#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 0.18 -0.05 -3.48 3.00 -1.26 -4.16 118.16 112.39 1h5o n LYS 2 Ca 0.00 0.21 -0.12 0.00 -0.00 0.00 0.00 58.31 58.40 1h5o n LYS 2 Cb 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 35.03 33.96 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1h5o h GLN 3 N -0.36 -0.02 -0.96 1.64 4.15 -1.94 -2.77 115.11 114.85 1h5o h GLN 3 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1h5o h GLN 3 Cb 0.27 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 1h5o h GLN 3 CO 0.00 0.74 0.63 0.00 -1.93 0.00 0.00 178.83 178.27 1h5o h HIS 5 N 1.23 0.93 -0.11 0.00 -0.00 -1.72 -2.75 115.15 112.73 1h5o h HIS 5 Ca 0.38 -0.59 -0.17 0.00 -0.00 0.00 0.00 60.37 59.99 1h5o h HIS 5 Cb -0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1h5o h HIS 5 CO -0.01 1.43 -0.66 -0.22 -0.00 0.00 0.00 177.93 178.48 1h5o h LYS 6 N 0.25 0.43 -0.49 5.26 3.64 -1.29 -3.19 116.57 121.17 1h5o h LYS 6 Ca -0.18 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1h5o h LYS 6 Cb 1.90 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.76 1h5o h LYS 6 CO 0.23 0.94 0.09 0.87 -2.27 0.00 0.00 179.45 179.31 1h5o h LYS 7 N 0.31 0.80 0.00 1.90 1.79 -1.15 -3.48 116.57 116.73 1h5o h LYS 7 Ca -0.02 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1h5o h LYS 7 Cb 1.21 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1h5o h LYS 7 CO 0.11 0.80 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 1h5o n GLY 8 N -0.54 0.39 3.71 3.86 0.00 -1.17 -4.83 105.19 106.60 1h5o n GLY 8 Ca 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 0.11 2.99 -0.02 0.00 -1.04 -1.77 105.19 105.46 1h5o n GLY 9 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.01 0.50 0.07 1.61 2.46 -0.96 -4.34 115.29 112.62 1h5o s HIS 10 Ca 0.30 -0.26 -0.30 0.00 0.47 0.00 0.00 55.06 55.27 1h5o s HIS 10 Cb -0.00 -0.31 -0.05 0.00 -0.13 0.00 0.00 32.58 32.09 1h5o s HIS 10 CO -0.03 -0.04 0.98 0.00 -2.47 0.00 0.00 174.74 173.18 1h5o s PHE 12 N 0.39 0.42 1.15 0.00 0.08 -0.20 -4.95 117.98 114.86 1h5o s PHE 12 Ca 0.49 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 1h5o s PHE 12 Cb -0.23 -0.29 0.22 0.00 -0.57 0.00 0.00 43.02 42.15 1h5o s PHE 12 CO 0.29 -0.22 0.63 -2.30 -0.10 0.00 0.00 175.22 173.52 1h5o n PRO 13 N 1.10 -2.09 0.00 0.24 -0.02 -1.26 -1.16 135.00 131.81 1h5o n PRO 13 Ca -0.21 -0.58 0.14 0.00 -2.02 0.00 0.00 63.50 60.83 1h5o n PRO 13 Cb 0.57 -1.99 0.63 0.00 -0.02 0.00 0.00 33.50 32.69 1h5o n PRO 13 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1h5o n LYS 14 N -3.83 0.07 -2.61 -0.52 2.85 -1.25 -4.12 118.16 108.75 1h5o n LYS 14 Ca 0.02 -0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 1h5o n LYS 14 Cb 0.57 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.48 1h5o n LYS 14 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1h5o n GLU 15 N -1.46 1.93 -4.14 -1.58 0.28 -1.26 -5.01 120.64 109.39 1h5o n GLU 15 Ca 0.08 -3.64 -0.14 0.00 -0.16 0.00 0.00 57.16 53.31 1h5o n GLU 15 Cb 0.32 -1.60 -0.07 0.00 1.43 0.00 0.00 31.44 31.52 1h5o n GLU 15 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1h5o s LYS 16 N -3.38 1.64 -0.21 3.44 1.02 -1.26 -5.13 119.74 115.86 1h5o s LYS 16 Ca 0.33 -1.69 -0.19 0.00 0.02 0.00 0.00 55.97 54.44 1h5o s LYS 16 Cb 0.42 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 38.08 1h5o s LYS 16 CO -0.02 -0.64 0.57 0.42 -0.92 0.00 0.00 175.35 174.75 1h5o s ILE 17 N -3.57 5.06 0.15 2.17 1.01 -1.26 -5.00 121.20 119.75 1h5o s ILE 17 Ca 0.33 1.04 0.09 0.00 0.00 0.00 0.00 60.65 62.11 1h5o s ILE 17 Cb 0.02 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1h5o s ILE 17 CO 0.18 0.12 -0.21 0.00 0.00 0.00 0.00 174.94 175.03 1h5o s LEU 19 N -2.37 3.36 0.53 0.00 1.98 -1.26 -1.96 118.68 118.95 1h5o s LEU 19 Ca 0.14 -0.62 -0.07 0.00 -2.89 0.00 0.00 54.13 50.69 1h5o s LEU 19 Cb -0.08 -1.78 -0.04 0.00 0.66 0.00 0.00 46.19 44.95 1h5o s LEU 19 CO 0.06 -0.11 0.87 -2.16 -1.89 0.00 0.00 176.35 173.13 1h5o s PRO 20 N 1.46 3.57 -0.12 0.98 0.04 -1.26 -4.93 135.00 134.73 1h5o s PRO 20 Ca 0.03 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.39 1h5o s PRO 20 Cb -0.16 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 1h5o s PRO 20 CO -0.01 -0.33 0.11 -1.00 0.04 0.00 0.00 177.00 175.81 1h5o h PRO 21 N 0.06 0.00 -2.45 0.56 0.13 -1.80 -3.39 132.00 125.11 1h5o h PRO 21 Ca -0.46 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.94 1h5o h PRO 21 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1h5o h PRO 21 CO 0.62 0.24 1.84 0.43 -0.23 0.00 0.00 178.00 180.90 1h5o n SER 22 N -4.69 7.72 -3.03 1.44 7.64 -1.26 -4.61 113.62 116.83 1h5o n SER 22 Ca -0.05 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1h5o n SER 22 Cb 0.18 -1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1h5o n SER 22 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1h5o s SER 23 N -0.09 -1.20 0.10 6.43 0.15 -1.26 -5.13 113.70 112.69 1h5o s SER 23 Ca 0.51 -0.75 -0.12 0.00 0.70 0.00 0.00 55.95 56.29 1h5o s SER 23 Cb 0.21 1.55 0.01 0.00 -1.71 0.00 0.00 66.02 66.08 1h5o s SER 23 CO -0.13 -0.12 0.28 1.51 1.20 0.00 0.00 173.24 175.99 1h5o s ASP 24 N 1.70 -0.04 0.63 5.45 -4.77 -1.26 -1.16 116.67 117.22 1h5o s ASP 24 Ca 0.18 -0.47 0.07 0.00 -3.30 0.00 0.00 52.55 49.02 1h5o s ASP 24 Cb -0.01 0.39 0.11 0.00 -1.09 0.00 0.00 42.92 42.32 1h5o s ASP 24 CO -0.09 -0.76 0.87 -0.36 0.70 0.00 0.00 175.17 175.53 1h5o s PHE 25 N -3.68 1.31 0.00 2.11 0.08 0.15 -4.91 117.98 113.03 1h5o s PHE 25 Ca 0.03 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1h5o s PHE 25 Cb 0.03 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1h5o s PHE 25 CO -0.10 -1.39 0.00 0.41 -0.10 0.00 0.00 175.22 174.03 1h5o n GLY 26 N -2.45 0.67 3.58 4.36 0.00 -1.26 -3.05 105.19 107.04 1h5o n GLY 26 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 2.85 3.60 0.00 1.61 -2.85 -1.26 -3.21 119.74 120.48 1h5o s LYS 27 Ca 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 1h5o s LYS 27 Cb 0.00 -3.94 0.00 0.00 -2.06 0.00 0.00 37.83 31.83 1h5o s LYS 27 CO 0.00 -1.40 0.00 -1.33 0.10 0.00 0.00 175.35 172.72 1h5o n MET 28 N 7.73 0.00 -2.86 1.78 2.81 -1.26 -4.93 117.12 120.38 1h5o n MET 28 Ca 0.09 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 1h5o n MET 28 Cb 0.49 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.01 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 6.78 0.00 7.83 2.03 -1.26 -4.90 116.55 127.03 1h5o n ASP 29 Ca 0.00 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.78 1h5o n ASP 29 Cb 0.00 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 4.33 3.48 0.33 0.00 3.52 -1.26 -4.96 118.95 124.38 1h5o s ARG 31 Ca 0.00 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.10 1h5o s ARG 31 Cb 0.00 -2.21 0.67 0.00 -1.56 0.00 0.00 34.95 31.85 1h5o s ARG 31 CO 0.00 -0.46 1.88 2.35 -0.81 0.00 0.00 175.30 178.26 1h5o h TRP 32 N -0.11 0.95 -0.32 5.12 2.91 -2.00 -2.60 115.95 119.89 1h5o h TRP 32 Ca -0.45 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1h5o h TRP 32 Cb 1.20 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1h5o h TRP 32 CO 0.61 0.41 0.00 0.54 -1.03 0.00 0.00 178.44 178.97 1h5o n ARG 33 N -4.55 2.94 -4.05 2.65 1.74 -1.26 -4.82 116.66 109.32 1h5o n ARG 33 Ca 0.16 -2.40 -0.29 0.00 -0.77 0.00 0.00 57.85 54.55 1h5o n ARG 33 Cb 0.35 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.76 3.21 0.35 -1.55 0.52 -0.98 -3.90 118.94 114.83 1h5o s TRP 34 Ca 0.32 0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.58 1h5o s TRP 34 Cb 0.22 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1h5o s TRP 34 CO 0.13 0.53 0.19 0.15 0.02 0.00 0.00 176.95 177.97 1h5o s LYS 35 N -2.67 2.45 -0.27 4.98 1.02 -0.31 -4.25 119.74 120.69 1h5o s LYS 35 Ca 0.30 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 1h5o s LYS 35 Cb -0.11 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1h5o s LYS 35 CO 0.23 0.07 -0.03 0.00 -0.92 0.00 0.00 175.35 174.70 1h5o s LYS 38 N -2.17 4.12 0.00 0.00 2.20 -0.31 -2.28 119.74 121.31 1h5o s LYS 38 Ca 0.52 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1h5o s LYS 38 Cb -0.20 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1h5o s LYS 38 CO 0.26 -0.34 0.00 1.63 -0.36 0.00 0.00 175.35 176.53 1h5o n LYS 39 N 5.47 0.00 0.00 4.03 5.02 -0.73 -4.42 118.16 127.54 1h5o n LYS 39 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1h5o n LYS 39 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h5o n GLY 40 N 2.41 -0.08 2.35 0.72 0.00 -1.14 -4.94 105.19 104.51 1h5o n GLY 40 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h5o n SER 41 N 0.00 -6.17 0.00 1.61 2.88 -1.26 -4.92 113.62 105.76 1h5o n SER 41 Ca 0.00 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1h5o n SER 41 Cb 0.00 -4.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.45 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42