#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hx2 s PHE 2 N 0.00 1.53 0.58 1.20 0.40 -1.26 -5.08 117.98 115.34 1hx2 s PHE 2 Ca 0.00 -1.44 -0.18 0.00 -0.60 0.00 0.00 56.93 54.71 1hx2 s PHE 2 Cb 0.00 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1hx2 s PHE 2 CO 0.00 -0.78 1.11 0.08 0.70 0.00 0.00 175.22 176.33 1hx2 s VAL 3 N 1.68 3.26 0.43 -0.44 1.01 -1.26 -4.46 120.40 120.63 1hx2 s VAL 3 Ca 0.05 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1hx2 s VAL 3 Cb -0.17 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1hx2 s VAL 3 CO -0.18 -0.24 0.02 0.00 0.00 0.00 0.00 175.10 174.70 1hx2 s PRO 5 N -3.78 1.79 0.18 0.00 0.05 -1.26 -5.04 135.00 126.93 1hx2 s PRO 5 Ca 0.25 -1.21 -0.33 0.00 0.05 0.00 0.00 61.00 59.76 1hx2 s PRO 5 Cb 0.07 -2.39 -0.14 0.00 0.05 0.00 0.00 34.50 32.09 1hx2 s PRO 5 CO 0.13 -1.34 1.57 -0.35 0.05 0.00 0.00 177.00 177.06 1hx2 n PRO 6 N -2.72 2.20 -0.05 0.56 -0.04 -1.26 -2.41 135.00 131.27 1hx2 n PRO 6 Ca 0.15 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1hx2 n PRO 6 Cb 0.61 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1hx2 n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hx2 n GLY 7 N 3.30 0.46 3.23 0.55 0.00 -1.26 -3.90 105.19 107.57 1hx2 n GLY 7 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1hx2 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hx2 s GLN 8 N -0.87 1.01 0.20 1.61 1.11 -1.01 -3.91 119.66 117.80 1hx2 s GLN 8 Ca 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 55.36 53.91 1hx2 s GLN 8 Cb 0.00 -0.56 -0.03 0.00 -1.01 0.00 0.00 33.01 31.42 1hx2 s GLN 8 CO 0.00 0.06 0.24 -0.08 0.01 0.00 0.00 175.29 175.52 1hx2 s THR 9 N -3.29 0.02 0.71 -0.19 -1.32 -0.59 -4.67 115.64 106.31 1hx2 s THR 9 Ca 0.15 -1.76 -0.16 0.00 -1.21 0.00 0.00 61.69 58.71 1hx2 s THR 9 Cb 0.02 -2.31 0.03 0.00 -1.51 0.00 0.00 72.50 68.74 1hx2 s THR 9 CO -0.00 -0.07 1.22 0.12 -2.21 0.00 0.00 174.62 173.67 1hx2 s PHE 10 N -4.09 2.07 -0.09 9.09 5.36 -1.26 -1.24 117.98 127.83 1hx2 s PHE 10 Ca 0.31 1.58 -0.22 0.00 -0.96 0.00 0.00 56.93 57.64 1hx2 s PHE 10 Cb 0.05 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.27 1hx2 s PHE 10 CO 0.09 -2.63 0.51 -1.14 -1.46 0.00 0.00 175.22 170.60 1hx2 s GLN 11 N -3.81 0.80 -0.04 10.12 0.74 0.03 -4.78 119.66 122.72 1hx2 s GLN 11 Ca 0.76 0.26 -0.22 0.00 0.05 0.00 0.00 55.36 56.21 1hx2 s GLN 11 Cb -0.30 0.37 -0.29 0.00 1.10 0.00 0.00 33.01 33.89 1hx2 s GLN 11 CO 0.44 -0.20 0.94 1.79 -0.55 0.00 0.00 175.29 177.71 1hx2 h THR 12 N 3.69 1.51 -3.44 -0.34 1.35 -1.80 -1.78 112.91 112.10 1hx2 h THR 12 Ca -0.28 -2.40 -0.71 0.00 -0.55 0.00 0.00 66.41 62.47 1hx2 h THR 12 Cb 1.16 3.06 -0.29 0.00 -1.73 0.00 0.00 68.15 70.35 1hx2 h THR 12 CO 0.32 0.68 -0.47 0.00 -0.25 0.00 0.00 175.52 175.80 1hx2 s ALA 14 N 1.38 -1.83 0.00 0.00 0.00 -0.45 -4.40 121.76 116.47 1hx2 s ALA 14 Ca 0.04 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1hx2 s ALA 14 Cb -0.23 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1hx2 s ALA 14 CO 0.01 -1.06 0.00 0.45 0.00 0.00 0.00 175.76 175.15 1hx2 n SER 15 N 5.42 0.00 -0.22 0.00 2.88 0.07 -0.74 113.62 121.03 1hx2 n SER 15 Ca -0.07 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1hx2 n SER 15 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1hx2 n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1hx2 n SER 16 N 0.00 0.80 -3.39 -3.46 2.88 -1.26 -4.77 113.62 104.43 1hx2 n SER 16 Ca 0.00 -2.01 -0.30 0.00 -1.33 0.00 0.00 58.87 55.23 1hx2 n SER 16 Cb 0.00 -0.18 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1hx2 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hx2 n PRO 18 N 0.52 1.80 -3.06 0.00 -0.04 -1.24 -4.35 135.00 128.64 1hx2 n PRO 18 Ca 0.31 0.64 -0.34 0.00 -0.04 0.00 0.00 63.50 64.07 1hx2 n PRO 18 Cb 0.38 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1hx2 n PRO 18 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1hx2 s LYS 19 N -2.19 4.17 0.34 0.54 -2.85 0.16 -4.95 119.74 114.97 1hx2 s LYS 19 Ca 0.62 0.85 0.07 0.00 -1.00 0.00 0.00 55.97 56.51 1hx2 s LYS 19 Cb -0.52 -2.60 -0.03 0.00 -2.06 0.00 0.00 37.83 32.63 1hx2 s LYS 19 CO 0.57 0.23 0.25 0.95 0.10 0.00 0.00 175.35 177.46 1hx2 s THR 20 N -1.81 0.09 0.57 3.79 -4.23 -1.26 -2.06 115.64 110.73 1hx2 s THR 20 Ca 0.51 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1hx2 s THR 20 Cb -0.13 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.58 1hx2 s THR 20 CO 0.19 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.46 1hx2 h GLU 22 N 0.00 0.00 0.00 0.00 -0.00 -1.87 -3.39 114.58 109.32 1hx2 h GLU 22 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1hx2 h GLU 22 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 1hx2 h GLU 22 CO -0.00 0.60 0.00 0.25 -0.00 0.00 0.00 179.01 179.86 1hx2 n THR 23 N -3.29 0.00 -0.08 -1.06 -2.24 -0.08 -4.88 114.28 102.64 1hx2 n THR 23 Ca 0.01 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1hx2 n THR 23 Cb 0.75 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1hx2 n THR 23 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hx2 n ARG 24 N -1.96 0.00 0.07 -0.78 1.74 -0.58 -4.74 116.66 110.41 1hx2 n ARG 24 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1hx2 n ARG 24 Cb 0.00 -3.88 0.34 0.00 -1.02 0.00 0.00 32.46 27.90 1hx2 n ARG 24 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1hx2 h ASN 25 N 0.00 0.34 -3.44 0.55 -0.26 -1.89 -3.43 115.58 107.44 1hx2 h ASN 25 Ca 0.00 -0.07 -0.66 0.00 -0.56 0.00 0.00 56.30 55.01 1hx2 h ASN 25 Cb 0.00 -0.09 -0.14 0.00 -1.06 0.00 0.00 38.32 37.03 1hx2 h ASN 25 CO 0.00 0.48 -0.69 -0.54 -1.06 0.00 0.00 177.43 175.62 1hx2 s LYS 26 N -4.77 2.44 -0.41 0.81 3.01 -1.26 -5.00 119.74 114.56 1hx2 s LYS 26 Ca -0.06 -0.86 0.05 0.00 -1.01 0.00 0.00 55.97 54.08 1hx2 s LYS 26 Cb 0.15 -2.48 0.52 0.00 -1.01 0.00 0.00 37.83 35.01 1hx2 s LYS 26 CO 0.75 0.54 1.64 1.28 0.51 0.00 0.00 175.35 180.07 1hx2 n LEU 27 N 0.78 5.61 -3.57 3.17 4.32 -1.26 -4.91 117.00 121.14 1hx2 n LEU 27 Ca -0.12 -4.05 -0.11 0.00 -0.02 0.00 0.00 56.01 51.71 1hx2 n LEU 27 Cb 0.52 -0.70 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 1hx2 n LEU 27 CO 0.36 1.43 0.36 0.68 -1.22 0.00 0.00 177.39 179.00 1hx2 s VAL 28 N -3.87 0.01 0.23 4.08 -7.23 -1.26 -4.32 120.40 108.05 1hx2 s VAL 28 Ca 0.53 -0.37 -0.08 0.00 -1.81 0.00 0.00 61.98 60.26 1hx2 s VAL 28 Cb 0.45 -1.29 0.37 0.00 0.56 0.00 0.00 36.38 36.47 1hx2 s VAL 28 CO 0.02 -0.05 1.32 -0.11 -0.31 0.00 0.00 175.10 175.97 1hx2 n LEU 29 N -0.37 -0.33 -3.59 1.32 -0.00 -1.26 -4.45 117.00 108.32 1hx2 n LEU 29 Ca -0.13 1.46 -0.05 0.00 -0.00 0.00 0.00 56.01 57.29 1hx2 n LEU 29 Cb 0.63 -0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 1hx2 n LEU 29 CO 0.14 -1.39 0.90 0.00 -0.00 0.00 0.00 177.39 177.03 1hx2 n ASP 31 N -0.22 0.33 0.32 0.00 2.03 -1.26 -4.15 116.55 113.60 1hx2 n ASP 31 Ca -0.04 -0.32 0.20 0.00 0.52 0.00 0.00 54.79 55.16 1hx2 n ASP 31 Cb 0.60 1.65 1.09 0.00 -0.72 0.00 0.00 41.12 43.74 1hx2 n ASP 31 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1hx2 h LYS 32 N 0.00 0.00 -2.15 -0.67 1.57 -1.97 -3.45 116.57 109.91 1hx2 h LYS 32 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1hx2 h LYS 32 Cb 0.84 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.97 1hx2 h LYS 32 CO 0.00 0.01 0.37 0.21 -0.57 0.00 0.00 179.45 179.47 1hx2 s LYS 33 N -4.18 0.91 -0.77 3.15 2.47 -1.26 -5.00 119.74 115.06 1hx2 s LYS 33 Ca -0.04 -0.06 0.03 0.00 -1.56 0.00 0.00 55.97 54.34 1hx2 s LYS 33 Cb 0.13 0.42 0.20 0.00 -1.46 0.00 0.00 37.83 37.13 1hx2 s LYS 33 CO 0.46 -0.34 0.65 0.00 0.16 0.00 0.00 175.35 176.28 1hx2 s ASN 35 N -1.28 6.77 -1.24 0.00 0.01 0.08 -4.42 114.94 114.86 1hx2 s ASN 35 Ca 0.28 0.94 -0.16 0.00 -0.71 0.00 0.00 52.86 53.21 1hx2 s ASN 35 Cb -0.02 -2.24 0.11 0.00 0.41 0.00 0.00 41.25 39.52 1hx2 s ASN 35 CO -0.12 0.24 1.59 0.00 -1.51 0.00 0.00 177.10 177.29 1hx2 s GLN 36 N -1.50 4.01 0.34 -0.60 -2.07 -1.10 -1.34 119.66 117.40 1hx2 s GLN 36 Ca 0.29 -2.21 0.07 0.00 -1.82 0.00 0.00 55.36 51.70 1hx2 s GLN 36 Cb -0.16 -5.32 -0.03 0.00 -1.09 0.00 0.00 33.01 26.42 1hx2 s GLN 36 CO 0.16 -2.04 0.26 0.54 -1.32 0.00 0.00 175.29 172.89 1hx2 n ARG 37 N 7.22 0.42 -1.62 9.60 1.74 -0.67 -4.82 116.66 128.53 1hx2 n ARG 37 Ca 0.43 -3.29 -0.29 0.00 -0.77 0.00 0.00 57.85 53.92 1hx2 n ARG 37 Cb 0.45 2.58 0.11 0.00 -1.02 0.00 0.00 32.46 34.58 1hx2 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hx2 n GLY 39 N -2.40 1.34 3.50 0.00 0.00 -0.37 -4.79 105.19 102.47 1hx2 n GLY 39 Ca 0.07 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1hx2 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hx2 s ILE 41 N -2.17 3.05 -1.01 0.00 1.09 -1.25 -4.57 121.20 116.34 1hx2 s ILE 41 Ca 0.64 0.34 -0.23 0.00 -1.10 0.00 0.00 60.65 60.30 1hx2 s ILE 41 Cb -0.28 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.42 1hx2 s ILE 41 CO 0.60 -0.44 1.63 -0.94 -0.10 0.00 0.00 174.94 175.69 1hx2 s SER 42 N -3.23 6.08 0.00 3.58 1.04 -1.26 -1.53 113.70 118.38 1hx2 s SER 42 Ca 0.62 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1hx2 s SER 42 Cb -0.18 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1hx2 s SER 42 CO 0.56 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1hx2 n GLY 43 N 6.75 0.72 3.62 7.32 0.00 -1.26 -5.04 105.19 117.30 1hx2 n GLY 43 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1hx2 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hx2 s THR 44 N 0.00 3.75 -0.05 2.61 -4.23 -0.58 -4.05 115.64 113.09 1hx2 s THR 44 Ca 0.00 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1hx2 s THR 44 Cb 0.00 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 1hx2 s THR 44 CO 0.00 0.35 -0.22 0.68 -0.54 0.00 0.00 174.62 174.89 1hx2 s VAL 45 N -1.05 1.80 -0.51 2.29 -7.23 -0.52 -4.19 120.40 110.98 1hx2 s VAL 45 Ca 0.19 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 1hx2 s VAL 45 Cb -0.11 -1.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 1hx2 s VAL 45 CO 0.09 0.51 2.40 -0.11 -0.31 0.00 0.00 175.10 177.68 1hx2 n LEU 46 N 2.94 2.08 0.00 1.32 7.94 -0.87 -0.98 117.00 129.42 1hx2 n LEU 46 Ca -0.17 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1hx2 n LEU 46 Cb 0.52 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1hx2 n LEU 46 CO 0.25 -1.18 0.00 1.17 -1.11 0.00 0.00 177.39 176.52 1hx2 n LYS 47 N 8.76 0.00 -4.54 1.96 4.81 0.20 -2.81 118.16 126.54 1hx2 n LYS 47 Ca 0.42 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.60 1hx2 n LYS 47 Cb 0.40 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.36 1hx2 n LYS 47 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1hx2 s SER 48 N -2.82 2.95 0.65 3.14 0.01 -1.26 -3.76 113.70 112.61 1hx2 s SER 48 Ca 0.00 -1.60 0.18 0.00 1.31 0.00 0.00 55.95 55.85 1hx2 s SER 48 Cb 0.00 0.35 0.95 0.00 0.21 0.00 0.00 66.02 67.53 1hx2 s SER 48 CO 0.00 -0.83 1.52 0.11 0.41 0.00 0.00 173.24 174.45 1hx2 h LYS 49 N 1.79 0.00 0.00 12.44 1.57 -1.97 -3.02 116.57 127.38 1hx2 h LYS 49 Ca -0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.20 1hx2 h LYS 49 Cb 1.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.45 1hx2 h LYS 49 CO 0.63 0.00 -0.26 -3.47 -0.57 0.00 0.00 179.45 175.78 1hx2 n ASP 50 N -2.86 -1.89 -1.72 0.86 2.03 -1.26 -5.00 116.55 106.71 1hx2 n ASP 50 Ca 0.02 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1hx2 n ASP 50 Cb 0.74 1.38 0.00 0.00 -0.72 0.00 0.00 41.12 42.52 1hx2 n ASP 50 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1hx2 n SER 51 N -0.09 0.00 -0.88 1.67 2.88 -1.14 -5.05 113.62 111.01 1hx2 n SER 51 Ca -0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 1hx2 n SER 51 Cb 0.76 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.21 1hx2 n SER 51 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hx2 n SER 52 N 0.00 0.03 -3.74 -3.46 3.41 -1.26 -4.97 113.62 103.63 1hx2 n SER 52 Ca 0.00 -1.76 -0.12 0.00 -0.26 0.00 0.00 58.87 56.73 1hx2 n SER 52 Cb 0.00 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 1hx2 n SER 52 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1hx2 s GLU 53 N 0.00 0.32 -0.01 4.33 -1.05 -1.25 -4.33 118.70 116.71 1hx2 s GLU 53 Ca 0.09 0.53 0.03 0.00 -0.15 0.00 0.00 54.97 55.47 1hx2 s GLU 53 Cb 0.10 0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1hx2 s GLU 53 CO -0.04 -0.10 -0.07 0.00 0.95 0.00 0.00 175.26 175.99 1hx2 s VAL 55 N -0.95 0.05 0.77 0.00 -7.23 -0.15 -4.77 120.40 108.12 1hx2 s VAL 55 Ca 0.16 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1hx2 s VAL 55 Cb -0.11 -0.13 0.01 0.00 0.56 0.00 0.00 36.38 36.71 1hx2 s VAL 55 CO 0.06 -0.22 0.78 1.41 -0.31 0.00 0.00 175.10 176.82 1hx2 n HIS 56 N 2.43 -0.03 0.31 2.82 8.25 -1.26 -1.44 115.22 126.30 1hx2 n HIS 56 Ca -0.17 0.36 0.19 0.00 -0.26 0.00 0.00 57.72 57.83 1hx2 n HIS 56 Cb 0.58 -1.99 1.01 0.00 1.12 0.00 0.00 29.99 30.71 1hx2 n HIS 56 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hx2 h PRO 57 N -0.58 0.00 0.00 -0.41 0.13 -1.93 -1.11 132.00 128.09 1hx2 h PRO 57 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hx2 h PRO 57 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1hx2 h PRO 57 CO 0.43 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 178.89 1hx2 h SER 58 N 0.00 0.00 0.00 1.44 4.64 -1.91 -3.32 113.55 114.39 1hx2 h SER 58 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1hx2 h SER 58 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1hx2 h SER 58 CO 0.00 0.00 -1.44 2.29 -0.87 0.00 0.00 176.83 176.82 1hx2 n LYS 59 N -2.96 0.89 0.00 4.77 2.85 -0.77 -5.27 118.16 117.68 1hx2 n LYS 59 Ca 0.04 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1hx2 n LYS 59 Cb 0.47 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1hx2 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35