#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 2.98 4.76 -1.26 -4.50 118.16 120.09 1h5o n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1h5o n LYS 2 Cb 0.00 -0.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.85 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 -0.02 0.00 1.97 5.75 -1.95 -3.00 115.11 117.86 1h5o h GLN 3 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1h5o h GLN 3 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1h5o h GLN 3 CO 0.00 0.76 -0.30 0.00 -2.65 0.00 0.00 178.83 176.64 1h5o h HIS 5 N 0.00 0.26 -0.22 0.00 -0.00 -1.79 0.17 115.15 113.57 1h5o h HIS 5 Ca -0.00 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.16 1h5o h HIS 5 Cb 0.53 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1h5o h HIS 5 CO 0.00 0.95 -0.11 -0.22 -0.00 0.00 0.00 177.93 178.55 1h5o h LYS 6 N 0.10 0.47 0.00 5.26 3.64 -1.30 -3.19 116.57 121.54 1h5o h LYS 6 Ca -0.04 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 1h5o h LYS 6 Cb 1.49 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 1h5o h LYS 6 CO 0.13 0.74 -0.78 0.87 -2.27 0.00 0.00 179.45 178.14 1h5o h LYS 7 N 0.17 0.00 0.00 1.90 1.57 -1.57 -3.49 116.57 115.16 1h5o h LYS 7 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1h5o h LYS 7 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1h5o h LYS 7 CO 0.03 0.78 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 1h5o n GLY 8 N 1.11 0.82 3.38 3.86 0.00 -0.55 -5.10 105.19 108.71 1h5o n GLY 8 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.70 1.55 -0.08 -0.02 0.00 0.49 -4.79 107.32 102.76 1h5o s GLY 9 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 1h5o s GLY 9 CO 0.00 -1.69 -0.01 0.30 0.00 0.00 0.00 173.10 171.70 1h5o s HIS 10 N -2.29 3.12 0.01 1.90 3.76 -0.42 -4.59 115.29 116.79 1h5o s HIS 10 Ca 0.21 0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.98 1h5o s HIS 10 Cb -0.05 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 1h5o s HIS 10 CO 0.09 0.45 1.01 0.00 -0.85 0.00 0.00 174.74 175.44 1h5o s PHE 12 N 1.03 0.43 0.46 0.00 0.08 0.73 -4.96 117.98 115.75 1h5o s PHE 12 Ca 0.53 -0.95 -0.24 0.00 0.12 0.00 0.00 56.93 56.39 1h5o s PHE 12 Cb -0.22 -0.31 -0.07 0.00 -0.57 0.00 0.00 43.02 41.84 1h5o s PHE 12 CO 0.28 -0.41 1.34 -2.14 -0.10 0.00 0.00 175.22 174.19 1h5o s PRO 13 N -3.86 3.64 -0.06 0.24 0.02 -1.26 -0.50 135.00 133.21 1h5o s PRO 13 Ca 0.06 2.21 -0.19 0.00 0.02 0.00 0.00 61.00 63.10 1h5o s PRO 13 Cb 0.07 -2.55 -0.14 0.00 0.02 0.00 0.00 34.50 31.90 1h5o s PRO 13 CO -0.10 -0.79 0.77 -0.22 -0.33 0.00 0.00 177.00 176.33 1h5o h LYS 14 N 2.17 -0.20 -0.05 5.54 3.64 -1.58 -3.33 116.57 122.75 1h5o h LYS 14 Ca -0.50 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1h5o h LYS 14 Cb 1.27 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1h5o h LYS 14 CO 0.60 0.20 -0.03 1.05 -2.27 0.00 0.00 179.45 179.01 1h5o h GLU 15 N -0.91 0.07 -6.86 1.90 4.11 -1.94 -3.42 114.58 107.52 1h5o h GLU 15 Ca -0.02 -0.01 -0.44 0.00 0.07 0.00 0.00 59.36 58.96 1h5o h GLU 15 Cb 0.50 -0.01 0.05 0.00 0.50 0.00 0.00 28.75 29.79 1h5o h GLU 15 CO 0.04 0.10 -0.02 0.15 0.07 0.00 0.00 179.01 179.35 1h5o s LYS 16 N -4.98 2.54 -0.06 1.06 -0.14 -1.25 -5.03 119.74 111.88 1h5o s LYS 16 Ca -0.05 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.53 1h5o s LYS 16 Cb 0.17 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 1h5o s LYS 16 CO 0.69 -0.73 1.24 0.42 -0.76 0.00 0.00 175.35 176.21 1h5o s ILE 17 N -2.79 4.17 -0.04 2.17 1.01 -1.26 -4.76 121.20 119.71 1h5o s ILE 17 Ca 0.57 1.50 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 1h5o s ILE 17 Cb -0.10 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1h5o s ILE 17 CO 0.39 -0.02 0.17 0.00 0.00 0.00 0.00 174.94 175.48 1h5o s LEU 19 N -1.68 2.48 0.62 0.00 1.98 -1.26 -2.74 118.68 118.07 1h5o s LEU 19 Ca 0.24 -0.79 -0.09 0.00 -2.89 0.00 0.00 54.13 50.60 1h5o s LEU 19 Cb -0.12 -1.52 -0.01 0.00 0.66 0.00 0.00 46.19 45.20 1h5o s LEU 19 CO 0.15 -0.04 0.98 -2.16 -1.89 0.00 0.00 176.35 173.38 1h5o s PRO 20 N 1.27 3.18 -0.16 0.98 0.04 -1.26 -4.83 135.00 134.21 1h5o s PRO 20 Ca 0.02 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.30 1h5o s PRO 20 Cb -0.15 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1h5o s PRO 20 CO -0.11 -0.70 0.05 -1.00 0.04 0.00 0.00 177.00 175.29 1h5o h PRO 21 N -0.31 0.00 -1.97 0.56 0.13 -1.91 -3.39 132.00 125.11 1h5o h PRO 21 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1h5o h PRO 21 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1h5o h PRO 21 CO 0.62 0.44 0.04 -1.13 -0.23 0.00 0.00 178.00 177.75 1h5o n SER 22 N -4.56 5.90 -2.71 1.44 3.41 -1.26 -4.27 113.62 111.57 1h5o n SER 22 Ca -0.16 -2.85 -0.06 0.00 -0.26 0.00 0.00 58.87 55.54 1h5o n SER 22 Cb 0.41 -1.30 0.05 0.00 -0.26 0.00 0.00 64.21 63.11 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 1.56 -2.25 -4.12 4.04 3.41 -1.26 -5.16 113.62 109.83 1h5o n SER 23 Ca 0.43 -2.45 -0.13 0.00 -0.26 0.00 0.00 58.87 56.46 1h5o n SER 23 Cb 0.71 1.30 -0.11 0.00 -0.26 0.00 0.00 64.21 65.85 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 -0.54 1.12 0.42 4.04 1.47 -1.26 -3.12 116.67 118.80 1h5o s ASP 24 Ca 0.29 -0.73 0.02 0.00 1.18 0.00 0.00 52.55 53.30 1h5o s ASP 24 Cb 0.18 0.04 -0.01 0.00 -0.34 0.00 0.00 42.92 42.79 1h5o s ASP 24 CO -0.15 -0.27 0.62 -0.36 0.68 0.00 0.00 175.17 175.69 1h5o s PHE 25 N -2.17 3.22 0.00 2.11 0.08 0.26 -4.99 117.98 116.49 1h5o s PHE 25 Ca -0.00 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1h5o s PHE 25 Cb -0.05 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 1h5o s PHE 25 CO -0.01 -0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 1h5o n GLY 26 N -1.97 1.20 3.53 4.36 0.00 -1.26 -2.86 105.19 108.19 1h5o n GLY 26 Ca 0.01 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1h5o n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5o s LYS 27 N 1.78 3.59 0.00 1.61 1.02 -1.26 -2.98 119.74 123.50 1h5o s LYS 27 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1h5o s LYS 27 Cb 0.00 -5.25 0.00 0.00 -0.52 0.00 0.00 37.83 32.06 1h5o s LYS 27 CO 0.00 -2.11 0.00 -1.33 -0.92 0.00 0.00 175.35 170.99 1h5o n MET 28 N 8.35 0.00 -2.69 1.68 2.81 -1.26 -4.87 117.12 121.13 1h5o n MET 28 Ca 0.31 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.10 1h5o n MET 28 Cb 0.51 -0.13 0.03 0.00 -0.71 0.00 0.00 33.22 32.92 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 -0.29 1.28 0.00 7.83 5.75 -1.26 -4.92 116.55 124.94 1h5o n ASP 29 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 1h5o n ASP 29 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 0.78 0.22 0.00 0.63 -1.26 -5.01 116.66 112.02 1h5o n ARG 31 Ca 0.00 -2.79 -0.15 0.00 -0.92 0.00 0.00 57.85 53.99 1h5o n ARG 31 Cb 0.00 2.77 -0.07 0.00 0.45 0.00 0.00 32.46 35.61 1h5o n ARG 31 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1h5o h TRP 32 N 2.04 -0.67 -0.54 -0.14 2.91 -2.02 -2.83 115.95 114.69 1h5o h TRP 32 Ca -0.29 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.73 1h5o h TRP 32 Cb 1.22 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 1h5o h TRP 32 CO 0.00 -0.39 0.00 0.54 -1.03 0.00 0.00 178.44 177.56 1h5o n ARG 33 N -5.38 2.59 -3.94 2.65 1.74 -1.26 -4.97 116.66 108.08 1h5o n ARG 33 Ca -0.10 -2.08 -0.21 0.00 -0.77 0.00 0.00 57.85 54.69 1h5o n ARG 33 Cb 0.29 -1.55 -0.04 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 -1.44 3.00 0.24 -1.55 0.52 -1.07 -1.55 118.94 117.08 1h5o s TRP 34 Ca 0.38 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.25 1h5o s TRP 34 Cb 0.22 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.88 1h5o s TRP 34 CO 0.23 0.33 0.28 -1.59 0.02 0.00 0.00 176.95 176.22 1h5o s LYS 35 N -3.93 1.43 0.00 4.98 -2.85 0.34 -4.35 119.74 115.37 1h5o s LYS 35 Ca 0.37 -1.58 -0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1h5o s LYS 35 Cb -0.07 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1h5o s LYS 35 CO 0.26 -0.53 0.09 0.00 0.10 0.00 0.00 175.35 175.27 1h5o s LYS 38 N -2.87 0.20 0.00 0.00 2.20 -1.18 -1.30 119.74 116.79 1h5o s LYS 38 Ca 0.09 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1h5o s LYS 38 Cb -0.03 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1h5o s LYS 38 CO 0.02 -0.04 0.00 0.36 -0.36 0.00 0.00 175.35 175.34 1h5o n LYS 39 N 2.52 3.26 0.11 4.03 -0.00 -1.26 -4.64 118.16 122.17 1h5o n LYS 39 Ca -0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.11 1h5o n LYS 39 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.59 1h5o n LYS 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1h5o h GLY 40 N 0.00 -0.29 -6.41 2.58 0.00 -2.01 -3.33 103.07 93.60 1h5o h GLY 40 Ca 0.00 0.11 -0.76 0.00 0.00 0.00 0.00 47.33 46.68 1h5o h GLY 40 CO 0.00 -0.11 1.92 -1.26 0.00 0.00 0.00 176.54 177.10 1h5o n SER 41 N -2.85 5.50 0.00 0.19 2.88 -1.26 -5.24 113.62 112.84 1h5o n SER 41 Ca -0.03 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 1h5o n SER 41 Cb 0.11 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42