#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 2.80 -0.03 1.47 2.20 -1.26 -1.50 119.74 123.42 1ccq s LYS 2 Ca 0.00 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 54.52 1ccq s LYS 2 Cb 0.00 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1ccq s LYS 2 CO 0.00 -0.73 -0.10 0.00 -0.36 0.00 0.00 175.35 174.16 1ccq s LYS 4 N -1.04 3.43 0.30 0.00 1.02 -1.26 -2.22 119.74 119.96 1ccq s LYS 4 Ca 0.14 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1ccq s LYS 4 Cb -0.11 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1ccq s LYS 4 CO 0.03 0.51 0.08 1.63 -0.92 0.00 0.00 175.35 176.68 1ccq n LYS 5 N -0.66 1.21 -3.65 1.68 4.01 -1.01 -4.24 118.16 115.49 1ccq n LYS 5 Ca -0.07 -2.05 -0.37 0.00 -0.51 0.00 0.00 58.31 55.31 1ccq n LYS 5 Cb 0.54 0.44 -0.06 0.00 -0.51 0.00 0.00 35.03 35.44 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 4.36 0.75 -0.35 1.02 -1.25 -4.73 118.68 118.48 1ccq s LEU 6 Ca 0.06 0.62 -0.17 0.00 0.02 0.00 0.00 54.13 54.66 1ccq s LEU 6 Cb -0.00 -2.32 -0.12 0.00 0.02 0.00 0.00 46.19 43.76 1ccq s LEU 6 CO 0.04 0.27 -0.24 0.52 0.02 0.00 0.00 176.35 176.96 1ccq n VAL 7 N 2.52 0.33 1.50 -1.59 0.31 -1.26 -1.58 118.33 118.55 1ccq n VAL 7 Ca -0.15 -0.47 0.12 0.00 -0.01 0.00 0.00 64.34 63.83 1ccq n VAL 7 Cb 0.53 -0.16 0.71 0.00 -0.91 0.00 0.00 33.84 34.01 1ccq n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ccq n PRO 8 N 1.33 0.75 -1.90 5.55 -0.04 -1.26 -5.02 135.00 134.40 1ccq n PRO 8 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 1ccq n PRO 8 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1ccq n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ccq s LEU 9 N -2.00 4.37 0.00 1.53 0.20 -0.62 -4.99 118.68 117.17 1ccq s LEU 9 Ca 0.36 2.58 0.00 0.00 0.69 0.00 0.00 54.13 57.76 1ccq s LEU 9 Cb 0.16 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.35 1ccq s LEU 9 CO 0.28 -0.88 0.00 0.33 -0.29 0.00 0.00 176.35 175.79 1ccq n PHE 10 N 4.92 0.00 -3.24 5.38 7.35 -1.26 -3.88 117.46 126.73 1ccq n PHE 10 Ca 0.15 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.52 1ccq n PHE 10 Cb 0.39 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 1ccq n PHE 10 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ccq s SER 11 N -1.00 6.71 -0.05 -2.13 1.04 -1.26 -2.40 113.70 114.61 1ccq s SER 11 Ca 0.00 1.14 -0.31 0.00 0.48 0.00 0.00 55.95 57.26 1ccq s SER 11 Cb 0.00 -2.32 0.07 0.00 0.10 0.00 0.00 66.02 63.88 1ccq s SER 11 CO 0.00 -0.16 0.69 -0.75 0.98 0.00 0.00 173.24 174.00 1ccq s LYS 12 N -2.93 1.05 -0.19 4.02 2.20 -0.94 -4.97 119.74 117.98 1ccq s LYS 12 Ca 0.52 0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 56.16 1ccq s LYS 12 Cb -0.11 0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1ccq s LYS 12 CO 0.19 -0.33 0.73 0.99 -0.36 0.00 0.00 175.35 176.57 1ccq s THR 13 N -1.18 4.95 -0.41 3.43 2.01 -1.26 -1.83 115.64 121.34 1ccq s THR 13 Ca -0.11 1.40 -0.41 0.00 0.31 0.00 0.00 61.69 62.88 1ccq s THR 13 Cb -0.00 -4.04 -0.16 0.00 0.01 0.00 0.00 72.50 68.31 1ccq s THR 13 CO 0.10 0.06 1.96 0.00 -0.69 0.00 0.00 174.62 176.05 1ccq s PRO 15 N 4.94 1.58 0.02 0.00 0.04 -1.26 -4.79 135.00 135.52 1ccq s PRO 15 Ca 1.09 0.45 -0.39 0.00 0.04 0.00 0.00 61.00 62.19 1ccq s PRO 15 Cb -1.23 -1.88 -0.20 0.00 0.04 0.00 0.00 34.50 31.24 1ccq s PRO 15 CO 0.64 -1.93 1.06 0.00 0.04 0.00 0.00 177.00 176.81 1ccq n ALA 16 N -3.61 -3.47 0.00 8.56 0.00 -1.26 -1.67 120.51 119.05 1ccq n ALA 16 Ca 0.07 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ccq n ALA 16 Cb 0.58 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.58 3.24 3.38 0.00 0.00 -1.26 -5.05 105.19 107.08 1ccq n GLY 17 Ca 0.20 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 2.59 0.00 1.61 3.01 -0.67 -4.13 119.74 122.15 1ccq s LYS 18 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.18 1ccq s LYS 18 Cb 0.00 -2.31 0.00 0.00 -1.01 0.00 0.00 37.83 34.51 1ccq s LYS 18 CO 0.00 0.49 0.56 0.09 0.51 0.00 0.00 175.35 177.00 1ccq n ASN 19 N 2.67 0.41 -4.23 2.83 3.02 -0.95 -4.25 115.26 114.77 1ccq n ASN 19 Ca -0.17 -1.20 -0.13 0.00 -0.03 0.00 0.00 54.58 53.05 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 -0.20 2.48 -0.10 3.41 1.43 -0.98 -4.89 118.68 119.85 1ccq s LEU 20 Ca 0.00 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1ccq s LEU 20 Cb 0.00 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1ccq s LEU 20 CO 0.00 -0.40 -0.02 0.00 0.23 0.00 0.00 176.35 176.16 1ccq s TYR 22 N -0.61 2.40 -0.18 0.00 -0.85 -0.85 -2.13 117.35 115.13 1ccq s TYR 22 Ca 0.10 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.22 1ccq s TYR 22 Cb -0.12 -1.50 0.06 0.00 0.38 0.00 0.00 41.96 40.79 1ccq s TYR 22 CO 0.02 0.05 0.10 -1.59 -1.52 0.00 0.00 175.55 172.61 1ccq s LYS 23 N -0.80 0.07 -0.15 -3.49 -2.85 -0.86 -2.28 119.74 109.37 1ccq s LYS 23 Ca 0.11 -0.08 -0.09 0.00 -1.00 0.00 0.00 55.97 54.91 1ccq s LYS 23 Cb -0.10 -1.77 -0.05 0.00 -2.06 0.00 0.00 37.83 33.85 1ccq s LYS 23 CO 0.00 -0.68 0.16 1.41 0.10 0.00 0.00 175.35 176.34 1ccq s MET 24 N 2.15 3.83 0.28 1.78 1.75 -0.49 -2.35 119.30 126.25 1ccq s MET 24 Ca 0.03 -0.13 -0.07 0.00 -1.25 0.00 0.00 55.69 54.27 1ccq s MET 24 Cb -0.16 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 1ccq s MET 24 CO -0.10 0.54 0.42 -0.59 -0.65 0.00 0.00 175.02 174.63 1ccq s PHE 25 N -0.35 0.78 -0.15 4.11 -0.71 -1.00 -1.55 117.98 119.12 1ccq s PHE 25 Ca 0.12 -1.07 -0.16 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 41.60 1ccq s PHE 25 CO 0.02 -0.99 0.39 -1.64 -1.34 0.00 0.00 175.22 171.66 1ccq s MET 26 N -3.65 4.29 -0.63 1.99 -1.94 -1.26 -2.07 119.30 116.03 1ccq s MET 26 Ca 0.29 0.27 -0.25 0.00 -1.71 0.00 0.00 55.69 54.28 1ccq s MET 26 Cb 0.01 -3.44 -0.22 0.00 2.01 0.00 0.00 34.83 33.18 1ccq s MET 26 CO 0.14 0.17 1.84 1.55 -0.01 0.00 0.00 175.02 178.71 1ccq n VAL 27 N 3.71 1.10 0.00 -6.03 3.14 -1.07 -2.24 118.33 116.94 1ccq n VAL 27 Ca -0.09 -1.01 0.00 0.00 -2.96 0.00 0.00 64.34 60.28 1ccq n VAL 27 Cb 0.52 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 1ccq n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ccq n ALA 28 N 10.28 0.00 -3.89 1.55 0.00 -1.26 -5.02 120.51 122.17 1ccq n ALA 28 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 1ccq n ALA 28 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.45 3.45 -0.91 0.00 0.00 -0.95 -4.97 120.51 115.68 1ccq n ALA 29 Ca 0.00 -4.55 -0.23 0.00 0.00 0.00 0.00 53.44 48.66 1ccq n ALA 29 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 1.92 2.39 0.00 0.00 -0.04 -1.26 -3.01 135.00 135.00 1ccq n PRO 30 Ca 0.20 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1ccq n PRO 30 Cb 0.35 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.54 -1.24 -3.52 0.54 -0.00 -1.26 -5.07 115.22 108.21 1ccq n HIS 31 Ca 0.51 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.83 1ccq n HIS 31 Cb 0.33 0.47 -0.10 0.00 -0.00 0.00 0.00 29.99 30.68 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 -1.93 5.27 1.08 3.57 1.01 -1.16 -5.08 120.40 123.16 1ccq s VAL 32 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1ccq s VAL 32 Cb 0.00 -3.69 0.24 0.00 0.00 0.00 0.00 36.38 32.93 1ccq s VAL 32 CO 0.00 0.03 1.22 -2.16 0.00 0.00 0.00 175.10 174.19 1ccq s PRO 33 N 1.78 -0.31 0.06 2.72 0.04 -1.26 -4.74 135.00 133.29 1ccq s PRO 33 Ca 0.07 -0.26 -0.01 0.00 0.04 0.00 0.00 61.00 60.84 1ccq s PRO 33 Cb -0.17 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1ccq s PRO 33 CO 0.11 -3.07 -0.03 0.28 0.04 0.00 0.00 177.00 174.33 1ccq n VAL 34 N -4.26 1.02 -4.21 -0.36 0.31 -0.60 -4.99 118.33 105.24 1ccq n VAL 34 Ca 0.14 0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 64.61 1ccq n VAL 34 Cb 0.59 -1.62 -0.14 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.06 0.55 -0.08 5.55 1.02 -1.02 -5.02 119.74 118.69 1ccq s LYS 35 Ca -0.02 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 1ccq s LYS 35 Cb 0.00 -0.50 0.04 0.00 -0.52 0.00 0.00 37.83 36.85 1ccq s LYS 35 CO 0.03 0.13 0.16 1.03 -0.92 0.00 0.00 175.35 175.79 1ccq s ARG 36 N -0.45 0.09 0.00 1.68 0.52 -1.26 -1.39 118.95 118.14 1ccq s ARG 36 Ca 0.00 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 1ccq s ARG 36 Cb -0.04 -0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.24 1ccq s ARG 36 CO -0.00 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.52 1ccq n GLY 37 N 4.53 3.38 3.86 -3.53 0.00 -0.97 -4.10 105.19 108.37 1ccq n GLY 37 Ca -0.20 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.29 0.00 -0.22 0.00 2.07 -0.62 -4.72 121.20 115.42 1ccq s ILE 39 Ca 0.41 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.49 1ccq s ILE 39 Cb -0.06 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.43 1ccq s ILE 39 CO 0.27 0.00 -0.23 -0.90 -1.91 0.00 0.00 174.94 172.17 1ccq n ASP 40 N -0.20 1.92 -4.38 4.50 5.75 -1.26 -2.24 116.55 120.63 1ccq n ASP 40 Ca -0.17 0.39 -0.32 0.00 -0.01 0.00 0.00 54.79 54.68 1ccq n ASP 40 Cb 0.64 -0.83 -0.15 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.56 2.73 -0.32 2.12 0.11 -1.26 -4.66 120.40 116.55 1ccq s VAL 41 Ca -0.31 -0.82 -0.28 0.00 -2.93 0.00 0.00 61.98 57.65 1ccq s VAL 41 Cb 0.08 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1ccq s VAL 41 CO 0.45 0.57 1.00 0.00 -3.33 0.00 0.00 175.10 173.79 1ccq s PRO 43 N 3.50 -0.21 0.37 0.00 0.04 -1.26 -5.05 135.00 132.38 1ccq s PRO 43 Ca 0.42 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 1ccq s PRO 43 Cb -0.13 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1ccq s PRO 43 CO 0.15 -3.01 0.68 0.21 0.04 0.00 0.00 177.00 175.07 1ccq s LYS 44 N -5.63 3.68 0.51 4.56 2.20 -1.26 -4.94 119.74 118.86 1ccq s LYS 44 Ca 0.72 0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 56.53 1ccq s LYS 44 Cb -0.07 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1ccq s LYS 44 CO 0.54 0.05 0.77 -1.12 -0.36 0.00 0.00 175.35 175.23 1ccq s SER 45 N -3.29 5.78 0.34 1.43 0.01 -1.26 -4.74 113.70 111.97 1ccq s SER 45 Ca 0.47 0.51 0.01 0.00 1.31 0.00 0.00 55.95 58.25 1ccq s SER 45 Cb -0.10 -1.67 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 1ccq s SER 45 CO 0.32 -0.82 0.04 -1.54 0.41 0.00 0.00 173.24 171.65 1ccq n SER 46 N -2.28 2.32 0.06 2.44 3.41 -0.65 -5.01 113.62 113.91 1ccq n SER 46 Ca 0.02 -2.59 0.13 0.00 -0.26 0.00 0.00 58.87 56.17 1ccq n SER 46 Cb 0.57 0.44 0.30 0.00 -0.26 0.00 0.00 64.21 65.26 1ccq n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ccq n LEU 47 N 0.00 0.64 -0.02 1.04 4.77 -1.26 -4.33 117.00 117.84 1ccq n LEU 47 Ca -0.11 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1ccq n LEU 47 Cb 0.46 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1ccq n LEU 47 CO 0.24 -0.07 -0.16 -0.11 -1.33 0.00 0.00 177.39 175.97 1ccq n LEU 48 N -2.02 0.46 -4.95 2.23 0.00 -1.26 -4.88 117.00 106.57 1ccq n LEU 48 Ca 0.05 0.08 -0.23 0.00 0.00 0.00 0.00 56.01 55.91 1ccq n LEU 48 Cb 0.41 -0.56 -0.02 0.00 0.00 0.00 0.00 43.42 43.26 1ccq n LEU 48 CO 0.33 -0.45 0.08 0.54 0.00 0.00 0.00 177.39 177.89 1ccq s VAL 49 N -1.45 5.18 -0.07 1.96 0.11 -1.26 -2.61 120.40 122.26 1ccq s VAL 49 Ca -0.07 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1ccq s VAL 49 Cb 0.01 -3.86 0.03 0.00 -1.53 0.00 0.00 36.38 31.03 1ccq s VAL 49 CO 0.10 -0.45 -0.00 -0.54 -3.33 0.00 0.00 175.10 170.88 1ccq s LYS 50 N -4.14 0.64 -0.58 1.54 1.02 -0.88 -1.63 119.74 115.71 1ccq s LYS 50 Ca 0.37 0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.38 1ccq s LYS 50 Cb -0.09 -0.99 0.15 0.00 -0.52 0.00 0.00 37.83 36.38 1ccq s LYS 50 CO 0.33 -0.30 0.44 0.71 -0.92 0.00 0.00 175.35 175.61 1ccq s TYR 51 N 1.94 3.50 -0.17 3.18 2.02 -1.26 -2.37 117.35 124.18 1ccq s TYR 51 Ca 0.05 -2.25 -0.16 0.00 -0.37 0.00 0.00 57.07 54.33 1ccq s TYR 51 Cb -0.12 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 1ccq s TYR 51 CO -0.05 -0.94 0.41 0.08 -1.57 0.00 0.00 175.55 173.48 1ccq s VAL 52 N 0.62 5.20 0.30 0.71 1.01 -0.99 -4.74 120.40 122.51 1ccq s VAL 52 Ca 0.12 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.95 1ccq s VAL 52 Cb -0.21 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1ccq s VAL 52 CO -0.03 0.28 0.16 0.00 0.00 0.00 0.00 175.10 175.51 1ccq n ASN 55 N 1.09 5.71 -4.10 0.00 0.23 -1.26 -2.05 115.26 114.88 1ccq n ASN 55 Ca -0.20 -3.76 -0.09 0.00 -0.53 0.00 0.00 54.58 49.99 1ccq n ASN 55 Cb 0.56 -0.68 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 1ccq n ASN 55 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ccq s THR 56 N -5.36 0.41 0.42 5.53 -4.23 -1.26 -4.99 115.64 106.17 1ccq s THR 56 Ca 0.49 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1ccq s THR 56 Cb 0.41 -1.33 -0.08 0.00 1.34 0.00 0.00 72.50 72.84 1ccq s THR 56 CO -0.27 -0.83 1.17 -1.81 -0.54 0.00 0.00 174.62 172.34 1ccq s ASP 57 N -2.64 6.39 -1.47 3.99 1.01 -1.26 -3.22 116.67 119.47 1ccq s ASP 57 Ca 0.04 2.34 -0.08 0.00 0.71 0.00 0.00 52.55 55.56 1ccq s ASP 57 Cb 0.03 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1ccq s ASP 57 CO -0.06 -0.76 0.16 1.17 0.21 0.00 0.00 175.17 175.89 1ccq n LYS 58 N -0.13 -0.81 -0.14 8.23 4.81 -0.75 -4.83 118.16 124.54 1ccq n LYS 58 Ca 0.05 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.29 1ccq n LYS 58 Cb 0.47 -3.34 -0.10 0.00 0.02 0.00 0.00 35.03 32.08 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57