#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 0.19 -0.05 -3.48 5.02 -1.26 -4.46 118.16 114.12 1h5o n LYS 2 Ca 0.00 0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1h5o n LYS 2 Cb 0.00 -0.75 -0.12 0.00 -0.02 0.00 0.00 35.03 34.14 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1h5o h GLN 3 N -0.35 0.02 -0.74 1.97 4.15 -1.99 -2.32 115.11 115.85 1h5o h GLN 3 Ca 0.00 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1h5o h GLN 3 Cb 0.35 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1h5o h GLN 3 CO 0.00 0.91 0.49 0.00 -1.93 0.00 0.00 178.83 178.30 1h5o h HIS 5 N 0.91 0.86 -0.41 0.00 -0.00 -1.78 -2.77 115.15 111.95 1h5o h HIS 5 Ca 0.29 -0.41 -0.12 0.00 -0.00 0.00 0.00 60.37 60.13 1h5o h HIS 5 Cb 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1h5o h HIS 5 CO -0.00 1.22 -0.21 -0.22 -0.00 0.00 0.00 177.93 178.72 1h5o h LYS 6 N 0.40 0.82 -0.51 5.26 1.63 -0.89 -2.92 116.57 120.36 1h5o h LYS 6 Ca -0.07 -0.33 -0.07 0.00 -0.85 0.00 0.00 60.65 59.33 1h5o h LYS 6 Cb 1.46 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.03 1h5o h LYS 6 CO 0.16 0.96 0.04 0.87 -3.45 0.00 0.00 179.45 178.03 1h5o h LYS 7 N 0.72 0.83 0.00 1.90 1.79 -1.24 -3.48 116.57 117.09 1h5o h LYS 7 Ca 0.10 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1h5o h LYS 7 Cb 0.74 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1h5o h LYS 7 CO 0.06 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 179.65 1h5o n GLY 8 N -0.68 0.76 3.56 3.86 0.00 -1.10 -5.04 105.19 106.55 1h5o n GLY 8 Ca 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.46 0.65 0.11 -0.02 0.00 -1.06 -4.42 107.32 101.13 1h5o s GLY 9 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.82 1h5o s GLY 9 CO 0.00 -0.69 -0.18 -1.58 0.00 0.00 0.00 173.10 170.65 1h5o s HIS 10 N -3.93 1.61 0.12 1.90 2.46 -1.00 -4.66 115.29 111.80 1h5o s HIS 10 Ca 0.24 -0.46 -0.29 0.00 0.47 0.00 0.00 55.06 55.01 1h5o s HIS 10 Cb -0.00 -0.86 -0.06 0.00 -0.13 0.00 0.00 32.58 31.52 1h5o s HIS 10 CO 0.10 0.19 0.93 0.00 -2.47 0.00 0.00 174.74 173.49 1h5o s PHE 12 N -0.20 0.20 1.01 0.00 0.08 0.22 -4.97 117.98 114.32 1h5o s PHE 12 Ca 0.45 -0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.14 1h5o s PHE 12 Cb -0.23 -0.13 0.07 0.00 -0.57 0.00 0.00 43.02 42.15 1h5o s PHE 12 CO 0.29 -0.07 0.32 -2.30 -0.10 0.00 0.00 175.22 173.37 1h5o n PRO 13 N 2.48 -0.77 -1.02 0.24 -0.02 -1.26 -1.26 135.00 133.39 1h5o n PRO 13 Ca -0.17 -0.19 -0.15 0.00 -2.02 0.00 0.00 63.50 60.97 1h5o n PRO 13 Cb 0.58 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.99 1.88 0.00 -0.52 2.85 -1.25 -3.90 118.16 115.23 1h5o n LYS 14 Ca 0.05 -1.32 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1h5o n LYS 14 Cb 0.56 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 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 1.38 0.43 -2.32 -1.58 0.28 -1.26 -5.12 120.64 112.44 1h5o n GLU 15 Ca 0.34 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.09 1h5o n GLU 15 Cb 0.66 -0.36 0.09 0.00 1.43 0.00 0.00 31.44 33.25 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 -0.90 1.93 0.25 3.44 1.02 -1.25 -5.03 119.74 119.19 1h5o s LYS 16 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1h5o s LYS 16 Cb 0.00 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 1h5o s LYS 16 CO 0.00 -1.36 0.98 0.42 -0.92 0.00 0.00 175.35 174.47 1h5o s ILE 17 N -3.23 3.91 0.00 2.17 1.01 -1.26 -5.06 121.20 118.75 1h5o s ILE 17 Ca 0.63 1.93 0.06 0.00 0.00 0.00 0.00 60.65 63.27 1h5o s ILE 17 Cb -0.09 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1h5o s ILE 17 CO 0.45 0.46 -0.18 0.00 0.00 0.00 0.00 174.94 175.67 1h5o s LEU 19 N -1.08 0.84 0.71 0.00 1.98 -1.26 -2.23 118.68 117.64 1h5o s LEU 19 Ca 0.13 -0.46 -0.12 0.00 -2.89 0.00 0.00 54.13 50.79 1h5o s LEU 19 Cb -0.10 -0.50 0.02 0.00 0.66 0.00 0.00 46.19 46.27 1h5o s LEU 19 CO 0.03 -0.26 1.08 -2.16 -1.89 0.00 0.00 176.35 173.15 1h5o s PRO 20 N 1.93 2.67 0.09 0.98 0.04 -1.26 -4.89 135.00 134.55 1h5o s PRO 20 Ca 0.02 1.13 0.13 0.00 0.04 0.00 0.00 61.00 62.32 1h5o s PRO 20 Cb -0.15 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 1h5o s PRO 20 CO -0.07 -1.32 1.00 -1.00 0.04 0.00 0.00 177.00 175.65 1h5o h PRO 21 N -0.67 0.00 -2.42 0.56 0.13 -1.81 -3.39 132.00 124.41 1h5o h PRO 21 Ca -0.44 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.92 1h5o h PRO 21 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1h5o h PRO 21 CO 0.54 0.55 1.71 0.43 -0.23 0.00 0.00 178.00 181.00 1h5o n SER 22 N -3.10 7.69 -2.72 1.44 7.64 -1.26 -4.42 113.62 118.89 1h5o n SER 22 Ca -0.07 -3.40 -0.07 0.00 1.01 0.00 0.00 58.87 56.34 1h5o n SER 22 Cb 0.90 -1.27 0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1h5o n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1h5o n SER 23 N 0.86 -2.29 -4.03 6.43 7.64 -1.26 -5.00 113.62 115.96 1h5o n SER 23 Ca 0.55 -2.77 -0.25 0.00 1.01 0.00 0.00 58.87 57.41 1h5o n SER 23 Cb 0.26 1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 64.74 1h5o n SER 23 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1h5o s ASP 24 N -1.15 1.81 0.68 6.43 -4.77 -1.26 -0.62 116.67 117.79 1h5o s ASP 24 Ca 0.29 -0.31 -0.05 0.00 -3.30 0.00 0.00 52.55 49.18 1h5o s ASP 24 Cb 0.23 -0.83 0.06 0.00 -1.09 0.00 0.00 42.92 41.29 1h5o s ASP 24 CO -0.18 0.04 0.98 -0.36 0.70 0.00 0.00 175.17 176.35 1h5o s PHE 25 N 0.63 2.89 0.00 2.11 0.08 0.11 -4.96 117.98 118.83 1h5o s PHE 25 Ca -0.14 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.28 1h5o s PHE 25 Cb -0.16 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1h5o s PHE 25 CO 0.04 -1.34 0.00 0.41 -0.10 0.00 0.00 175.22 174.23 1h5o n GLY 26 N -2.84 1.21 3.63 4.36 0.00 -1.26 -2.74 105.19 107.55 1h5o n GLY 26 Ca 0.08 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 2.16 3.94 0.00 1.61 -2.85 -1.26 -2.16 119.74 121.19 1h5o s LYS 27 Ca 0.00 1.24 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 1h5o s LYS 27 Cb 0.00 -3.86 0.00 0.00 -2.06 0.00 0.00 37.83 31.91 1h5o s LYS 27 CO 0.00 -1.09 0.00 -1.33 0.10 0.00 0.00 175.35 173.03 1h5o n MET 28 N 7.25 0.00 -2.37 1.78 2.81 -1.26 -4.93 117.12 120.40 1h5o n MET 28 Ca 0.14 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.68 1h5o n MET 28 Cb 0.47 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.99 1h5o n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1h5o n ASP 29 N 0.00 6.37 -0.36 7.83 9.92 -1.26 -4.95 116.55 134.10 1h5o n ASP 29 Ca 0.00 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.51 1h5o n ASP 29 Cb 0.00 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h5o n ARG 31 N 0.00 -1.54 0.08 0.00 1.85 -1.26 -4.95 116.66 110.84 1h5o n ARG 31 Ca 0.00 -1.81 -0.12 0.00 -1.00 0.00 0.00 57.85 54.92 1h5o n ARG 31 Cb 0.00 -1.29 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.89 -0.28 -0.45 2.89 2.91 -2.01 -3.12 115.95 114.01 1h5o h TRP 32 Ca -0.39 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.64 1h5o h TRP 32 Cb 1.09 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1h5o h TRP 32 CO 0.00 -0.17 0.00 0.54 -1.03 0.00 0.00 178.44 177.78 1h5o n ARG 33 N -5.23 2.27 -3.92 2.65 1.74 -1.26 -4.82 116.66 108.09 1h5o n ARG 33 Ca -0.07 -1.95 -0.21 0.00 -0.77 0.00 0.00 57.85 54.85 1h5o n ARG 33 Cb 0.15 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.41 3.12 0.24 -1.55 0.52 -1.18 -3.75 118.94 114.92 1h5o s TRP 34 Ca 0.37 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.36 1h5o s TRP 34 Cb 0.20 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 1h5o s TRP 34 CO 0.28 0.34 0.04 -1.59 0.02 0.00 0.00 176.95 176.04 1h5o s LYS 35 N -3.95 1.35 -0.33 4.98 -2.85 -0.39 -4.01 119.74 114.54 1h5o s LYS 35 Ca 0.37 -1.70 -0.02 0.00 -1.00 0.00 0.00 55.97 53.62 1h5o s LYS 35 Cb -0.08 -0.45 0.07 0.00 -2.06 0.00 0.00 37.83 35.31 1h5o s LYS 35 CO 0.27 -0.18 0.06 0.00 0.10 0.00 0.00 175.35 175.60 1h5o s LYS 38 N -2.49 1.11 0.21 0.00 2.20 0.21 -2.37 119.74 118.61 1h5o s LYS 38 Ca 0.42 -1.43 -0.03 0.00 -0.36 0.00 0.00 55.97 54.56 1h5o s LYS 38 Cb -0.12 -0.80 0.05 0.00 -1.51 0.00 0.00 37.83 35.44 1h5o s LYS 38 CO 0.21 0.12 0.29 1.63 -0.36 0.00 0.00 175.35 177.24 1h5o n LYS 39 N -0.08 -0.10 0.00 4.03 5.02 -1.25 -4.47 118.16 121.32 1h5o n LYS 39 Ca -0.11 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1h5o n LYS 39 Cb 0.60 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 3.04 0.73 2.94 0.72 0.00 -1.26 -4.52 105.19 106.84 1h5o n GLY 40 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h5o n SER 41 N -1.16 5.52 0.00 1.61 3.41 -1.26 -5.18 113.62 116.57 1h5o n SER 41 Ca 0.00 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 1h5o n SER 41 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49