccq s SER 45 Ca 0.61 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.78 1ccq s SER 45 Cb -0.14 -1.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 1ccq s SER 45 CO 0.37 -0.61 0.09 -1.54 0.41 0.00 0.00 173.24 171.97 1ccq n SER 46 N -1.83 1.54 0.15 2.44 3.41 -0.81 -5.03 113.62 113.50 1ccq n SER 46 Ca 0.02 -2.74 0.12 0.00 -0.26 0.00 0.00 58.87 56.01 1ccq n SER 46 Cb 0.58 0.72 0.09 0.00 -0.26 0.00 0.00 64.21 65.35 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 -2.02 -3.38 115.31 115.02 1ccq h LEU 47 Ca -0.27 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1ccq h LEU 47 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1ccq h LEU 47 CO 0.43 0.00 -0.24 0.25 -1.08 0.00 0.00 178.44 177.81 1ccq h LEU 48 N 0.00 0.00-10.12 1.67 6.46 -1.96 -3.45 115.31 107.91 1ccq h LEU 48 Ca 0.00 0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.29 1ccq h LEU 48 Cb 0.98 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1ccq h LEU 48 CO 0.00 0.36 -0.44 0.54 -0.62 0.00 0.00 178.44 178.28 1ccq s VAL 49 N -1.59 4.70 -0.04 1.05 0.11 -1.26 -2.46 120.40 120.90 1ccq s VAL 49 Ca -0.07 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1ccq s VAL 49 Cb 0.01 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.28 1ccq s VAL 49 CO 0.10 -0.29 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.01 1ccq s LYS 50 N -3.98 0.68 -0.55 1.54 1.02 -0.99 -1.92 119.74 115.54 1ccq s LYS 50 Ca 0.36 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 1ccq s LYS 50 Cb -0.08 -0.77 0.14 0.00 -0.52 0.00 0.00 37.83 36.60 1ccq s LYS 50 CO 0.28 -0.12 0.34 0.71 -0.92 0.00 0.00 175.35 175.64 1ccq s TYR 51 N 1.07 3.44 -0.24 3.18 1.51 -1.26 -2.08 117.35 122.97 1ccq s TYR 51 Ca -0.09 -2.71 -0.20 0.00 -1.01 0.00 0.00 57.07 53.06 1ccq s TYR 51 Cb -0.14 -3.15 -0.02 0.00 -0.11 0.00 0.00 41.96 38.54 1ccq s TYR 51 CO -0.01 -0.87 0.61 0.08 -1.11 0.00 0.00 175.55 174.25 1ccq s VAL 52 N 0.25 5.01 0.11 0.71 1.01 -0.90 -4.82 120.40 121.77 1ccq s VAL 52 Ca 0.14 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.28 1ccq s VAL 52 Cb -0.22 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1ccq s VAL 52 CO -0.03 0.06 0.01 0.00 0.00 0.00 0.00 175.10 175.13 1ccq n ASN 55 N -0.25 4.69 -4.16 0.00 6.94 -1.26 -1.77 115.26 119.44 1ccq n ASN 55 Ca -0.12 -3.71 -0.10 0.00 -0.02 0.00 0.00 54.58 50.63 1ccq n ASN 55 Cb 0.63 -0.51 -0.10 0.00 -2.36 0.00 0.00 39.78 37.44 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 -5.13 0.40 0.42 5.53 -4.23 -1.26 -4.89 115.64 106.49 1ccq s THR 56 Ca 0.48 -1.91 -0.24 0.00 -1.18 0.00 0.00 61.69 58.85 1ccq s THR 56 Cb 0.35 -1.86 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 1ccq s THR 56 CO -0.17 -0.68 1.11 -1.81 -0.54 0.00 0.00 174.62 172.53 1ccq s ASP 57 N -3.05 6.49 -1.60 3.99 1.01 -1.26 -3.25 116.67 118.99 1ccq s ASP 57 Ca 0.17 2.19 -0.04 0.00 0.71 0.00 0.00 52.55 55.59 1ccq s ASP 57 Cb 0.07 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1ccq s ASP 57 CO -0.02 -0.69 0.11 1.17 0.21 0.00 0.00 175.17 175.96 1ccq n LYS 58 N -0.21 -0.98 -0.13 8.23 4.81 -1.00 -4.80 118.16 124.09 1ccq n LYS 58 Ca 0.06 0.11 -0.22 0.00 -0.87 0.00 0.00 58.31 57.38 1ccq n LYS 58 Cb 0.48 -3.80 -0.11 0.00 0.02 0.00 0.00 35.03 31.62 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57