#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5o h LYS 2 N 0.00 0.00 0.00 2.98 1.63 -2.00 -3.32 116.57 115.86 1h5o h LYS 2 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1h5o h LYS 2 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1h5o h LYS 2 CO 0.00 0.12 -0.01 0.37 -3.45 0.00 0.00 179.45 176.48 1h5o h GLN 3 N -1.00 0.01 0.00 1.90 4.15 -1.93 -3.36 115.11 114.88 1h5o h GLN 3 Ca -0.02 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 1h5o h GLN 3 Cb 0.32 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1h5o h GLN 3 CO -0.01 0.87 -0.75 0.00 -1.93 0.00 0.00 178.83 177.00 1h5o h HIS 5 N 0.00 0.43 0.06 0.00 -0.00 -1.73 0.24 115.15 114.15 1h5o h HIS 5 Ca -0.01 -0.15 -0.28 0.00 -0.00 0.00 0.00 60.37 59.94 1h5o h HIS 5 Cb 1.45 -0.08 0.02 0.00 -0.00 0.00 0.00 27.41 28.79 1h5o h HIS 5 CO 0.00 0.80 -1.14 -0.22 -0.00 0.00 0.00 177.93 177.37 1h5o h LYS 6 N 0.27 0.63 -0.15 5.26 1.63 -1.70 -3.32 116.57 119.19 1h5o h LYS 6 Ca 0.01 -0.76 -0.16 0.00 -0.85 0.00 0.00 60.65 58.89 1h5o h LYS 6 Cb 1.01 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1h5o h LYS 6 CO 0.09 1.33 -0.59 0.87 -3.45 0.00 0.00 179.45 177.69 1h5o h LYS 7 N 0.32 0.49 0.00 1.90 1.57 -1.50 -3.49 116.57 115.86 1h5o h LYS 7 Ca -0.15 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1h5o h LYS 7 Cb 1.80 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.15 1h5o h LYS 7 CO 0.22 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 180.45 1h5o n GLY 8 N 0.32 0.90 3.61 3.86 0.00 0.81 -5.11 105.19 109.57 1h5o n GLY 8 Ca -0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1h5o n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h5o s GLY 9 N 0.00 -0.16 -0.04 -0.02 0.00 -1.08 -4.67 107.32 101.34 1h5o s GLY 9 Ca 0.00 2.40 -0.03 0.00 0.00 0.00 0.00 44.72 47.09 1h5o s GLY 9 CO 0.00 1.35 0.13 -1.58 0.00 0.00 0.00 173.10 173.00 1h5o s HIS 10 N -0.61 3.47 -0.03 1.90 2.46 -0.69 -4.66 115.29 117.12 1h5o s HIS 10 Ca 0.01 0.36 -0.24 0.00 0.47 0.00 0.00 55.06 55.66 1h5o s HIS 10 Cb -0.02 -1.84 -0.04 0.00 -0.13 0.00 0.00 32.58 30.55 1h5o s HIS 10 CO -0.03 0.64 0.74 0.00 -2.47 0.00 0.00 174.74 173.62 1h5o s PHE 12 N 0.57 1.07 1.01 0.00 0.40 -0.30 -4.95 117.98 115.78 1h5o s PHE 12 Ca 0.39 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1h5o s PHE 12 Cb -0.19 -0.59 0.20 0.00 0.51 0.00 0.00 43.02 42.95 1h5o s PHE 12 CO 0.20 0.01 1.10 -2.14 0.70 0.00 0.00 175.22 175.09 1h5o s PRO 13 N -2.53 0.29 0.00 0.24 0.02 -1.26 -0.82 135.00 130.94 1h5o s PRO 13 Ca 0.03 1.28 0.13 0.00 0.02 0.00 0.00 61.00 62.47 1h5o s PRO 13 Cb -0.05 -1.66 0.69 0.00 0.02 0.00 0.00 34.50 33.51 1h5o s PRO 13 CO 0.01 -3.04 1.32 0.36 -0.33 0.00 0.00 177.00 175.32 1h5o n LYS 14 N -4.49 0.23 0.20 5.54 2.85 -1.25 -3.15 118.16 118.09 1h5o n LYS 14 Ca 0.08 0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.57 1h5o n LYS 14 Cb 0.53 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.54 1h5o n LYS 14 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1h5o h GLU 15 N 0.00 0.00 -6.71 -1.58 4.11 -1.93 -3.47 114.58 105.00 1h5o h GLU 15 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1h5o h GLU 15 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1h5o h GLU 15 CO 0.00 0.11 0.06 0.15 0.07 0.00 0.00 179.01 179.40 1h5o s LYS 16 N -3.16 3.86 0.09 1.06 -0.14 -1.19 -5.04 119.74 115.22 1h5o s LYS 16 Ca 0.06 0.48 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 1h5o s LYS 16 Cb 0.06 -2.46 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 1h5o s LYS 16 CO 0.69 0.11 0.83 0.42 -0.76 0.00 0.00 175.35 176.63 1h5o s ILE 17 N -2.12 4.57 -0.28 2.17 1.01 -1.26 -5.03 121.20 120.25 1h5o s ILE 17 Ca 0.51 1.78 -0.15 0.00 0.00 0.00 0.00 60.65 62.79 1h5o s ILE 17 Cb -0.10 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1h5o s ILE 17 CO 0.24 0.39 0.37 0.00 0.00 0.00 0.00 174.94 175.94 1h5o s LEU 19 N 2.06 2.03 0.90 0.00 2.96 -1.26 -3.75 118.68 121.62 1h5o s LEU 19 Ca 0.14 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1h5o s LEU 19 Cb -0.16 -1.29 0.13 0.00 0.50 0.00 0.00 46.19 45.37 1h5o s LEU 19 CO 0.10 0.21 1.12 -2.16 -1.32 0.00 0.00 176.35 174.30 1h5o s PRO 20 N -0.03 1.27 0.10 0.98 0.04 -1.26 -4.35 135.00 131.75 1h5o s PRO 20 Ca -0.06 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.18 1h5o s PRO 20 Cb -0.14 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1h5o s PRO 20 CO 0.04 -2.14 1.71 -1.35 0.04 0.00 0.00 177.00 175.30 1h5o h PRO 21 N -1.46 -0.13 -2.54 0.56 0.11 -1.99 -3.13 132.00 123.42 1h5o h PRO 21 Ca -0.50 0.01 -0.72 0.00 0.11 0.00 0.00 66.00 64.90 1h5o h PRO 21 Cb 1.31 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.32 1h5o h PRO 21 CO 0.60 -0.09 2.17 0.43 -0.21 0.00 0.00 178.00 180.90 1h5o n SER 22 N -5.19 7.87 -2.87 -2.05 7.64 -1.26 -4.61 113.62 113.15 1h5o n SER 22 Ca -0.06 -3.16 -0.02 0.00 1.01 0.00 0.00 58.87 56.63 1h5o n SER 22 Cb 0.11 -1.34 0.01 0.00 -1.01 0.00 0.00 64.21 61.98 1h5o n SER 22 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1h5o s SER 23 N 0.33 -1.30 0.16 6.43 0.01 -1.18 -5.15 113.70 113.00 1h5o s SER 23 Ca 0.54 -1.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 1h5o s SER 23 Cb 0.21 1.68 0.05 0.00 0.21 0.00 0.00 66.02 68.17 1h5o s SER 23 CO -0.11 -0.08 0.53 -0.62 0.41 0.00 0.00 173.24 173.37 1h5o s ASP 24 N 1.20 -0.41 0.16 2.44 2.15 -1.26 -3.01 116.67 117.94 1h5o s ASP 24 Ca 0.25 -0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.06 1h5o s ASP 24 Cb 0.00 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1h5o s ASP 24 CO -0.07 -0.95 -0.00 -0.36 -0.17 0.00 0.00 175.17 173.62 1h5o s PHE 25 N -3.79 1.13 0.00 -5.34 0.08 -0.81 -4.94 117.98 104.31 1h5o s PHE 25 Ca 0.03 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.05 1h5o s PHE 25 Cb -0.00 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1h5o s PHE 25 CO -0.11 -0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.18 1h5o n GLY 26 N -0.20 1.10 3.55 4.36 0.00 -1.26 -3.02 105.19 109.71 1h5o n GLY 26 Ca -0.07 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 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 0.95 3.11 0.00 1.61 -2.85 -1.24 -2.48 119.74 118.83 1h5o s LYS 27 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1h5o s LYS 27 Cb 0.00 -4.40 0.00 0.00 -2.06 0.00 0.00 37.83 31.37 1h5o s LYS 27 CO 0.00 -2.31 0.00 -1.33 0.10 0.00 0.00 175.35 171.81 1h5o n MET 28 N 9.26 0.00 -3.17 1.78 2.81 -1.26 -4.89 117.12 121.66 1h5o n MET 28 Ca 0.11 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.66 1h5o n MET 28 Cb 0.50 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.97 1h5o n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1h5o n ASP 29 N 0.00 5.14 0.00 7.83 2.03 -1.26 -4.81 116.55 125.49 1h5o n ASP 29 Ca 0.00 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1h5o n ASP 29 Cb 0.00 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5o s ARG 31 N 0.00 0.52 0.42 0.00 3.52 -1.26 -5.04 118.95 117.11 1h5o s ARG 31 Ca 0.00 -0.88 0.13 0.00 -0.13 0.00 0.00 55.73 54.86 1h5o s ARG 31 Cb 0.00 0.19 1.00 0.00 -1.56 0.00 0.00 34.95 34.59 1h5o s ARG 31 CO 0.00 -0.11 1.96 2.35 -0.81 0.00 0.00 175.30 178.69 1h5o h TRP 32 N 3.74 0.49 -0.35 5.12 2.91 -1.96 -2.34 115.95 123.56 1h5o h TRP 32 Ca -0.33 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.70 1h5o h TRP 32 Cb 1.18 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1h5o h TRP 32 CO 0.57 0.22 0.00 0.54 -1.03 0.00 0.00 178.44 178.74 1h5o n ARG 33 N -4.48 3.05 -4.27 2.65 1.74 -1.26 -4.88 116.66 109.21 1h5o n ARG 33 Ca 0.11 -2.54 -0.23 0.00 -0.77 0.00 0.00 57.85 54.42 1h5o n ARG 33 Cb 0.40 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.98 2.66 0.43 -1.55 0.52 -0.88 -3.82 118.94 114.32 1h5o s TRP 34 Ca 0.36 -0.28 0.07 0.00 0.02 0.00 0.00 56.10 56.26 1h5o s TRP 34 Cb 0.25 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1h5o s TRP 34 CO 0.14 0.55 0.20 0.15 0.02 0.00 0.00 176.95 178.01 1h5o s LYS 35 N -3.71 2.24 -0.39 4.98 1.02 -0.00 -3.70 119.74 120.18 1h5o s LYS 35 Ca 0.33 -1.86 0.04 0.00 0.02 0.00 0.00 55.97 54.50 1h5o s LYS 35 Cb -0.05 -2.00 0.11 0.00 -0.52 0.00 0.00 37.83 35.37 1h5o s LYS 35 CO 0.20 -0.17 0.11 0.00 -0.92 0.00 0.00 175.35 174.58 1h5o s LYS 38 N -3.07 3.55 0.00 0.00 2.20 -1.16 -1.71 119.74 119.54 1h5o s LYS 38 Ca 0.53 -2.21 0.00 0.00 -0.36 0.00 0.00 55.97 53.94 1h5o s LYS 38 Cb -0.10 -4.53 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 1h5o s LYS 38 CO 0.19 -1.42 0.00 0.36 -0.36 0.00 0.00 175.35 174.12 1h5o n LYS 39 N 4.75 0.00 0.00 4.03 2.85 -1.26 -4.27 118.16 124.27 1h5o n LYS 39 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1h5o n LYS 39 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1h5o n GLY 40 N 0.00 0.18 2.61 2.58 0.00 -1.26 -4.80 105.19 104.51 1h5o n GLY 40 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.00 3.66 0.00 1.61 0.01 -1.26 -5.02 113.70 113.71 1h5o s SER 41 Ca 0.00 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.64 1h5o s SER 41 Cb 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1h5o s SER 41 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86