#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 -0.27 0.01 2.98 1.79 -1.99 -3.22 116.57 115.86 1h5o h LYS 2 Ca 0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1h5o h LYS 2 Cb 0.00 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1h5o h LYS 2 CO 0.00 0.03 -0.11 0.37 -1.08 0.00 0.00 179.45 178.66 1h5o h GLN 3 N -0.99 0.07 -0.01 3.15 4.15 -1.95 -3.28 115.11 116.26 1h5o h GLN 3 Ca -0.03 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.14 1h5o h GLN 3 Cb 0.43 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1h5o h GLN 3 CO 0.05 0.90 -0.78 0.00 -1.93 0.00 0.00 178.83 177.07 1h5o h HIS 5 N 0.05 0.00 -0.90 0.00 -0.00 -1.71 0.99 115.15 113.57 1h5o h HIS 5 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1h5o h HIS 5 Cb 1.37 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.73 1h5o h HIS 5 CO 0.01 0.40 0.49 -0.22 -0.00 0.00 0.00 177.93 178.61 1h5o h LYS 6 N 0.00 1.25 -0.02 5.26 1.63 -1.59 -2.66 116.57 120.44 1h5o h LYS 6 Ca -0.00 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.53 1h5o h LYS 6 Cb 0.76 -0.24 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1h5o h LYS 6 CO 0.05 0.91 -0.43 0.87 -3.45 0.00 0.00 179.45 177.41 1h5o h LYS 7 N 1.25 0.33 0.00 1.90 1.57 -1.57 -3.50 116.57 116.56 1h5o h LYS 7 Ca 0.31 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h5o h LYS 7 Cb 0.03 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1h5o h LYS 7 CO -0.05 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 1h5o n GLY 8 N 0.96 1.69 2.44 3.86 0.00 0.32 -5.14 105.19 109.32 1h5o n GLY 8 Ca -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 0.01 0.81 2.95 -0.02 0.00 -1.18 -4.26 105.19 103.50 1h5o n GLY 9 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.43 0.26 0.11 1.61 2.46 0.20 -4.66 115.29 111.84 1h5o s HIS 10 Ca 0.15 -0.29 -0.15 0.00 0.47 0.00 0.00 55.06 55.25 1h5o s HIS 10 Cb -0.02 -0.17 -0.07 0.00 -0.13 0.00 0.00 32.58 32.20 1h5o s HIS 10 CO 0.03 -0.09 0.52 0.00 -2.47 0.00 0.00 174.74 172.74 1h5o s PHE 12 N -1.37 0.41 1.03 0.00 0.08 0.05 -4.96 117.98 113.22 1h5o s PHE 12 Ca 0.35 -0.90 -0.14 0.00 0.12 0.00 0.00 56.93 56.35 1h5o s PHE 12 Cb -0.16 -0.30 0.11 0.00 -0.57 0.00 0.00 43.02 42.10 1h5o s PHE 12 CO 0.18 -0.39 0.49 -2.30 -0.10 0.00 0.00 175.22 173.10 1h5o n PRO 13 N 0.25 -1.02 0.25 0.24 -0.02 -1.26 -1.33 135.00 132.10 1h5o n PRO 13 Ca -0.15 -0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.20 1h5o n PRO 13 Cb 0.61 -1.93 0.58 0.00 -0.02 0.00 0.00 33.50 32.73 1h5o n PRO 13 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1h5o h LYS 14 N -1.93 0.00 0.00 -0.52 2.10 -1.90 -3.18 116.57 111.14 1h5o h LYS 14 Ca -0.49 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.06 1h5o h LYS 14 Cb 1.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 1h5o h LYS 14 CO 0.39 0.13 -0.49 1.05 -2.00 0.00 0.00 179.45 178.52 1h5o h GLU 15 N 0.00 0.00 -6.88 0.07 4.11 -1.90 -3.46 114.58 106.51 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 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1h5o h GLU 15 CO 0.02 0.43 0.45 0.15 0.07 0.00 0.00 179.01 180.13 1h5o s LYS 16 N -2.99 4.39 0.02 1.06 -0.14 -1.20 -4.99 119.74 115.88 1h5o s LYS 16 Ca 0.04 1.68 -0.28 0.00 -1.36 0.00 0.00 55.97 56.05 1h5o s LYS 16 Cb 0.07 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1h5o s LYS 16 CO 0.74 0.02 0.89 0.42 -0.76 0.00 0.00 175.35 176.66 1h5o s ILE 17 N -1.39 4.80 -0.52 2.17 1.01 -1.26 -4.96 121.20 121.04 1h5o s ILE 17 Ca 0.51 1.88 -0.17 0.00 0.00 0.00 0.00 60.65 62.87 1h5o s ILE 17 Cb -0.28 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.05 1h5o s ILE 17 CO 0.35 0.25 0.51 0.00 0.00 0.00 0.00 174.94 176.04 1h5o s LEU 19 N 1.94 3.13 0.83 0.00 2.96 -1.26 -3.43 118.68 122.84 1h5o s LEU 19 Ca 0.07 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1h5o s LEU 19 Cb -0.25 -1.72 0.09 0.00 0.50 0.00 0.00 46.19 44.81 1h5o s LEU 19 CO 0.06 0.24 1.09 -2.16 -1.32 0.00 0.00 176.35 174.26 1h5o s PRO 20 N -0.07 1.82 0.45 0.98 0.04 -1.26 -5.03 135.00 131.93 1h5o s PRO 20 Ca 0.01 0.88 0.24 0.00 0.04 0.00 0.00 61.00 62.17 1h5o s PRO 20 Cb -0.13 -1.87 1.03 0.00 0.04 0.00 0.00 34.50 33.57 1h5o s PRO 20 CO 0.03 -1.87 1.88 -1.00 0.04 0.00 0.00 177.00 176.08 1h5o h PRO 21 N -1.28 0.00 -1.98 0.56 0.13 -2.01 -2.94 132.00 124.48 1h5o h PRO 21 Ca -0.47 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.26 1h5o h PRO 21 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1h5o h PRO 21 CO 0.55 0.21 0.18 -1.13 -0.23 0.00 0.00 178.00 177.58 1h5o n SER 22 N -3.46 6.12 -2.72 1.44 3.41 -1.26 -4.16 113.62 112.99 1h5o n SER 22 Ca -0.00 -2.99 -0.09 0.00 -0.26 0.00 0.00 58.87 55.53 1h5o n SER 22 Cb 0.39 -1.27 0.07 0.00 -0.26 0.00 0.00 64.21 63.14 1h5o n SER 22 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1h5o n SER 23 N 1.30 -0.46 -3.76 4.04 2.88 -1.11 -5.07 113.62 111.44 1h5o n SER 23 Ca 0.46 -2.69 -0.15 0.00 -1.33 0.00 0.00 58.87 55.16 1h5o n SER 23 Cb 0.65 0.38 -0.16 0.00 -0.75 0.00 0.00 64.21 64.33 1h5o n SER 23 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1h5o s ASP 24 N -2.03 0.12 0.30 -3.46 2.15 -1.26 -3.09 116.67 109.40 1h5o s ASP 24 Ca 0.25 0.09 0.10 0.00 0.43 0.00 0.00 52.55 53.42 1h5o s ASP 24 Cb 0.41 -0.03 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 1h5o s ASP 24 CO -0.04 -0.14 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.41 1h5o s PHE 25 N 1.19 2.52 0.00 -5.34 0.08 0.19 -4.99 117.98 111.63 1h5o s PHE 25 Ca -0.08 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1h5o s PHE 25 Cb -0.13 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1h5o s PHE 25 CO -0.04 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 1h5o n GLY 26 N -0.85 1.04 3.56 4.36 0.00 -1.26 -2.67 105.19 109.38 1h5o n GLY 26 Ca -0.05 -1.48 -0.41 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 0.65 3.22 0.00 1.61 -2.85 -1.26 -1.56 119.74 119.55 1h5o s LYS 27 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 1h5o s LYS 27 Cb 0.00 -4.16 0.00 0.00 -2.06 0.00 0.00 37.83 31.61 1h5o s LYS 27 CO 0.00 -2.08 0.00 -1.33 0.10 0.00 0.00 175.35 172.04 1h5o n MET 28 N 9.11 0.00 -2.53 1.78 2.81 -1.26 -4.86 117.12 122.17 1h5o n MET 28 Ca 0.06 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 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 7.16 -0.10 7.83 2.03 -1.26 -4.92 116.55 127.30 1h5o n ASP 29 Ca 0.00 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.85 1h5o n ASP 29 Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 0.71 2.74 0.12 0.00 3.52 -1.26 -4.95 118.95 119.82 1h5o s ARG 31 Ca 0.00 1.23 -0.21 0.00 -0.13 0.00 0.00 55.73 56.62 1h5o s ARG 31 Cb 0.00 -1.95 -0.06 0.00 -1.56 0.00 0.00 34.95 31.38 1h5o s ARG 31 CO 0.00 -1.28 1.71 2.35 -0.81 0.00 0.00 175.30 177.27 1h5o h TRP 32 N -0.36 -0.11 -0.56 5.12 -0.00 -2.00 -2.61 115.95 115.43 1h5o h TRP 32 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.45 1h5o h TRP 32 Cb 1.23 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.46 1h5o h TRP 32 CO 0.57 -0.08 0.00 0.54 -0.00 0.00 0.00 178.44 179.47 1h5o n ARG 33 N -5.19 2.72 -3.74 2.65 1.74 -1.26 -4.91 116.66 108.68 1h5o n ARG 33 Ca -0.04 -2.19 -0.23 0.00 -0.77 0.00 0.00 57.85 54.63 1h5o n ARG 33 Cb 0.11 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.46 2.43 0.26 -1.55 0.52 -0.98 -3.68 118.94 114.48 1h5o s TRP 34 Ca 0.40 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.95 1h5o s TRP 34 Cb 0.23 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1h5o s TRP 34 CO 0.24 -0.16 0.19 -1.59 0.02 0.00 0.00 176.95 175.65 1h5o s LYS 35 N -4.13 1.44 0.14 4.98 -2.85 -0.45 -4.31 119.74 114.57 1h5o s LYS 35 Ca 0.44 -1.80 0.06 0.00 -1.00 0.00 0.00 55.97 53.67 1h5o s LYS 35 Cb -0.02 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1h5o s LYS 35 CO 0.26 -0.49 0.02 0.00 0.10 0.00 0.00 175.35 175.23 1h5o s LYS 38 N -3.37 3.99 0.28 0.00 2.20 -1.18 -0.63 119.74 121.03 1h5o s LYS 38 Ca 0.03 -2.02 0.05 0.00 -0.36 0.00 0.00 55.97 53.67 1h5o s LYS 38 Cb 0.04 -5.50 -0.06 0.00 -1.51 0.00 0.00 37.83 30.80 1h5o s LYS 38 CO -0.07 -2.22 -0.01 0.15 -0.36 0.00 0.00 175.35 172.83 1h5o s LYS 39 N 4.06 1.53 -0.13 4.03 -0.14 -1.26 -4.92 119.74 122.92 1h5o s LYS 39 Ca 0.53 -1.80 -0.12 0.00 -1.36 0.00 0.00 55.97 53.22 1h5o s LYS 39 Cb 0.03 -0.96 -0.04 0.00 -1.68 0.00 0.00 37.83 35.18 1h5o s LYS 39 CO 0.07 -0.05 -0.24 0.41 -0.76 0.00 0.00 175.35 174.78 1h5o n GLY 40 N -0.58 -0.56 2.44 -3.33 0.00 -1.26 -3.42 105.19 98.48 1h5o n GLY 40 Ca -0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.92 -1.17 0.00 1.61 3.41 -1.26 -4.83 113.62 107.46 1h5o n SER 41 Ca -0.10 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1h5o n SER 41 Cb 0.35 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49