#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 -0.74 0.05 2.98 1.79 -1.98 -1.16 116.57 117.50 1h5o h LYS 2 Ca 0.00 0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1h5o h LYS 2 Cb 0.00 0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1h5o h LYS 2 CO 0.00 -0.49 -0.40 0.37 -1.08 0.00 0.00 179.45 177.85 1h5o h GLN 3 N -0.78 0.18 0.00 3.15 4.15 -1.91 -3.39 115.11 116.52 1h5o h GLN 3 Ca -0.08 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 58.96 1h5o h GLN 3 Cb 0.59 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1h5o h GLN 3 CO 0.13 1.07 -0.56 0.00 -1.93 0.00 0.00 178.83 177.54 1h5o h HIS 5 N 0.00 0.00 -0.59 0.00 -0.00 -1.40 0.14 115.15 113.29 1h5o h HIS 5 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1h5o h HIS 5 Cb 1.03 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.39 1h5o h HIS 5 CO 0.00 0.23 0.28 0.87 -0.00 0.00 0.00 177.93 179.30 1h5o h LYS 6 N 0.00 0.50 0.03 5.26 1.57 -1.71 -2.91 116.57 119.31 1h5o h LYS 6 Ca -0.00 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1h5o h LYS 6 Cb 0.43 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1h5o h LYS 6 CO 0.03 0.33 -0.55 0.87 -0.57 0.00 0.00 179.45 179.56 1h5o h LYS 7 N 0.51 0.32 0.00 3.15 1.57 -1.58 -3.49 116.57 117.04 1h5o h LYS 7 Ca 0.28 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1h5o h LYS 7 Cb 0.25 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1h5o h LYS 7 CO -0.22 1.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1h5o n GLY 8 N 1.21 0.51 3.39 3.86 0.00 0.43 -5.05 105.19 109.55 1h5o n GLY 8 Ca -0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.11 -0.48 0.23 -0.02 0.00 -1.15 -3.54 107.32 102.25 1h5o s GLY 9 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.17 1h5o s GLY 9 CO 0.00 0.09 0.27 -1.58 0.00 0.00 0.00 173.10 171.88 1h5o s HIS 10 N -3.37 3.30 0.21 1.90 2.46 -1.11 -4.37 115.29 114.30 1h5o s HIS 10 Ca -0.00 -0.04 -0.30 0.00 0.47 0.00 0.00 55.06 55.19 1h5o s HIS 10 Cb -0.00 -1.51 -0.08 0.00 -0.13 0.00 0.00 32.58 30.86 1h5o s HIS 10 CO -0.09 0.49 0.96 0.00 -2.47 0.00 0.00 174.74 173.63 1h5o s PHE 12 N -0.87 0.86 0.42 0.00 0.08 0.12 -4.95 117.98 113.64 1h5o s PHE 12 Ca 0.43 -0.88 -0.26 0.00 0.12 0.00 0.00 56.93 56.34 1h5o s PHE 12 Cb -0.26 -0.50 -0.10 0.00 -0.57 0.00 0.00 43.02 41.59 1h5o s PHE 12 CO 0.32 -0.15 1.43 -2.30 -0.10 0.00 0.00 175.22 174.42 1h5o n PRO 13 N 0.10 2.35 -0.04 0.24 -0.02 -1.26 -0.73 135.00 135.63 1h5o n PRO 13 Ca -0.13 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1h5o n PRO 13 Cb 0.60 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.49 0.43 -0.06 -0.52 3.64 -1.28 -3.30 116.57 117.98 1h5o h LYS 14 Ca -0.50 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 58.59 1h5o h LYS 14 Cb 1.26 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1h5o h LYS 14 CO 0.62 0.91 0.05 1.05 -2.27 0.00 0.00 179.45 179.81 1h5o h GLU 15 N 0.02 0.00 -6.48 1.90 4.11 -1.92 -3.43 114.58 108.77 1h5o h GLU 15 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.94 1h5o h GLU 15 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1h5o h GLU 15 CO 0.07 0.00 -0.20 0.15 0.07 0.00 0.00 179.01 179.10 1h5o s LYS 16 N -4.95 3.51 0.02 1.06 1.02 -1.24 -5.05 119.74 114.10 1h5o s LYS 16 Ca -0.05 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 1h5o s LYS 16 Cb 0.17 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1h5o s LYS 16 CO 0.64 0.19 0.81 0.42 -0.92 0.00 0.00 175.35 176.49 1h5o s ILE 17 N -2.23 4.81 0.03 2.17 1.01 -1.26 -4.91 121.20 120.82 1h5o s ILE 17 Ca 0.40 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.56 1h5o s ILE 17 Cb -0.10 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 1h5o s ILE 17 CO 0.34 0.30 0.57 0.00 0.00 0.00 0.00 174.94 176.15 1h5o s LEU 19 N -0.67 2.74 0.57 0.00 1.98 -1.26 -2.59 118.68 119.45 1h5o s LEU 19 Ca 0.29 -0.62 -0.08 0.00 -2.89 0.00 0.00 54.13 50.84 1h5o s LEU 19 Cb -0.19 -1.63 -0.02 0.00 0.66 0.00 0.00 46.19 45.01 1h5o s LEU 19 CO 0.18 -0.05 0.91 -2.16 -1.89 0.00 0.00 176.35 173.34 1h5o s PRO 20 N 1.37 3.33 0.19 0.98 0.04 -1.26 -4.88 135.00 134.77 1h5o s PRO 20 Ca 0.04 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.32 1h5o s PRO 20 Cb -0.15 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.25 1h5o s PRO 20 CO -0.07 -0.51 1.63 -1.35 0.04 0.00 0.00 177.00 176.75 1h5o h PRO 21 N -0.11 1.01 -0.36 0.56 0.11 -1.92 -3.29 132.00 127.99 1h5o h PRO 21 Ca -0.46 -0.35 -0.11 0.00 0.11 0.00 0.00 66.00 65.20 1h5o h PRO 21 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1h5o h PRO 21 CO 0.62 1.03 -0.22 0.77 -0.21 0.00 0.00 178.00 179.98 1h5o h SER 22 N 0.91 0.72 -1.43 -2.05 0.02 -1.99 -3.33 113.55 106.40 1h5o h SER 22 Ca 0.15 -0.26 -0.71 0.00 -0.84 0.00 0.00 61.79 60.13 1h5o h SER 22 Cb 0.61 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 62.83 1h5o h SER 22 CO 0.04 0.93 1.87 -1.20 -1.14 0.00 0.00 176.83 177.33 1h5o n SER 23 N -4.12 5.01 -3.92 3.07 7.64 -1.24 -4.92 113.62 115.15 1h5o n SER 23 Ca 0.00 -2.96 -0.10 0.00 1.01 0.00 0.00 58.87 56.82 1h5o n SER 23 Cb 0.42 -1.64 -0.10 0.00 -1.01 0.00 0.00 64.21 61.88 1h5o n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1h5o s ASP 24 N 3.28 0.12 0.15 6.43 2.15 -1.25 -3.12 116.67 124.43 1h5o s ASP 24 Ca 0.47 -0.36 0.08 0.00 0.43 0.00 0.00 52.55 53.18 1h5o s ASP 24 Cb 0.02 0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 1h5o s ASP 24 CO 0.03 -0.37 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.12 1h5o s PHE 25 N -1.62 1.73 0.00 -5.34 0.08 0.47 -4.97 117.98 108.33 1h5o s PHE 25 Ca -0.13 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1h5o s PHE 25 Cb -0.07 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.50 1h5o s PHE 25 CO -0.00 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1h5o n GLY 26 N 0.37 1.11 3.56 4.36 0.00 -1.26 -2.63 105.19 110.69 1h5o n GLY 26 Ca -0.14 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 1.29 3.78 0.00 1.61 1.02 -1.26 -2.05 119.74 124.13 1h5o s LYS 27 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.41 1h5o s LYS 27 Cb 0.00 -5.40 0.00 0.00 -0.52 0.00 0.00 37.83 31.91 1h5o s LYS 27 CO 0.00 -2.19 0.00 -1.33 -0.92 0.00 0.00 175.35 170.91 1h5o n MET 28 N 8.42 0.00 -3.04 1.68 2.81 -1.26 -4.80 117.12 120.93 1h5o n MET 28 Ca 0.39 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.92 1h5o n MET 28 Cb 0.49 0.00 -0.02 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 5.62 -3.00 7.83 2.03 -1.26 -4.93 116.55 122.85 1h5o n ASP 29 Ca 0.00 -3.51 -0.16 0.00 0.52 0.00 0.00 54.79 51.64 1h5o n ASP 29 Cb 0.00 -0.99 -0.04 0.00 -0.72 0.00 0.00 41.12 39.37 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 -2.95 1.53 0.12 0.00 3.52 -1.26 -4.92 118.95 114.99 1h5o s ARG 31 Ca 0.11 0.14 -0.28 0.00 -0.13 0.00 0.00 55.73 55.57 1h5o s ARG 31 Cb 0.01 -1.90 -0.07 0.00 -1.56 0.00 0.00 34.95 31.43 1h5o s ARG 31 CO 0.07 -1.90 1.61 2.35 -0.81 0.00 0.00 175.30 176.63 1h5o h TRP 32 N -1.28 -0.89 -0.51 5.12 2.91 -2.02 -1.91 115.95 117.37 1h5o h TRP 32 Ca -0.48 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.46 1h5o h TRP 32 Cb 1.32 0.39 -0.07 0.00 -0.51 0.00 0.00 29.16 30.29 1h5o h TRP 32 CO 0.18 -0.42 0.14 0.54 -1.03 0.00 0.00 178.44 177.85 1h5o n ARG 33 N -5.42 3.29 -4.39 2.65 1.74 -1.26 -4.93 116.66 108.35 1h5o n ARG 33 Ca -0.06 -2.27 -0.24 0.00 -0.77 0.00 0.00 57.85 54.51 1h5o n ARG 33 Cb 0.33 -2.00 -0.09 0.00 -1.02 0.00 0.00 32.46 29.68 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 -2.32 2.47 0.31 -1.55 0.52 -0.72 -0.83 118.94 116.81 1h5o s TRP 34 Ca 0.40 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1h5o s TRP 34 Cb 0.32 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 1h5o s TRP 34 CO 0.11 0.67 0.13 -1.59 0.02 0.00 0.00 176.95 176.28 1h5o s LYS 35 N -3.52 1.59 0.16 4.98 -2.85 0.09 -4.41 119.74 115.77 1h5o s LYS 35 Ca 0.30 -1.90 0.02 0.00 -1.00 0.00 0.00 55.97 53.39 1h5o s LYS 35 Cb -0.06 -0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 1h5o s LYS 35 CO 0.17 -0.38 0.30 0.00 0.10 0.00 0.00 175.35 175.53 1h5o s LYS 38 N -1.58 0.82 0.00 0.00 2.20 -1.18 -2.77 119.74 117.23 1h5o s LYS 38 Ca -0.12 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1h5o s LYS 38 Cb -0.05 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.85 1h5o s LYS 38 CO 0.02 -0.39 0.00 1.63 -0.36 0.00 0.00 175.35 176.25 1h5o n LYS 39 N 5.07 0.00 -3.33 4.03 5.02 -0.38 -4.75 118.16 123.82 1h5o n LYS 39 Ca -0.09 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 1h5o n LYS 39 Cb 0.49 -0.39 -0.09 0.00 -0.02 0.00 0.00 35.03 35.02 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 1.77 2.17 3.16 0.72 0.00 -1.26 -4.89 105.19 106.86 1h5o n GLY 40 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 2.58 -6.63 0.00 1.61 7.64 -1.26 -5.15 113.62 112.41 1h5o n SER 41 Ca 0.28 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1h5o n SER 41 Cb 0.49 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64