#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 4.47 0.20 -1.09 0.04 -1.26 -4.93 135.00 132.43 1pnb s PRO 2 Ca 0.00 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1pnb s PRO 2 Cb 0.00 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.31 1pnb s PRO 2 CO 0.00 -0.19 1.47 0.37 0.04 0.00 0.00 177.00 178.69 1pnb h GLN 3 N 6.60 0.28 -0.83 4.56 -0.00 -2.03 -3.25 115.11 120.43 1pnb h GLN 3 Ca -0.42 -0.23 0.15 0.00 -0.00 0.00 0.00 58.65 58.15 1pnb h GLN 3 Cb 1.21 0.05 -0.15 0.00 0.00 0.00 0.00 27.48 28.60 1pnb h GLN 3 CO 0.79 0.88 -0.26 1.63 0.00 0.00 0.00 178.83 181.87 1pnb n LYS 4 N -3.81 -0.13 0.00 1.69 5.02 -1.26 0.31 118.16 119.99 1pnb n LYS 4 Ca -0.03 1.28 0.00 0.00 -2.02 0.00 0.00 58.31 57.54 1pnb n LYS 4 Cb 0.69 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1pnb n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnb n GLN 6 N -1.06 -0.04 -0.00 0.00 6.02 -0.57 0.20 117.38 121.92 1pnb n GLN 6 Ca 0.00 1.11 -0.17 0.00 -0.01 0.00 0.00 57.00 57.93 1pnb n GLN 6 Cb 0.00 -2.09 -0.13 0.00 1.02 0.00 0.00 30.24 29.04 1pnb n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1pnb h ARG 7 N 0.00 0.20 -1.00 -1.09 2.43 0.51 -3.28 114.38 112.15 1pnb h ARG 7 Ca 0.73 -0.29 0.40 0.00 -0.81 0.00 0.00 59.98 60.01 1pnb h ARG 7 Cb 2.13 0.10 -0.18 0.00 -0.42 0.00 0.00 29.97 31.60 1pnb h ARG 7 CO -0.53 1.09 0.53 0.93 -1.51 0.00 0.00 179.97 180.47 1pnb h GLU 8 N -0.54 0.03 -0.10 0.20 3.07 1.80 0.29 114.58 119.34 1pnb h GLU 8 Ca -0.07 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1pnb h GLU 8 Cb 1.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 1pnb h GLU 8 CO 0.08 0.02 -0.06 0.34 -1.40 0.00 0.00 179.01 178.00 1pnb n PHE 9 N -5.25 -0.04 0.06 4.33 -0.00 -0.72 -0.54 117.46 115.30 1pnb n PHE 9 Ca 0.37 0.13 -0.18 0.00 -0.00 0.00 0.00 57.45 57.77 1pnb n PHE 9 Cb 1.24 -0.40 -0.14 0.00 -0.00 0.00 0.00 39.48 40.18 1pnb n PHE 9 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1pnb h GLN 10 N 0.00 0.27 -0.97 -4.13 4.15 -1.48 -2.90 115.11 110.05 1pnb h GLN 10 Ca 0.02 -0.46 0.18 0.00 0.77 0.00 0.00 58.65 59.16 1pnb h GLN 10 Cb 0.04 0.17 -0.18 0.00 0.21 0.00 0.00 27.48 27.72 1pnb h GLN 10 CO -0.10 1.13 -0.27 0.94 -1.93 0.00 0.00 178.83 178.60 1pnb n GLN 11 N -3.46 -0.12 0.00 1.69 0.00 0.92 -3.23 117.38 113.18 1pnb n GLN 11 Ca -0.19 1.50 0.00 0.00 -0.00 0.00 0.00 57.00 58.31 1pnb n GLN 11 Cb 1.05 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1pnb n GLN 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1pnb n GLU 12 N -5.54 0.00 0.00 3.69 0.28 0.30 -5.02 120.64 114.36 1pnb n GLU 12 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1pnb n GLU 12 Cb 0.46 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1pnb n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pnb n GLN 13 N -0.14 0.00 -0.32 3.44 6.02 -1.20 -5.05 117.38 120.13 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 -0.45 1.08 8.25 -1.09 -4.41 115.22 118.59 1pnb n HIS 14 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1pnb n HIS 14 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.18 -1.20 -0.11 2.41 -0.00 -1.26 -4.91 117.00 112.11 1pnb n LEU 15 Ca 0.00 0.25 -0.22 0.00 -0.00 0.00 0.00 56.01 56.05 1pnb n LEU 15 Cb 0.00 -0.31 -0.07 0.00 -0.00 0.00 0.00 43.42 43.04 1pnb n LEU 15 CO 0.00 -1.63 -1.16 0.54 -0.00 0.00 0.00 177.39 175.14 1pnb n ARG 16 N 0.51 0.48 -0.57 1.47 1.74 -1.26 -4.40 116.66 114.63 1pnb n ARG 16 Ca 0.03 0.21 0.44 0.00 -0.77 0.00 0.00 57.85 57.76 1pnb n ARG 16 Cb 0.16 -1.32 0.68 0.00 -1.02 0.00 0.00 32.46 30.96 1pnb n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pnb n ALA 17 N -4.10 1.57 0.22 7.54 0.00 -1.26 0.55 120.51 125.03 1pnb n ALA 17 Ca -0.39 0.54 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1pnb n ALA 17 Cb 0.75 -0.94 0.77 0.00 0.00 0.00 0.00 19.45 20.02 1pnb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnb n GLN 19 N -4.15 -0.05 0.04 0.00 6.02 2.20 0.40 117.38 121.85 1pnb n GLN 19 Ca -0.00 1.09 -0.16 0.00 -0.01 0.00 0.00 57.00 57.92 1pnb n GLN 19 Cb 0.22 -1.97 -0.06 0.00 1.02 0.00 0.00 30.24 29.45 1pnb n GLN 19 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1pnb h GLN 20 N 0.00 0.56 -0.21 -1.09 4.20 -1.58 0.54 115.11 117.52 1pnb h GLN 20 Ca 0.68 -0.56 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1pnb h GLN 20 Cb 1.83 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.70 1pnb h GLN 20 CO -0.59 1.18 -0.16 2.35 -0.67 0.00 0.00 178.83 180.94 1pnb h TRP 21 N 0.34 -0.40 0.17 2.96 -0.00 0.77 0.39 115.95 120.18 1pnb h TRP 21 Ca -0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1pnb h TRP 21 Cb 1.55 0.21 0.00 0.00 -0.00 0.00 0.00 29.16 30.92 1pnb h TRP 21 CO 0.07 -0.23 -0.08 -0.84 -0.00 0.00 0.00 178.44 177.37 1pnb h ILE 22 N -0.16 0.37 -0.86 2.65 -0.00 -1.17 -3.22 117.51 115.13 1pnb h ILE 22 Ca 0.12 -1.03 0.10 0.00 -0.00 0.00 0.00 64.86 64.06 1pnb h ILE 22 Cb 0.34 0.66 -0.12 0.00 -0.00 0.00 0.00 36.82 37.70 1pnb h ILE 22 CO -0.31 0.11 -0.43 -1.14 -0.00 0.00 0.00 178.15 176.38 1pnb n ARG 23 N -4.91 -0.30 -0.32 0.16 0.00 0.19 0.30 116.66 111.77 1pnb n ARG 23 Ca -0.05 1.31 0.21 0.00 -0.00 0.00 0.00 57.85 59.33 1pnb n ARG 23 Cb 0.18 -1.94 0.49 0.00 0.00 0.00 0.00 32.46 31.19 1pnb n ARG 23 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1pnb h GLN 24 N 0.00 0.42 -0.00 -0.14 4.15 -0.34 -1.85 115.11 117.35 1pnb h GLN 24 Ca 0.21 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1pnb h GLN 24 Cb 0.42 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1pnb h GLN 24 CO -0.83 0.28 -0.18 0.37 -1.93 0.00 0.00 178.83 176.54 1pnb h GLN 25 N 0.43 -0.21 -0.62 1.69 -0.00 0.44 -2.02 115.11 114.83 1pnb h GLN 25 Ca 0.58 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 59.37 1pnb h GLN 25 Cb 1.41 0.05 -0.11 0.00 0.00 0.00 0.00 27.48 28.83 1pnb h GLN 25 CO -0.30 -0.14 -0.01 -0.07 0.00 0.00 0.00 178.83 178.31 1pnb h LEU 26 N -0.22 -0.31 -9.05 -2.39 3.38 -1.19 -3.42 115.31 102.12 1pnb h LEU 26 Ca 0.00 0.16 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 1pnb h LEU 26 Cb 0.24 0.28 0.24 0.00 0.09 0.00 0.00 40.66 41.51 1pnb h LEU 26 CO -0.12 -0.13 -1.81 0.00 0.09 0.00 0.00 178.44 176.48 1pnb n ALA 27 N -2.83 -5.34 -0.88 1.53 0.00 -0.76 -4.93 120.51 107.31 1pnb n ALA 27 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1pnb n ALA 27 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1pnb n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnb n GLY 28 N 3.37 -1.26 3.31 0.00 0.00 -1.26 -4.99 105.19 104.36 1pnb n GLY 28 Ca -0.01 0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1pnb n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pnb n SER 29 N -1.19 0.28 -4.75 1.61 7.64 -1.26 -4.82 113.62 111.13 1pnb n SER 29 Ca 0.00 0.17 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 1pnb n SER 29 Cb 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 1pnb n SER 29 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pnb s PRO 30 N 8.48 4.65 0.00 1.43 0.04 -1.26 -5.29 135.00 143.06 1pnb s PRO 30 Ca 1.28 1.76 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1pnb s PRO 30 Cb -1.19 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1pnb s PRO 30 CO 0.46 0.22 0.00 0.34 0.04 0.00 0.00 177.00 178.06