#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5o n LYS 2 N 0.00 0.00 -0.05 -3.48 4.76 -1.26 -4.83 118.16 113.29 1h5o n LYS 2 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1h5o n LYS 2 Cb 0.00 -0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1h5o h GLN 3 N 0.00 0.03 -0.18 1.97 4.15 -1.95 -3.32 115.11 115.81 1h5o h GLN 3 Ca 0.00 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1h5o h GLN 3 Cb 0.00 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1h5o h GLN 3 CO 0.00 0.93 -0.32 0.00 -1.93 0.00 0.00 178.83 177.51 1h5o h HIS 5 N 0.32 0.06 -0.34 0.00 -0.00 -1.79 -0.18 115.15 113.22 1h5o h HIS 5 Ca 0.04 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1h5o h HIS 5 Cb 0.73 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 1h5o h HIS 5 CO 0.02 0.39 -0.01 0.87 -0.00 0.00 0.00 177.93 179.20 1h5o h LYS 6 N 0.05 0.61 0.00 5.26 1.57 -1.60 -3.34 116.57 119.12 1h5o h LYS 6 Ca 0.00 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1h5o h LYS 6 Cb 0.63 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1h5o h LYS 6 CO 0.05 0.74 -0.00 0.87 -0.57 0.00 0.00 179.45 180.53 1h5o h LYS 7 N 0.42 -0.00 0.00 3.15 1.57 -1.50 -3.49 116.57 116.70 1h5o h LYS 7 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1h5o h LYS 7 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1h5o h LYS 7 CO 0.02 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1h5o n GLY 8 N 1.42 1.53 0.00 3.86 0.00 -0.09 -5.14 105.19 106.77 1h5o n GLY 8 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1h5o n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5o n GLY 9 N 0.00 0.14 3.10 -0.02 0.00 -1.17 -4.76 105.19 102.48 1h5o n GLY 9 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 1h5o n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1h5o s HIS 10 N -2.00 1.11 -0.01 1.61 2.46 -1.10 -4.51 115.29 112.84 1h5o s HIS 10 Ca 0.00 -0.29 -0.30 0.00 0.47 0.00 0.00 55.06 54.94 1h5o s HIS 10 Cb 0.00 -0.68 -0.03 0.00 -0.13 0.00 0.00 32.58 31.74 1h5o s HIS 10 CO 0.00 0.00 1.06 0.00 -2.47 0.00 0.00 174.74 173.34 1h5o s PHE 12 N 1.36 1.03 0.61 0.00 0.08 -0.17 -4.94 117.98 115.94 1h5o s PHE 12 Ca 0.53 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 57.00 1h5o s PHE 12 Cb -0.23 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1h5o s PHE 12 CO 0.26 0.01 1.11 -2.30 -0.10 0.00 0.00 175.22 174.19 1h5o n PRO 13 N 1.73 1.06 0.26 0.24 -0.02 -1.26 -1.57 135.00 135.43 1h5o n PRO 13 Ca -0.20 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1h5o n PRO 13 Cb 0.55 -2.32 0.64 0.00 -0.02 0.00 0.00 33.50 32.35 1h5o n PRO 13 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1h5o h LYS 14 N 0.63 0.00 0.00 -0.52 3.64 -0.99 -1.68 116.57 117.65 1h5o h LYS 14 Ca -0.49 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1h5o h LYS 14 Cb 1.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1h5o h LYS 14 CO 0.52 0.04 -0.11 1.05 -2.27 0.00 0.00 179.45 178.69 1h5o h GLU 15 N 0.00 0.00 -7.08 1.90 4.11 -1.90 -3.45 114.58 108.17 1h5o h GLU 15 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.98 1h5o h GLU 15 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1h5o h GLU 15 CO 0.01 0.11 0.35 0.15 0.07 0.00 0.00 179.01 179.70 1h5o s LYS 16 N -4.26 4.12 -0.37 1.06 -0.14 -0.63 -4.96 119.74 114.55 1h5o s LYS 16 Ca -0.03 1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 55.44 1h5o s LYS 16 Cb 0.13 -2.16 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1h5o s LYS 16 CO 0.59 -0.13 1.19 0.42 -0.76 0.00 0.00 175.35 176.65 1h5o s ILE 17 N -2.19 4.26 -0.16 2.17 1.01 -1.26 -4.95 121.20 120.07 1h5o s ILE 17 Ca 0.63 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 62.41 1h5o s ILE 17 Cb -0.10 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 1h5o s ILE 17 CO 0.16 -0.67 0.78 0.00 0.00 0.00 0.00 174.94 175.21 1h5o s LEU 19 N 1.92 1.89 0.78 0.00 1.98 -1.26 -2.19 118.68 121.80 1h5o s LEU 19 Ca 0.37 -0.69 -0.11 0.00 -2.89 0.00 0.00 54.13 50.80 1h5o s LEU 19 Cb -0.17 -1.12 0.06 0.00 0.66 0.00 0.00 46.19 45.63 1h5o s LEU 19 CO 0.13 -0.13 1.09 -2.16 -1.89 0.00 0.00 176.35 173.39 1h5o s PRO 20 N 1.50 2.19 0.43 0.98 0.04 -1.26 -4.24 135.00 134.64 1h5o s PRO 20 Ca 0.01 0.73 0.14 0.00 0.04 0.00 0.00 61.00 61.93 1h5o s PRO 20 Cb -0.15 -1.92 0.95 0.00 0.04 0.00 0.00 34.50 33.42 1h5o s PRO 20 CO -0.09 -1.57 1.95 -1.00 0.04 0.00 0.00 177.00 176.34 1h5o h PRO 21 N -1.05 0.00 -2.02 0.56 0.13 -1.86 -3.10 132.00 124.66 1h5o h PRO 21 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1h5o h PRO 21 Cb 1.26 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 1h5o h PRO 21 CO 0.58 0.23 0.87 -1.13 -0.23 0.00 0.00 178.00 178.32 1h5o n SER 22 N -4.24 7.21 -3.00 1.44 3.41 -1.26 -4.65 113.62 112.52 1h5o n SER 22 Ca -0.02 -3.63 -0.13 0.00 -0.26 0.00 0.00 58.87 54.83 1h5o n SER 22 Cb 0.28 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 1h5o n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1h5o n SER 23 N -0.05 -2.21 -3.54 4.04 3.41 -1.17 -5.13 113.62 108.98 1h5o n SER 23 Ca 0.52 -2.76 -0.12 0.00 -0.26 0.00 0.00 58.87 56.25 1h5o n SER 23 Cb 0.33 0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 65.09 1h5o n SER 23 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1h5o s ASP 24 N 0.25 -0.42 0.66 4.04 1.47 -1.26 -1.61 116.67 119.79 1h5o s ASP 24 Ca 0.31 -0.03 -0.01 0.00 1.18 0.00 0.00 52.55 54.01 1h5o s ASP 24 Cb 0.04 0.52 0.09 0.00 -0.34 0.00 0.00 42.92 43.23 1h5o s ASP 24 CO -0.12 -0.85 0.92 -0.36 0.68 0.00 0.00 175.17 175.44 1h5o s PHE 25 N -3.30 2.20 0.00 2.11 0.08 0.14 -4.93 117.98 114.28 1h5o s PHE 25 Ca -0.01 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1h5o s PHE 25 Cb 0.00 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1h5o s PHE 25 CO -0.09 -1.38 0.00 0.41 -0.10 0.00 0.00 175.22 174.06 1h5o n GLY 26 N -2.67 1.16 3.55 4.36 0.00 -1.26 -2.93 105.19 107.40 1h5o n GLY 26 Ca 0.12 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1h5o n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5o s LYS 27 N 1.89 3.24 0.00 1.61 -2.85 -1.26 -3.17 119.74 119.19 1h5o s LYS 27 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1h5o s LYS 27 Cb 0.00 -4.42 0.00 0.00 -2.06 0.00 0.00 37.83 31.35 1h5o s LYS 27 CO 0.00 -2.20 0.00 -1.33 0.10 0.00 0.00 175.35 171.92 1h5o n MET 28 N 9.27 0.00 -1.63 1.78 2.81 -1.26 -4.82 117.12 123.27 1h5o n MET 28 Ca 0.10 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.66 1h5o n MET 28 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 1h5o n MET 28 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1h5o n ASP 29 N 0.00 7.05 0.00 7.83 5.75 -1.26 -4.68 116.55 131.24 1h5o n ASP 29 Ca 0.00 -3.53 0.00 0.00 -0.01 0.00 0.00 54.79 51.25 1h5o n ASP 29 Cb 0.00 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5o n ARG 31 N 0.00 0.65 0.31 0.00 1.85 -1.26 -5.06 116.66 113.14 1h5o n ARG 31 Ca 0.00 -1.46 -0.17 0.00 -1.00 0.00 0.00 57.85 55.22 1h5o n ARG 31 Cb 0.00 1.71 -0.09 0.00 -1.05 0.00 0.00 32.46 33.04 1h5o n ARG 31 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1h5o h TRP 32 N 1.62 -0.68 -0.38 2.89 -0.00 -1.97 -3.10 115.95 114.33 1h5o h TRP 32 Ca -0.20 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.58 1h5o h TRP 32 Cb 0.76 0.22 -0.05 0.00 -0.00 0.00 0.00 29.16 30.09 1h5o h TRP 32 CO 0.00 -0.41 0.12 0.54 -0.00 0.00 0.00 178.44 178.68 1h5o n ARG 33 N -5.40 2.61 -5.05 2.65 1.74 -1.26 -4.82 116.66 107.12 1h5o n ARG 33 Ca -0.12 -1.65 -0.30 0.00 -0.77 0.00 0.00 57.85 55.00 1h5o n ARG 33 Cb 0.31 -1.81 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 1h5o n ARG 33 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1h5o s TRP 34 N -1.87 2.33 0.24 -1.55 0.52 -1.17 -0.32 118.94 117.11 1h5o s TRP 34 Ca 0.29 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 56.09 1h5o s TRP 34 Cb 0.23 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1h5o s TRP 34 CO 0.08 0.07 -0.05 -1.59 0.02 0.00 0.00 176.95 175.47 1h5o s LYS 35 N -1.01 2.18 -0.44 4.98 -2.85 -0.61 -4.09 119.74 117.90 1h5o s LYS 35 Ca 0.11 -1.38 -0.15 0.00 -1.00 0.00 0.00 55.97 53.55 1h5o s LYS 35 Cb -0.10 -2.14 0.05 0.00 -2.06 0.00 0.00 37.83 33.58 1h5o s LYS 35 CO 0.01 0.39 0.35 0.00 0.10 0.00 0.00 175.35 176.20 1h5o s LYS 38 N -1.72 0.95 0.65 0.00 2.20 -0.63 -2.70 119.74 118.48 1h5o s LYS 38 Ca 0.45 -1.48 -0.09 0.00 -0.36 0.00 0.00 55.97 54.49 1h5o s LYS 38 Cb -0.21 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1h5o s LYS 38 CO 0.25 -1.07 1.01 0.15 -0.36 0.00 0.00 175.35 175.34 1h5o s LYS 39 N 1.07 2.99 -0.06 4.03 1.02 -1.26 -4.60 119.74 122.92 1h5o s LYS 39 Ca 0.13 0.32 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 1h5o s LYS 39 Cb -0.21 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1h5o s LYS 39 CO -0.13 -0.84 -0.18 0.41 -0.92 0.00 0.00 175.35 173.70 1h5o n GLY 40 N -2.80 -0.35 2.89 -3.33 0.00 -1.26 -5.00 105.19 95.34 1h5o n GLY 40 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1h5o n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h5o s SER 41 N -5.60 0.47 0.00 1.61 0.01 -1.26 -5.12 113.70 103.81 1h5o s SER 41 Ca -0.15 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1h5o s SER 41 Cb 0.02 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.26 1h5o s SER 41 CO 0.22 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.17