#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khk n ALA 2 N 0.00 0.00 -2.65 3.17 0.00 -1.26 -5.02 120.51 114.74 2khk n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2khk n ALA 2 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2khk n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khk n ALA 3 N -1.85 0.60 0.26 0.00 0.00 -1.26 -4.97 120.51 113.28 2khk n ALA 3 Ca 0.00 -0.85 0.11 0.00 0.00 0.00 0.00 53.44 52.70 2khk n ALA 3 Cb 0.00 -0.88 0.69 0.00 0.00 0.00 0.00 19.45 19.26 2khk n ALA 3 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2khk h ILE 4 N 2.01 0.67 -4.33 0.00 -0.00 -1.95 -3.45 117.51 110.46 2khk h ILE 4 Ca -0.35 -0.55 -0.20 0.00 -0.00 0.00 0.00 64.86 63.76 2khk h ILE 4 Cb 1.25 1.34 -0.13 0.00 -0.00 0.00 0.00 36.82 39.28 2khk h ILE 4 CO -0.13 0.13 -0.47 -1.61 -0.00 0.00 0.00 178.15 176.07 2khk s GLU 5 N -4.27 1.32 0.60 0.16 2.02 -1.26 -5.03 118.70 112.24 2khk s GLU 5 Ca -0.03 -1.54 0.34 0.00 0.02 0.00 0.00 54.97 53.76 2khk s GLU 5 Cb 0.14 0.33 1.91 0.00 0.10 0.00 0.00 34.13 36.60 2khk s GLU 5 CO 0.60 -0.47 2.23 0.87 0.02 0.00 0.00 175.26 178.52 2khk h LYS 6 N 2.50 0.00 -5.73 1.61 6.56 -2.02 -3.37 116.57 116.12 2khk h LYS 6 Ca -0.33 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.65 2khk h LYS 6 Cb 1.25 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.78 2khk h LYS 6 CO 0.47 0.03 1.01 1.03 -2.06 0.00 0.00 179.45 179.93 2khk s ARG 7 N -4.31 3.39 -0.15 3.15 0.52 -1.26 -4.83 118.95 115.46 2khk s ARG 7 Ca -0.04 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 54.03 2khk s ARG 7 Cb 0.14 -4.72 -0.08 0.00 0.52 0.00 0.00 34.95 30.80 2khk s ARG 7 CO 0.51 -1.99 0.00 0.37 0.02 0.00 0.00 175.30 174.21 2khk h GLN 8 N 9.55 0.00 -5.79 3.54 4.15 -1.94 -3.42 115.11 121.21 2khk h GLN 8 Ca -0.03 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.71 2khk h GLN 8 Cb 1.04 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.63 2khk h GLN 8 CO 1.26 0.31 2.00 0.15 -1.93 0.00 0.00 178.83 180.62 2khk s LYS 9 N -2.17 3.93 -0.16 1.69 -0.14 -1.26 -4.68 119.74 116.95 2khk s LYS 9 Ca -0.16 -1.91 -0.11 0.00 -1.36 0.00 0.00 55.97 52.42 2khk s LYS 9 Cb 0.02 -5.46 -0.23 0.00 -1.68 0.00 0.00 37.83 30.49 2khk s LYS 9 CO 0.31 -2.20 0.25 -1.91 -0.76 0.00 0.00 175.35 171.04 2khk n GLU 10 N 8.21 0.68 0.21 1.68 2.13 -1.26 -3.55 120.64 128.74 2khk n GLU 10 Ca 0.45 0.36 -0.16 0.00 0.66 0.00 0.00 57.16 58.47 2khk n GLU 10 Cb 0.47 -1.70 -0.08 0.00 0.27 0.00 0.00 31.44 30.39 2khk n GLU 10 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2khk h ILE 11 N -0.33 0.14 -0.46 6.31 5.03 -1.98 -0.20 117.51 126.02 2khk h ILE 11 Ca -0.42 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.37 2khk h ILE 11 Cb 1.77 0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 35.65 2khk h ILE 11 CO -0.04 0.00 0.19 0.00 -0.68 0.00 0.00 178.15 177.62 2khk h ALA 12 N -0.44 0.57 0.09 1.87 0.00 -1.96 0.16 119.26 119.56 2khk h ALA 12 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2khk h ALA 12 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2khk h ALA 12 CO -0.13 -0.19 -0.37 -0.44 0.00 0.00 0.00 179.25 178.11 2khk h ASP 13 N 0.37 -1.08 0.24 0.00 5.19 -1.53 -0.60 116.42 119.01 2khk h ASP 13 Ca 0.21 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 2khk h ASP 13 Cb 0.19 0.41 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2khk h ASP 13 CO -0.20 -0.44 -0.25 1.23 -3.12 0.00 0.00 179.24 176.46 2khk h GLY 14 N -0.58 0.02 0.83 2.75 0.00 -0.77 -0.33 103.07 104.98 2khk h GLY 14 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2khk h GLY 14 CO -0.23 0.01 -0.05 -2.00 0.00 0.00 0.00 176.54 174.27 2khk h LEU 15 N 0.01 -0.11 -0.21 3.11 5.85 0.19 0.52 115.31 124.67 2khk h LEU 15 Ca 0.00 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 2khk h LEU 15 Cb 0.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2khk h LEU 15 CO 0.03 0.09 -0.40 0.00 -0.34 0.00 0.00 178.44 177.82 2khk h ALA 16 N 0.58 0.34 -0.70 1.25 0.00 -1.02 0.05 119.26 119.76 2khk h ALA 16 Ca -0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2khk h ALA 16 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2khk h ALA 16 CO 0.02 0.44 0.42 0.66 0.00 0.00 0.00 179.25 180.80 2khk h SER 17 N 0.35 0.83 0.36 0.00 4.64 -1.05 -0.32 113.55 118.37 2khk h SER 17 Ca 0.01 -0.04 -0.31 0.00 -0.47 0.00 0.00 61.79 60.97 2khk h SER 17 Cb 1.00 -0.21 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 2khk h SER 17 CO 0.09 0.64 -1.38 0.00 -0.87 0.00 0.00 176.83 175.31 2khk h ALA 18 N 1.50 -0.07 -0.32 5.18 0.00 -0.86 -3.02 119.26 121.68 2khk h ALA 18 Ca 0.25 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2khk h ALA 18 Cb -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2khk h ALA 18 CO -0.05 0.78 0.16 1.49 0.00 0.00 0.00 179.25 181.63 2khk h GLU 19 N 0.14 0.46 -0.46 0.00 4.57 -0.64 -0.26 114.58 118.39 2khk h GLU 19 Ca -0.21 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 2khk h GLU 19 Cb 2.08 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 30.57 2khk h GLU 19 CO 0.25 0.42 0.22 -0.09 -1.18 0.00 0.00 179.01 178.63 2khk h ARG 20 N 0.38 0.66 0.49 1.92 1.12 -1.18 -0.05 114.38 117.73 2khk h ARG 20 Ca 0.11 -0.10 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 2khk h ARG 20 Cb 0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2khk h ARG 20 CO -0.01 0.56 -0.24 0.00 -3.11 0.00 0.00 179.97 177.17 2khk h ALA 21 N 1.07 -0.66 -0.01 2.80 0.00 -1.38 0.32 119.26 121.40 2khk h ALA 21 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2khk h ALA 21 Cb 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2khk h ALA 21 CO -0.02 -0.83 -0.16 0.45 0.00 0.00 0.00 179.25 178.70 2khk h HIS 22 N -0.75 -0.41 -0.26 0.00 3.86 -1.00 -0.49 115.15 116.09 2khk h HIS 22 Ca -0.07 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2khk h HIS 22 Cb 0.55 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 2khk h HIS 22 CO -0.02 -0.23 -0.03 -0.22 0.86 0.00 0.00 177.93 178.29 2khk h LYS 23 N -0.26 0.04 -0.05 2.45 1.63 -0.99 0.32 116.57 119.72 2khk h LYS 23 Ca 0.06 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 2khk h LYS 23 Cb 0.33 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 2khk h LYS 23 CO -0.16 0.03 -0.17 0.22 -3.45 0.00 0.00 179.45 175.92 2khk h ASP 24 N 0.04 -0.52 -0.52 4.20 1.82 -0.58 0.58 116.42 121.45 2khk h ASP 24 Ca 0.12 0.08 0.04 0.00 -0.39 0.00 0.00 57.03 56.89 2khk h ASP 24 Cb 0.17 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.37 2khk h ASP 24 CO -0.23 -0.23 0.27 -0.07 -1.61 0.00 0.00 179.24 177.37 2khk h LEU 25 N -0.25 0.40 0.31 2.28 4.07 -0.73 0.73 115.31 122.12 2khk h LEU 25 Ca 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2khk h LEU 25 Cb 0.35 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 2khk h LEU 25 CO -0.20 0.27 -0.20 -0.78 -1.08 0.00 0.00 178.44 176.45 2khk h ASP 26 N 0.53 -0.51 -0.05 -0.43 1.82 -0.44 0.12 116.42 117.46 2khk h ASP 26 Ca 0.23 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.92 2khk h ASP 26 Cb 0.12 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 2khk h ASP 26 CO -0.15 -0.32 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.01 2khk h LEU 27 N -0.50 -0.23 0.61 2.28 4.07 -0.64 0.19 115.31 121.09 2khk h LEU 27 Ca -0.03 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2khk h LEU 27 Cb 0.42 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2khk h LEU 27 CO 0.03 -0.11 -0.47 0.00 -1.08 0.00 0.00 178.44 176.81 2khk h ALA 28 N 0.93 -1.19 -0.07 1.53 0.00 -0.74 0.16 119.26 119.88 2khk h ALA 28 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2khk h ALA 28 Cb 0.17 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2khk h ALA 28 CO -0.12 -1.19 -0.30 0.87 0.00 0.00 0.00 179.25 178.52 2khk h LYS 29 N -1.04 -0.39 -0.32 0.00 1.57 -0.70 -0.19 116.57 115.50 2khk h LYS 29 Ca -0.08 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2khk h LYS 29 Cb 0.87 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.20 2khk h LYS 29 CO 0.02 -0.26 -0.16 0.00 -0.57 0.00 0.00 179.45 178.47 2khk h ALA 30 N 0.40 0.08 -0.44 3.86 0.00 -0.54 -0.95 119.26 121.67 2khk h ALA 30 Ca 0.08 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2khk h ALA 30 Cb 0.53 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2khk h ALA 30 CO -0.30 -0.55 0.12 1.03 0.00 0.00 0.00 179.25 179.56 2khk h SER 31 N -0.12 0.09 0.54 0.00 0.87 -0.15 0.31 113.55 115.09 2khk h SER 31 Ca 0.16 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2khk h SER 31 Cb 0.37 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2khk h SER 31 CO -0.39 0.08 -0.47 0.00 -0.53 0.00 0.00 176.83 175.52 2khk h ALA 32 N 1.31 -1.09 -0.16 6.23 0.00 -0.21 0.35 119.26 125.70 2khk h ALA 32 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2khk h ALA 32 Cb 0.24 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2khk h ALA 32 CO -0.25 -1.15 -0.19 1.79 0.00 0.00 0.00 179.25 179.46 2khk h THR 33 N -1.00 0.51 -0.39 0.00 1.35 -0.98 -0.70 112.91 111.70 2khk h THR 33 Ca -0.06 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.87 2khk h THR 33 Cb 0.86 0.51 -0.07 0.00 -1.73 0.00 0.00 68.15 67.72 2khk h THR 33 CO -0.02 0.00 -0.09 -0.78 -0.25 0.00 0.00 175.52 174.37 2khk h ASP 34 N -0.22 -0.35 -0.47 5.36 1.82 -0.80 -0.75 116.42 121.00 2khk h ASP 34 Ca 0.11 0.12 0.05 0.00 -0.39 0.00 0.00 57.03 56.91 2khk h ASP 34 Cb 0.38 0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.58 2khk h ASP 34 CO -0.29 -0.12 0.22 -0.61 -1.61 0.00 0.00 179.24 176.83 2khk h GLN 35 N 0.00 0.42 0.26 0.28 4.15 -0.36 -0.12 115.11 119.75 2khk h GLN 35 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2khk h GLN 35 Cb 0.28 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2khk h GLN 35 CO -0.40 0.28 -0.26 -0.07 -1.93 0.00 0.00 178.83 176.45 2khk h LEU 36 N 0.44 -0.71 -0.51 -2.39 3.38 -0.22 0.01 115.31 115.30 2khk h LEU 36 Ca 0.21 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.31 2khk h LEU 36 Cb 0.15 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2khk h LEU 36 CO -0.17 -0.38 0.23 0.11 0.09 0.00 0.00 178.44 178.32 2khk h LYS 37 N -0.56 0.43 -0.25 1.13 1.57 -0.92 -0.83 116.57 117.14 2khk h LYS 37 Ca -0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2khk h LYS 37 Cb 0.52 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2khk h LYS 37 CO -0.06 0.28 0.06 0.87 -0.57 0.00 0.00 179.45 180.03 2khk h LYS 38 N 0.44 0.16 0.06 3.15 1.57 -0.71 0.93 116.57 122.17 2khk h LYS 38 Ca 0.24 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2khk h LYS 38 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2khk h LYS 38 CO -0.20 0.10 -0.08 0.00 -0.57 0.00 0.00 179.45 178.70 2khk h ALA 39 N 1.18 -0.14 0.22 3.86 0.00 -0.49 -0.21 119.26 123.68 2khk h ALA 39 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2khk h ALA 39 Cb 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2khk h ALA 39 CO -0.14 -0.59 -0.21 0.87 0.00 0.00 0.00 179.25 179.18 2khk h LYS 40 N -0.17 -0.44 -0.81 0.00 1.79 -0.91 0.75 116.57 116.78 2khk h LYS 40 Ca 0.01 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.63 2khk h LYS 40 Cb 0.17 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.84 2khk h LYS 40 CO -0.04 -0.29 0.43 0.00 -1.08 0.00 0.00 179.45 178.47 2khk h ALA 41 N 0.26 1.17 -0.36 3.86 0.00 -0.71 -0.76 119.26 122.72 2khk h ALA 41 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2khk h ALA 41 Cb 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2khk h ALA 41 CO -0.04 -0.01 -0.18 1.49 0.00 0.00 0.00 179.25 180.51 2khk h GLU 42 N 0.68 0.66 -0.74 0.00 4.81 -0.62 -2.73 114.58 116.64 2khk h GLU 42 Ca 0.41 -0.24 0.15 0.00 -0.13 0.00 0.00 59.36 59.55 2khk h GLU 42 Cb 0.48 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2khk h GLU 42 CO -0.30 0.80 0.49 0.00 -0.73 0.00 0.00 179.01 179.28 2khk h ALA 43 N 1.21 2.13 0.00 2.92 0.00 0.68 -3.44 119.26 122.75 2khk h ALA 43 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2khk h ALA 43 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2khk h ALA 43 CO 0.04 -0.32 0.00 0.94 0.00 0.00 0.00 179.25 179.91 2khk n GLN 44 N -4.47 0.00 0.00 0.00 7.27 -1.05 -5.04 117.38 114.09 2khk n GLN 44 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.21 2khk n GLN 44 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2khk n GLN 44 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2khk n VAL 45 N -2.15 0.00 -1.89 1.69 3.14 -1.12 -4.96 118.33 113.04 2khk n VAL 45 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 2khk n VAL 45 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2khk n VAL 45 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2khk s ILE 46 N -0.66 2.26 0.37 1.55 2.07 -1.26 -4.59 121.20 120.94 2khk s ILE 46 Ca 0.00 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.51 2khk s ILE 46 Cb 0.00 -3.14 -0.04 0.00 0.13 0.00 0.00 42.46 39.41 2khk s ILE 46 CO 0.00 0.03 0.10 0.27 -1.91 0.00 0.00 174.94 173.43 2khk s ILE 47 N -1.22 0.83 -0.38 2.00 -4.36 -1.26 -3.58 121.20 113.24 2khk s ILE 47 Ca 0.59 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.95 2khk s ILE 47 Cb -0.42 -2.53 0.09 0.00 1.25 0.00 0.00 42.46 40.85 2khk s ILE 47 CO 0.54 0.00 0.16 -0.70 0.24 0.00 0.00 174.94 175.18 2khk s GLU 48 N -3.81 2.23 -0.34 0.37 2.56 -1.26 -4.87 118.70 113.58 2khk s GLU 48 Ca 0.29 -1.59 0.03 0.00 0.00 0.00 0.00 54.97 53.70 2khk s GLU 48 Cb 0.05 -3.51 0.19 0.00 2.00 0.00 0.00 34.13 32.87 2khk s GLU 48 CO 0.14 -0.92 1.20 0.94 -0.56 0.00 0.00 175.26 176.06 2khk n GLN 49 N 4.66 0.35 -3.64 4.30 -0.06 -1.26 -4.93 117.38 116.80 2khk n GLN 49 Ca -0.07 -0.92 -0.01 0.00 -2.00 0.00 0.00 57.00 54.00 2khk n GLN 49 Cb 0.42 -0.12 -0.06 0.00 -4.06 0.00 0.00 30.24 26.42 2khk n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2khk s ALA 50 N 0.07 -2.40 -0.30 1.69 0.00 -1.26 -5.15 121.76 114.40 2khk s ALA 50 Ca 0.12 2.14 -0.17 0.00 0.00 0.00 0.00 51.96 54.05 2khk s ALA 50 Cb 0.19 -1.80 0.18 0.00 0.00 0.00 0.00 23.12 21.68 2khk s ALA 50 CO -0.08 -0.35 1.17 1.21 0.00 0.00 0.00 175.76 177.71 2khk s ASN 51 N 1.28 -0.22 0.00 0.00 2.47 -1.26 -5.17 114.94 112.04 2khk s ASN 51 Ca -0.09 0.17 0.01 0.00 0.42 0.00 0.00 52.86 53.38 2khk s ASN 51 Cb -0.03 1.20 -0.00 0.00 -1.45 0.00 0.00 41.25 40.96 2khk s ASN 51 CO -0.13 -0.04 -0.04 -0.54 -3.72 0.00 0.00 177.10 172.63 2khk s LYS 52 N 2.78 0.31 0.00 0.43 1.02 -1.26 -5.35 119.74 117.67 2khk s LYS 52 Ca -0.05 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.76 2khk s LYS 52 Cb -0.07 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2khk s LYS 52 CO -0.10 0.07 0.00 2.89 -0.92 0.00 0.00 175.35 177.29