#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 -0.62 -4.36 2.13 4.01 -1.26 -5.05 117.16 112.00 1bbo n TYR 2 Ca 0.00 -2.15 -0.32 0.00 -0.16 0.00 0.00 57.90 55.27 1bbo n TYR 2 Cb 0.00 0.68 -0.16 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.56 1.99 -0.53 -0.72 1.01 -1.26 -4.54 121.20 115.60 1bbo s ILE 3 Ca 0.21 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 1bbo s ILE 3 Cb 0.41 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1bbo s ILE 3 CO -0.05 0.53 1.83 0.00 0.00 0.00 0.00 174.94 177.25 1bbo h GLU 5 N 14.27 0.00 0.00 0.00 5.08 -1.95 0.17 114.58 132.15 1bbo h GLU 5 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1bbo h GLU 5 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1bbo h GLU 5 CO 1.16 0.00 -0.05 1.49 -1.00 0.00 0.00 179.01 180.61 1bbo h GLU 6 N 0.00 0.00 0.08 2.33 4.57 -1.98 -3.42 114.58 116.17 1bbo h GLU 6 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bbo h GLU 6 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1bbo h GLU 6 CO 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 179.01 177.79 1bbo n GLY 8 N 1.23 1.55 3.77 0.00 0.00 0.58 -5.06 105.19 107.26 1bbo n GLY 8 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1bbo n GLY 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bbo s ILE 9 N -1.69 2.97 0.21 -0.61 1.10 -1.25 -4.80 121.20 117.14 1bbo s ILE 9 Ca 0.00 0.77 0.09 0.00 -0.51 0.00 0.00 60.65 61.00 1bbo s ILE 9 Cb 0.00 -3.41 -0.05 0.00 0.15 0.00 0.00 42.46 39.15 1bbo s ILE 9 CO 0.00 0.03 -0.17 -0.60 -2.11 0.00 0.00 174.94 172.09 1bbo s ARG 10 N -2.54 1.40 0.00 3.50 3.00 -1.26 -2.06 118.95 120.99 1bbo s ARG 10 Ca 0.61 -1.60 0.00 0.00 -1.00 0.00 0.00 55.73 53.75 1bbo s ARG 10 Cb -0.31 -1.32 0.00 0.00 0.00 0.00 0.00 34.95 33.32 1bbo s ARG 10 CO 0.39 0.24 0.00 1.63 0.00 0.00 0.00 175.30 177.55 1bbo n LYS 12 N -0.31 3.31 -3.88 5.12 5.02 -1.26 -5.05 118.16 121.11 1bbo n LYS 12 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 1bbo n LYS 12 Cb 0.60 -0.35 -0.06 0.00 -0.02 0.00 0.00 35.03 35.20 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 -0.21 3.45 0.00 1.97 1.02 -1.26 -4.92 119.74 119.79 1bbo s LYS 13 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1bbo s LYS 13 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1bbo s LYS 13 CO 0.00 0.75 0.74 -0.35 -0.92 0.00 0.00 175.35 175.57 1bbo n PRO 14 N 1.67 0.00 -0.15 -1.68 -0.04 -1.26 -2.26 135.00 131.28 1bbo n PRO 14 Ca -0.17 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1bbo n PRO 14 Cb 0.54 -1.31 0.22 0.00 -0.04 0.00 0.00 33.50 32.91 1bbo n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bbo n SER 15 N -1.70 0.09 0.22 3.54 3.41 -1.26 0.15 113.62 118.07 1bbo n SER 15 Ca 0.00 0.76 -0.11 0.00 -0.26 0.00 0.00 58.87 59.25 1bbo n SER 15 Cb 0.00 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.59 0.42 4.33 2.86 -1.98 -2.67 114.93 117.29 1bbo h MET 16 Ca 0.35 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1bbo h MET 16 Cb 0.86 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1bbo h MET 16 CO -0.37 -0.32 -0.20 1.25 1.06 0.00 0.00 176.91 178.32 1bbo h LEU 17 N -1.08 -0.47 -0.78 1.22 7.12 0.16 -1.73 115.31 119.74 1bbo h LEU 17 Ca -0.06 -0.00 0.19 0.00 0.13 0.00 0.00 57.88 58.13 1bbo h LEU 17 Cb 0.54 0.12 -0.15 0.00 -0.53 0.00 0.00 40.66 40.65 1bbo h LEU 17 CO 0.10 -0.31 -0.08 1.17 -0.13 0.00 0.00 178.44 179.19 1bbo n LYS 18 N -5.32 -0.07 -0.06 1.25 3.00 0.39 0.20 118.16 117.56 1bbo n LYS 18 Ca -0.11 1.19 -0.16 0.00 -0.00 0.00 0.00 58.31 59.24 1bbo n LYS 18 Cb 0.25 -1.84 -0.06 0.00 0.00 0.00 0.00 35.03 33.37 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 0.75 -0.22 1.64 1.57 -1.14 -2.69 116.57 116.48 1bbo h LYS 19 Ca 0.43 -0.52 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1bbo h LYS 19 Cb 0.80 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1bbo h LYS 19 CO -0.77 1.15 -0.00 1.25 -0.57 0.00 0.00 179.45 180.51 1bbo h HIS 20 N 0.48 -0.01 0.00 -1.35 2.76 0.31 -1.02 115.15 116.32 1bbo h HIS 20 Ca -0.01 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1bbo h HIS 20 Cb 1.17 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1bbo h HIS 20 CO 0.09 -0.03 -0.18 0.97 -1.30 0.00 0.00 177.93 177.48 1bbo h ILE 21 N 0.07 1.04 0.00 6.26 6.09 -0.60 -1.64 117.51 128.74 1bbo h ILE 21 Ca 0.10 -0.62 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1bbo h ILE 21 Cb 0.13 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.76 1bbo h ILE 21 CO -0.18 0.17 -0.05 0.03 -3.07 0.00 0.00 178.15 175.06 1bbo h ARG 22 N 0.00 0.00 0.00 2.19 3.08 -0.86 -2.69 114.38 116.10 1bbo h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bbo h ARG 22 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1bbo h ARG 22 CO 0.02 0.05 0.00 1.15 -1.07 0.00 0.00 179.97 180.12 1bbo h THR 23 N 0.00 0.00 0.00 2.04 2.02 -0.65 -2.72 112.91 113.60 1bbo h THR 23 Ca -0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1bbo h THR 23 Cb 0.62 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1bbo h THR 23 CO 0.01 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.31 1bbo n HIS 24 N -2.84 0.00 0.00 3.16 8.25 -1.01 -4.51 115.22 118.27 1bbo n HIS 24 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1bbo n HIS 24 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.58 0.00 -2.12 1.59 -2.24 -1.03 -5.02 114.28 104.88 1bbo n THR 25 Ca 0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1bbo n THR 25 Cb 0.02 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.52 -2.61 3.42 8.00 -1.26 -4.95 116.55 118.62 1bbo n ASP 26 Ca 0.00 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 1bbo n ASP 26 Cb 0.00 0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.11 3.45 -3.83 2.53 3.14 -1.26 -4.81 118.33 117.67 1bbo n VAL 27 Ca -0.20 -3.47 -0.32 0.00 -2.96 0.00 0.00 64.34 57.40 1bbo n VAL 27 Cb 0.81 -1.34 -0.11 0.00 -1.06 0.00 0.00 33.84 32.14 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 -3.14 2.50 0.47 1.45 0.52 -1.26 -4.68 118.95 114.81 1bbo s ARG 28 Ca 0.54 -2.97 0.19 0.00 -0.52 0.00 0.00 55.73 52.97 1bbo s ARG 28 Cb 0.42 -3.56 1.17 0.00 0.52 0.00 0.00 34.95 33.51 1bbo s ARG 28 CO -0.26 -1.21 2.02 -1.35 0.02 0.00 0.00 175.30 174.52 1bbo h PRO 29 N 6.14 0.00 -6.12 3.54 0.11 -1.87 -3.40 132.00 130.40 1bbo h PRO 29 Ca 0.05 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.65 1bbo h PRO 29 Cb 0.84 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 1bbo h PRO 29 CO 0.73 0.16 1.23 0.71 -0.21 0.00 0.00 178.00 180.63 1bbo s TYR 30 N -4.47 1.90 -0.10 0.65 2.02 -1.14 -4.94 117.35 111.28 1bbo s TYR 30 Ca -0.04 0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1bbo s TYR 30 Cb 0.15 -4.30 -0.03 0.00 -0.40 0.00 0.00 41.96 37.38 1bbo s TYR 30 CO 0.65 -2.21 -0.07 -1.01 -1.57 0.00 0.00 175.55 171.35 1bbo s HIS 31 N 7.80 2.94 0.56 2.71 3.76 -1.26 -0.33 115.29 131.47 1bbo s HIS 31 Ca 0.55 -0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 55.09 1bbo s HIS 31 Cb -0.11 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 1bbo s HIS 31 CO 0.18 0.15 1.29 0.00 -0.85 0.00 0.00 174.74 175.51 1bbo n THR 33 N -1.21 0.00 0.03 0.00 -1.04 -1.26 -4.28 114.28 106.53 1bbo n THR 33 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1bbo n THR 33 Cb 0.45 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.31 -0.52 -0.06 -1.42 4.02 -1.26 -5.12 117.16 112.50 1bbo n TYR 34 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1bbo n TYR 34 Cb 0.09 0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 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 -0.98 1.29 -4.87 0.00 2.85 -1.26 -4.66 115.26 107.62 1bbo n ASN 36 Ca 0.00 -1.45 -0.31 0.00 -0.11 0.00 0.00 54.58 52.71 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 -0.45 3.54 0.14 1.20 5.36 -1.26 -4.92 117.98 121.58 1bbo s PHE 37 Ca 0.00 1.22 -0.08 0.00 -0.96 0.00 0.00 56.93 57.11 1bbo s PHE 37 Cb 0.00 -2.82 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1bbo s PHE 37 CO 0.00 -0.83 0.23 0.45 -1.46 0.00 0.00 175.22 173.62 1bbo s SER 38 N -4.23 0.09 0.14 6.13 0.15 -1.26 -2.59 113.70 112.14 1bbo s SER 38 Ca 0.56 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1bbo s SER 38 Cb -0.11 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1bbo s SER 38 CO 0.53 -0.83 -0.06 -0.36 1.20 0.00 0.00 173.24 173.73 1bbo s PHE 39 N -3.94 1.14 -0.50 3.44 0.40 0.54 -4.99 117.98 114.07 1bbo s PHE 39 Ca 0.14 -0.88 0.24 0.00 -0.60 0.00 0.00 56.93 55.83 1bbo s PHE 39 Cb 0.04 -0.62 0.24 0.00 0.51 0.00 0.00 43.02 43.19 1bbo s PHE 39 CO -0.03 -0.07 1.26 -0.22 0.70 0.00 0.00 175.22 176.86 1bbo h LYS 40 N 2.81 0.00 -5.28 0.44 1.63 -1.87 -3.01 116.57 111.28 1bbo h LYS 40 Ca -0.36 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.06 1bbo h LYS 40 Cb 1.19 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.65 1bbo h LYS 40 CO 0.64 0.00 -0.74 0.95 -3.45 0.00 0.00 179.45 176.85 1bbo s THR 41 N -3.23 1.30 -0.09 1.00 -4.23 -1.26 -4.87 115.64 104.26 1bbo s THR 41 Ca 0.04 -1.90 0.27 0.00 -1.18 0.00 0.00 61.69 58.92 1bbo s THR 41 Cb 0.12 -1.70 0.32 0.00 1.34 0.00 0.00 72.50 72.58 1bbo s THR 41 CO 0.74 -0.57 1.79 0.50 -0.54 0.00 0.00 174.62 176.54 1bbo h LYS 42 N 3.13 0.00 0.85 3.99 3.64 -1.99 -3.21 116.57 122.98 1bbo h LYS 42 Ca -0.38 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1bbo h LYS 42 Cb 1.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1bbo h LYS 42 CO 0.57 0.08 -0.41 0.78 -2.27 0.00 0.00 179.45 178.20 1bbo h GLY 43 N 2.80 -1.20 0.46 5.01 0.00 -2.00 -2.19 103.07 105.96 1bbo h GLY 43 Ca -0.00 0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.92 1bbo h GLY 43 CO 0.01 -0.44 0.60 3.43 0.00 0.00 0.00 176.54 180.14 1bbo h ASN 44 N -1.22 0.75 0.12 0.19 2.35 -2.00 -1.66 115.58 114.12 1bbo h ASN 44 Ca -0.12 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1bbo h ASN 44 Cb 0.89 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.12 1bbo h ASN 44 CO 0.19 0.37 -0.29 0.25 -1.65 0.00 0.00 177.43 176.30 1bbo h LEU 45 N 0.79 -0.83 -1.43 1.61 7.12 -1.49 -0.15 115.31 120.93 1bbo h LEU 45 Ca 0.48 0.10 0.21 0.00 0.13 0.00 0.00 57.88 58.79 1bbo h LEU 45 Cb 0.68 0.31 -0.07 0.00 -0.53 0.00 0.00 40.66 41.05 1bbo h LEU 45 CO -0.24 -0.38 0.61 0.74 -0.13 0.00 0.00 178.44 179.04 1bbo h THR 46 N -0.51 0.67 -0.77 1.05 2.02 -0.68 0.25 112.91 114.93 1bbo h THR 46 Ca 0.03 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1bbo h THR 46 Cb 0.54 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1bbo h THR 46 CO -0.17 0.08 0.33 0.50 0.37 0.00 0.00 175.52 176.64 1bbo h LYS 47 N 0.46 1.14 -0.40 6.66 3.11 -0.66 -0.28 116.57 126.59 1bbo h LYS 47 Ca 0.50 -0.20 -0.06 0.00 -2.81 0.00 0.00 60.65 58.08 1bbo h LYS 47 Cb 1.17 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 1bbo h LYS 47 CO -0.21 0.92 0.02 1.25 -2.81 0.00 0.00 179.45 178.61 1bbo h HIS 48 N 1.11 0.76 -0.09 1.91 2.76 0.37 -2.72 115.15 119.26 1bbo h HIS 48 Ca 0.26 -0.13 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1bbo h HIS 48 Cb 0.18 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1bbo h HIS 48 CO 0.02 0.77 -0.23 0.52 -1.30 0.00 0.00 177.93 177.70 1bbo h MET 49 N 0.54 0.15 -0.53 5.26 2.86 -1.06 -3.07 114.93 119.08 1bbo h MET 49 Ca 0.12 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1bbo h MET 49 Cb 0.45 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.00 1bbo h MET 49 CO 0.02 0.38 -0.42 -0.22 1.06 0.00 0.00 176.91 177.73 1bbo h LYS 50 N 0.14 -0.24 -6.47 1.72 3.11 -0.71 -3.41 116.57 110.70 1bbo h LYS 50 Ca 0.02 0.02 -0.59 0.00 -2.81 0.00 0.00 60.65 57.29 1bbo h LYS 50 Cb 0.50 0.05 0.16 0.00 -1.00 0.00 0.00 32.23 31.94 1bbo h LYS 50 CO 0.03 -0.16 -0.34 0.45 -2.81 0.00 0.00 179.45 176.62 1bbo n SER 51 N -5.41 -0.78 -1.57 4.20 2.88 -1.16 -4.77 113.62 107.00 1bbo n SER 51 Ca 0.01 0.81 -0.04 0.00 -1.33 0.00 0.00 58.87 58.32 1bbo n SER 51 Cb 0.35 -1.17 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 1bbo n SER 51 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bbo n LYS 52 N 0.13 1.21 0.05 -1.46 0.00 -1.26 -4.40 118.16 112.43 1bbo n LYS 52 Ca 0.11 -0.42 -0.03 0.00 -0.00 0.00 0.00 58.31 57.98 1bbo n LYS 52 Cb 0.45 -1.17 -0.01 0.00 -0.00 0.00 0.00 35.03 34.30 1bbo n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bbo h ALA 53 N 1.19 -0.40 -1.13 0.58 0.00 -1.86 -3.46 119.26 114.18 1bbo h ALA 53 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bbo h ALA 53 Cb 1.00 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 1bbo h ALA 53 CO 0.20 -0.39 -0.45 -3.38 0.00 0.00 0.00 179.25 175.23 1bbo s HIS 54 N -2.20 -1.61 -0.34 0.00 -3.43 -1.26 -5.03 115.29 101.42 1bbo s HIS 54 Ca -0.02 0.48 0.15 0.00 -0.80 0.00 0.00 55.06 54.87 1bbo s HIS 54 Cb 0.00 0.22 0.41 0.00 -1.43 0.00 0.00 32.58 31.79 1bbo s HIS 54 CO 0.07 -1.11 0.87 0.43 -2.00 0.00 0.00 174.74 173.00 1bbo n SER 55 N 4.85 1.12 0.00 7.38 7.64 -1.26 -4.95 113.62 128.39 1bbo n SER 55 Ca 0.08 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1bbo n SER 55 Cb 0.54 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.07 0.00 0.00 1.43 5.02 -1.26 -5.18 118.16 118.24 1bbo n LYS 56 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1bbo n LYS 56 Cb 0.76 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 1bbo n LYS 56 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05