#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5o s LYS 2 N 0.00 1.76 -0.01 2.98 1.02 -1.26 -5.07 119.74 119.16 1h5o s LYS 2 Ca 0.00 -1.95 -0.25 0.00 0.02 0.00 0.00 55.97 53.79 1h5o s LYS 2 Cb 0.00 -1.38 -0.18 0.00 -0.52 0.00 0.00 37.83 35.75 1h5o s LYS 2 CO 0.00 -0.01 1.22 0.37 -0.92 0.00 0.00 175.35 176.01 1h5o h GLN 3 N 2.03 -0.16 0.00 1.68 5.75 -1.96 -2.29 115.11 120.16 1h5o h GLN 3 Ca -0.42 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.01 1h5o h GLN 3 Cb 1.24 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 1h5o h GLN 3 CO 0.73 0.23 -0.39 0.00 -2.65 0.00 0.00 178.83 176.75 1h5o h HIS 5 N 0.00 0.02 -0.35 0.00 -0.00 -1.77 -0.56 115.15 112.49 1h5o h HIS 5 Ca -0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1h5o h HIS 5 Cb 0.71 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 1h5o h HIS 5 CO 0.00 0.45 -0.19 -0.22 -0.00 0.00 0.00 177.93 177.97 1h5o h LYS 6 N 0.01 0.66 0.00 5.26 3.64 -0.80 -3.28 116.57 122.06 1h5o h LYS 6 Ca -0.00 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1h5o h LYS 6 Cb 0.78 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1h5o h LYS 6 CO 0.06 0.81 -0.25 0.87 -2.27 0.00 0.00 179.45 178.66 1h5o h LYS 7 N 0.59 0.00 0.00 1.90 1.57 -1.48 -3.50 116.57 115.64 1h5o h LYS 7 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1h5o h LYS 7 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1h5o h LYS 7 CO 0.05 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.00 1h5o n GLY 8 N 1.62 0.48 3.77 3.86 0.00 -0.26 -5.14 105.19 109.53 1h5o n GLY 8 Ca -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.20 0.10 -0.02 0.00 -0.94 -4.92 107.32 101.34 1h5o s GLY 9 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.80 1h5o s GLY 9 CO 0.00 0.05 -0.11 0.30 0.00 0.00 0.00 173.10 173.34 1h5o s HIS 10 N -3.32 1.15 0.14 1.90 3.76 -1.24 -4.41 115.29 113.26 1h5o s HIS 10 Ca 0.12 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 1h5o s HIS 10 Cb -0.02 -0.62 -0.07 0.00 1.11 0.00 0.00 32.58 32.98 1h5o s HIS 10 CO 0.03 0.04 0.90 0.00 -0.85 0.00 0.00 174.74 174.86 1h5o s PHE 12 N -0.44 0.86 1.26 0.00 0.40 0.22 -4.93 117.98 115.36 1h5o s PHE 12 Ca 0.43 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 56.11 1h5o s PHE 12 Cb -0.23 -0.50 0.29 0.00 0.51 0.00 0.00 43.02 43.09 1h5o s PHE 12 CO 0.29 -0.03 0.77 -2.30 0.70 0.00 0.00 175.22 174.65 1h5o n PRO 13 N 1.45 -3.17 -0.04 0.24 -0.02 -1.26 -0.85 135.00 131.35 1h5o n PRO 13 Ca -0.22 -0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 60.20 1h5o n PRO 13 Cb 0.55 -1.97 -0.12 0.00 -0.02 0.00 0.00 33.50 31.93 1h5o n PRO 13 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1h5o h LYS 14 N -2.94 0.07 0.00 -0.52 3.64 -1.78 -3.36 116.57 111.68 1h5o h LYS 14 Ca -0.53 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 58.72 1h5o h LYS 14 Cb 1.30 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1h5o h LYS 14 CO 0.38 0.92 -0.21 1.05 -2.27 0.00 0.00 179.45 179.32 1h5o h GLU 15 N -0.73 0.00 -6.31 1.90 4.11 -1.93 -3.43 114.58 108.19 1h5o h GLU 15 Ca -0.02 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.86 1h5o h GLU 15 Cb 0.97 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 1h5o h GLU 15 CO 0.03 0.21 0.09 0.15 0.07 0.00 0.00 179.01 179.56 1h5o s LYS 16 N -4.55 4.41 -0.17 1.06 -0.14 -1.26 -5.04 119.74 114.06 1h5o s LYS 16 Ca -0.04 0.95 -0.09 0.00 -1.36 0.00 0.00 55.97 55.44 1h5o s LYS 16 Cb 0.15 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 1h5o s LYS 16 CO 0.70 0.47 0.12 0.42 -0.76 0.00 0.00 175.35 176.30 1h5o s ILE 17 N -0.65 5.36 0.06 2.17 1.01 -1.26 -4.77 121.20 123.11 1h5o s ILE 17 Ca 0.34 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1h5o s ILE 17 Cb -0.21 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1h5o s ILE 17 CO 0.22 0.51 0.15 0.00 0.00 0.00 0.00 174.94 175.81 1h5o s LEU 19 N -2.38 2.34 0.77 0.00 2.96 -1.26 -3.31 118.68 117.80 1h5o s LEU 19 Ca 0.32 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1h5o s LEU 19 Cb -0.13 -1.48 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1h5o s LEU 19 CO 0.24 0.18 1.09 -2.16 -1.32 0.00 0.00 176.35 174.38 1h5o s PRO 20 N 0.24 2.27 0.03 0.98 0.04 -1.26 -4.86 135.00 132.44 1h5o s PRO 20 Ca -0.13 1.09 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1h5o s PRO 20 Cb -0.16 -1.90 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1h5o s PRO 20 CO 0.07 -1.61 0.95 -1.00 0.04 0.00 0.00 177.00 175.44 1h5o h PRO 21 N -1.10 0.02 -2.13 0.56 0.13 -1.98 -3.34 132.00 124.16 1h5o h PRO 21 Ca -0.44 -0.04 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1h5o h PRO 21 Cb 1.23 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 1h5o h PRO 21 CO 0.53 0.78 0.95 0.43 -0.23 0.00 0.00 178.00 180.45 1h5o n SER 22 N -3.22 7.06 -3.05 1.44 7.64 -1.26 -4.65 113.62 117.58 1h5o n SER 22 Ca -0.10 -3.38 -0.15 0.00 1.01 0.00 0.00 58.87 56.26 1h5o n SER 22 Cb 1.00 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.63 -1.89 -3.50 6.43 7.64 -1.25 -5.13 113.62 116.55 1h5o n SER 23 Ca 0.52 -2.73 -0.12 0.00 1.01 0.00 0.00 58.87 57.55 1h5o n SER 23 Cb 0.40 0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 64.20 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 0.07 -0.47 0.43 6.43 1.47 -1.26 -3.01 116.67 120.32 1h5o s ASP 24 Ca 0.32 -0.03 0.08 0.00 1.18 0.00 0.00 52.55 54.10 1h5o s ASP 24 Cb 0.06 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 43.20 1h5o s ASP 24 CO -0.14 -0.89 0.58 -0.36 0.68 0.00 0.00 175.17 175.04 1h5o s PHE 25 N -3.49 2.81 0.00 2.11 0.08 0.15 -4.96 117.98 114.68 1h5o s PHE 25 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1h5o s PHE 25 Cb -0.00 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1h5o s PHE 25 CO -0.10 -0.45 0.00 0.41 -0.10 0.00 0.00 175.22 174.98 1h5o n GLY 26 N -1.88 0.95 3.51 4.36 0.00 -1.26 -2.63 105.19 108.23 1h5o n GLY 26 Ca 0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 1.77 3.74 0.00 1.61 3.01 -1.26 -2.84 119.74 125.76 1h5o s LYS 27 Ca 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 55.97 53.24 1h5o s LYS 27 Cb 0.00 -5.18 0.00 0.00 -1.01 0.00 0.00 37.83 31.64 1h5o s LYS 27 CO 0.00 -1.99 0.00 -1.33 0.51 0.00 0.00 175.35 172.54 1h5o n MET 28 N 7.46 0.00 -0.05 1.68 2.81 -1.26 -4.82 117.12 122.94 1h5o n MET 28 Ca 0.33 0.14 0.01 0.00 -1.81 0.00 0.00 57.70 56.37 1h5o n MET 28 Cb 0.48 -0.57 0.02 0.00 -0.71 0.00 0.00 33.22 32.43 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 -1.24 1.17 0.00 7.83 5.68 -1.26 -4.83 116.55 123.90 1h5o n ASP 29 Ca 0.00 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1h5o n ASP 29 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h5o n ARG 31 N 0.00 -1.37 -0.01 0.00 1.85 -1.26 -4.95 116.66 110.91 1h5o n ARG 31 Ca 0.00 -1.83 -0.12 0.00 -1.00 0.00 0.00 57.85 54.90 1h5o n ARG 31 Cb 0.00 -1.27 -0.07 0.00 -1.05 0.00 0.00 32.46 30.07 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 -1.80 0.11 -0.34 2.89 2.91 -2.00 -3.08 115.95 114.64 1h5o h TRP 32 Ca -0.39 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1h5o h TRP 32 Cb 1.08 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.70 1h5o h TRP 32 CO 0.00 0.25 0.00 0.54 -1.03 0.00 0.00 178.44 178.20 1h5o n ARG 33 N -4.94 3.03 -4.29 2.65 1.74 -1.26 -4.83 116.66 108.77 1h5o n ARG 33 Ca -0.06 -1.74 -0.26 0.00 -0.77 0.00 0.00 57.85 55.02 1h5o n ARG 33 Cb 0.12 -1.85 -0.09 0.00 -1.02 0.00 0.00 32.46 29.62 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 -1.92 2.66 0.09 -1.55 0.52 -1.17 -2.14 118.94 115.44 1h5o s TRP 34 Ca 0.30 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.23 1h5o s TRP 34 Cb 0.22 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.25 1h5o s TRP 34 CO 0.10 0.55 -0.08 -1.59 0.02 0.00 0.00 176.95 175.96 1h5o s LYS 35 N -3.10 0.79 -0.44 4.98 -2.85 -0.03 -4.50 119.74 114.59 1h5o s LYS 35 Ca 0.27 -1.20 -0.16 0.00 -1.00 0.00 0.00 55.97 53.88 1h5o s LYS 35 Cb -0.08 -0.30 0.04 0.00 -2.06 0.00 0.00 37.83 35.43 1h5o s LYS 35 CO 0.17 0.02 0.41 0.00 0.10 0.00 0.00 175.35 176.04 1h5o s LYS 38 N -2.39 0.05 -0.02 0.00 2.20 -1.16 -3.70 119.74 114.72 1h5o s LYS 38 Ca 0.36 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1h5o s LYS 38 Cb -0.13 -0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1h5o s LYS 38 CO 0.24 -0.05 -0.03 1.63 -0.36 0.00 0.00 175.35 176.78 1h5o n LYS 39 N 3.33 0.05 0.00 4.03 5.02 -0.26 -4.51 118.16 125.82 1h5o n LYS 39 Ca -0.16 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1h5o n LYS 39 Cb 0.57 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 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 -2.24 2.39 0.72 0.00 -1.26 -4.90 105.19 101.54 1h5o n GLY 40 Ca -0.01 0.73 -0.39 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.23 8.38 0.00 1.61 7.64 -1.26 -5.21 113.62 123.55 1h5o n SER 41 Ca 0.00 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1h5o n SER 41 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64