#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 -0.07 2.61 0.04 -1.26 -4.96 135.00 135.79 1pnb s PRO 2 Ca 0.00 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 1pnb s PRO 2 Cb 0.00 -3.40 -0.17 0.00 0.04 0.00 0.00 34.50 30.98 1pnb s PRO 2 CO 0.00 -0.27 0.78 0.37 0.04 0.00 0.00 177.00 177.92 1pnb h GLN 3 N 6.92 -0.12 -0.95 4.56 4.15 -2.04 -3.19 115.11 124.45 1pnb h GLN 3 Ca -0.40 0.01 0.28 0.00 0.77 0.00 0.00 58.65 59.30 1pnb h GLN 3 Cb 1.21 0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.78 1pnb h GLN 3 CO 0.82 0.40 0.41 0.87 -1.93 0.00 0.00 178.83 179.39 1pnb h LYS 4 N -0.88 0.27 0.24 1.69 1.57 -1.96 1.58 116.57 119.09 1pnb h LYS 4 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pnb h LYS 4 Cb 0.57 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1pnb h LYS 4 CO 0.02 0.18 -0.48 0.00 -0.57 0.00 0.00 179.45 178.60 1pnb h GLN 6 N -0.78 -0.78 -0.53 0.00 3.07 -0.59 -3.18 115.11 112.31 1pnb h GLN 6 Ca -0.03 0.05 0.05 0.00 0.09 0.00 0.00 58.65 58.82 1pnb h GLN 6 Cb 0.74 0.18 -0.07 0.00 0.08 0.00 0.00 27.48 28.40 1pnb h GLN 6 CO -0.19 -0.47 -0.39 -0.09 0.09 0.00 0.00 178.83 177.79 1pnb h ARG 7 N -1.04 -0.09 -1.11 0.06 2.43 0.22 0.80 114.38 115.65 1pnb h ARG 7 Ca -0.08 0.01 0.40 0.00 -0.81 0.00 0.00 59.98 59.49 1pnb h ARG 7 Cb 0.68 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.12 1pnb h ARG 7 CO 0.14 -0.06 0.70 0.39 -1.51 0.00 0.00 179.97 179.62 1pnb n GLU 8 N -4.50 -0.03 0.00 0.20 1.02 0.24 0.19 120.64 117.77 1pnb n GLU 8 Ca 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1pnb n GLU 8 Cb 0.19 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1pnb n GLU 8 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pnb n PHE 9 N -4.49 0.00 -0.01 -0.32 7.35 0.28 -2.46 117.46 117.81 1pnb n PHE 9 Ca 0.34 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.87 1pnb n PHE 9 Cb 1.29 -0.47 -0.05 0.00 0.35 0.00 0.00 39.48 40.60 1pnb n PHE 9 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1pnb h GLN 10 N 0.00 0.72 -0.84 -4.13 4.15 -0.80 -3.03 115.11 111.18 1pnb h GLN 10 Ca 0.00 -0.59 0.32 0.00 0.77 0.00 0.00 58.65 59.15 1pnb h GLN 10 Cb 0.00 0.12 -0.15 0.00 0.21 0.00 0.00 27.48 27.66 1pnb h GLN 10 CO 0.00 1.20 0.32 0.00 -1.93 0.00 0.00 178.83 178.42 1pnb n GLN 11 N -3.92 -0.06 0.00 1.69 10.64 0.52 -3.42 117.38 122.83 1pnb n GLN 11 Ca -0.07 1.19 0.00 0.00 -1.83 0.00 0.00 57.00 56.29 1pnb n GLN 11 Cb 0.74 -2.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 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 -5.00 0.00 0.00 2.61 -0.58 -1.03 -5.02 120.64 111.62 1pnb n GLU 12 Ca 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1pnb n GLU 12 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.82 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 0.00 3.49 6.02 -1.20 -5.11 117.38 120.58 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 -0.28 1.08 8.25 -1.15 -4.75 115.22 118.37 1pnb n HIS 14 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1pnb n HIS 14 Cb 0.00 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.29 1pnb n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1pnb n LEU 15 N 0.00 0.00 0.01 2.41 7.99 -1.26 -4.97 117.00 121.19 1pnb n LEU 15 Ca 0.00 -0.53 -0.01 0.00 -0.01 0.00 0.00 56.01 55.46 1pnb n LEU 15 Cb 0.00 -0.70 -0.00 0.00 -0.11 0.00 0.00 43.42 42.60 1pnb n LEU 15 CO 0.00 -2.40 -0.07 0.54 -1.51 0.00 0.00 177.39 173.95 1pnb n ARG 16 N -3.22 0.05 -0.48 3.23 1.74 -1.26 -3.95 116.66 112.76 1pnb n ARG 16 Ca 0.08 0.02 0.40 0.00 -0.77 0.00 0.00 57.85 57.58 1pnb n ARG 16 Cb 0.36 -0.41 0.68 0.00 -1.02 0.00 0.00 32.46 32.08 1pnb n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pnb h ALA 17 N -0.25 2.88 0.23 7.54 0.00 -2.01 2.68 119.26 130.34 1pnb h ALA 17 Ca 0.00 0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1pnb h ALA 17 Cb 0.10 0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1pnb h ALA 17 CO 0.00 -1.54 -1.57 0.00 0.00 0.00 0.00 179.25 176.14 1pnb h GLN 19 N 0.13 0.16 0.00 0.00 -0.00 0.45 -2.76 115.11 113.10 1pnb h GLN 19 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1pnb h GLN 19 Cb 2.15 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 29.59 1pnb h GLN 19 CO 0.25 0.11 0.00 1.04 -0.00 0.00 0.00 178.83 180.22 1pnb n GLN 20 N -4.39 0.00 0.13 0.06 1.13 -0.21 0.20 117.38 114.30 1pnb n GLN 20 Ca 0.26 0.48 -0.11 0.00 -1.94 0.00 0.00 57.00 55.69 1pnb n GLN 20 Cb 1.10 -0.97 -0.06 0.00 0.11 0.00 0.00 30.24 30.41 1pnb n GLN 20 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1pnb h TRP 21 N 0.00 -0.89 -0.51 1.08 7.01 -1.75 5.51 115.95 126.40 1pnb h TRP 21 Ca 0.00 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.14 1pnb h TRP 21 Cb 0.00 0.36 -0.10 0.00 -2.10 0.00 0.00 29.16 27.32 1pnb h TRP 21 CO 0.00 -0.39 -0.06 1.51 -2.79 0.00 0.00 178.44 176.72 1pnb n ILE 22 N -4.25 -0.22 -0.04 2.65 0.00 -1.06 0.31 119.36 116.76 1pnb n ILE 22 Ca -0.06 1.15 -0.02 0.00 0.00 0.00 0.00 62.75 63.82 1pnb n ILE 22 Cb 0.27 -1.64 -0.01 0.00 0.00 0.00 0.00 39.64 38.26 1pnb n ILE 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1pnb h ARG 23 N 0.00 0.00 -1.31 9.51 1.12 0.36 -3.37 114.38 120.69 1pnb h ARG 23 Ca 0.28 0.00 0.47 0.00 -1.11 0.00 0.00 59.98 59.62 1pnb h ARG 23 Cb 0.51 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 30.32 1pnb h ARG 23 CO -0.51 0.00 0.82 0.94 -3.11 0.00 0.00 179.97 178.11 1pnb n GLN 24 N -3.50 -0.04 -0.25 0.20 -0.06 1.78 0.32 117.38 115.83 1pnb n GLN 24 Ca -0.03 1.28 0.25 0.00 -2.00 0.00 0.00 57.00 56.50 1pnb n GLN 24 Cb 0.11 -2.47 0.46 0.00 -4.06 0.00 0.00 30.24 24.28 1pnb n GLN 24 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1pnb n GLN 25 N -4.82 -0.05 -0.00 3.69 0.00 0.92 0.29 117.38 117.41 1pnb n GLN 25 Ca 0.40 1.06 -0.10 0.00 -0.00 0.00 0.00 57.00 58.36 1pnb n GLN 25 Cb 1.52 -1.91 -0.04 0.00 0.00 0.00 0.00 30.24 29.81 1pnb n GLN 25 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pnb h LEU 26 N 0.00 -0.25 -9.28 1.69 3.38 -0.36 -3.42 115.31 107.07 1pnb h LEU 26 Ca 0.65 0.06 -0.37 0.00 0.09 0.00 0.00 57.88 58.31 1pnb h LEU 26 Cb 1.75 0.13 0.20 0.00 0.09 0.00 0.00 40.66 42.83 1pnb h LEU 26 CO -0.58 -0.11 -1.11 0.00 0.09 0.00 0.00 178.44 176.72 1pnb n ALA 27 N -2.40 -3.06 -2.62 1.53 0.00 0.83 -4.98 120.51 109.80 1pnb n ALA 27 Ca -0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 53.44 52.19 1pnb n ALA 27 Cb 0.14 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 2.48 0.46 3.23 0.00 0.00 -1.26 -5.05 105.19 105.05 1pnb n GLY 28 Ca 0.02 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1pnb n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pnb n SER 29 N -0.72 0.38 -4.77 1.61 2.88 -1.26 -4.83 113.62 106.91 1pnb n SER 29 Ca -0.12 0.28 -0.38 0.00 -1.33 0.00 0.00 58.87 57.32 1pnb n SER 29 Cb 0.72 -0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 1pnb n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1pnb s PRO 30 N 7.77 4.37 0.00 -1.46 0.04 -1.26 -5.32 135.00 139.14 1pnb s PRO 30 Ca 1.24 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1pnb s PRO 30 Cb -1.24 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1pnb s PRO 30 CO 0.50 0.01 0.08 1.19 0.04 0.00 0.00 177.00 178.82