#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 3.00 -1.26 -5.04 118.16 117.80 1h5o n LYS 2 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1h5o n LYS 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1h5o h GLN 3 N 0.00 -0.04 0.00 1.64 4.15 -1.92 -3.34 115.11 115.60 1h5o h GLN 3 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1h5o h GLN 3 Cb 0.00 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1h5o h GLN 3 CO 0.00 0.40 -0.14 0.00 -1.93 0.00 0.00 178.83 177.17 1h5o h HIS 5 N 0.00 0.00 0.01 0.00 -0.00 -1.88 0.72 115.15 114.01 1h5o h HIS 5 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1h5o h HIS 5 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1h5o h HIS 5 CO 0.00 0.43 -0.05 0.87 -0.00 0.00 0.00 177.93 179.18 1h5o h LYS 6 N 0.00 -0.10 -0.22 5.26 1.57 -1.52 -2.86 116.57 118.70 1h5o h LYS 6 Ca -0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1h5o h LYS 6 Cb 0.79 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1h5o h LYS 6 CO 0.06 -0.06 0.07 0.87 -0.57 0.00 0.00 179.45 179.81 1h5o h LYS 7 N -0.10 0.34 0.00 3.15 1.79 -1.58 -3.48 116.57 116.68 1h5o h LYS 7 Ca 0.02 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1h5o h LYS 7 Cb 0.12 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1h5o h LYS 7 CO -0.05 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.16 1h5o n GLY 8 N -0.61 0.72 0.00 3.86 0.00 0.23 -5.11 105.19 104.28 1h5o n GLY 8 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 5.56 3.26 -0.02 0.00 -1.10 -4.97 105.19 107.93 1h5o n GLY 9 Ca 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 1.24 -0.25 -0.38 1.61 2.46 -1.22 -4.81 115.29 113.94 1h5o s HIS 10 Ca 0.00 0.43 -0.28 0.00 0.47 0.00 0.00 55.06 55.67 1h5o s HIS 10 Cb 0.00 0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.60 1h5o s HIS 10 CO 0.00 -0.38 1.06 0.00 -2.47 0.00 0.00 174.74 172.95 1h5o s PHE 12 N 3.88 1.86 0.86 0.00 0.08 -0.63 -4.98 117.98 119.06 1h5o s PHE 12 Ca 0.45 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 1h5o s PHE 12 Cb -0.10 -0.88 0.10 0.00 -0.57 0.00 0.00 43.02 41.56 1h5o s PHE 12 CO 0.22 0.40 1.07 -2.30 -0.10 0.00 0.00 175.22 174.51 1h5o n PRO 13 N -0.09 -0.12 0.25 0.24 -0.02 -1.26 -0.60 135.00 133.39 1h5o n PRO 13 Ca -0.10 0.04 0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1h5o n PRO 13 Cb 0.59 -2.33 0.63 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.36 0.00 0.00 -0.52 2.10 -1.87 -2.98 116.57 111.94 1h5o h LYS 14 Ca -0.45 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.03 1h5o h LYS 14 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1h5o h LYS 14 CO 0.43 0.13 -0.80 1.05 -2.00 0.00 0.00 179.45 178.25 1h5o h GLU 15 N 0.00 0.03 -7.19 0.07 4.11 -1.91 -3.47 114.58 106.22 1h5o h GLU 15 Ca -0.00 -0.03 -0.49 0.00 0.07 0.00 0.00 59.36 58.91 1h5o h GLU 15 Cb 0.26 0.01 0.06 0.00 0.50 0.00 0.00 28.75 29.58 1h5o h GLU 15 CO 0.02 0.82 0.38 0.15 0.07 0.00 0.00 179.01 180.44 1h5o s LYS 16 N -3.20 3.36 -0.12 1.06 -0.14 -1.13 -4.95 119.74 114.63 1h5o s LYS 16 Ca -0.01 1.20 -0.29 0.00 -1.36 0.00 0.00 55.97 55.51 1h5o s LYS 16 Cb 0.11 -2.04 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1h5o s LYS 16 CO 0.79 -0.78 1.04 0.42 -0.76 0.00 0.00 175.35 176.06 1h5o s ILE 17 N -2.44 4.71 -0.03 2.17 1.01 -1.26 -4.95 121.20 120.41 1h5o s ILE 17 Ca 0.64 1.99 -0.12 0.00 0.00 0.00 0.00 60.65 63.16 1h5o s ILE 17 Cb -0.16 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1h5o s ILE 17 CO 0.36 -0.03 0.32 0.00 0.00 0.00 0.00 174.94 175.60 1h5o s LEU 19 N -1.15 2.10 0.82 0.00 1.98 -1.26 -2.25 118.68 118.93 1h5o s LEU 19 Ca 0.22 -0.66 -0.12 0.00 -2.89 0.00 0.00 54.13 50.68 1h5o s LEU 19 Cb -0.15 -1.40 0.08 0.00 0.66 0.00 0.00 46.19 45.38 1h5o s LEU 19 CO 0.11 -0.03 1.12 -2.16 -1.89 0.00 0.00 176.35 173.50 1h5o s PRO 20 N 1.33 1.88 0.17 0.98 0.04 -1.26 -4.80 135.00 133.34 1h5o s PRO 20 Ca 0.04 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 61.39 1h5o s PRO 20 Cb -0.13 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.62 1h5o s PRO 20 CO -0.12 -1.72 1.66 -1.35 0.04 0.00 0.00 177.00 175.51 1h5o h PRO 21 N -1.16 0.01 -2.36 0.56 0.11 -1.87 -2.55 132.00 124.74 1h5o h PRO 21 Ca -0.48 -0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.94 1h5o h PRO 21 Cb 1.29 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.23 1h5o h PRO 21 CO 0.61 0.01 1.58 -1.13 -0.21 0.00 0.00 178.00 178.86 1h5o n SER 22 N -5.31 7.50 -3.07 -2.05 3.41 -1.26 -4.54 113.62 108.29 1h5o n SER 22 Ca 0.03 -3.29 -0.20 0.00 -0.26 0.00 0.00 58.87 55.15 1h5o n SER 22 Cb 0.24 -1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 62.87 1h5o n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1h5o n SER 23 N 1.06 -0.64 -3.89 4.04 7.64 -0.96 -5.05 113.62 115.81 1h5o n SER 23 Ca 0.56 -2.86 -0.11 0.00 1.01 0.00 0.00 58.87 57.47 1h5o n SER 23 Cb 0.33 0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.33 0.08 0.46 6.43 1.47 -1.26 -3.03 116.67 119.49 1h5o s ASP 24 Ca 0.34 -0.32 0.06 0.00 1.18 0.00 0.00 52.55 53.82 1h5o s ASP 24 Cb 0.19 0.21 0.02 0.00 -0.34 0.00 0.00 42.92 42.99 1h5o s ASP 24 CO -0.15 -0.41 0.63 -0.36 0.68 0.00 0.00 175.17 175.57 1h5o s PHE 25 N -1.75 2.79 0.00 2.11 0.08 0.88 -4.93 117.98 117.15 1h5o s PHE 25 Ca -0.12 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1h5o s PHE 25 Cb -0.06 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1h5o s PHE 25 CO -0.00 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 1h5o n GLY 26 N -2.00 0.94 3.58 4.36 0.00 -1.26 -2.60 105.19 108.20 1h5o n GLY 26 Ca 0.08 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 0.25 3.80 0.00 1.61 -2.85 -1.25 -2.56 119.74 118.74 1h5o s LYS 27 Ca 0.00 -1.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.21 1h5o s LYS 27 Cb 0.00 -5.48 0.00 0.00 -2.06 0.00 0.00 37.83 30.29 1h5o s LYS 27 CO 0.00 -2.38 0.00 -1.33 0.10 0.00 0.00 175.35 171.74 1h5o n MET 28 N 8.49 0.00 -2.22 1.78 2.81 -1.26 -4.67 117.12 122.05 1h5o n MET 28 Ca 0.46 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.94 1h5o n MET 28 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 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 6.89 -4.15 7.83 2.03 -1.26 -4.92 116.55 122.97 1h5o n ASP 29 Ca 0.00 -3.19 -0.11 0.00 0.52 0.00 0.00 54.79 52.01 1h5o n ASP 29 Cb 0.00 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 38.93 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5o s ARG 31 N -4.12 0.69 0.21 0.00 3.52 -1.26 -4.87 118.95 113.12 1h5o s ARG 31 Ca 0.34 0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 56.65 1h5o s ARG 31 Cb 0.05 -1.74 0.31 0.00 -1.56 0.00 0.00 34.95 32.01 1h5o s ARG 31 CO 0.11 -2.63 1.70 2.35 -0.81 0.00 0.00 175.30 176.02 1h5o h TRP 32 N -1.83 0.18 -0.51 5.12 2.91 -1.99 -1.58 115.95 118.25 1h5o h TRP 32 Ca -0.52 0.04 -0.24 0.00 1.13 0.00 0.00 58.89 59.30 1h5o h TRP 32 Cb 1.30 0.01 -0.14 0.00 -0.51 0.00 0.00 29.16 29.82 1h5o h TRP 32 CO 0.37 -0.05 0.12 0.54 -1.03 0.00 0.00 178.44 178.39 1h5o n ARG 33 N -5.15 2.20 -3.97 2.65 1.74 -1.26 -4.90 116.66 107.97 1h5o n ARG 33 Ca 0.09 -3.10 -0.23 0.00 -0.77 0.00 0.00 57.85 53.84 1h5o n ARG 33 Cb 0.34 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.19 2.66 0.04 -1.55 0.52 -0.60 -3.31 118.94 113.51 1h5o s TRP 34 Ca 0.48 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 56.11 1h5o s TRP 34 Cb 0.42 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.77 1h5o s TRP 34 CO 0.04 0.14 -0.08 -1.59 0.02 0.00 0.00 176.95 175.48 1h5o s LYS 35 N -3.95 0.55 -0.35 4.98 -2.85 0.23 -3.95 119.74 114.40 1h5o s LYS 35 Ca 0.42 -0.73 -0.21 0.00 -1.00 0.00 0.00 55.97 54.45 1h5o s LYS 35 Cb 0.01 -0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1h5o s LYS 35 CO 0.24 0.07 0.69 0.00 0.10 0.00 0.00 175.35 176.45 1h5o s LYS 38 N 1.49 0.67 0.95 0.00 2.47 -1.17 -3.38 119.74 120.78 1h5o s LYS 38 Ca 0.39 1.17 -0.14 0.00 -1.56 0.00 0.00 55.97 55.83 1h5o s LYS 38 Cb -0.17 0.14 0.16 0.00 -1.46 0.00 0.00 37.83 36.50 1h5o s LYS 38 CO 0.16 -0.14 1.17 0.15 0.16 0.00 0.00 175.35 176.85 1h5o s LYS 39 N 1.62 0.83 -0.09 4.03 1.02 -1.25 -4.15 119.74 121.75 1h5o s LYS 39 Ca -0.10 0.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 1h5o s LYS 39 Cb -0.05 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1h5o s LYS 39 CO -0.19 -2.38 -0.04 0.78 -0.92 0.00 0.00 175.35 172.60 1h5o h GLY 40 N -1.62 0.00 -6.86 -3.33 0.00 -1.97 -3.38 103.07 85.91 1h5o h GLY 40 Ca -0.48 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.09 1h5o h GLY 40 CO 0.55 0.00 1.69 -1.14 0.00 0.00 0.00 176.54 177.64 1h5o n SER 41 N -4.19 5.26 0.00 0.19 3.41 -1.26 -5.26 113.62 111.77 1h5o n SER 41 Ca -0.02 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 1h5o n SER 41 Cb 0.06 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49