#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbo n TYR 2 N 0.00 2.16 -3.48 2.13 4.01 -1.26 -4.85 117.16 115.87 1bbo n TYR 2 Ca 0.00 -2.22 -0.42 0.00 -0.16 0.00 0.00 57.90 55.10 1bbo n TYR 2 Cb 0.00 -1.26 -0.07 0.00 -0.31 0.00 0.00 39.34 37.70 1bbo n TYR 2 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bbo s ILE 3 N -3.31 4.55 -0.31 -0.72 1.01 -1.26 -4.24 121.20 116.93 1bbo s ILE 3 Ca 0.52 -1.83 -0.38 0.00 0.00 0.00 0.00 60.65 58.96 1bbo s ILE 3 Cb 0.38 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 1bbo s ILE 3 CO -0.18 -0.83 1.99 0.00 0.00 0.00 0.00 174.94 175.93 1bbo h GLU 5 N 9.86 0.00 0.00 0.00 5.08 -1.95 0.38 114.58 127.95 1bbo h GLU 5 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1bbo h GLU 5 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1bbo h GLU 5 CO 1.00 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 180.46 1bbo h GLU 6 N 0.00 0.00 0.00 2.33 4.57 -2.01 -3.42 114.58 116.05 1bbo h GLU 6 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1bbo h GLU 6 Cb 0.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1bbo h GLU 6 CO -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 179.01 177.66 1bbo n GLY 8 N 1.65 1.62 3.69 0.00 0.00 0.13 -4.99 105.19 107.29 1bbo n GLY 8 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1bbo n GLY 8 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bbo n ILE 9 N -0.31 0.22 -3.91 -0.61 0.13 -1.26 -4.54 119.36 109.07 1bbo n ILE 9 Ca 0.00 -0.04 -0.21 0.00 -1.10 0.00 0.00 62.75 61.40 1bbo n ILE 9 Cb 0.00 -1.85 -0.03 0.00 -0.84 0.00 0.00 39.64 36.92 1bbo n ILE 9 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1bbo s ARG 10 N 2.08 3.17 0.00 9.51 3.52 -1.26 -2.44 118.95 133.52 1bbo s ARG 10 Ca 0.82 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1bbo s ARG 10 Cb -0.59 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1bbo s ARG 10 CO 0.39 0.33 0.49 1.63 -0.81 0.00 0.00 175.30 177.33 1bbo n LYS 12 N -1.38 0.00 -4.39 5.12 5.02 -1.26 -5.05 118.16 116.22 1bbo n LYS 12 Ca -0.06 -0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 55.55 1bbo n LYS 12 Cb 0.58 -0.45 -0.14 0.00 -0.02 0.00 0.00 35.03 34.99 1bbo n LYS 12 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bbo s LYS 13 N 0.00 0.82 0.03 1.97 1.02 -1.26 -5.07 119.74 117.25 1bbo s LYS 13 Ca 0.00 -0.46 -0.23 0.00 0.02 0.00 0.00 55.97 55.30 1bbo s LYS 13 Cb 0.00 -0.79 -0.13 0.00 -0.52 0.00 0.00 37.83 36.39 1bbo s LYS 13 CO 0.00 0.21 1.20 -1.00 -0.92 0.00 0.00 175.35 174.84 1bbo h PRO 14 N 5.63 -0.80 -1.24 -1.68 0.13 -2.01 -1.77 132.00 130.27 1bbo h PRO 14 Ca -0.33 0.05 0.44 0.00 -0.87 0.00 0.00 66.00 65.30 1bbo h PRO 14 Cb 1.18 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 1bbo h PRO 14 CO 0.48 -0.53 0.78 -1.13 -0.23 0.00 0.00 178.00 177.37 1bbo n SER 15 N -4.50 0.23 0.13 1.44 3.41 -1.26 0.18 113.62 113.25 1bbo n SER 15 Ca -0.10 1.37 -0.07 0.00 -0.26 0.00 0.00 58.87 59.81 1bbo n SER 15 Cb 0.33 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 1bbo n SER 15 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1bbo h MET 16 N 0.00 -0.39 0.47 4.33 2.86 -1.95 -2.75 114.93 117.49 1bbo h MET 16 Ca 0.83 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.48 1bbo h MET 16 Cb 2.59 0.09 0.00 0.00 0.06 0.00 0.00 31.60 34.34 1bbo h MET 16 CO -0.50 -0.23 -0.25 1.25 1.06 0.00 0.00 176.91 178.24 1bbo h LEU 17 N -1.09 -0.60 -0.87 1.22 7.12 0.14 -0.95 115.31 120.28 1bbo h LEU 17 Ca -0.04 0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.13 1bbo h LEU 17 Cb 0.35 0.16 -0.14 0.00 -0.53 0.00 0.00 40.66 40.50 1bbo h LEU 17 CO 0.07 -0.41 -0.32 1.17 -0.13 0.00 0.00 178.44 178.82 1bbo n LYS 18 N -5.38 -0.19 -0.19 1.25 3.00 0.49 0.13 118.16 117.27 1bbo n LYS 18 Ca -0.11 1.33 -0.10 0.00 -0.00 0.00 0.00 58.31 59.43 1bbo n LYS 18 Cb 0.28 -1.98 0.02 0.00 0.00 0.00 0.00 35.03 33.35 1bbo n LYS 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1bbo h LYS 19 N 0.00 1.04 -0.43 1.64 6.56 -1.20 -2.85 116.57 121.33 1bbo h LYS 19 Ca 0.32 -0.38 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1bbo h LYS 19 Cb 0.53 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 1bbo h LYS 19 CO -0.86 1.07 0.24 1.25 -2.06 0.00 0.00 179.45 179.08 1bbo h HIS 20 N 0.92 0.44 -0.04 -1.35 2.76 0.25 -1.37 115.15 116.77 1bbo h HIS 20 Ca 0.15 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1bbo h HIS 20 Cb 0.66 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1bbo h HIS 20 CO 0.05 0.24 -0.14 0.97 -1.30 0.00 0.00 177.93 177.75 1bbo h ILE 21 N 0.48 1.12 0.00 6.26 6.09 -0.50 -1.64 117.51 129.32 1bbo h ILE 21 Ca 0.18 -0.56 -0.07 0.00 -1.37 0.00 0.00 64.86 63.04 1bbo h ILE 21 Cb 0.05 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1bbo h ILE 21 CO -0.10 0.16 -0.32 0.03 -3.07 0.00 0.00 178.15 174.85 1bbo h ARG 22 N 0.05 0.00 0.00 2.19 3.08 -1.02 -2.49 114.38 116.18 1bbo h ARG 22 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1bbo h ARG 22 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1bbo h ARG 22 CO 0.02 0.32 -0.03 1.15 -1.07 0.00 0.00 179.97 180.37 1bbo h THR 23 N 0.00 0.71 0.00 2.04 2.02 -0.87 -1.41 112.91 115.40 1bbo h THR 23 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1bbo h THR 23 Cb 0.64 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1bbo h THR 23 CO 0.04 0.03 0.00 1.41 0.37 0.00 0.00 175.52 177.37 1bbo n HIS 24 N -4.05 0.00 0.00 3.16 8.25 -0.94 -4.38 115.22 117.26 1bbo n HIS 24 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1bbo n HIS 24 Cb 0.11 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1bbo n HIS 24 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bbo n THR 25 N 0.12 0.00 -2.04 1.59 -2.24 -0.53 -5.03 114.28 106.15 1bbo n THR 25 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1bbo n THR 25 Cb 0.19 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 1bbo n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bbo n ASP 26 N 0.00 -0.91 -2.47 3.42 8.00 -1.26 -4.96 116.55 118.37 1bbo n ASP 26 Ca 0.00 -2.00 -0.35 0.00 0.71 0.00 0.00 54.79 53.15 1bbo n ASP 26 Cb 0.00 0.28 0.06 0.00 -0.02 0.00 0.00 41.12 41.44 1bbo n ASP 26 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1bbo n VAL 27 N -0.01 3.47 -3.89 2.53 3.14 -1.26 -4.82 118.33 117.49 1bbo n VAL 27 Ca -0.26 -3.51 -0.30 0.00 -2.96 0.00 0.00 64.34 57.32 1bbo n VAL 27 Cb 0.73 -1.18 -0.12 0.00 -1.06 0.00 0.00 33.84 32.20 1bbo n VAL 27 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bbo s ARG 28 N -3.86 2.38 0.56 1.45 0.52 -1.26 -4.62 118.95 114.11 1bbo s ARG 28 Ca 0.59 -3.10 0.34 0.00 -0.52 0.00 0.00 55.73 53.05 1bbo s ARG 28 Cb 0.48 -3.44 1.56 0.00 0.52 0.00 0.00 34.95 34.07 1bbo s ARG 28 CO -0.12 -1.23 2.06 -1.00 0.02 0.00 0.00 175.30 175.03 1bbo h PRO 29 N 5.83 0.00 -6.12 3.54 0.14 -1.88 -3.40 132.00 130.11 1bbo h PRO 29 Ca 0.07 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.62 1bbo h PRO 29 Cb 0.81 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 31.85 1bbo h PRO 29 CO 0.72 0.04 1.44 0.71 0.14 0.00 0.00 178.00 181.05 1bbo s TYR 30 N -3.85 2.49 -0.17 1.56 2.02 -1.17 -4.96 117.35 113.28 1bbo s TYR 30 Ca -0.01 -0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 55.89 1bbo s TYR 30 Cb 0.11 -4.68 -0.04 0.00 -0.40 0.00 0.00 41.96 36.95 1bbo s TYR 30 CO 0.53 -1.95 0.07 -1.01 -1.57 0.00 0.00 175.55 171.63 1bbo s HIS 31 N 5.18 3.31 0.64 2.71 3.76 -1.26 -0.82 115.29 128.80 1bbo s HIS 31 Ca 0.46 0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 55.37 1bbo s HIS 31 Cb -0.01 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1bbo s HIS 31 CO -0.08 0.28 0.94 0.00 -0.85 0.00 0.00 174.74 175.04 1bbo n THR 33 N -1.95 0.61 0.06 0.00 -1.04 -1.26 -4.35 114.28 106.35 1bbo n THR 33 Ca 0.14 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1bbo n THR 33 Cb 0.48 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1bbo n THR 33 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bbo n TYR 34 N 0.14 -1.16 0.00 -1.42 4.02 -1.26 -5.12 117.16 112.36 1bbo n TYR 34 Ca 0.07 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1bbo n TYR 34 Cb 0.43 0.63 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 1bbo n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bbo n ASN 36 N 0.00 0.94 -4.86 0.00 2.85 -1.26 -4.72 115.26 108.22 1bbo n ASN 36 Ca 0.00 -1.32 -0.31 0.00 -0.11 0.00 0.00 54.58 52.84 1bbo n ASN 36 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 1bbo n ASN 36 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1bbo s PHE 37 N -0.32 3.49 0.05 1.20 5.36 -1.26 -4.92 117.98 121.58 1bbo s PHE 37 Ca 0.00 1.31 -0.09 0.00 -0.96 0.00 0.00 56.93 57.19 1bbo s PHE 37 Cb 0.00 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1bbo s PHE 37 CO 0.00 -0.85 0.19 0.45 -1.46 0.00 0.00 175.22 173.54 1bbo s SER 38 N -4.10 0.07 0.19 6.13 0.15 -1.26 -2.50 113.70 112.38 1bbo s SER 38 Ca 0.56 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.84 1bbo s SER 38 Cb -0.12 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1bbo s SER 38 CO 0.54 -0.60 -0.15 -0.36 1.20 0.00 0.00 173.24 173.87 1bbo s PHE 39 N -2.91 1.72 -0.73 3.44 0.40 -0.00 -4.97 117.98 114.94 1bbo s PHE 39 Ca -0.02 -0.54 0.25 0.00 -0.60 0.00 0.00 56.93 56.01 1bbo s PHE 39 Cb 0.01 -0.82 0.57 0.00 0.51 0.00 0.00 43.02 43.29 1bbo s PHE 39 CO -0.06 0.35 1.52 1.17 0.70 0.00 0.00 175.22 178.90 1bbo n LYS 40 N -0.19 0.24 -4.27 0.44 3.00 -1.26 -3.03 118.16 113.09 1bbo n LYS 40 Ca -0.09 0.12 -0.16 0.00 -0.00 0.00 0.00 58.31 58.17 1bbo n LYS 40 Cb 0.59 -1.70 -0.10 0.00 0.00 0.00 0.00 35.03 33.82 1bbo n LYS 40 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bbo s THR 41 N -3.12 1.36 -0.20 3.15 -4.23 -1.26 -4.88 115.64 106.46 1bbo s THR 41 Ca 0.09 -1.99 0.28 0.00 -1.18 0.00 0.00 61.69 58.88 1bbo s THR 41 Cb 0.14 -1.79 0.36 0.00 1.34 0.00 0.00 72.50 72.55 1bbo s THR 41 CO 0.66 -0.61 1.78 0.50 -0.54 0.00 0.00 174.62 176.42 1bbo h LYS 42 N 2.96 0.00 0.00 3.99 3.64 -1.99 -3.22 116.57 121.95 1bbo h LYS 42 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1bbo h LYS 42 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1bbo h LYS 42 CO 0.59 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.18 1bbo n GLY 43 N 0.62 -2.34 0.33 5.01 0.00 -1.26 -1.05 105.19 106.50 1bbo n GLY 43 Ca 0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.24 1bbo n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bbo h ASN 44 N 0.00 0.48 -0.07 1.61 4.21 -2.00 0.23 115.58 120.03 1bbo h ASN 44 Ca 0.00 0.17 0.02 0.00 1.21 0.00 0.00 56.30 57.71 1bbo h ASN 44 Cb 0.00 0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 1bbo h ASN 44 CO 0.00 -0.06 -0.08 0.25 -1.29 0.00 0.00 177.43 176.25 1bbo h LEU 45 N 0.39 -0.25 -1.59 1.61 7.12 -1.54 -0.37 115.31 120.69 1bbo h LEU 45 Ca 0.67 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.73 1bbo h LEU 45 Cb 1.41 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.64 1bbo h LEU 45 CO -0.57 -0.11 0.27 0.74 -0.13 0.00 0.00 178.44 178.64 1bbo h THR 46 N -0.10 1.11 -0.43 1.05 2.02 0.11 -1.62 112.91 115.04 1bbo h THR 46 Ca 0.06 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1bbo h THR 46 Cb 0.19 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1bbo h THR 46 CO -0.14 0.11 -0.16 0.50 0.37 0.00 0.00 175.52 176.20 1bbo h LYS 47 N 0.56 0.82 -0.07 6.66 3.64 -0.08 -1.76 116.57 126.33 1bbo h LYS 47 Ca 0.15 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1bbo h LYS 47 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1bbo h LYS 47 CO -0.03 0.92 -0.32 1.25 -2.27 0.00 0.00 179.45 179.00 1bbo h HIS 48 N 0.72 0.14 0.02 1.91 2.76 -0.15 -2.75 115.15 117.79 1bbo h HIS 48 Ca 0.11 -0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.05 1bbo h HIS 48 Cb 0.67 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1bbo h HIS 48 CO 0.04 0.44 -0.93 0.52 -1.30 0.00 0.00 177.93 176.70 1bbo h MET 49 N 0.11 0.15 0.00 5.26 2.86 -1.11 -3.07 114.93 119.13 1bbo h MET 49 Ca 0.01 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1bbo h MET 49 Cb 0.63 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1bbo h MET 49 CO 0.05 0.97 0.00 1.17 1.06 0.00 0.00 176.91 180.16 1bbo n LYS 50 N -3.59 0.13 -2.47 1.72 4.81 -0.69 -4.46 118.16 113.61 1bbo n LYS 50 Ca -0.03 0.55 -0.37 0.00 -0.87 0.00 0.00 58.31 57.59 1bbo n LYS 50 Cb 0.85 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 1bbo n LYS 50 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bbo s SER 51 N -3.94 6.61 0.00 3.14 0.15 -1.16 -4.86 113.70 113.64 1bbo s SER 51 Ca 0.00 2.11 0.03 0.00 0.70 0.00 0.00 55.95 58.78 1bbo s SER 51 Cb 0.07 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.94 1bbo s SER 51 CO 0.23 -0.60 0.64 2.29 1.20 0.00 0.00 173.24 177.00 1bbo n LYS 52 N -0.18 0.08 0.00 5.44 2.85 -1.26 -3.82 118.16 121.27 1bbo n LYS 52 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1bbo n LYS 52 Cb 0.49 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bbo n ALA 53 N -0.99 0.00 -3.27 0.58 0.00 -1.26 -4.72 120.51 110.85 1bbo n ALA 53 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1bbo n ALA 53 Cb 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1bbo n ALA 53 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1bbo s HIS 54 N -0.88 -1.19 -0.36 0.00 -3.43 -1.25 -5.01 115.29 103.18 1bbo s HIS 54 Ca 0.00 -0.04 0.13 0.00 -0.80 0.00 0.00 55.06 54.35 1bbo s HIS 54 Cb 0.00 0.03 0.42 0.00 -1.43 0.00 0.00 32.58 31.60 1bbo s HIS 54 CO 0.00 -1.08 1.28 0.43 -2.00 0.00 0.00 174.74 173.37 1bbo n SER 55 N 4.52 -0.76 -1.38 7.38 7.64 -1.26 -4.95 113.62 124.80 1bbo n SER 55 Ca 0.10 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1bbo n SER 55 Cb 0.52 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1bbo n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bbo n LYS 56 N -0.67 0.73 0.00 1.43 5.02 -1.26 -5.01 118.16 118.40 1bbo n LYS 56 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1bbo n LYS 56 Cb 0.84 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1bbo n LYS 56 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24