#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 0.03 2.98 1.57 -1.97 -3.21 116.57 115.70 1h5o h LYS 2 Ca 0.00 0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1h5o h LYS 2 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1h5o h LYS 2 CO 0.00 -0.18 -0.61 0.37 -0.57 0.00 0.00 179.45 178.46 1h5o h GLN 3 N -1.03 0.37 -0.53 3.15 4.15 -1.90 -3.16 115.11 116.16 1h5o h GLN 3 Ca -0.03 -0.43 -0.09 0.00 0.77 0.00 0.00 58.65 58.87 1h5o h GLN 3 Cb 0.21 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1h5o h GLN 3 CO 0.05 1.11 -0.04 0.00 -1.93 0.00 0.00 178.83 178.02 1h5o h HIS 5 N 0.86 0.14 -0.48 0.00 -0.00 -1.67 0.75 115.15 114.75 1h5o h HIS 5 Ca 0.15 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1h5o h HIS 5 Cb 0.56 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 1h5o h HIS 5 CO 0.03 0.25 0.20 -0.22 -0.00 0.00 0.00 177.93 178.20 1h5o h LYS 6 N 0.13 0.71 -0.14 5.26 3.64 -1.41 -3.06 116.57 121.70 1h5o h LYS 6 Ca 0.03 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1h5o h LYS 6 Cb 0.29 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1h5o h LYS 6 CO 0.02 0.62 -0.20 0.87 -2.27 0.00 0.00 179.45 178.49 1h5o h LYS 7 N 0.63 0.38 0.00 1.90 1.57 -1.37 -3.49 116.57 116.18 1h5o h LYS 7 Ca 0.16 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h5o h LYS 7 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1h5o h LYS 7 CO -0.02 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 1h5o n GLY 8 N 0.32 1.15 0.00 3.86 0.00 0.23 -5.14 105.19 105.62 1h5o n GLY 8 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.88 3.18 -0.02 0.00 -1.11 -4.42 105.19 104.69 1h5o n GLY 9 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -5.69 -0.02 -0.14 1.61 5.65 -0.77 -4.66 115.29 111.27 1h5o s HIS 10 Ca 0.00 -0.08 -0.29 0.00 0.25 0.00 0.00 55.06 54.94 1h5o s HIS 10 Cb 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 32.58 31.40 1h5o s HIS 10 CO 0.00 -0.38 1.02 0.00 -0.65 0.00 0.00 174.74 174.73 1h5o s PHE 12 N 2.33 1.65 0.83 0.00 0.40 0.46 -4.99 117.98 118.67 1h5o s PHE 12 Ca 0.48 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 1h5o s PHE 12 Cb -0.18 -0.93 0.05 0.00 0.51 0.00 0.00 43.02 42.47 1h5o s PHE 12 CO 0.15 0.14 0.86 -2.30 0.70 0.00 0.00 175.22 174.77 1h5o n PRO 13 N 1.38 0.05 0.17 0.24 -0.02 -1.26 -0.75 135.00 134.80 1h5o n PRO 13 Ca -0.19 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.42 1h5o n PRO 13 Cb 0.54 -2.16 0.49 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.01 0.14 0.00 -0.52 2.10 -1.87 -3.29 116.57 112.13 1h5o h LYS 14 Ca -0.45 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.06 1h5o h LYS 14 Cb 1.30 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 1h5o h LYS 14 CO 0.42 0.22 -2.05 -0.85 -2.00 0.00 0.00 179.45 175.18 1h5o n GLU 15 N -4.39 0.67 -0.06 0.07 0.28 -1.26 -5.01 120.64 110.94 1h5o n GLU 15 Ca -0.01 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1h5o n GLU 15 Cb 0.19 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.51 1h5o n GLU 15 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1h5o n LYS 16 N -2.44 1.79 -2.70 3.44 5.02 -1.24 -5.01 118.16 117.01 1h5o n LYS 16 Ca -0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 1h5o n LYS 16 Cb 0.75 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.70 1h5o n LYS 16 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h5o s ILE 17 N 0.85 4.04 0.03 -0.18 1.01 -1.26 -4.96 121.20 120.73 1h5o s ILE 17 Ca 0.00 1.99 0.07 0.00 0.00 0.00 0.00 60.65 62.71 1h5o s ILE 17 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1h5o s ILE 17 CO 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 174.94 175.21 1h5o s LEU 19 N -1.35 0.19 0.67 0.00 1.98 -1.26 -2.23 118.68 116.68 1h5o s LEU 19 Ca 0.14 -0.45 -0.15 0.00 -2.89 0.00 0.00 54.13 50.78 1h5o s LEU 19 Cb -0.10 -0.04 0.00 0.00 0.66 0.00 0.00 46.19 46.71 1h5o s LEU 19 CO 0.05 -0.34 1.13 -2.16 -1.89 0.00 0.00 176.35 173.14 1h5o s PRO 20 N 2.20 2.68 0.13 0.98 0.04 -1.26 -2.68 135.00 137.09 1h5o s PRO 20 Ca 0.04 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 1h5o s PRO 20 Cb -0.16 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1h5o s PRO 20 CO -0.10 -1.36 1.28 -1.00 0.04 0.00 0.00 177.00 175.87 1h5o h PRO 21 N 0.05 0.23 -2.98 0.56 0.13 -1.83 -3.38 132.00 124.78 1h5o h PRO 21 Ca -0.47 -0.30 -0.77 0.00 -0.87 0.00 0.00 66.00 63.59 1h5o h PRO 21 Cb 1.26 0.10 -0.19 0.00 0.13 0.00 0.00 31.00 32.30 1h5o h PRO 21 CO 0.53 1.06 1.75 0.43 -0.23 0.00 0.00 178.00 181.55 1h5o n SER 22 N -3.60 6.47 -2.74 1.44 7.64 -1.26 -4.58 113.62 117.00 1h5o n SER 22 Ca -0.05 -3.26 -0.06 0.00 1.01 0.00 0.00 58.87 56.52 1h5o n SER 22 Cb 0.89 -1.36 0.04 0.00 -1.01 0.00 0.00 64.21 62.76 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 2.25 -2.76 -4.85 6.43 7.64 -1.26 -5.09 113.62 115.97 1h5o n SER 23 Ca 0.44 -2.74 -0.36 0.00 1.01 0.00 0.00 58.87 57.23 1h5o n SER 23 Cb 0.31 1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 65.01 1h5o n SER 23 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1h5o s ASP 24 N -0.33 6.17 0.16 6.43 1.01 -1.26 -2.64 116.67 126.21 1h5o s ASP 24 Ca 0.30 0.37 0.10 0.00 0.71 0.00 0.00 52.55 54.03 1h5o s ASP 24 Cb 0.13 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 1h5o s ASP 24 CO -0.14 0.36 -0.19 -0.36 0.21 0.00 0.00 175.17 175.04 1h5o s PHE 25 N -1.09 2.45 0.00 4.23 0.08 0.92 -4.97 117.98 119.60 1h5o s PHE 25 Ca 0.18 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1h5o s PHE 25 Cb -0.12 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1h5o s PHE 25 CO 0.08 0.45 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1h5o n GLY 26 N 0.46 0.09 3.54 4.36 0.00 -1.26 -2.65 105.19 109.73 1h5o n GLY 26 Ca -0.14 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 3.37 0.00 1.61 -2.85 -1.26 -2.64 119.74 117.97 1h5o s LYS 27 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1h5o s LYS 27 Cb 0.00 -4.72 0.00 0.00 -2.06 0.00 0.00 37.83 31.05 1h5o s LYS 27 CO 0.00 -2.13 0.00 -1.33 0.10 0.00 0.00 175.35 171.99 1h5o n MET 28 N 8.90 0.00 -3.04 1.78 2.81 -1.26 -4.92 117.12 121.39 1h5o n MET 28 Ca 0.16 0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.92 1h5o n MET 28 Cb 0.50 -0.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 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 -1.99 -0.30 0.00 7.83 -0.08 -1.26 -4.84 116.55 115.91 1h5o n ASP 29 Ca 0.00 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.08 1h5o n ASP 29 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h5o n ARG 31 N 0.00 0.12 0.34 0.00 1.85 -1.26 -4.98 116.66 112.72 1h5o n ARG 31 Ca 0.00 -0.45 -0.17 0.00 -1.00 0.00 0.00 57.85 56.23 1h5o n ARG 31 Cb 0.00 0.44 -0.09 0.00 -1.05 0.00 0.00 32.46 31.76 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 1.16 -0.75 -0.53 2.89 2.91 -2.02 -3.12 115.95 116.49 1h5o h TRP 32 Ca -0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1h5o h TRP 32 Cb 0.19 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1h5o h TRP 32 CO 0.00 -0.47 0.00 0.54 -1.03 0.00 0.00 178.44 177.48 1h5o n ARG 33 N -5.44 2.38 -4.02 2.65 1.74 -1.26 -4.93 116.66 107.78 1h5o n ARG 33 Ca -0.13 -1.97 -0.22 0.00 -0.77 0.00 0.00 57.85 54.76 1h5o n ARG 33 Cb 0.33 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.36 2.78 0.16 -1.55 0.52 -1.18 -3.12 118.94 115.18 1h5o s TRP 34 Ca 0.36 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.19 1h5o s TRP 34 Cb 0.20 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1h5o s TRP 34 CO 0.23 0.31 -0.12 -1.59 0.02 0.00 0.00 176.95 175.81 1h5o s LYS 35 N -3.88 1.12 0.38 4.98 -2.85 0.07 -4.52 119.74 115.03 1h5o s LYS 35 Ca 0.38 -1.46 -0.05 0.00 -1.00 0.00 0.00 55.97 53.84 1h5o s LYS 35 Cb -0.04 -0.77 -0.05 0.00 -2.06 0.00 0.00 37.83 34.92 1h5o s LYS 35 CO 0.24 0.11 0.66 0.00 0.10 0.00 0.00 175.35 176.46 1h5o s LYS 38 N -2.18 4.76 -0.04 0.00 2.47 -1.08 -1.85 119.74 121.82 1h5o s LYS 38 Ca 0.16 1.59 -0.24 0.00 -1.56 0.00 0.00 55.97 55.92 1h5o s LYS 38 Cb -0.04 -3.21 -0.22 0.00 -1.46 0.00 0.00 37.83 32.89 1h5o s LYS 38 CO 0.12 0.40 1.07 1.57 0.16 0.00 0.00 175.35 178.67 1h5o h LYS 39 N 3.96 0.19 0.00 4.03 -0.00 -1.77 -3.35 116.57 119.62 1h5o h LYS 39 Ca -0.46 -0.18 0.00 0.00 -0.00 0.00 0.00 60.65 60.01 1h5o h LYS 39 Cb 1.20 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1h5o h LYS 39 CO 0.67 0.89 0.00 0.41 -0.00 0.00 0.00 179.45 181.42 1h5o n GLY 40 N 0.93 0.51 1.87 0.07 0.00 -1.09 -4.65 105.19 102.82 1h5o n GLY 40 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 -0.52 0.00 1.61 3.41 -1.26 -5.01 113.62 111.86 1h5o n SER 41 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1h5o n SER 41 Cb 0.00 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49