#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 -4.94 135.00 132.21 1pnb s PRO 2 Ca 0.00 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1pnb s PRO 2 Cb 0.00 -3.41 -0.35 0.00 0.04 0.00 0.00 34.50 30.78 1pnb s PRO 2 CO 0.00 -0.28 0.98 0.37 0.04 0.00 0.00 177.00 178.11 1pnb h GLN 3 N 6.97 0.50 -0.88 4.56 4.15 -2.05 -3.16 115.11 125.20 1pnb h GLN 3 Ca -0.40 -0.86 -0.01 0.00 0.77 0.00 0.00 58.65 58.15 1pnb h GLN 3 Cb 1.20 0.32 -0.04 0.00 0.21 0.00 0.00 27.48 29.17 1pnb h GLN 3 CO 0.82 1.41 0.50 1.57 -1.93 0.00 0.00 178.83 181.20 1pnb h LYS 4 N 0.14 1.22 0.52 1.69 2.10 -1.98 0.85 116.57 121.12 1pnb h LYS 4 Ca -0.25 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.25 1pnb h LYS 4 Cb 2.15 -0.25 -0.02 0.00 -0.90 0.00 0.00 32.23 33.22 1pnb h LYS 4 CO 0.26 0.88 -0.46 0.00 -2.00 0.00 0.00 179.45 178.13 1pnb h GLN 6 N -0.97 0.56 0.57 0.00 4.20 -1.47 -2.14 115.11 115.87 1pnb h GLN 6 Ca -0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1pnb h GLN 6 Cb 0.82 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.48 1pnb h GLN 6 CO -0.02 0.37 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.14 1pnb h ARG 7 N 0.58 -0.74 -0.91 1.46 2.43 -0.18 -2.93 114.38 114.08 1pnb h ARG 7 Ca 0.43 0.05 0.33 0.00 -0.81 0.00 0.00 59.98 59.98 1pnb h ARG 7 Cb 0.59 0.17 -0.17 0.00 -0.42 0.00 0.00 29.97 30.15 1pnb h ARG 7 CO -0.36 -0.43 0.30 0.39 -1.51 0.00 0.00 179.97 178.36 1pnb n GLU 8 N -5.35 -0.06 -0.08 0.20 -0.58 0.61 0.14 120.64 115.52 1pnb n GLU 8 Ca -0.12 1.31 -0.05 0.00 -0.42 0.00 0.00 57.16 57.88 1pnb n GLU 8 Cb 0.34 -2.23 -0.04 0.00 -0.57 0.00 0.00 31.44 28.94 1pnb n GLU 8 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1pnb h PHE 9 N 0.00 -0.68 0.02 -0.32 3.57 -1.22 -1.64 116.94 116.67 1pnb h PHE 9 Ca 0.69 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.96 1pnb h PHE 9 Cb 1.69 0.32 0.02 0.00 2.79 0.00 0.00 35.95 40.77 1pnb h PHE 9 CO -0.19 -0.18 -1.05 0.37 -2.23 0.00 0.00 178.31 175.02 1pnb h GLN 10 N -0.13 0.58 -0.86 1.11 4.15 -0.91 -3.09 115.11 115.96 1pnb h GLN 10 Ca 0.03 -0.66 0.31 0.00 0.77 0.00 0.00 58.65 59.10 1pnb h GLN 10 Cb 0.22 0.19 -0.16 0.00 0.21 0.00 0.00 27.48 27.94 1pnb h GLN 10 CO -0.26 1.26 0.27 0.00 -1.93 0.00 0.00 178.83 178.17 1pnb n GLN 11 N -3.80 -0.06 0.00 1.69 10.64 0.38 -3.26 117.38 122.98 1pnb n GLN 11 Ca -0.10 1.24 0.00 0.00 -1.83 0.00 0.00 57.00 56.31 1pnb n GLN 11 Cb 0.89 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 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 -5.08 0.00 0.00 2.61 -0.58 -0.65 -5.03 120.64 111.91 1pnb n GLU 12 Ca 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1pnb n GLU 12 Cb 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.78 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 -5.09 117.38 120.60 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 -0.94 1.08 8.25 -1.17 -4.64 115.22 117.80 1pnb n HIS 14 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 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 0.08 -2.79 -0.03 2.41 -0.00 -1.26 -4.88 117.00 110.54 1pnb n LEU 15 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 1pnb n LEU 15 Cb 0.00 -0.49 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 1pnb n LEU 15 CO 0.00 -2.37 -0.59 0.54 -0.00 0.00 0.00 177.39 174.97 1pnb n ARG 16 N 2.37 0.18 -0.34 1.47 1.74 -1.26 -3.61 116.66 117.20 1pnb n ARG 16 Ca -0.02 0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1pnb n ARG 16 Cb 0.63 -0.81 0.21 0.00 -1.02 0.00 0.00 32.46 31.47 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 -0.32 0.91 0.23 7.54 0.00 -2.00 0.82 119.26 126.44 1pnb h ALA 17 Ca -0.14 0.36 -0.35 0.00 0.00 0.00 0.00 54.91 54.78 1pnb h ALA 17 Cb 0.87 0.66 0.03 0.00 0.00 0.00 0.00 17.79 19.35 1pnb h ALA 17 CO -0.09 -0.48 -1.60 0.00 0.00 0.00 0.00 179.25 177.09 1pnb h GLN 19 N 0.13 0.22 0.00 0.00 3.07 0.08 -2.61 115.11 116.00 1pnb h GLN 19 Ca -0.29 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1pnb h GLN 19 Cb 2.15 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.66 1pnb h GLN 19 CO 0.24 0.14 0.00 0.94 0.09 0.00 0.00 178.83 180.24 1pnb n GLN 20 N -4.51 0.00 0.30 0.06 -0.06 0.23 0.31 117.38 113.71 1pnb n GLN 20 Ca 0.28 0.62 -0.12 0.00 -2.00 0.00 0.00 57.00 55.77 1pnb n GLN 20 Cb 1.11 -1.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.23 1pnb n GLN 20 CO 0.00 0.00 0.00 2.35 -0.20 0.00 0.00 177.06 179.21 1pnb h TRP 21 N 0.00 -0.78 -0.60 3.69 7.01 -1.72 4.46 115.95 128.01 1pnb h TRP 21 Ca 0.00 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.13 1pnb h TRP 21 Cb 0.00 0.27 -0.11 0.00 -2.10 0.00 0.00 29.16 27.22 1pnb h TRP 21 CO -0.43 -0.46 -0.05 1.51 -2.79 0.00 0.00 178.44 176.22 1pnb n ILE 22 N -4.23 -0.25 0.00 2.65 0.00 -0.89 0.30 119.36 116.94 1pnb n ILE 22 Ca -0.10 1.34 0.00 0.00 0.00 0.00 0.00 62.75 63.99 1pnb n ILE 22 Cb 0.32 -1.91 0.00 0.00 0.00 0.00 0.00 39.64 38.04 1pnb n ILE 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pnb n ARG 23 N -4.84 0.00 -0.46 9.51 0.00 0.92 -4.17 116.66 117.61 1pnb n ARG 23 Ca 0.12 0.30 0.38 0.00 -0.00 0.00 0.00 57.85 58.65 1pnb n ARG 23 Cb 0.40 -0.79 0.62 0.00 0.00 0.00 0.00 32.46 32.68 1pnb n ARG 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1pnb n GLN 24 N -2.09 -0.02 -0.22 -0.14 7.27 1.46 0.14 117.38 123.78 1pnb n GLN 24 Ca 0.00 1.04 0.21 0.00 0.07 0.00 0.00 57.00 58.31 1pnb n GLN 24 Cb 0.00 -2.13 0.39 0.00 2.41 0.00 0.00 30.24 30.91 1pnb n GLN 24 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1pnb n GLN 25 N -4.20 -0.04 0.17 3.69 1.13 0.89 0.11 117.38 119.12 1pnb n GLN 25 Ca 0.36 0.95 -0.08 0.00 -1.94 0.00 0.00 57.00 56.30 1pnb n GLN 25 Cb 1.46 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 30.07 1pnb n GLN 25 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1pnb h LEU 26 N 0.00 -0.42 0.00 1.08 3.38 -0.53 -3.46 115.31 115.37 1pnb h LEU 26 Ca 0.57 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1pnb h LEU 26 Cb 1.48 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1pnb h LEU 26 CO -0.54 -0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.99 1pnb n ALA 27 N -2.71 0.00 0.00 1.53 0.00 0.30 -4.89 120.51 114.74 1pnb n ALA 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pnb n ALA 27 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.92 3.40 3.27 0.00 0.00 -1.25 -4.94 105.19 107.60 1pnb n GLY 28 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -2.48 -4.72 1.61 2.88 -1.26 -4.88 113.62 104.76 1pnb n SER 29 Ca 0.00 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 1pnb n SER 29 Cb 0.00 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 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 -3.32 4.50 0.00 -1.46 0.04 -1.26 -5.26 135.00 128.24 1pnb s PRO 30 Ca 0.54 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1pnb s PRO 30 Cb -0.12 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pnb s PRO 30 CO 0.67 -0.11 0.16 0.34 0.04 0.00 0.00 177.00 178.10