#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnb s PRO 2 N 0.00 4.43 0.03 -1.09 0.04 -1.26 -4.94 135.00 132.22 1pnb s PRO 2 Ca 0.00 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1pnb s PRO 2 Cb 0.00 -3.39 -0.33 0.00 0.04 0.00 0.00 34.50 30.82 1pnb s PRO 2 CO 0.00 -0.26 1.03 0.37 0.04 0.00 0.00 177.00 178.18 1pnb h GLN 3 N 6.91 0.55 -0.90 4.56 5.75 -2.05 -3.06 115.11 126.87 1pnb h GLN 3 Ca -0.40 -0.85 0.08 0.00 -0.15 0.00 0.00 58.65 57.32 1pnb h GLN 3 Cb 1.21 0.30 -0.07 0.00 1.07 0.00 0.00 27.48 29.99 1pnb h GLN 3 CO 0.81 1.40 0.56 0.87 -2.65 0.00 0.00 178.83 179.82 1pnb h LYS 4 N 0.13 0.95 -0.42 1.69 1.79 -1.98 0.62 116.57 119.37 1pnb h LYS 4 Ca -0.22 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1pnb h LYS 4 Cb 2.01 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 32.42 1pnb h LYS 4 CO 0.25 0.63 0.25 0.00 -1.08 0.00 0.00 179.45 179.50 1pnb h GLN 6 N 0.55 0.13 0.31 0.00 4.20 -1.00 -2.70 115.11 116.60 1pnb h GLN 6 Ca 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1pnb h GLN 6 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1pnb h GLN 6 CO -0.03 0.24 -0.15 0.00 -0.67 0.00 0.00 178.83 178.23 1pnb h ARG 7 N -0.01 -0.40 -0.98 1.46 2.47 0.48 -2.89 114.38 114.52 1pnb h ARG 7 Ca 0.03 0.03 0.26 0.00 -1.26 0.00 0.00 59.98 59.03 1pnb h ARG 7 Cb 0.16 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 28.38 1pnb h ARG 7 CO -0.00 -0.17 -0.02 0.39 0.56 0.00 0.00 179.97 180.73 1pnb n GLU 8 N -5.21 -0.08 0.13 0.04 1.02 0.42 0.25 120.64 117.22 1pnb n GLU 8 Ca -0.10 1.47 -0.09 0.00 -0.02 0.00 0.00 57.16 58.43 1pnb n GLU 8 Cb 0.22 -2.32 -0.05 0.00 -0.02 0.00 0.00 31.44 29.28 1pnb n GLU 8 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1pnb h PHE 9 N 0.00 -0.69 -0.86 -0.32 3.04 -1.27 -2.77 116.94 114.07 1pnb h PHE 9 Ca 0.57 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.52 1pnb h PHE 9 Cb 1.15 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 39.89 1pnb h PHE 9 CO -0.53 -0.32 0.48 0.37 -2.02 0.00 0.00 178.31 176.29 1pnb h GLN 10 N -0.47 1.19 -0.91 1.11 4.15 -0.86 -2.51 115.11 116.81 1pnb h GLN 10 Ca -0.03 -0.13 0.34 0.00 0.77 0.00 0.00 58.65 59.60 1pnb h GLN 10 Cb 0.41 -0.24 -0.17 0.00 0.21 0.00 0.00 27.48 27.70 1pnb h GLN 10 CO -0.05 0.86 0.33 0.00 -1.93 0.00 0.00 178.83 178.04 1pnb n GLN 11 N -4.34 -0.06 0.00 1.69 10.64 0.70 -3.51 117.38 122.50 1pnb n GLN 11 Ca 0.09 1.29 0.00 0.00 -1.83 0.00 0.00 57.00 56.55 1pnb n GLN 11 Cb 0.09 -2.22 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 1pnb n GLN 11 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1pnb n GLU 12 N -5.15 0.00 0.00 2.61 -0.58 -0.95 -5.06 120.64 111.51 1pnb n GLU 12 Ca 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1pnb n GLU 12 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.88 1pnb n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pnb n GLN 13 N 0.00 0.00 -0.18 3.49 6.02 -1.17 -5.04 117.38 120.50 1pnb n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pnb n GLN 13 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1pnb n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1pnb n HIS 14 N 0.00 0.00 -0.77 1.08 8.25 -1.22 -4.51 115.22 118.04 1pnb n HIS 14 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1pnb n HIS 14 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1pnb n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1pnb n LEU 15 N 0.01 -3.38 -0.07 2.41 -0.00 -1.26 -4.82 117.00 109.89 1pnb n LEU 15 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 56.01 56.19 1pnb n LEU 15 Cb 0.00 -0.55 -0.09 0.00 -0.00 0.00 0.00 43.42 42.77 1pnb n LEU 15 CO 0.00 -3.75 0.23 0.03 -0.00 0.00 0.00 177.39 173.90 1pnb h ARG 16 N -0.36 0.00 -1.56 1.47 3.08 -2.01 -3.26 114.38 111.74 1pnb h ARG 16 Ca -0.29 0.00 0.45 0.00 0.07 0.00 0.00 59.98 60.21 1pnb h ARG 16 Cb 0.95 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.93 1pnb h ARG 16 CO 0.22 0.71 1.28 0.00 -1.07 0.00 0.00 179.97 181.12 1pnb n ALA 17 N -2.71 1.50 0.05 0.04 0.00 -1.26 0.53 120.51 118.65 1pnb n ALA 17 Ca -0.08 0.51 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1pnb n ALA 17 Cb 0.35 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1pnb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnb h GLN 19 N 0.39 0.16 -0.25 0.00 4.20 1.30 1.97 115.11 122.88 1pnb h GLN 19 Ca -0.14 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1pnb h GLN 19 Cb 1.72 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 1pnb h GLN 19 CO 0.21 0.11 0.05 1.96 -0.67 0.00 0.00 178.83 180.49 1pnb h GLN 20 N 0.17 0.35 0.00 1.46 7.50 -1.53 0.14 115.11 123.20 1pnb h GLN 20 Ca 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.74 1pnb h GLN 20 Cb 1.41 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.87 1pnb h GLN 20 CO -0.71 0.33 0.00 1.87 -1.50 0.00 0.00 178.83 178.82 1pnb n TRP 21 N -4.39 0.00 -0.04 2.96 -0.00 0.67 0.20 117.44 116.83 1pnb n TRP 21 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.40 1pnb n TRP 21 Cb 0.16 -0.09 -0.10 0.00 -0.00 0.00 0.00 31.31 31.29 1pnb n TRP 21 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1pnb h ILE 22 N 0.00 1.32 -0.90 5.87 -0.00 -1.65 -3.28 117.51 118.87 1pnb h ILE 22 Ca 0.00 -1.85 0.17 0.00 -0.00 0.00 0.00 64.86 63.18 1pnb h ILE 22 Cb 0.00 2.44 -0.16 0.00 -0.00 0.00 0.00 36.82 39.09 1pnb h ILE 22 CO 0.00 0.42 -0.26 -1.14 -0.00 0.00 0.00 178.15 177.17 1pnb n ARG 23 N -4.70 -0.12 -0.27 2.19 0.63 0.47 0.23 116.66 115.09 1pnb n ARG 23 Ca -0.08 1.40 0.04 0.00 -0.92 0.00 0.00 57.85 58.30 1pnb n ARG 23 Cb 0.35 -2.09 0.18 0.00 0.45 0.00 0.00 32.46 31.35 1pnb n ARG 23 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1pnb h GLN 24 N 0.00 0.57 0.06 -0.14 -0.00 0.21 -0.54 115.11 115.28 1pnb h GLN 24 Ca 0.40 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1pnb h GLN 24 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1pnb h GLN 24 CO -0.92 0.38 -0.03 0.37 0.00 0.00 0.00 178.83 178.63 1pnb h GLN 25 N 0.59 -0.08 -0.98 1.69 4.15 0.28 -3.28 115.11 117.47 1pnb h GLN 25 Ca 0.41 0.01 0.26 0.00 0.77 0.00 0.00 58.65 60.09 1pnb h GLN 25 Cb 0.52 0.02 -0.18 0.00 0.21 0.00 0.00 27.48 28.05 1pnb h GLN 25 CO -0.33 0.51 -0.02 1.28 -1.93 0.00 0.00 178.83 178.34 1pnb n LEU 26 N -4.79 -0.15 -4.68 -2.39 4.77 0.48 -4.06 117.00 106.19 1pnb n LEU 26 Ca -0.08 1.67 -0.42 0.00 -0.03 0.00 0.00 56.01 57.15 1pnb n LEU 26 Cb 0.31 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1pnb n LEU 26 CO 0.27 -1.68 1.17 0.00 -1.33 0.00 0.00 177.39 175.81 1pnb s ALA 27 N -6.02 3.60 -0.47 -1.18 0.00 -0.24 -4.94 121.76 112.51 1pnb s ALA 27 Ca -0.13 0.85 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1pnb s ALA 27 Cb 0.29 -3.63 0.18 0.00 0.00 0.00 0.00 23.12 19.96 1pnb s ALA 27 CO 0.77 -1.04 0.67 0.20 0.00 0.00 0.00 175.76 176.35 1pnb s GLY 28 N 2.19 -1.13 0.11 0.00 0.00 -1.26 -4.92 107.32 102.30 1pnb s GLY 28 Ca 0.65 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.03 1pnb s GLY 28 CO 0.26 3.58 0.31 -0.56 0.00 0.00 0.00 173.10 176.69 1pnb s SER 29 N 1.18 6.45 0.07 1.64 0.01 -1.26 -5.06 113.70 116.72 1pnb s SER 29 Ca 0.25 0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 1pnb s SER 29 Cb -0.02 -2.05 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 1pnb s SER 29 CO -0.06 0.10 1.16 -2.16 0.41 0.00 0.00 173.24 172.70 1pnb s PRO 30 N -2.55 4.47 0.00 12.44 0.04 -1.26 -5.31 135.00 142.83 1pnb s PRO 30 Ca 0.38 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1pnb s PRO 30 Cb -0.12 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1pnb s PRO 30 CO 0.25 -0.19 0.27 0.34 0.04 0.00 0.00 177.00 177.71