#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 -0.04 2.98 5.02 -1.26 -5.02 118.16 119.84 1h5o n LYS 2 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1h5o n LYS 2 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 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 0.00 0.05 -0.24 1.97 5.75 -1.96 -2.83 115.11 117.86 1h5o h GLN 3 Ca 0.00 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1h5o h GLN 3 Cb 0.00 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1h5o h GLN 3 CO 0.00 0.80 0.02 0.00 -2.65 0.00 0.00 178.83 177.00 1h5o h HIS 5 N 0.34 0.00 -0.42 0.00 -0.00 -1.71 -1.53 115.15 111.83 1h5o h HIS 5 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1h5o h HIS 5 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1h5o h HIS 5 CO 0.00 0.59 0.01 -0.22 -0.00 0.00 0.00 177.93 178.31 1h5o h LYS 6 N 0.00 0.73 -0.12 5.26 3.64 -1.18 -3.06 116.57 121.84 1h5o h LYS 6 Ca -0.01 -0.23 -0.19 0.00 -1.27 0.00 0.00 60.65 58.96 1h5o h LYS 6 Cb 1.04 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1h5o h LYS 6 CO 0.08 0.81 -0.69 0.87 -2.27 0.00 0.00 179.45 178.24 1h5o h LYS 7 N 0.57 0.52 0.00 1.90 1.57 -1.55 -3.48 116.57 116.10 1h5o h LYS 7 Ca 0.12 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1h5o h LYS 7 Cb 0.47 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1h5o h LYS 7 CO 0.02 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 1h5o n GLY 8 N 0.51 0.56 0.22 3.86 0.00 -0.83 -5.02 105.19 104.50 1h5o n GLY 8 Ca -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 2.13 3.14 -0.02 0.00 -0.64 -4.82 105.19 104.98 1h5o n GLY 9 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1h5o n GLY 9 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h5o s HIS 10 N -7.94 0.45 0.32 1.61 3.76 -1.24 -4.12 115.29 108.13 1h5o s HIS 10 Ca 0.01 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 53.72 1h5o s HIS 10 Cb -0.00 -0.29 -0.10 0.00 1.11 0.00 0.00 32.58 33.30 1h5o s HIS 10 CO 0.01 -0.46 0.95 0.00 -0.85 0.00 0.00 174.74 174.38 1h5o s PHE 12 N -1.59 0.66 0.75 0.00 0.08 0.16 -4.94 117.98 113.10 1h5o s PHE 12 Ca 0.50 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 57.08 1h5o s PHE 12 Cb -0.19 -0.40 0.05 0.00 -0.57 0.00 0.00 43.02 41.91 1h5o s PHE 12 CO 0.24 -0.04 1.24 -2.14 -0.10 0.00 0.00 175.22 174.42 1h5o s PRO 13 N -0.95 1.94 -1.26 0.24 0.02 -1.26 -1.25 135.00 132.46 1h5o s PRO 13 Ca -0.04 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.69 1h5o s PRO 13 Cb -0.07 -1.80 0.11 0.00 0.02 0.00 0.00 34.50 32.77 1h5o s PRO 13 CO 0.00 -2.02 1.61 1.17 -0.33 0.00 0.00 177.00 177.44 1h5o n LYS 14 N -2.83 3.27 0.00 5.54 4.81 0.78 -3.93 118.16 125.80 1h5o n LYS 14 Ca 0.14 -3.52 0.00 0.00 -0.87 0.00 0.00 58.31 54.06 1h5o n LYS 14 Cb 0.50 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 32.24 1h5o n LYS 14 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1h5o n GLU 15 N 7.22 0.00 -3.37 1.64 0.28 -1.26 -5.01 120.64 120.13 1h5o n GLU 15 Ca 0.44 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 57.17 1h5o n GLU 15 Cb 0.45 -0.14 -0.03 0.00 1.43 0.00 0.00 31.44 33.15 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 -1.00 3.57 -0.06 3.44 -0.14 -1.25 -5.06 119.74 119.24 1h5o s LYS 16 Ca 0.00 -0.12 -0.23 0.00 -1.36 0.00 0.00 55.97 54.26 1h5o s LYS 16 Cb 0.00 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 1h5o s LYS 16 CO 0.00 0.21 0.68 0.42 -0.76 0.00 0.00 175.35 175.89 1h5o s ILE 17 N -2.14 5.03 -0.04 2.17 1.01 -1.26 -5.04 121.20 120.93 1h5o s ILE 17 Ca 0.42 1.40 -0.23 0.00 0.00 0.00 0.00 60.65 62.24 1h5o s ILE 17 Cb -0.10 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1h5o s ILE 17 CO 0.32 0.28 0.69 0.00 0.00 0.00 0.00 174.94 176.23 1h5o s LEU 19 N 0.54 1.86 0.62 0.00 1.98 -1.26 -2.59 118.68 119.83 1h5o s LEU 19 Ca 0.36 -0.56 -0.10 0.00 -2.89 0.00 0.00 54.13 50.94 1h5o s LEU 19 Cb -0.18 -1.28 -0.03 0.00 0.66 0.00 0.00 46.19 45.36 1h5o s LEU 19 CO 0.18 -0.04 1.02 -2.16 -1.89 0.00 0.00 176.35 173.46 1h5o s PRO 20 N 1.42 3.42 0.00 0.98 0.04 -1.26 -4.89 135.00 134.70 1h5o s PRO 20 Ca 0.05 0.62 0.30 0.00 0.04 0.00 0.00 61.00 62.00 1h5o s PRO 20 Cb -0.13 -2.10 1.37 0.00 0.04 0.00 0.00 34.50 33.68 1h5o s PRO 20 CO -0.11 -0.64 1.99 -0.35 0.04 0.00 0.00 177.00 177.93 1h5o n PRO 21 N -2.75 0.20 -0.06 0.56 -0.04 -1.07 -3.81 135.00 128.04 1h5o n PRO 21 Ca 0.06 -0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 1h5o n PRO 21 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1h5o n PRO 21 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1h5o h SER 22 N 0.00 0.71 -1.13 3.54 0.02 -1.94 -3.27 113.55 111.49 1h5o h SER 22 Ca 0.00 -0.55 -0.74 0.00 -0.84 0.00 0.00 61.79 59.66 1h5o h SER 22 Cb 0.40 -0.20 -0.12 0.00 0.14 0.00 0.00 62.40 62.61 1h5o h SER 22 CO 0.00 1.13 2.36 -0.24 -1.14 0.00 0.00 176.83 178.94 1h5o n SER 23 N -4.23 6.34 -4.16 3.07 2.88 -1.25 -4.89 113.62 111.38 1h5o n SER 23 Ca -0.06 -3.07 -0.33 0.00 -1.33 0.00 0.00 58.87 54.08 1h5o n SER 23 Cb 0.54 -1.45 -0.16 0.00 -0.75 0.00 0.00 64.21 62.40 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 0.89 3.36 0.12 -3.46 2.15 -1.24 -2.63 116.67 115.87 1h5o s ASP 24 Ca 0.47 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.88 1h5o s ASP 24 Cb 0.14 -1.53 -0.04 0.00 -0.30 0.00 0.00 42.92 41.19 1h5o s ASP 24 CO -0.04 -0.00 0.19 -0.36 -0.17 0.00 0.00 175.17 174.79 1h5o s PHE 25 N 1.32 3.34 0.00 -5.34 0.08 0.53 -5.02 117.98 112.90 1h5o s PHE 25 Ca 0.05 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.20 1h5o s PHE 25 Cb -0.13 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1h5o s PHE 25 CO -0.11 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 1h5o n GLY 26 N -0.15 0.66 3.54 4.36 0.00 -1.26 -2.76 105.19 109.57 1h5o n GLY 26 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 1.58 3.96 0.00 1.61 1.02 -1.26 -3.23 119.74 123.43 1h5o s LYS 27 Ca 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.91 1h5o s LYS 27 Cb 0.00 -5.35 0.00 0.00 -0.52 0.00 0.00 37.83 31.96 1h5o s LYS 27 CO 0.00 -2.08 0.00 -1.33 -0.92 0.00 0.00 175.35 171.02 1h5o n MET 28 N 7.53 0.00 -1.12 1.68 2.81 -1.26 -4.70 117.12 122.06 1h5o n MET 28 Ca 0.42 0.35 0.02 0.00 -1.81 0.00 0.00 57.70 56.69 1h5o n MET 28 Cb 0.46 -0.84 0.13 0.00 -0.71 0.00 0.00 33.22 32.25 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 -1.87 1.81 -3.19 7.83 2.03 -1.26 -4.81 116.55 117.09 1h5o n ASP 29 Ca 0.00 -3.24 -0.13 0.00 0.52 0.00 0.00 54.79 51.94 1h5o n ASP 29 Cb 0.00 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5o n ARG 31 N -0.56 -1.04 0.08 0.00 1.85 -1.26 -4.79 116.66 110.94 1h5o n ARG 31 Ca -0.01 -1.11 -0.13 0.00 -1.00 0.00 0.00 57.85 55.60 1h5o n ARG 31 Cb 0.61 -0.79 -0.08 0.00 -1.05 0.00 0.00 32.46 31.15 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 -1.59 -0.15 -0.01 2.89 -0.00 -2.00 -3.03 115.95 112.06 1h5o h TRP 32 Ca -0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 1h5o h TRP 32 Cb 0.67 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.88 1h5o h TRP 32 CO 0.00 0.05 0.00 0.54 -0.00 0.00 0.00 178.44 179.03 1h5o n ARG 33 N -5.08 1.03 -4.42 2.65 1.74 -1.26 -4.70 116.66 106.62 1h5o n ARG 33 Ca -0.08 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.70 1h5o n ARG 33 Cb 0.15 -1.18 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.99 2.17 0.09 -1.55 0.52 -1.14 -0.16 118.94 116.89 1h5o s TRP 34 Ca 0.17 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 55.87 1h5o s TRP 34 Cb 0.08 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1h5o s TRP 34 CO 0.13 0.54 0.09 -1.59 0.02 0.00 0.00 176.95 176.14 1h5o s LYS 35 N -3.04 0.81 0.14 4.98 -2.85 -0.38 -4.41 119.74 114.98 1h5o s LYS 35 Ca 0.23 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 54.05 1h5o s LYS 35 Cb -0.06 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1h5o s LYS 35 CO 0.11 -0.22 0.22 0.00 0.10 0.00 0.00 175.35 175.55 1h5o s LYS 38 N -3.01 0.90 0.11 0.00 2.20 -1.08 -3.61 119.74 115.25 1h5o s LYS 38 Ca -0.02 -1.22 -0.18 0.00 -0.36 0.00 0.00 55.97 54.19 1h5o s LYS 38 Cb 0.01 0.29 -0.06 0.00 -1.51 0.00 0.00 37.83 36.56 1h5o s LYS 38 CO -0.06 -0.27 1.67 1.57 -0.36 0.00 0.00 175.35 177.89 1h5o h LYS 39 N 2.82 0.40 0.00 4.03 2.10 -1.88 -3.42 116.57 120.62 1h5o h LYS 39 Ca -0.34 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1h5o h LYS 39 Cb 1.19 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1h5o h LYS 39 CO 0.57 0.41 0.00 0.41 -2.00 0.00 0.00 179.45 178.84 1h5o n GLY 40 N -0.78 -0.39 2.57 0.07 0.00 -1.26 -4.40 105.19 100.99 1h5o n GLY 40 Ca -0.02 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1h5o n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h5o n SER 41 N 0.00 -1.66 0.00 1.61 7.64 -1.26 -5.12 113.62 114.82 1h5o n SER 41 Ca 0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1h5o n SER 41 Cb 0.00 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64