#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 1.24 0.06 3.23 2.20 -1.26 -2.16 119.74 123.05 1ccq s LYS 2 Ca 0.00 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1ccq s LYS 2 Cb 0.00 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1ccq s LYS 2 CO 0.00 -0.45 0.01 0.00 -0.36 0.00 0.00 175.35 174.55 1ccq s LYS 4 N -2.08 3.38 0.04 0.00 1.02 -1.26 -1.79 119.74 119.05 1ccq s LYS 4 Ca 0.24 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1ccq s LYS 4 Cb -0.12 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1ccq s LYS 4 CO 0.16 0.43 0.04 1.63 -0.92 0.00 0.00 175.35 176.69 1ccq n LYS 5 N -1.38 1.35 -2.49 1.68 5.02 -0.93 -4.36 118.16 117.05 1ccq n LYS 5 Ca -0.09 -0.26 -0.24 0.00 -2.02 0.00 0.00 58.31 55.70 1ccq n LYS 5 Cb 0.57 0.02 0.08 0.00 -0.02 0.00 0.00 35.03 35.69 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 3.02 0.26 -0.35 1.02 -1.26 -4.65 118.68 116.72 1ccq s LEU 6 Ca 0.03 -0.07 -0.28 0.00 0.02 0.00 0.00 54.13 53.83 1ccq s LEU 6 Cb -0.00 -2.48 -0.15 0.00 0.02 0.00 0.00 46.19 43.58 1ccq s LEU 6 CO 0.02 -1.65 0.89 0.55 0.02 0.00 0.00 176.35 176.17 1ccq n VAL 7 N -2.76 1.95 -1.54 -1.59 3.14 -1.26 -4.33 118.33 111.94 1ccq n VAL 7 Ca 0.12 -0.49 -0.29 0.00 -2.96 0.00 0.00 64.34 60.72 1ccq n VAL 7 Cb 0.60 -0.73 0.13 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.36 1.25 -0.19 1.45 0.04 -1.26 -5.03 135.00 129.90 1ccq s PRO 8 Ca 0.61 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 1ccq s PRO 8 Cb -0.77 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1ccq s PRO 8 CO 0.59 -2.13 2.15 -1.17 0.04 0.00 0.00 177.00 176.48 1ccq s LEU 9 N -6.00 3.59 -0.13 -3.56 1.98 -1.26 -4.90 118.68 108.39 1ccq s LEU 9 Ca 0.63 1.95 -0.08 0.00 -2.89 0.00 0.00 54.13 53.74 1ccq s LEU 9 Cb -0.15 -3.51 0.05 0.00 0.66 0.00 0.00 46.19 43.23 1ccq s LEU 9 CO 0.53 -1.81 0.32 0.12 -1.89 0.00 0.00 176.35 173.62 1ccq s PHE 10 N 7.66 -0.43 0.19 5.38 5.36 -1.26 -5.09 117.98 129.78 1ccq s PHE 10 Ca 0.97 0.97 -0.10 0.00 -0.96 0.00 0.00 56.93 57.81 1ccq s PHE 10 Cb -0.33 0.14 -0.07 0.00 -0.34 0.00 0.00 43.02 42.42 1ccq s PHE 10 CO 0.36 -0.25 0.52 -1.54 -1.46 0.00 0.00 175.22 172.84 1ccq s SER 11 N 1.01 6.66 -0.11 6.13 1.04 -1.26 -2.18 113.70 124.98 1ccq s SER 11 Ca -0.07 0.91 -0.05 0.00 0.48 0.00 0.00 55.95 57.22 1ccq s SER 11 Cb -0.07 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.88 1ccq s SER 11 CO -0.08 0.01 0.25 -0.75 0.98 0.00 0.00 173.24 173.65 1ccq s LYS 12 N -2.51 0.17 -0.04 4.02 2.20 -0.74 -4.94 119.74 117.90 1ccq s LYS 12 Ca 0.43 0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 56.36 1ccq s LYS 12 Cb -0.12 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1ccq s LYS 12 CO 0.21 -0.22 0.98 0.99 -0.36 0.00 0.00 175.35 176.94 1ccq s THR 13 N 1.79 4.85 -0.14 3.43 2.01 -1.26 -1.71 115.64 124.60 1ccq s THR 13 Ca -0.04 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.69 1ccq s THR 13 Cb -0.11 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 1ccq s THR 13 CO -0.08 0.11 1.99 0.00 -0.69 0.00 0.00 174.62 175.94 1ccq s PRO 15 N 5.35 2.53 0.06 0.00 0.04 -1.26 -4.84 135.00 136.88 1ccq s PRO 15 Ca 0.89 0.80 -0.37 0.00 0.04 0.00 0.00 61.00 62.36 1ccq s PRO 15 Cb -0.34 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.06 1ccq s PRO 15 CO 0.36 -1.35 1.06 0.00 0.04 0.00 0.00 177.00 177.11 1ccq n ALA 16 N -3.27 -2.74 0.00 8.56 0.00 -1.26 -1.56 120.51 120.24 1ccq n ALA 16 Ca 0.07 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1ccq n ALA 16 Cb 0.55 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.81 3.15 3.49 0.00 0.00 -1.26 -5.04 105.19 107.33 1ccq n GLY 17 Ca 0.19 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 3.65 0.00 1.61 3.01 -0.60 -4.08 119.74 123.34 1ccq s LYS 18 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 1ccq s LYS 18 Cb 0.00 -2.93 0.00 0.00 -1.01 0.00 0.00 37.83 33.89 1ccq s LYS 18 CO 0.00 0.21 0.59 0.09 0.51 0.00 0.00 175.35 176.75 1ccq n ASN 19 N 3.64 0.72 -4.37 2.83 3.02 -0.97 -4.36 115.26 115.77 1ccq n ASN 19 Ca -0.17 -1.31 -0.19 0.00 -0.03 0.00 0.00 54.58 52.87 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 -0.31 2.39 -0.14 3.41 1.43 -0.99 -4.91 118.68 119.56 1ccq s LEU 20 Ca 0.00 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1ccq s LEU 20 Cb 0.00 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.71 1ccq s LEU 20 CO 0.00 -0.38 -0.11 0.00 0.23 0.00 0.00 176.35 176.09 1ccq s TYR 22 N 0.42 2.85 -0.16 0.00 -0.85 -0.58 -2.12 117.35 116.91 1ccq s TYR 22 Ca -0.08 -0.06 -0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1ccq s TYR 22 Cb -0.15 -1.62 0.06 0.00 0.38 0.00 0.00 41.96 40.62 1ccq s TYR 22 CO 0.04 0.33 0.10 -1.59 -1.52 0.00 0.00 175.55 172.92 1ccq s LYS 23 N -1.19 0.06 -0.19 -3.49 -2.85 -0.80 -2.33 119.74 108.95 1ccq s LYS 23 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 55.97 55.03 1ccq s LYS 23 Cb -0.11 -1.62 -0.05 0.00 -2.06 0.00 0.00 37.83 33.99 1ccq s LYS 23 CO 0.05 -0.63 0.13 1.41 0.10 0.00 0.00 175.35 176.41 1ccq s MET 24 N 2.16 4.06 0.04 1.78 1.75 -0.41 -2.55 119.30 126.13 1ccq s MET 24 Ca 0.03 -0.20 -0.06 0.00 -1.25 0.00 0.00 55.69 54.21 1ccq s MET 24 Cb -0.16 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 1ccq s MET 24 CO -0.09 0.38 0.10 -0.59 -0.65 0.00 0.00 175.02 174.17 1ccq s PHE 25 N 0.12 0.21 -0.08 4.11 -0.12 -1.03 -1.52 117.98 119.68 1ccq s PHE 25 Ca 0.09 -0.53 -0.20 0.00 -0.05 0.00 0.00 56.93 56.24 1ccq s PHE 25 Cb -0.11 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1ccq s PHE 25 CO -0.01 -0.38 0.57 -1.64 -0.05 0.00 0.00 175.22 173.71 1ccq s MET 26 N -2.72 4.36 -0.67 1.99 -1.94 -1.26 -1.60 119.30 117.46 1ccq s MET 26 Ca -0.04 0.63 -0.26 0.00 -1.71 0.00 0.00 55.69 54.32 1ccq s MET 26 Cb -0.00 -3.42 -0.22 0.00 2.01 0.00 0.00 34.83 33.19 1ccq s MET 26 CO -0.05 0.17 1.85 1.55 -0.01 0.00 0.00 175.02 178.53 1ccq n VAL 27 N 3.53 1.04 0.00 -6.03 3.14 -1.03 -2.28 118.33 116.69 1ccq n VAL 27 Ca -0.05 -0.97 0.00 0.00 -2.96 0.00 0.00 64.34 60.36 1ccq n VAL 27 Cb 0.51 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 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 11.06 0.00 -3.81 1.55 0.00 -1.26 -5.02 120.51 123.03 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 -0.11 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 -1.43 3.56 -0.96 0.00 0.00 -0.97 -4.97 120.51 115.74 1ccq n ALA 29 Ca 0.00 -4.59 -0.28 0.00 0.00 0.00 0.00 53.44 48.58 1ccq n ALA 29 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 1.73 2.68 0.03 0.00 -0.04 -1.26 -3.05 135.00 135.09 1ccq n PRO 30 Ca 0.22 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1ccq n PRO 30 Cb 0.36 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 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 3.82 -2.17 -3.60 0.54 -0.00 -1.26 -5.09 115.22 107.47 1ccq n HIS 31 Ca 0.57 0.16 -0.38 0.00 -0.00 0.00 0.00 57.72 58.08 1ccq n HIS 31 Cb 0.22 0.83 -0.11 0.00 -0.00 0.00 0.00 29.99 30.93 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 -2.00 5.31 0.75 3.57 1.01 -1.17 -5.08 120.40 122.79 1ccq s VAL 32 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1ccq s VAL 32 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1ccq s VAL 32 CO 0.00 0.27 1.08 -2.16 0.00 0.00 0.00 175.10 174.29 1ccq s PRO 33 N 1.60 2.48 -0.22 2.72 0.04 -1.26 -4.79 135.00 135.57 1ccq s PRO 33 Ca 0.08 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 1ccq s PRO 33 Cb -0.15 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1ccq s PRO 33 CO 0.09 -1.38 -0.30 0.28 0.04 0.00 0.00 177.00 175.74 1ccq n VAL 34 N -3.29 1.51 -3.86 -0.36 0.31 -0.57 -5.02 118.33 107.04 1ccq n VAL 34 Ca 0.07 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1ccq n VAL 34 Cb 0.55 -2.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.66 0.16 -0.06 5.55 1.02 -1.01 -5.03 119.74 117.72 1ccq s LYS 35 Ca -0.32 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 1ccq s LYS 35 Cb 0.08 0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1ccq s LYS 35 CO 0.45 -0.03 0.12 1.03 -0.92 0.00 0.00 175.35 176.00 1ccq s ARG 36 N -0.27 0.06 0.00 1.68 0.52 -1.26 -1.29 118.95 118.38 1ccq s ARG 36 Ca -0.03 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1ccq s ARG 36 Cb -0.02 -0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.24 1ccq s ARG 36 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1ccq n GLY 37 N 4.29 2.46 3.99 -3.53 0.00 -0.98 -4.39 105.19 107.02 1ccq n GLY 37 Ca -0.25 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.32 0.00 -0.24 0.00 2.07 -0.78 -4.69 121.20 115.24 1ccq s ILE 39 Ca 0.49 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.63 1ccq s ILE 39 Cb -0.10 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.38 1ccq s ILE 39 CO 0.33 0.00 -0.29 -0.67 -1.91 0.00 0.00 174.94 172.40 1ccq n ASP 40 N -0.13 1.80 -4.23 4.50 2.03 -1.26 -2.29 116.55 116.97 1ccq n ASP 40 Ca -0.16 0.22 -0.33 0.00 0.52 0.00 0.00 54.79 55.03 1ccq n ASP 40 Cb 0.63 -0.64 -0.16 0.00 -0.72 0.00 0.00 41.12 40.23 1ccq n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ccq s VAL 41 N -2.44 2.40 -0.28 5.18 1.01 -1.26 -4.75 120.40 120.25 1ccq s VAL 41 Ca -0.33 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1ccq s VAL 41 Cb 0.12 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1ccq s VAL 41 CO 0.44 0.53 1.17 0.00 0.00 0.00 0.00 175.10 177.24 1ccq s PRO 43 N 3.74 -0.34 0.75 0.00 0.04 -1.26 -5.06 135.00 132.86 1ccq s PRO 43 Ca 0.50 -0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.18 1ccq s PRO 43 Cb -0.15 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1ccq s PRO 43 CO 0.17 -3.09 1.08 0.21 0.04 0.00 0.00 177.00 175.41 1ccq s LYS 44 N -5.68 2.08 0.25 4.56 2.20 -1.26 -4.96 119.74 116.93 1ccq s LYS 44 Ca 0.73 -0.12 0.08 0.00 -0.36 0.00 0.00 55.97 56.30 1ccq s LYS 44 Cb -0.06 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1ccq s LYS 44 CO 0.54 -1.40 0.08 -1.12 -0.36 0.00 0.00 175.35 173.09 1ccq s SER 45 N -4.55 4.96 0.32 1.43 0.01 -1.26 -4.64 113.70 109.98 1ccq s SER 45 Ca 0.61 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1ccq s SER 45 Cb -0.11 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.03 1ccq s SER 45 CO 0.46 -0.00 0.03 -1.54 0.41 0.00 0.00 173.24 172.60 1ccq n SER 46 N -0.91 2.35 0.09 2.44 3.41 -0.55 -5.02 113.62 115.44 1ccq n SER 46 Ca -0.07 -2.49 0.12 0.00 -0.26 0.00 0.00 58.87 56.17 1ccq n SER 46 Cb 0.58 0.39 0.25 0.00 -0.26 0.00 0.00 64.21 65.17 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 3.38 -2.03 -3.39 115.31 114.31 1ccq h LEU 47 Ca -0.26 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1ccq h LEU 47 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ccq h LEU 47 CO 0.43 0.05 -0.23 -0.11 0.09 0.00 0.00 178.44 178.67 1ccq n LEU 48 N -2.27 0.47 -4.85 1.67 7.94 -1.26 -4.84 117.00 113.87 1ccq n LEU 48 Ca 0.04 0.11 -0.37 0.00 -1.11 0.00 0.00 56.01 54.68 1ccq n LEU 48 Cb 0.45 -0.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 1ccq n LEU 48 CO 0.34 -0.45 0.12 -0.69 -1.11 0.00 0.00 177.39 175.60 1ccq s VAL 49 N -1.45 5.02 -0.24 1.96 1.01 -1.26 -2.47 120.40 122.96 1ccq s VAL 49 Ca -0.07 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1ccq s VAL 49 Cb 0.01 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1ccq s VAL 49 CO 0.10 0.46 -0.13 -0.54 0.00 0.00 0.00 175.10 174.99 1ccq s LYS 50 N -1.42 2.47 -0.51 2.72 -0.14 -0.63 -1.48 119.74 120.75 1ccq s LYS 50 Ca 0.28 -1.19 -0.12 0.00 -1.36 0.00 0.00 55.97 53.58 1ccq s LYS 50 Cb -0.16 -2.81 0.13 0.00 -1.68 0.00 0.00 37.83 33.30 1ccq s LYS 50 CO 0.16 -0.47 0.42 0.71 -0.76 0.00 0.00 175.35 175.41 1ccq s TYR 51 N 1.16 3.36 -0.17 3.18 2.02 -1.26 -2.45 117.35 123.19 1ccq s TYR 51 Ca -0.05 -1.64 -0.07 0.00 -0.37 0.00 0.00 57.07 54.95 1ccq s TYR 51 Cb -0.18 -3.63 -0.04 0.00 -0.40 0.00 0.00 41.96 37.71 1ccq s TYR 51 CO -0.07 -1.00 0.06 0.08 -1.57 0.00 0.00 175.55 173.04 1ccq s VAL 52 N 1.43 4.77 0.32 0.71 1.01 -1.06 -4.73 120.40 122.84 1ccq s VAL 52 Ca 0.05 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1ccq s VAL 52 Cb -0.27 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1ccq s VAL 52 CO 0.01 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 1ccq n ASN 55 N 1.44 6.98 -3.98 0.00 0.23 -1.26 -2.36 115.26 116.31 1ccq n ASN 55 Ca -0.20 -3.81 -0.09 0.00 -0.53 0.00 0.00 54.58 49.95 1ccq n ASN 55 Cb 0.56 -0.94 -0.11 0.00 -2.08 0.00 0.00 39.78 37.22 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 -5.14 0.12 0.55 5.53 -4.23 -1.26 -5.08 115.64 106.13 1ccq s THR 56 Ca 0.52 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.85 1ccq s THR 56 Cb 0.44 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.78 1ccq s THR 56 CO -0.35 -0.55 1.07 -1.81 -0.54 0.00 0.00 174.62 172.44 1ccq s ASP 57 N -1.65 5.90 -1.67 3.99 1.01 -1.26 -3.33 116.67 119.66 1ccq s ASP 57 Ca -0.13 1.95 -0.09 0.00 0.71 0.00 0.00 52.55 54.99 1ccq s ASP 57 Cb -0.07 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.39 1ccq s ASP 57 CO -0.02 -1.09 0.23 2.29 0.21 0.00 0.00 175.17 176.79 1ccq n LYS 58 N -1.53 -0.85 -0.13 8.23 2.85 -1.01 -4.79 118.16 120.92 1ccq n LYS 58 Ca 0.10 0.11 -0.25 0.00 -1.05 0.00 0.00 58.31 57.21 1ccq n LYS 58 Cb 0.52 -3.99 -0.10 0.00 -0.65 0.00 0.00 35.03 30.80 1ccq n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35