#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 3.79 -0.10 3.23 3.01 -1.26 -2.01 119.74 126.39 1ccq s LYS 2 Ca 0.00 -0.43 -0.05 0.00 -1.01 0.00 0.00 55.97 54.48 1ccq s LYS 2 Cb 0.00 -3.24 -0.04 0.00 -1.01 0.00 0.00 37.83 33.54 1ccq s LYS 2 CO 0.00 0.04 0.11 0.00 0.51 0.00 0.00 175.35 176.02 1ccq s LYS 4 N -1.08 2.53 0.06 0.00 1.02 -1.26 -2.12 119.74 118.89 1ccq s LYS 4 Ca 0.16 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1ccq s LYS 4 Cb -0.12 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1ccq s LYS 4 CO 0.05 0.06 0.00 1.63 -0.92 0.00 0.00 175.35 176.17 1ccq n LYS 5 N -1.29 1.71 -2.50 1.68 5.02 -0.55 -4.33 118.16 117.90 1ccq n LYS 5 Ca -0.02 -0.46 -0.24 0.00 -2.02 0.00 0.00 58.31 55.58 1ccq n LYS 5 Cb 0.61 0.14 0.09 0.00 -0.02 0.00 0.00 35.03 35.85 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 3.00 0.83 -0.35 1.02 -1.26 -4.70 118.68 117.21 1ccq s LEU 6 Ca 0.00 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 53.86 1ccq s LEU 6 Cb 0.00 -2.35 -0.15 0.00 0.02 0.00 0.00 46.19 43.71 1ccq s LEU 6 CO 0.00 -1.74 -0.58 0.52 0.02 0.00 0.00 176.35 174.58 1ccq n VAL 7 N -2.81 0.00 -0.03 -1.59 0.31 -1.26 -3.95 118.33 109.00 1ccq n VAL 7 Ca 0.13 -0.49 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 1ccq n VAL 7 Cb 0.60 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.42 1ccq n VAL 7 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ccq h PRO 8 N -0.67 0.11 -0.33 5.55 0.13 -2.08 -3.45 132.00 131.26 1ccq h PRO 8 Ca -0.42 -0.11 0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1ccq h PRO 8 Cb 1.32 0.03 -0.18 0.00 0.13 0.00 0.00 31.00 32.30 1ccq h PRO 8 CO 0.28 0.84 -0.14 -1.17 -0.23 0.00 0.00 178.00 177.58 1ccq s LEU 9 N -8.64 -0.52 -0.16 1.56 0.20 -1.25 -5.14 118.68 104.73 1ccq s LEU 9 Ca -0.16 -0.20 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 1ccq s LEU 9 Cb 0.01 0.79 0.05 0.00 -0.43 0.00 0.00 46.19 46.60 1ccq s LEU 9 CO 0.72 -0.06 -0.02 0.12 -0.29 0.00 0.00 176.35 176.81 1ccq s PHE 10 N 2.14 1.44 0.04 5.38 2.19 -1.26 -5.09 117.98 122.82 1ccq s PHE 10 Ca 0.17 -0.94 0.08 0.00 0.33 0.00 0.00 56.93 56.57 1ccq s PHE 10 Cb 0.01 -1.19 -0.03 0.00 -1.31 0.00 0.00 43.02 40.50 1ccq s PHE 10 CO -0.16 -0.59 -0.23 -1.54 1.83 0.00 0.00 175.22 174.54 1ccq s SER 11 N 1.72 3.42 -0.13 6.13 1.04 -1.26 -1.48 113.70 123.13 1ccq s SER 11 Ca 0.01 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.81 1ccq s SER 11 Cb -0.15 -0.42 0.04 0.00 0.10 0.00 0.00 66.02 65.58 1ccq s SER 11 CO -0.07 0.26 0.35 -0.75 0.98 0.00 0.00 173.24 174.01 1ccq s LYS 12 N -1.27 0.39 0.08 4.02 2.47 -0.90 -5.03 119.74 119.50 1ccq s LYS 12 Ca 0.13 0.51 -0.27 0.00 -1.56 0.00 0.00 55.97 54.77 1ccq s LYS 12 Cb -0.10 0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.37 1ccq s LYS 12 CO 0.03 -0.06 0.85 0.99 0.16 0.00 0.00 175.35 177.32 1ccq s THR 13 N 0.35 4.60 -0.19 3.43 2.01 -1.26 -2.04 115.64 122.53 1ccq s THR 13 Ca -0.01 1.83 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 1ccq s THR 13 Cb -0.03 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1ccq s THR 13 CO -0.01 0.36 2.20 0.00 -0.69 0.00 0.00 174.62 176.47 1ccq s PRO 15 N 6.16 1.33 0.06 0.00 0.04 -1.26 -4.83 135.00 136.49 1ccq s PRO 15 Ca 1.00 0.36 -0.37 0.00 0.04 0.00 0.00 61.00 62.02 1ccq s PRO 15 Cb -0.34 -1.86 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1ccq s PRO 15 CO 0.36 -2.08 1.30 0.00 0.04 0.00 0.00 177.00 176.61 1ccq n ALA 16 N -3.70 -1.48 0.00 8.56 0.00 -1.26 -1.61 120.51 121.02 1ccq n ALA 16 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ccq n ALA 16 Cb 0.59 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 2.37 3.18 3.65 0.00 0.00 -1.26 -5.06 105.19 108.07 1ccq n GLY 17 Ca 0.19 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 2.90 0.00 1.61 3.01 -0.63 -4.42 119.74 122.21 1ccq s LYS 18 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.50 1ccq s LYS 18 Cb 0.00 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 1ccq s LYS 18 CO 0.00 0.69 0.78 0.09 0.51 0.00 0.00 175.35 177.42 1ccq n ASN 19 N 2.17 0.00 -4.15 2.83 3.02 -1.07 -4.39 115.26 113.67 1ccq n ASN 19 Ca -0.18 -1.61 -0.11 0.00 -0.03 0.00 0.00 54.58 52.65 1ccq n ASN 19 Cb 0.53 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.00 2.48 -0.18 3.41 1.43 -0.91 -4.85 118.68 120.05 1ccq s LEU 20 Ca 0.00 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1ccq s LEU 20 Cb 0.00 -0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 1ccq s LEU 20 CO 0.00 -0.44 -0.09 0.00 0.23 0.00 0.00 176.35 176.05 1ccq s TYR 22 N 1.03 3.57 -0.10 0.00 -0.85 -0.52 -2.61 117.35 117.87 1ccq s TYR 22 Ca -0.00 0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 57.00 1ccq s TYR 22 Cb -0.15 -1.92 0.04 0.00 0.38 0.00 0.00 41.96 40.32 1ccq s TYR 22 CO -0.01 0.71 0.06 0.21 -1.52 0.00 0.00 175.55 175.01 1ccq s LYS 23 N -1.16 0.10 -0.18 -3.49 2.20 -0.97 -2.30 119.74 113.95 1ccq s LYS 23 Ca 0.17 0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.81 1ccq s LYS 23 Cb -0.12 -1.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.97 1ccq s LYS 23 CO 0.06 -0.48 0.09 1.41 -0.36 0.00 0.00 175.35 176.06 1ccq s MET 24 N 2.11 3.97 0.27 4.03 -2.45 -0.92 -2.22 119.30 124.10 1ccq s MET 24 Ca 0.03 -0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 54.11 1ccq s MET 24 Cb -0.14 -3.26 -0.01 0.00 1.25 0.00 0.00 34.83 32.67 1ccq s MET 24 CO -0.06 0.33 0.41 -0.59 1.05 0.00 0.00 175.02 176.16 1ccq s PHE 25 N 0.22 0.74 -0.10 4.11 -0.71 -1.03 -1.46 117.98 119.74 1ccq s PHE 25 Ca 0.06 -1.03 -0.20 0.00 -1.04 0.00 0.00 56.93 54.72 1ccq s PHE 25 Cb -0.12 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 1ccq s PHE 25 CO -0.00 -0.97 0.55 -1.64 -1.34 0.00 0.00 175.22 171.82 1ccq s MET 26 N -3.74 4.37 -0.77 1.99 -1.94 -1.26 -1.58 119.30 116.38 1ccq s MET 26 Ca 0.28 0.60 -0.25 0.00 -1.71 0.00 0.00 55.69 54.61 1ccq s MET 26 Cb 0.01 -3.44 -0.20 0.00 2.01 0.00 0.00 34.83 33.21 1ccq s MET 26 CO 0.13 0.13 1.88 1.55 -0.01 0.00 0.00 175.02 178.70 1ccq n VAL 27 N 3.70 1.19 0.00 -6.03 3.14 -1.04 -2.18 118.33 117.11 1ccq n VAL 27 Ca -0.05 -1.13 0.00 0.00 -2.96 0.00 0.00 64.34 60.20 1ccq n VAL 27 Cb 0.51 -2.16 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 11.58 0.00 -3.85 1.55 0.00 -1.26 -5.03 120.51 123.50 1ccq n ALA 28 Ca 0.46 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 19.77 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 -1.22 3.42 -0.89 0.00 0.00 -0.93 -4.97 120.51 115.92 1ccq n ALA 29 Ca 0.00 -4.46 -0.21 0.00 0.00 0.00 0.00 53.44 48.77 1ccq n ALA 29 Cb 0.00 -1.01 -0.07 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 1.95 2.26 0.00 0.00 -0.04 -1.26 -2.92 135.00 134.98 1ccq n PRO 30 Ca 0.21 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1ccq n PRO 30 Cb 0.36 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.40 -0.70 -3.53 0.54 -0.00 -1.26 -5.05 115.22 108.61 1ccq n HIS 31 Ca 0.48 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.78 1ccq n HIS 31 Cb 0.38 0.31 -0.09 0.00 -0.00 0.00 0.00 29.99 30.59 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 -1.63 4.66 0.94 3.57 1.01 -1.15 -5.08 120.40 122.73 1ccq s VAL 32 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 1ccq s VAL 32 Cb 0.00 -3.77 0.22 0.00 0.00 0.00 0.00 36.38 32.84 1ccq s VAL 32 CO 0.00 -0.46 1.03 -0.81 0.00 0.00 0.00 175.10 174.86 1ccq n PRO 33 N 5.03 -1.95 0.02 2.72 -0.04 -1.26 -4.71 135.00 134.81 1ccq n PRO 33 Ca -0.11 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1ccq n PRO 33 Cb 0.44 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.03 0.29 -4.32 0.52 0.31 -0.54 -4.99 118.33 105.57 1ccq n VAL 34 Ca 0.14 0.10 -0.20 0.00 -0.01 0.00 0.00 64.34 64.36 1ccq n VAL 34 Cb 0.49 -1.40 -0.11 0.00 -0.91 0.00 0.00 33.84 31.91 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 1.26 -0.28 5.55 1.02 -1.03 -4.99 119.74 119.27 1ccq s LYS 35 Ca 0.00 -1.43 -0.16 0.00 0.02 0.00 0.00 55.97 54.40 1ccq s LYS 35 Cb 0.00 -1.22 0.09 0.00 -0.52 0.00 0.00 37.83 36.19 1ccq s LYS 35 CO 0.00 0.23 0.72 1.03 -0.92 0.00 0.00 175.35 176.42 1ccq s ARG 36 N -3.01 0.65 0.00 1.68 0.52 -1.26 -2.16 118.95 115.38 1ccq s ARG 36 Ca 0.17 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1ccq s ARG 36 Cb -0.04 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.62 1ccq s ARG 36 CO 0.06 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1ccq n GLY 37 N 4.34 1.98 3.96 -3.53 0.00 -0.97 -4.62 105.19 106.35 1ccq n GLY 37 Ca -0.19 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.55 0.00 -0.18 0.00 2.07 -0.68 -4.68 121.20 115.18 1ccq s ILE 39 Ca 0.49 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.60 1ccq s ILE 39 Cb -0.10 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.42 1ccq s ILE 39 CO 0.37 0.00 -0.29 -0.90 -1.91 0.00 0.00 174.94 172.21 1ccq n ASP 40 N -0.07 1.69 -4.44 4.50 5.75 -1.26 -2.15 116.55 120.57 1ccq n ASP 40 Ca -0.10 0.29 -0.35 0.00 -0.01 0.00 0.00 54.79 54.62 1ccq n ASP 40 Cb 0.61 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.91 1ccq n ASP 40 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ccq s VAL 41 N -2.57 3.86 -0.06 2.12 -7.23 -1.26 -4.72 120.40 110.54 1ccq s VAL 41 Ca -0.28 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1ccq s VAL 41 Cb 0.08 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ccq s VAL 41 CO 0.38 0.44 1.42 0.00 -0.31 0.00 0.00 175.10 177.02 1ccq s PRO 43 N 3.11 0.42 0.71 0.00 0.04 -1.26 -5.05 135.00 132.97 1ccq s PRO 43 Ca 0.63 0.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 1ccq s PRO 43 Cb -0.29 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1ccq s PRO 43 CO 0.24 -2.63 1.08 0.21 0.04 0.00 0.00 177.00 175.93 1ccq s LYS 44 N -5.47 2.59 0.37 4.56 2.20 -1.26 -4.94 119.74 117.79 1ccq s LYS 44 Ca 0.68 0.24 0.08 0.00 -0.36 0.00 0.00 55.97 56.61 1ccq s LYS 44 Cb -0.11 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 1ccq s LYS 44 CO 0.54 -1.14 0.23 -1.12 -0.36 0.00 0.00 175.35 173.51 1ccq s SER 45 N -4.42 4.83 0.32 1.43 0.01 -1.26 -4.68 113.70 109.94 1ccq s SER 45 Ca 0.59 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 57.10 1ccq s SER 45 Cb -0.11 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1ccq s SER 45 CO 0.49 -0.44 0.09 -1.54 0.41 0.00 0.00 173.24 172.26 1ccq n SER 46 N -1.30 1.47 -0.01 2.44 3.41 -0.64 -5.02 113.62 113.96 1ccq n SER 46 Ca -0.01 -2.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.07 1ccq n SER 46 Cb 0.62 0.71 0.50 0.00 -0.26 0.00 0.00 64.21 65.77 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 0.22 -0.01 1.04 4.77 -1.26 -4.31 117.00 117.46 1ccq n LEU 47 Ca -0.06 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1ccq n LEU 47 Cb 0.47 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ccq n LEU 47 CO 0.25 0.05 -0.06 -0.11 -1.33 0.00 0.00 177.39 176.19 1ccq n LEU 48 N -1.43 0.21 -4.86 2.23 7.94 -1.26 -4.88 117.00 114.95 1ccq n LEU 48 Ca 0.08 0.03 -0.33 0.00 -1.11 0.00 0.00 56.01 54.68 1ccq n LEU 48 Cb 0.33 -0.39 -0.06 0.00 0.53 0.00 0.00 43.42 43.83 1ccq n LEU 48 CO 0.29 -0.49 0.25 0.54 -1.11 0.00 0.00 177.39 176.87 1ccq s VAL 49 N -1.20 4.87 -0.17 1.96 0.11 -1.26 -2.50 120.40 122.20 1ccq s VAL 49 Ca -0.03 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1ccq s VAL 49 Cb 0.00 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1ccq s VAL 49 CO 0.04 0.05 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.02 1ccq s LYS 50 N -2.47 1.81 -0.59 1.54 2.20 -0.61 -1.62 119.74 120.00 1ccq s LYS 50 Ca 0.44 -0.61 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 1ccq s LYS 50 Cb -0.13 -2.12 0.15 0.00 -1.51 0.00 0.00 37.83 34.22 1ccq s LYS 50 CO 0.20 -0.38 0.50 0.71 -0.36 0.00 0.00 175.35 176.02 1ccq s TYR 51 N 1.53 3.44 -0.20 4.03 2.02 -1.26 -2.47 117.35 124.44 1ccq s TYR 51 Ca 0.01 -1.78 -0.13 0.00 -0.37 0.00 0.00 57.07 54.80 1ccq s TYR 51 Cb -0.15 -3.64 -0.05 0.00 -0.40 0.00 0.00 41.96 37.72 1ccq s TYR 51 CO -0.08 -0.99 0.27 0.08 -1.57 0.00 0.00 175.55 173.26 1ccq s VAL 52 N 1.05 5.30 0.13 0.71 1.01 -0.94 -4.82 120.40 122.84 1ccq s VAL 52 Ca 0.08 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1ccq s VAL 52 Cb -0.23 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ccq s VAL 52 CO -0.01 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.32 1ccq n ASN 55 N 1.44 6.64 -4.10 0.00 6.94 -1.26 -2.40 115.26 122.52 1ccq n ASN 55 Ca -0.23 -3.80 -0.13 0.00 -0.02 0.00 0.00 54.58 50.40 1ccq n ASN 55 Cb 0.55 -0.87 -0.11 0.00 -2.36 0.00 0.00 39.78 36.99 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 -5.20 0.66 0.36 5.53 -4.23 -1.26 -5.08 115.64 106.43 1ccq s THR 56 Ca 0.51 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 1ccq s THR 56 Cb 0.43 -0.92 -0.09 0.00 1.34 0.00 0.00 72.50 73.26 1ccq s THR 56 CO -0.33 -0.47 1.20 -1.81 -0.54 0.00 0.00 174.62 172.67 1ccq s ASP 57 N -1.95 6.68 -1.46 3.99 1.01 -1.26 -3.09 116.67 120.60 1ccq s ASP 57 Ca -0.04 2.45 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 1ccq s ASP 57 Cb -0.07 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1ccq s ASP 57 CO -0.00 -0.57 0.25 0.29 0.21 0.00 0.00 175.17 175.35 1ccq n LYS 58 N 0.44 -2.14 -0.13 8.23 5.02 -1.13 -4.85 118.16 123.60 1ccq n LYS 58 Ca 0.02 0.26 -0.27 0.00 -2.02 0.00 0.00 58.31 56.31 1ccq n LYS 58 Cb 0.45 -4.05 -0.11 0.00 -0.02 0.00 0.00 35.03 31.30 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88