#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayj s PRO 2 N 0.00 0.68 0.00 0.03 0.04 -1.26 -3.73 135.00 130.76 2ayj s PRO 2 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2ayj s PRO 2 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2ayj s PRO 2 CO 0.00 -2.60 0.00 -0.11 0.04 0.00 0.00 177.00 174.33 2ayj n LEU 3 N -4.10 0.00 -0.63 -3.56 7.94 -1.26 -4.48 117.00 110.91 2ayj n LEU 3 Ca 0.06 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.99 2ayj n LEU 3 Cb 0.56 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.63 2ayj n LEU 3 CO 0.57 0.00 0.55 0.35 -1.11 0.00 0.00 177.39 177.75 2ayj n THR 4 N 0.00 0.53 -2.29 1.96 -2.24 -1.24 -4.90 114.28 106.09 2ayj n THR 4 Ca 0.00 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2ayj n THR 4 Cb 0.00 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 2ayj n THR 4 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2ayj s ASP 5 N -0.76 6.44 0.24 3.42 1.47 -1.25 -4.98 116.67 121.26 2ayj s ASP 5 Ca 0.17 1.60 0.11 0.00 1.18 0.00 0.00 52.55 55.61 2ayj s ASP 5 Cb 0.10 -2.51 0.22 0.00 -0.34 0.00 0.00 42.92 40.40 2ayj s ASP 5 CO 0.09 -0.71 1.53 1.55 0.68 0.00 0.00 175.17 178.31 2ayj h PRO 6 N 0.73 0.00 -1.76 2.11 0.13 -1.96 -3.46 132.00 127.79 2ayj h PRO 6 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2ayj h PRO 6 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2ayj h PRO 6 CO 0.61 0.69 0.36 0.00 -0.23 0.00 0.00 178.00 179.43 2ayj s ALA 7 N -3.33 -1.87 0.05 -0.56 0.00 -1.26 -5.16 121.76 109.63 2ayj s ALA 7 Ca -0.00 1.61 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 2ayj s ALA 7 Cb 0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 2ayj s ALA 7 CO 0.77 -0.32 0.63 0.15 0.00 0.00 0.00 175.76 176.99 2ayj s LYS 8 N -0.70 4.32 0.00 0.00 3.01 -1.26 -4.95 119.74 120.16 2ayj s LYS 8 Ca -0.04 0.82 0.10 0.00 -1.01 0.00 0.00 55.97 55.84 2ayj s LYS 8 Cb -0.02 -3.30 0.09 0.00 -1.01 0.00 0.00 37.83 33.60 2ayj s LYS 8 CO 0.03 0.49 0.85 1.28 0.51 0.00 0.00 175.35 178.50 2ayj n LEU 9 N 2.22 1.91 -4.94 3.17 4.32 -1.26 -5.02 117.00 117.39 2ayj n LEU 9 Ca -0.08 -1.09 -0.21 0.00 -0.02 0.00 0.00 56.01 54.61 2ayj n LEU 9 Cb 0.51 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2ayj n LEU 9 CO 0.43 0.38 0.11 -1.10 -1.22 0.00 0.00 177.39 176.00 2ayj s GLN 10 N -0.83 2.49 0.00 3.23 1.11 -1.26 -5.00 119.66 119.40 2ayj s GLN 10 Ca 0.12 -1.59 0.28 0.00 0.01 0.00 0.00 55.36 54.18 2ayj s GLN 10 Cb 0.08 -2.46 1.10 0.00 -1.01 0.00 0.00 33.01 30.73 2ayj s GLN 10 CO 0.12 -0.43 1.80 0.44 0.01 0.00 0.00 175.29 177.23 2ayj n ILE 11 N -1.80 0.00 -0.33 1.08 -6.64 -1.26 -4.30 119.36 106.12 2ayj n ILE 11 Ca 0.06 -0.03 0.10 0.00 -1.77 0.00 0.00 62.75 61.12 2ayj n ILE 11 Cb 0.62 -0.16 0.31 0.00 -1.44 0.00 0.00 39.64 38.96 2ayj n ILE 11 CO 0.00 0.00 0.00 -0.37 -1.77 0.00 0.00 176.55 174.41 2ayj h VAL 12 N 0.26 0.83 0.11 7.28 -1.51 -1.93 -2.93 116.25 118.37 2ayj h VAL 12 Ca 0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 2ayj h VAL 12 Cb 0.42 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 2ayj h VAL 12 CO 0.00 0.15 -0.05 -0.61 -1.23 0.00 0.00 177.57 175.83 2ayj h GLN 13 N 0.84 -0.14 -1.09 5.19 4.15 -2.00 -3.46 115.11 118.60 2ayj h GLN 13 Ca 0.51 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.84 2ayj h GLN 13 Cb 0.68 0.03 -0.20 0.00 0.21 0.00 0.00 27.48 28.20 2ayj h GLN 13 CO -0.28 -0.10 -0.47 -1.14 -1.93 0.00 0.00 178.83 174.91 2ayj s GLN 14 N -2.05 0.81 0.03 1.69 2.00 -1.17 -5.14 119.66 115.83 2ayj s GLN 14 Ca -0.02 -0.35 -0.06 0.00 -2.00 0.00 0.00 55.36 52.94 2ayj s GLN 14 Cb 0.00 0.01 -0.01 0.00 0.80 0.00 0.00 33.01 33.82 2ayj s GLN 14 CO 0.06 -1.20 0.10 1.03 -0.50 0.00 0.00 175.29 174.79 2ayj s ARG 15 N 1.77 0.53 0.00 1.67 0.52 -1.11 -5.00 118.95 117.33 2ayj s ARG 15 Ca 0.17 -0.63 0.28 0.00 -0.52 0.00 0.00 55.73 55.03 2ayj s ARG 15 Cb -0.05 0.21 1.58 0.00 0.52 0.00 0.00 34.95 37.21 2ayj s ARG 15 CO -0.07 -0.13 2.03 1.33 0.02 0.00 0.00 175.30 178.48 2ayj n VAL 16 N 1.06 0.01 -3.96 3.52 0.24 -1.26 -4.80 118.33 113.13 2ayj n VAL 16 Ca -0.21 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.34 61.79 2ayj n VAL 16 Cb 0.57 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 2ayj n VAL 16 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2ayj s PHE 17 N -1.99 3.44 0.52 6.34 0.08 -1.26 -5.04 117.98 120.07 2ayj s PHE 17 Ca 0.42 0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.60 2ayj s PHE 17 Cb 0.20 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 2ayj s PHE 17 CO 0.33 0.52 0.22 1.28 -0.10 0.00 0.00 175.22 177.47 2ayj n LEU 18 N -0.51 0.00 -5.01 -0.37 4.77 -1.26 -4.86 117.00 109.76 2ayj n LEU 18 Ca -0.07 -2.94 -0.22 0.00 -0.03 0.00 0.00 56.01 52.75 2ayj n LEU 18 Cb 0.54 0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.85 2ayj n LEU 18 CO 0.48 -0.52 0.47 -0.54 -1.33 0.00 0.00 177.39 175.95 2ayj s LYS 19 N -4.02 1.92 -0.10 3.23 -0.14 -1.26 -4.69 119.74 114.68 2ayj s LYS 19 Ca 0.17 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 2ayj s LYS 19 Cb -0.01 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 2ayj s LYS 19 CO 0.11 -1.22 -0.10 0.15 -0.76 0.00 0.00 175.35 173.53 2ayj s LYS 20 N -4.96 3.06 -0.16 1.68 1.02 -1.03 -0.67 119.74 118.68 2ayj s LYS 20 Ca 0.65 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 2ayj s LYS 20 Cb -0.05 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2ayj s LYS 20 CO 0.42 0.43 -0.03 0.54 -0.92 0.00 0.00 175.35 175.80 2ayj s VAL 21 N -0.21 3.97 0.09 3.17 0.11 0.01 0.11 120.40 127.65 2ayj s VAL 21 Ca 0.02 -0.33 -0.31 0.00 -2.93 0.00 0.00 61.98 58.43 2ayj s VAL 21 Cb -0.13 -2.75 -0.09 0.00 -1.53 0.00 0.00 36.38 31.88 2ayj s VAL 21 CO 0.03 0.49 1.77 0.00 -3.33 0.00 0.00 175.10 174.06 2ayj n ARG 23 N 5.87 0.84 -0.12 0.00 1.85 -0.10 -0.06 116.66 124.94 2ayj n ARG 23 Ca 0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.78 2ayj n ARG 23 Cb 0.39 -1.39 -0.08 0.00 -1.05 0.00 0.00 32.46 30.34 2ayj n ARG 23 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ayj n LYS 24 N -0.89 0.53 -0.07 2.89 4.76 -1.26 -4.72 118.16 119.40 2ayj n LYS 24 Ca 0.16 0.23 -0.12 0.00 -2.87 0.00 0.00 58.31 55.71 2ayj n LYS 24 Cb 0.07 -1.39 -0.15 0.00 -1.84 0.00 0.00 35.03 31.73 2ayj n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayj n GLY 26 N 1.77 0.67 3.62 0.00 0.00 0.92 -5.03 105.19 107.14 2ayj n GLY 26 Ca -0.29 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2ayj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ayj s ALA 27 N -2.00 3.52 -0.28 4.61 0.00 -1.24 -4.68 121.76 121.69 2ayj s ALA 27 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2ayj s ALA 27 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2ayj s ALA 27 CO 0.00 -1.25 0.83 -0.51 0.00 0.00 0.00 175.76 174.83 2ayj s LEU 28 N 3.06 4.07 0.17 0.00 1.02 -1.26 -0.16 118.68 125.59 2ayj s LEU 28 Ca 0.34 0.84 0.06 0.00 0.02 0.00 0.00 54.13 55.39 2ayj s LEU 28 Cb -0.14 -3.17 -0.04 0.00 0.02 0.00 0.00 46.19 42.87 2ayj s LEU 28 CO 0.13 -0.61 0.07 0.20 0.02 0.00 0.00 176.35 176.16 2ayj s ASN 29 N 1.52 5.14 0.75 2.29 0.01 0.12 -4.93 114.94 119.84 2ayj s ASN 29 Ca 0.35 -0.27 -0.14 0.00 -0.71 0.00 0.00 52.86 52.09 2ayj s ASN 29 Cb -0.14 -1.22 0.05 0.00 0.41 0.00 0.00 41.25 40.34 2ayj s ASN 29 CO 0.11 0.07 1.16 -2.16 -1.51 0.00 0.00 177.10 174.77 2ayj s PRO 30 N -3.06 2.10 0.53 -0.60 0.04 -1.26 -2.48 135.00 130.28 2ayj s PRO 30 Ca 0.29 1.56 0.36 0.00 0.04 0.00 0.00 61.00 63.26 2ayj s PRO 30 Cb -0.10 -1.85 1.94 0.00 0.04 0.00 0.00 34.50 34.54 2ayj s PRO 30 CO 0.21 -1.82 2.10 -0.84 0.04 0.00 0.00 177.00 176.69 2ayj h ILE 31 N -0.61 0.00 0.00 0.56 -2.65 -1.95 -0.62 117.51 112.24 2ayj h ILE 31 Ca -0.46 -0.00 -0.12 0.00 1.03 0.00 0.00 64.86 65.30 2ayj h ILE 31 Cb 1.27 0.80 -0.02 0.00 -2.05 0.00 0.00 36.82 36.82 2ayj h ILE 31 CO 0.49 0.00 -0.70 0.03 0.03 0.00 0.00 178.15 178.00 2ayj h ARG 32 N 0.00 0.00 -7.00 0.16 2.47 -1.94 -3.46 114.38 104.60 2ayj h ARG 32 Ca 0.00 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.25 2ayj h ARG 32 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2ayj h ARG 32 CO 0.00 0.49 0.39 0.00 0.56 0.00 0.00 179.97 181.41 2ayj s ALA 33 N -2.94 3.02 0.01 0.04 0.00 -0.24 -4.97 121.76 116.67 2ayj s ALA 33 Ca 0.03 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2ayj s ALA 33 Cb 0.08 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.71 2ayj s ALA 33 CO 0.76 -0.20 0.88 0.00 0.00 0.00 0.00 175.76 177.21 2ayj h THR 34 N 1.98 1.18 -3.07 0.00 1.03 -1.90 -3.47 112.91 108.66 2ayj h THR 34 Ca -0.49 -2.92 -0.13 0.00 -0.01 0.00 0.00 66.41 62.86 2ayj h THR 34 Cb 1.21 2.65 -0.03 0.00 -1.07 0.00 0.00 68.15 70.91 2ayj h THR 34 CO 0.61 0.74 -0.03 2.29 -0.01 0.00 0.00 175.52 179.13 2ayj n LYS 35 N -3.28 0.49 -1.98 0.00 2.85 -1.26 -4.73 118.16 110.24 2ayj n LYS 35 Ca -0.13 -1.60 -0.42 0.00 -1.05 0.00 0.00 58.31 55.11 2ayj n LYS 35 Cb 1.02 1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 37.00 2ayj n LYS 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayj n ARG 37 N 4.23 3.18 -0.06 0.00 1.85 -1.26 -0.31 116.66 124.29 2ayj n ARG 37 Ca 0.14 -1.83 -0.11 0.00 -1.00 0.00 0.00 57.85 55.05 2ayj n ARG 37 Cb 0.40 -1.90 -0.04 0.00 -1.05 0.00 0.00 32.46 29.86 2ayj n ARG 37 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ayj n ARG 38 N 0.40 0.26 0.00 2.89 3.00 -1.26 -4.83 116.66 117.12 2ayj n ARG 38 Ca 0.16 0.10 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 2ayj n ARG 38 Cb 0.77 -1.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.23 2ayj n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ayj n HIS 40 N -0.69 -3.14 -3.74 0.00 8.25 0.57 -5.00 115.22 111.48 2ayj n HIS 40 Ca 0.00 1.22 -0.12 0.00 -0.26 0.00 0.00 57.72 58.56 2ayj n HIS 40 Cb 0.01 -4.10 -0.12 0.00 1.12 0.00 0.00 29.99 26.90 2ayj n HIS 40 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2ayj s SER 41 N -2.88 -0.35 -0.12 0.41 0.01 -1.25 -4.85 113.70 104.67 2ayj s SER 41 Ca 0.08 0.66 0.02 0.00 1.31 0.00 0.00 55.95 58.02 2ayj s SER 41 Cb -0.02 0.60 0.19 0.00 0.21 0.00 0.00 66.02 67.00 2ayj s SER 41 CO 0.76 -0.15 1.19 0.35 0.41 0.00 0.00 173.24 175.80 2ayj n THR 42 N 3.64 1.49 -2.22 1.44 -2.24 -1.26 -1.58 114.28 113.55 2ayj n THR 42 Ca -0.19 -0.51 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 2ayj n THR 42 Cb 0.56 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2ayj n THR 42 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ayj n ASN 43 N 0.06 7.67 -4.77 3.42 2.85 -1.26 -4.94 115.26 118.29 2ayj n ASN 43 Ca 0.15 -3.39 -0.25 0.00 -0.11 0.00 0.00 54.58 50.98 2ayj n ASN 43 Cb 0.78 -1.26 -0.06 0.00 1.24 0.00 0.00 39.78 40.48 2ayj n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2ayj s LEU 44 N -3.10 3.69 -0.08 1.20 1.43 -1.26 -0.93 118.68 119.63 2ayj s LEU 44 Ca 0.48 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2ayj s LEU 44 Cb 0.21 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2ayj s LEU 44 CO -0.13 0.04 -0.09 0.00 0.23 0.00 0.00 176.35 176.40 2ayj s ARG 45 N -3.30 1.52 0.13 1.70 3.03 -0.08 -4.88 118.95 117.07 2ayj s ARG 45 Ca 0.31 -0.31 -0.31 0.00 2.03 0.00 0.00 55.73 57.45 2ayj s ARG 45 Cb -0.09 -1.42 -0.08 0.00 -1.03 0.00 0.00 34.95 32.34 2ayj s ARG 45 CO 0.23 -0.11 1.33 -1.17 -1.13 0.00 0.00 175.30 174.45 2ayj s LEU 46 N 1.14 4.38 -0.46 -1.89 1.98 -1.26 -0.81 118.68 121.76 2ayj s LEU 46 Ca -0.06 2.28 -0.27 0.00 -2.89 0.00 0.00 54.13 53.19 2ayj s LEU 46 Cb -0.14 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.09 2ayj s LEU 46 CO -0.02 -0.58 1.89 -0.54 -1.89 0.00 0.00 176.35 175.21 2ayj s LYS 47 N 0.78 2.92 0.00 1.98 -0.14 0.16 -4.30 119.74 121.13 2ayj s LYS 47 Ca 0.61 1.11 0.00 0.00 -1.36 0.00 0.00 55.97 56.33 2ayj s LYS 47 Cb -0.35 -4.32 0.00 0.00 -1.68 0.00 0.00 37.83 31.48 2ayj s LYS 47 CO 0.32 -2.35 0.00 1.17 -0.76 0.00 0.00 175.35 173.73 2ayj n LYS 48 N 8.79 0.00 -2.21 1.68 3.00 -1.26 -4.58 118.16 123.58 2ayj n LYS 48 Ca 0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.22 2ayj n LYS 48 Cb 0.50 -0.22 -0.04 0.00 0.00 0.00 0.00 35.03 35.26 2ayj n LYS 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2ayj s LYS 49 N 0.00 2.90 -0.01 1.64 2.47 -1.26 -4.48 119.74 120.99 2ayj s LYS 49 Ca 0.00 -1.29 -0.06 0.00 -1.56 0.00 0.00 55.97 53.06 2ayj s LYS 49 Cb 0.00 -5.30 -0.02 0.00 -1.46 0.00 0.00 37.83 31.05 2ayj s LYS 49 CO 0.00 -3.46 -0.12 -1.91 0.16 0.00 0.00 175.35 170.02 2ayj n GLU 50 N 8.38 0.18 -3.15 4.03 2.13 -1.26 -4.97 120.64 125.98 2ayj n GLU 50 Ca 0.45 0.07 -0.26 0.00 0.66 0.00 0.00 57.16 58.08 2ayj n GLU 50 Cb 0.47 -0.76 -0.01 0.00 0.27 0.00 0.00 31.44 31.40 2ayj n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2ayj s LEU 51 N -6.93 3.92 0.56 4.31 1.02 -1.26 -5.10 118.68 115.20 2ayj s LEU 51 Ca -0.10 0.67 -0.06 0.00 0.02 0.00 0.00 54.13 54.67 2ayj s LEU 51 Cb 0.01 -3.55 -0.00 0.00 0.02 0.00 0.00 46.19 42.67 2ayj s LEU 51 CO 0.15 -0.35 0.87 -2.16 0.02 0.00 0.00 176.35 174.88 2ayj s PRO 52 N -4.20 3.08 -0.07 1.29 0.04 -1.26 -5.05 135.00 128.81 2ayj s PRO 52 Ca 0.43 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 2ayj s PRO 52 Cb -0.10 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2ayj s PRO 52 CO 0.37 -0.57 0.98 0.99 0.04 0.00 0.00 177.00 178.81 2ayj s THR 53 N -2.92 4.82 0.26 1.26 2.01 -1.26 -5.02 115.64 114.79 2ayj s THR 53 Ca 0.52 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 64.24 2ayj s THR 53 Cb -0.10 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2ayj s THR 53 CO 0.45 0.06 1.07 -0.54 -0.69 0.00 0.00 174.62 174.97 2ayj s LYS 54 N 1.68 4.67 0.00 4.92 -0.14 -1.26 -4.12 119.74 125.49 2ayj s LYS 54 Ca 0.49 1.74 0.00 0.00 -1.36 0.00 0.00 55.97 56.84 2ayj s LYS 54 Cb -0.19 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2ayj s LYS 54 CO 0.21 0.24 0.00 1.17 -0.76 0.00 0.00 175.35 176.21 2ayj n LYS 55 N 1.40 0.00 -0.63 1.68 4.81 -1.26 -5.35 118.16 118.81 2ayj n LYS 55 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2ayj n LYS 55 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 2ayj n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98