#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 3.74 -3.26 3.04 0.00 -1.26 -4.94 120.51 117.83 2khk n ALA 2 Ca 0.00 -3.66 -0.27 0.00 0.00 0.00 0.00 53.44 49.51 2khk n ALA 2 Cb 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.13 4.19 0.01 0.00 0.00 -1.26 -4.89 120.51 118.43 2khk n ALA 3 Ca 0.22 -4.69 -0.13 0.00 0.00 0.00 0.00 53.44 48.84 2khk n ALA 3 Cb 0.71 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 2khk n ALA 3 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2khk h ILE 4 N 3.04 1.26 -2.31 0.00 2.04 -2.08 -3.44 117.51 116.01 2khk h ILE 4 Ca 0.17 -1.01 -0.60 0.00 1.00 0.00 0.00 64.86 64.42 2khk h ILE 4 Cb 0.62 1.92 0.07 0.00 -0.74 0.00 0.00 36.82 38.69 2khk h ILE 4 CO 0.82 0.25 0.64 -0.62 0.00 0.00 0.00 178.15 179.24 2khk n GLU 5 N -4.90 1.89 -3.34 2.37 -0.58 -1.26 -4.93 120.64 109.90 2khk n GLU 5 Ca -0.08 0.68 -0.46 0.00 -0.42 0.00 0.00 57.16 56.88 2khk n GLU 5 Cb 0.24 -2.37 -0.04 0.00 -0.57 0.00 0.00 31.44 28.70 2khk n GLU 5 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2khk s LYS 6 N 0.27 3.21 0.33 3.49 1.02 -1.26 -5.05 119.74 121.75 2khk s LYS 6 Ca 0.75 -2.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.42 2khk s LYS 6 Cb -0.72 -4.33 -0.10 0.00 -0.52 0.00 0.00 37.83 32.16 2khk s LYS 6 CO 0.44 -1.31 1.31 -0.98 -0.92 0.00 0.00 175.35 173.90 2khk s ARG 7 N 0.98 4.35 -0.12 1.68 1.70 -1.26 -4.97 118.95 121.31 2khk s ARG 7 Ca 0.09 2.22 -0.12 0.00 -0.47 0.00 0.00 55.73 57.45 2khk s ARG 7 Cb -0.22 -3.07 -0.04 0.00 -0.57 0.00 0.00 34.95 31.05 2khk s ARG 7 CO -0.02 -0.19 -0.24 0.94 -1.08 0.00 0.00 175.30 174.71 2khk n GLN 8 N 0.79 0.36 -3.89 3.89 -0.06 -1.26 -4.93 117.38 112.29 2khk n GLN 8 Ca 0.00 0.14 -0.35 0.00 -2.00 0.00 0.00 57.00 54.79 2khk n GLN 8 Cb 0.42 -1.13 -0.13 0.00 -4.06 0.00 0.00 30.24 25.34 2khk n GLN 8 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2khk s LYS 9 N -2.33 2.29 0.39 3.69 2.47 -1.26 -4.96 119.74 120.03 2khk s LYS 9 Ca -0.20 -1.41 0.13 0.00 -1.56 0.00 0.00 55.97 52.93 2khk s LYS 9 Cb 0.03 -3.27 0.81 0.00 -1.46 0.00 0.00 37.83 33.94 2khk s LYS 9 CO 0.29 -0.73 1.88 1.49 0.16 0.00 0.00 175.35 178.45 2khk h GLU 10 N 7.99 0.03 0.44 4.03 4.22 -1.99 -2.91 114.58 126.39 2khk h GLU 10 Ca -0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.23 2khk h GLU 10 Cb 1.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2khk h GLU 10 CO 0.57 0.32 -0.43 0.82 -2.18 0.00 0.00 179.01 178.11 2khk h ILE 11 N 0.03 0.00 -0.61 2.32 2.04 -1.99 0.79 117.51 120.10 2khk h ILE 11 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2khk h ILE 11 Cb 0.52 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 2khk h ILE 11 CO 0.04 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.49 2khk h ALA 12 N -1.06 0.80 0.09 1.87 0.00 -1.98 0.18 119.26 119.17 2khk h ALA 12 Ca -0.06 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2khk h ALA 12 Cb 0.75 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2khk h ALA 12 CO -0.04 -0.05 -0.28 -0.44 0.00 0.00 0.00 179.25 178.43 2khk h ASP 13 N 0.56 -0.81 0.34 0.00 5.19 -1.30 -0.76 116.42 119.64 2khk h ASP 13 Ca 0.28 0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.71 2khk h ASP 13 Cb 0.22 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2khk h ASP 13 CO -0.21 -0.36 -0.35 1.23 -3.12 0.00 0.00 179.24 176.43 2khk h GLY 14 N -0.48 0.02 0.83 2.75 0.00 -0.50 -0.56 103.07 105.12 2khk h GLY 14 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2khk h GLY 14 CO -0.18 0.01 -0.07 -2.00 0.00 0.00 0.00 176.54 174.30 2khk h LEU 15 N 0.01 -0.17 -0.32 3.11 6.46 0.05 0.81 115.31 125.27 2khk h LEU 15 Ca -0.00 -0.14 -0.18 0.00 -0.12 0.00 0.00 57.88 57.44 2khk h LEU 15 Cb 0.62 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2khk h LEU 15 CO 0.05 0.04 -0.55 0.00 -0.62 0.00 0.00 178.44 177.36 2khk h ALA 16 N 0.46 0.49 -0.39 1.25 0.00 -1.10 0.17 119.26 120.14 2khk h ALA 16 Ca -0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2khk h ALA 16 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2khk h ALA 16 CO 0.03 0.68 0.04 1.03 0.00 0.00 0.00 179.25 181.03 2khk h SER 17 N 0.65 0.56 0.11 0.00 0.87 -1.07 -0.88 113.55 113.78 2khk h SER 17 Ca 0.01 -0.10 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 2khk h SER 17 Cb 1.15 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2khk h SER 17 CO 0.12 0.60 -1.06 0.00 -0.53 0.00 0.00 176.83 175.96 2khk h ALA 18 N 1.47 0.07 -0.36 6.23 0.00 -0.77 -3.17 119.26 122.73 2khk h ALA 18 Ca 0.12 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.17 2khk h ALA 18 Cb 0.31 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2khk h ALA 18 CO 0.01 0.58 0.13 1.49 0.00 0.00 0.00 179.25 181.45 2khk h GLU 19 N -0.44 0.27 0.09 0.00 4.81 -0.59 -0.23 114.58 118.48 2khk h GLU 19 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2khk h GLU 19 Cb 1.62 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 2khk h GLU 19 CO 0.07 0.18 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.36 2khk h ARG 20 N 0.28 -0.18 -0.01 1.92 2.43 -1.31 -1.06 114.38 116.45 2khk h ARG 20 Ca 0.16 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2khk h ARG 20 Cb 0.14 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2khk h ARG 20 CO -0.17 -0.12 -0.17 0.00 -1.51 0.00 0.00 179.97 178.01 2khk h ALA 21 N 0.72 -0.20 -0.19 2.80 0.00 -1.46 0.77 119.26 121.71 2khk h ALA 21 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2khk h ALA 21 Cb 0.17 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2khk h ALA 21 CO -0.02 -0.66 -0.18 0.45 0.00 0.00 0.00 179.25 178.84 2khk h HIS 22 N -0.28 -0.45 -0.23 0.00 3.86 -0.91 0.60 115.15 117.75 2khk h HIS 22 Ca 0.06 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2khk h HIS 22 Cb 0.35 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 2khk h HIS 22 CO -0.23 -0.25 0.05 -0.22 0.86 0.00 0.00 177.93 178.14 2khk h LYS 23 N -0.19 0.13 -0.36 2.45 3.64 -0.89 0.14 116.57 121.49 2khk h LYS 23 Ca 0.12 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2khk h LYS 23 Cb 0.37 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 2khk h LYS 23 CO -0.30 0.09 0.08 0.22 -2.27 0.00 0.00 179.45 177.26 2khk h ASP 24 N 0.14 0.03 -0.26 4.20 3.58 -0.31 0.17 116.42 123.97 2khk h ASP 24 Ca 0.10 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2khk h ASP 24 Cb 0.10 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2khk h ASP 24 CO -0.13 0.05 0.10 0.25 -2.88 0.00 0.00 179.24 176.63 2khk h LEU 25 N 0.20 0.37 0.31 2.28 6.46 -0.52 -0.99 115.31 123.42 2khk h LEU 25 Ca 0.17 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2khk h LEU 25 Cb 0.19 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2khk h LEU 25 CO -0.22 0.44 -0.21 -0.78 -0.62 0.00 0.00 178.44 177.06 2khk h ASP 26 N 0.27 -0.52 -0.25 1.25 3.58 -0.30 -0.95 116.42 119.49 2khk h ASP 26 Ca 0.09 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.62 2khk h ASP 26 Cb 0.19 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2khk h ASP 26 CO -0.01 -0.33 -0.03 0.25 -2.88 0.00 0.00 179.24 176.24 2khk h LEU 27 N -0.51 -0.17 -0.26 2.28 5.85 -0.63 -0.30 115.31 121.57 2khk h LEU 27 Ca -0.03 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2khk h LEU 27 Cb 0.43 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2khk h LEU 27 CO 0.02 -0.05 -0.10 0.00 -0.34 0.00 0.00 178.44 177.97 2khk h ALA 28 N 1.23 0.12 0.37 1.25 0.00 -1.02 0.11 119.26 121.34 2khk h ALA 28 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2khk h ALA 28 Cb 0.17 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2khk h ALA 28 CO -0.23 -0.50 -0.26 -0.22 0.00 0.00 0.00 179.25 178.04 2khk h LYS 29 N -0.05 -0.59 -0.97 0.00 3.64 -0.74 -0.80 116.57 117.06 2khk h LYS 29 Ca 0.13 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 2khk h LYS 29 Cb 0.25 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 2khk h LYS 29 CO -0.30 -0.39 0.59 0.00 -2.27 0.00 0.00 179.45 177.08 2khk h ALA 30 N -0.04 1.47 -0.21 5.00 0.00 -0.78 -0.24 119.26 124.47 2khk h ALA 30 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2khk h ALA 30 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2khk h ALA 30 CO 0.02 0.14 0.08 0.77 0.00 0.00 0.00 179.25 180.26 2khk h SER 31 N 0.90 0.29 0.45 0.00 0.02 -0.37 -0.61 113.55 114.23 2khk h SER 31 Ca 0.50 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2khk h SER 31 Cb 0.55 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2khk h SER 31 CO -0.29 0.38 -0.22 0.00 -1.14 0.00 0.00 176.83 175.57 2khk h ALA 32 N 0.92 -0.60 0.33 3.77 0.00 -0.27 -0.12 119.26 123.28 2khk h ALA 32 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2khk h ALA 32 Cb 0.18 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2khk h ALA 32 CO -0.01 -0.81 -0.42 1.15 0.00 0.00 0.00 179.25 179.17 2khk h THR 33 N -0.66 0.17 -0.79 0.00 2.02 -1.07 -0.22 112.91 112.36 2khk h THR 33 Ca -0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.25 2khk h THR 33 Cb 0.49 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 66.98 2khk h THR 33 CO 0.10 0.00 0.38 -0.78 0.37 0.00 0.00 175.52 175.59 2khk h ASP 34 N -0.79 0.45 0.89 4.18 1.82 -1.12 0.75 116.42 122.60 2khk h ASP 34 Ca -0.02 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 2khk h ASP 34 Cb 0.73 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.76 2khk h ASP 34 CO -0.12 0.21 -0.48 -0.61 -1.61 0.00 0.00 179.24 176.63 2khk h GLN 35 N 0.58 -1.22 -0.68 0.28 4.15 -0.49 -0.28 115.11 117.45 2khk h GLN 35 Ca 0.42 0.08 0.10 0.00 0.77 0.00 0.00 58.65 60.02 2khk h GLN 35 Cb 0.56 0.28 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 2khk h GLN 35 CO -0.34 -0.81 0.30 1.25 -1.93 0.00 0.00 178.83 177.30 2khk h LEU 36 N -1.26 0.36 0.48 -2.39 5.85 -0.66 0.59 115.31 118.28 2khk h LEU 36 Ca -0.12 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2khk h LEU 36 Cb 0.99 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2khk h LEU 36 CO 0.16 0.20 -0.39 0.50 -0.34 0.00 0.00 178.44 178.57 2khk h LYS 37 N 0.51 -0.83 -0.77 1.25 1.63 -0.70 -1.09 116.57 116.58 2khk h LYS 37 Ca 0.34 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.27 2khk h LYS 37 Cb 0.40 0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.16 2khk h LYS 37 CO -0.30 -0.55 0.45 -0.22 -3.45 0.00 0.00 179.45 175.38 2khk h LYS 38 N -0.86 0.77 0.03 1.90 3.64 -0.65 -0.13 116.57 121.27 2khk h LYS 38 Ca -0.05 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2khk h LYS 38 Cb 0.74 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2khk h LYS 38 CO -0.01 0.51 -0.22 0.00 -2.27 0.00 0.00 179.45 177.46 2khk h ALA 39 N 1.40 -0.31 0.05 5.00 0.00 -0.55 0.12 119.26 124.97 2khk h ALA 39 Ca 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2khk h ALA 39 Cb 0.25 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2khk h ALA 39 CO -0.21 -0.73 -0.02 -0.22 0.00 0.00 0.00 179.25 178.08 2khk h LYS 40 N -0.36 -0.06 -0.93 0.00 3.11 -0.78 0.15 116.57 117.70 2khk h LYS 40 Ca 0.05 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 58.04 2khk h LYS 40 Cb 0.43 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.60 2khk h LYS 40 CO -0.18 0.04 0.59 0.00 -2.81 0.00 0.00 179.45 177.09 2khk h ALA 41 N 0.80 1.75 -0.02 5.00 0.00 -0.81 0.52 119.26 126.49 2khk h ALA 41 Ca -0.01 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2khk h ALA 41 Cb 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2khk h ALA 41 CO 0.01 -0.01 -0.70 1.49 0.00 0.00 0.00 179.25 180.04 2khk h GLU 42 N 0.77 0.51 0.00 0.00 4.22 -0.43 -3.20 114.58 116.44 2khk h GLU 42 Ca 0.47 -0.52 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 2khk h GLU 42 Cb 0.69 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2khk h GLU 42 CO -0.23 1.16 -0.08 0.00 -2.18 0.00 0.00 179.01 177.67 2khk h ALA 43 N 0.37 1.63 -0.19 2.92 0.00 0.21 -1.82 119.26 122.37 2khk h ALA 43 Ca -0.08 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2khk h ALA 43 Cb 1.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2khk h ALA 43 CO 0.14 0.10 0.18 0.37 0.00 0.00 0.00 179.25 180.04 2khk h GLN 44 N 0.00 0.00 -5.39 0.00 4.15 -0.92 -3.42 115.11 109.52 2khk h GLN 44 Ca -0.00 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.93 2khk h GLN 44 Cb 0.17 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.72 2khk h GLN 44 CO 0.01 0.00 -0.64 0.14 -1.93 0.00 0.00 178.83 176.41 2khk s VAL 45 N -4.78 1.47 0.39 2.39 -7.23 -0.69 -5.13 120.40 106.83 2khk s VAL 45 Ca -0.05 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2khk s VAL 45 Cb 0.16 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2khk s VAL 45 CO 0.60 -0.16 0.11 0.27 -0.31 0.00 0.00 175.10 175.62 2khk s ILE 46 N -3.11 0.70 0.00 -0.62 -4.36 -1.26 -4.91 121.20 107.64 2khk s ILE 46 Ca 0.33 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2khk s ILE 46 Cb 0.06 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.34 2khk s ILE 46 CO 0.14 0.00 0.00 -0.38 0.24 0.00 0.00 174.94 174.94 2khk n ILE 47 N -0.86 0.00 -3.15 8.37 5.41 -1.26 -5.10 119.36 122.77 2khk n ILE 47 Ca -0.05 0.02 0.05 0.00 1.00 0.00 0.00 62.75 63.77 2khk n ILE 47 Cb 0.65 -0.91 -0.01 0.00 -0.71 0.00 0.00 39.64 38.66 2khk n ILE 47 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2khk s GLU 48 N -0.76 0.20 -0.16 0.38 2.02 -1.26 -5.15 118.70 113.97 2khk s GLU 48 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.27 2khk s GLU 48 Cb 0.00 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.41 2khk s GLU 48 CO 0.00 -0.28 -0.09 -1.14 0.02 0.00 0.00 175.26 173.77 2khk s GLN 49 N 2.95 1.79 0.32 1.61 0.74 -1.26 -5.11 119.66 120.69 2khk s GLN 49 Ca 0.12 -0.54 -0.14 0.00 0.05 0.00 0.00 55.36 54.85 2khk s GLN 49 Cb -0.07 -2.02 0.02 0.00 1.10 0.00 0.00 33.01 32.04 2khk s GLN 49 CO -0.17 -0.35 0.64 0.00 -0.55 0.00 0.00 175.29 174.87 2khk s ALA 50 N 1.56 -0.48 -0.14 1.58 0.00 -1.26 -5.16 121.76 117.87 2khk s ALA 50 Ca 0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 2khk s ALA 50 Cb -0.14 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2khk s ALA 50 CO -0.09 -0.93 0.12 1.21 0.00 0.00 0.00 175.76 176.07 2khk s ASN 51 N -3.05 6.17 0.22 0.00 3.84 -1.26 -5.10 114.94 115.76 2khk s ASN 51 Ca 0.19 0.35 0.06 0.00 0.21 0.00 0.00 52.86 53.66 2khk s ASN 51 Cb -0.03 -2.01 -0.04 0.00 -0.55 0.00 0.00 41.25 38.62 2khk s ASN 51 CO 0.11 0.33 0.20 -1.59 -2.79 0.00 0.00 177.10 173.37 2khk s LYS 52 N -0.55 3.00 0.00 0.43 -2.85 -1.26 -5.35 119.74 113.15 2khk s LYS 52 Ca 0.12 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2khk s LYS 52 Cb -0.12 -2.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 2khk s LYS 52 CO 0.02 0.43 0.00 0.54 0.10 0.00 0.00 175.35 176.44