#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 0.07 2.98 4.76 -1.26 -4.08 118.16 120.63 1h5o n LYS 2 Ca 0.00 0.24 -0.21 0.00 -2.87 0.00 0.00 58.31 55.47 1h5o n LYS 2 Cb 0.00 -0.71 -0.13 0.00 -1.84 0.00 0.00 35.03 32.36 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 0.59 0.00 1.97 4.15 -1.94 -3.34 115.11 116.54 1h5o h GLN 3 Ca 0.00 -0.75 -0.11 0.00 0.77 0.00 0.00 58.65 58.56 1h5o h GLN 3 Cb 0.00 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1h5o h GLN 3 CO 0.00 1.33 -0.54 0.00 -1.93 0.00 0.00 178.83 177.69 1h5o h HIS 5 N 0.00 0.00 -0.73 0.00 -0.00 -1.71 0.37 115.15 113.09 1h5o h HIS 5 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.46 1h5o h HIS 5 Cb 1.07 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.41 1h5o h HIS 5 CO 0.00 0.32 0.38 0.87 -0.00 0.00 0.00 177.93 179.50 1h5o h LYS 6 N 0.00 0.62 -0.01 5.26 1.57 -1.73 -2.58 116.57 119.71 1h5o h LYS 6 Ca -0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1h5o h LYS 6 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1h5o h LYS 6 CO 0.04 0.41 -0.09 0.87 -0.57 0.00 0.00 179.45 180.11 1h5o h LYS 7 N 0.64 0.08 0.00 3.15 6.56 -1.57 -3.49 116.57 121.93 1h5o h LYS 7 Ca 0.36 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1h5o h LYS 7 Cb 0.36 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1h5o h LYS 7 CO -0.26 0.80 0.00 0.41 -2.06 0.00 0.00 179.45 178.34 1h5o n GLY 8 N 0.92 1.02 3.54 3.86 0.00 0.12 -5.10 105.19 109.55 1h5o n GLY 8 Ca -0.09 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.27 0.20 -0.02 0.00 -1.22 -4.52 107.32 101.48 1h5o s GLY 9 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 44.72 44.83 1h5o s GLY 9 CO 0.00 -0.10 -0.23 -1.58 0.00 0.00 0.00 173.10 171.20 1h5o s HIS 10 N -3.84 2.22 0.21 1.90 2.46 -1.06 -4.66 115.29 112.52 1h5o s HIS 10 Ca 0.06 -0.37 -0.29 0.00 0.47 0.00 0.00 55.06 54.93 1h5o s HIS 10 Cb -0.02 -1.09 -0.08 0.00 -0.13 0.00 0.00 32.58 31.26 1h5o s HIS 10 CO -0.05 0.49 0.92 0.00 -2.47 0.00 0.00 174.74 173.64 1h5o s PHE 12 N -0.99 0.35 1.29 0.00 0.08 0.36 -4.97 117.98 114.10 1h5o s PHE 12 Ca 0.41 -0.81 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 1h5o s PHE 12 Cb -0.25 -0.24 0.32 0.00 -0.57 0.00 0.00 43.02 42.27 1h5o s PHE 12 CO 0.31 -0.41 1.00 -2.14 -0.10 0.00 0.00 175.22 173.87 1h5o s PRO 13 N -3.55 -1.91 -1.19 0.24 0.02 -1.26 -1.13 135.00 126.22 1h5o s PRO 13 Ca 0.03 0.30 -0.10 0.00 0.02 0.00 0.00 61.00 61.25 1h5o s PRO 13 Cb 0.05 -1.48 0.22 0.00 0.02 0.00 0.00 34.50 33.30 1h5o s PRO 13 CO -0.09 -4.24 1.51 1.17 -0.33 0.00 0.00 177.00 175.02 1h5o n LYS 14 N -5.20 3.67 0.00 5.54 4.81 -1.25 -4.10 118.16 121.63 1h5o n LYS 14 Ca 0.09 -4.00 0.00 0.00 -0.87 0.00 0.00 58.31 53.54 1h5o n LYS 14 Cb 0.58 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 3.80 0.00 -2.21 1.64 0.28 -1.26 -5.12 120.64 117.77 1h5o n GLU 15 Ca 0.33 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 57.07 1h5o n GLU 15 Cb 0.38 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.35 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 -0.64 1.90 -0.01 3.44 1.02 -1.26 -5.04 119.74 119.16 1h5o s LYS 16 Ca 0.00 -0.39 -0.22 0.00 0.02 0.00 0.00 55.97 55.38 1h5o s LYS 16 Cb 0.00 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1h5o s LYS 16 CO 0.00 -1.44 0.64 0.42 -0.92 0.00 0.00 175.35 174.05 1h5o s ILE 17 N -3.33 4.90 -0.49 2.17 1.01 -1.26 -5.03 121.20 119.18 1h5o s ILE 17 Ca 0.63 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 62.46 1h5o s ILE 17 Cb -0.09 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 38.46 1h5o s ILE 17 CO 0.46 0.38 0.49 0.00 0.00 0.00 0.00 174.94 176.27 1h5o s LEU 19 N 2.05 2.22 1.02 0.00 2.96 -1.26 -3.44 118.68 122.22 1h5o s LEU 19 Ca 0.08 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 1h5o s LEU 19 Cb -0.22 -1.44 0.20 0.00 0.50 0.00 0.00 46.19 45.23 1h5o s LEU 19 CO 0.09 0.20 1.07 -2.84 -1.32 0.00 0.00 176.35 173.55 1h5o s PRO 20 N 0.09 0.21 -1.23 0.98 0.02 -1.26 -4.69 135.00 129.13 1h5o s PRO 20 Ca -0.10 0.77 -0.11 0.00 0.02 0.00 0.00 61.00 61.58 1h5o s PRO 20 Cb -0.16 -1.69 0.18 0.00 0.02 0.00 0.00 34.50 32.86 1h5o s PRO 20 CO 0.06 -2.94 1.61 -0.35 -0.33 0.00 0.00 177.00 175.05 1h5o n PRO 21 N -4.36 3.56 0.05 5.54 -0.04 -1.22 -4.41 135.00 134.12 1h5o n PRO 21 Ca 0.05 -3.79 0.00 0.00 -0.04 0.00 0.00 63.50 59.72 1h5o n PRO 21 Cb 0.55 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1h5o n PRO 21 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h5o n SER 22 N 4.43 -0.07 -4.35 3.54 3.41 -1.26 -5.01 113.62 114.31 1h5o n SER 22 Ca 0.37 0.19 -0.45 0.00 -0.26 0.00 0.00 58.87 58.71 1h5o n SER 22 Cb 0.39 0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1h5o n SER 22 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1h5o s SER 23 N -4.36 7.21 -0.27 4.04 0.01 -1.25 -4.97 113.70 114.12 1h5o s SER 23 Ca 0.00 -3.40 -0.07 0.00 1.31 0.00 0.00 55.95 53.78 1h5o s SER 23 Cb 0.00 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1h5o s SER 23 CO 0.00 -0.36 0.08 -0.62 0.41 0.00 0.00 173.24 172.75 1h5o s ASP 24 N 1.55 5.16 0.21 2.44 2.15 -1.26 -1.64 116.67 125.28 1h5o s ASP 24 Ca 0.29 -0.38 -0.02 0.00 0.43 0.00 0.00 52.55 52.87 1h5o s ASP 24 Cb -0.10 -1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 40.56 1h5o s ASP 24 CO -0.08 -0.10 0.42 -0.36 -0.17 0.00 0.00 175.17 174.88 1h5o s PHE 25 N 1.58 3.48 0.00 -5.34 0.08 0.24 -5.02 117.98 113.00 1h5o s PHE 25 Ca 0.05 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1h5o s PHE 25 Cb -0.16 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1h5o s PHE 25 CO 0.03 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 1h5o n GLY 26 N -0.58 0.69 3.55 4.36 0.00 -1.26 -2.87 105.19 109.08 1h5o n GLY 26 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 1.39 2.96 0.00 1.61 1.02 -1.26 -3.47 119.74 121.99 1h5o s LYS 27 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1h5o s LYS 27 Cb 0.00 -4.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.01 1h5o s LYS 27 CO 0.00 -2.41 0.00 -1.33 -0.92 0.00 0.00 175.35 170.69 1h5o n MET 28 N 9.29 0.00 -1.50 1.68 2.81 -1.26 -4.91 117.12 123.23 1h5o n MET 28 Ca 0.11 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.67 1h5o n MET 28 Cb 0.50 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.08 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 0.00 7.20 -1.50 7.83 5.75 -1.26 -4.95 116.55 129.62 1h5o n ASP 29 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.99 1h5o n ASP 29 Cb 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 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 -0.55 0.17 -0.15 0.00 1.85 -1.26 -4.96 116.66 111.77 1h5o n ARG 31 Ca 0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 57.85 56.49 1h5o n ARG 31 Cb 0.00 -0.13 0.02 0.00 -1.05 0.00 0.00 32.46 31.30 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 -0.76 0.55 -0.40 2.89 -0.00 -1.99 -3.13 115.95 113.11 1h5o h TRP 32 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1h5o h TRP 32 Cb 0.15 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 1h5o h TRP 32 CO 0.00 0.33 0.00 0.54 -0.00 0.00 0.00 178.44 179.31 1h5o n ARG 33 N -4.79 3.24 -3.99 2.65 1.74 -1.26 -4.97 116.66 109.28 1h5o n ARG 33 Ca 0.02 -2.65 -0.25 0.00 -0.77 0.00 0.00 57.85 54.20 1h5o n ARG 33 Cb 0.04 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 29.71 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 -2.08 2.32 0.26 -1.55 0.52 -1.18 -3.84 118.94 113.39 1h5o s TRP 34 Ca 0.40 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.87 1h5o s TRP 34 Cb 0.28 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1h5o s TRP 34 CO 0.15 -0.05 0.12 0.15 0.02 0.00 0.00 176.95 177.34 1h5o s LYS 35 N -4.05 1.41 0.00 4.98 1.02 -0.28 -4.50 119.74 118.32 1h5o s LYS 35 Ca 0.38 -1.77 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1h5o s LYS 35 Cb 0.01 -0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.17 1h5o s LYS 35 CO 0.22 -0.35 -0.13 0.00 -0.92 0.00 0.00 175.35 174.17 1h5o s LYS 38 N -0.91 0.31 0.75 0.00 2.20 -0.65 -2.58 119.74 118.86 1h5o s LYS 38 Ca 0.07 -0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 1h5o s LYS 38 Cb -0.08 0.02 0.17 0.00 -1.51 0.00 0.00 37.83 36.43 1h5o s LYS 38 CO 0.01 -0.02 1.00 1.63 -0.36 0.00 0.00 175.35 177.61 1h5o n LYS 39 N 1.79 -1.04 0.00 4.03 5.02 -1.26 -3.90 118.16 122.80 1h5o n LYS 39 Ca -0.22 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.52 1h5o n LYS 39 Cb 0.56 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.63 -0.16 2.85 0.72 0.00 -1.26 -4.66 105.19 101.04 1h5o n GLY 40 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1h5o n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h5o s SER 41 N -4.12 0.38 0.00 1.61 0.15 -1.26 -5.09 113.70 105.37 1h5o s SER 41 Ca 0.00 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.15 1h5o s SER 41 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1h5o s SER 41 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83