#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 -0.01 -1.09 0.04 -1.26 -4.94 135.00 132.17 1pnb s PRO 2 Ca 0.00 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1pnb s PRO 2 Cb 0.00 -3.39 -0.27 0.00 0.04 0.00 0.00 34.50 30.87 1pnb s PRO 2 CO 0.00 -0.27 1.02 0.37 0.04 0.00 0.00 177.00 178.17 1pnb h GLN 3 N 6.91 0.40 -1.00 4.56 4.15 -2.05 -3.08 115.11 125.00 1pnb h GLN 3 Ca -0.40 -0.52 0.08 0.00 0.77 0.00 0.00 58.65 58.57 1pnb h GLN 3 Cb 1.21 0.17 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 1pnb h GLN 3 CO 0.82 1.19 0.64 0.87 -1.93 0.00 0.00 178.83 180.42 1pnb h LYS 4 N -0.15 1.10 0.23 1.69 1.57 -1.99 -2.10 116.57 116.92 1pnb h LYS 4 Ca -0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1pnb h LYS 4 Cb 1.52 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1pnb h LYS 4 CO 0.15 0.73 -0.16 0.00 -0.57 0.00 0.00 179.45 179.59 1pnb n GLN 6 N -3.27 -0.05 0.05 0.00 6.02 -1.04 0.08 117.38 119.17 1pnb n GLN 6 Ca -0.05 1.25 -0.03 0.00 -0.01 0.00 0.00 57.00 58.17 1pnb n GLN 6 Cb 0.16 -2.27 -0.01 0.00 1.02 0.00 0.00 30.24 29.14 1pnb n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pnb h ARG 7 N 0.00 -0.17 -1.02 -1.09 3.08 -0.68 -3.30 114.38 111.20 1pnb h ARG 7 Ca 0.78 0.01 0.41 0.00 0.07 0.00 0.00 59.98 61.25 1pnb h ARG 7 Cb 2.11 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 32.04 1pnb h ARG 7 CO -0.68 -0.12 0.57 0.39 -1.07 0.00 0.00 179.97 179.07 1pnb n GLU 8 N -3.72 -0.05 -0.02 0.04 4.71 0.46 0.15 120.64 122.21 1pnb n GLU 8 Ca -0.02 1.30 -0.02 0.00 -0.01 0.00 0.00 57.16 58.41 1pnb n GLU 8 Cb 0.07 -2.37 -0.01 0.00 -1.01 0.00 0.00 31.44 28.12 1pnb n GLU 8 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1pnb h PHE 9 N 0.00 -0.25 0.20 -0.32 3.57 -0.43 0.91 116.94 120.62 1pnb h PHE 9 Ca 0.82 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 62.01 1pnb h PHE 9 Cb 2.25 0.12 0.04 0.00 2.79 0.00 0.00 35.95 41.14 1pnb h PHE 9 CO -0.01 -0.07 -1.38 0.37 -2.23 0.00 0.00 178.31 174.99 1pnb h GLN 10 N -0.06 0.57 -0.95 1.11 4.15 -1.10 -3.12 115.11 115.71 1pnb h GLN 10 Ca 0.01 -0.89 0.21 0.00 0.77 0.00 0.00 58.65 58.75 1pnb h GLN 10 Cb 0.09 0.32 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 1pnb h GLN 10 CO -0.09 1.42 0.61 1.96 -1.93 0.00 0.00 178.83 180.80 1pnb h GLN 11 N 0.18 0.49 0.00 1.69 7.50 0.15 -3.28 115.11 121.84 1pnb h GLN 11 Ca -0.23 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1pnb h GLN 11 Cb 2.06 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 29.48 1pnb h GLN 11 CO 0.26 0.32 0.00 0.39 -1.50 0.00 0.00 178.83 178.30 1pnb n GLU 12 N -4.58 0.00 0.00 1.46 -0.58 0.31 -4.98 120.64 112.27 1pnb n GLU 12 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1pnb n GLU 12 Cb 0.68 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 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 1.13 -1.20 -5.08 117.38 115.71 1pnb n GLN 13 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pnb n GLN 13 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1pnb n GLN 13 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1pnb n HIS 14 N 0.00 0.00 -0.76 1.08 8.25 -1.18 -4.69 115.22 117.91 1pnb n HIS 14 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1pnb n HIS 14 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.26 0.00 2.41 7.99 -1.26 -5.00 117.00 118.87 1pnb n LEU 15 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 1pnb n LEU 15 Cb 0.00 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 42.65 1pnb n LEU 15 CO 0.00 -2.71 0.00 0.54 -1.51 0.00 0.00 177.39 173.71 1pnb n ARG 16 N 0.34 0.00 -0.40 3.23 1.74 -1.26 -4.71 116.66 115.60 1pnb n ARG 16 Ca 0.01 0.00 0.32 0.00 -0.77 0.00 0.00 57.85 57.41 1pnb n ARG 16 Cb 0.48 -0.02 0.53 0.00 -1.02 0.00 0.00 32.46 32.44 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 -2.20 1.12 -0.19 7.54 0.00 -1.26 0.29 120.51 125.81 1pnb n ALA 17 Ca 0.00 0.61 0.28 0.00 0.00 0.00 0.00 53.44 54.33 1pnb n ALA 17 Cb 0.00 -0.80 0.50 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.35 -0.09 -0.35 0.00 1.13 0.85 0.36 117.38 115.93 1pnb n GLN 19 Ca 0.22 1.21 0.02 0.00 -1.94 0.00 0.00 57.00 56.52 1pnb n GLN 19 Cb 1.42 -1.81 0.19 0.00 0.11 0.00 0.00 30.24 30.15 1pnb n GLN 19 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1pnb h GLN 20 N 0.00 1.12 -0.19 -1.09 4.20 -1.13 1.87 115.11 119.89 1pnb h GLN 20 Ca 0.36 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 59.02 1pnb h GLN 20 Cb 0.55 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1pnb h GLN 20 CO -0.80 0.74 -0.13 2.35 -0.67 0.00 0.00 178.83 180.32 1pnb h TRP 21 N 1.16 -0.41 0.04 2.96 7.01 0.61 1.38 115.95 128.69 1pnb h TRP 21 Ca 0.41 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.43 1pnb h TRP 21 Cb 0.13 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1pnb h TRP 21 CO -0.00 -0.09 -0.02 -0.84 -2.79 0.00 0.00 178.44 174.70 1pnb h ILE 22 N -0.02 1.14 -0.59 2.65 -0.00 -1.38 -2.78 117.51 116.52 1pnb h ILE 22 Ca 0.03 -1.68 0.05 0.00 -0.00 0.00 0.00 64.86 63.26 1pnb h ILE 22 Cb 0.10 2.08 -0.07 0.00 -0.00 0.00 0.00 36.82 38.93 1pnb h ILE 22 CO -0.19 0.36 -0.36 -0.09 -0.00 0.00 0.00 178.15 177.87 1pnb h ARG 23 N -0.94 -0.01 -0.92 0.16 2.43 0.31 0.57 114.38 115.97 1pnb h ARG 23 Ca -0.01 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1pnb h ARG 23 Cb 0.63 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 1pnb h ARG 23 CO 0.01 -0.01 0.56 0.37 -1.51 0.00 0.00 179.97 179.39 1pnb h GLN 24 N -0.01 0.87 -0.31 0.20 4.15 0.18 -1.26 115.11 118.92 1pnb h GLN 24 Ca 0.10 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.53 1pnb h GLN 24 Cb 0.26 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 27.67 1pnb h GLN 24 CO -0.56 0.58 -0.35 0.37 -1.93 0.00 0.00 178.83 176.93 1pnb h GLN 25 N 0.90 -0.31 -0.74 1.69 -0.00 0.34 -0.01 115.11 116.97 1pnb h GLN 25 Ca 0.45 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 59.13 1pnb h GLN 25 Cb 0.44 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 1pnb h GLN 25 CO -0.26 -0.21 0.49 -0.07 0.00 0.00 0.00 178.83 178.78 1pnb h LEU 26 N -0.32 0.86 -9.03 -2.39 3.38 -0.18 -3.43 115.31 104.19 1pnb h LEU 26 Ca 0.14 -0.03 -0.81 0.00 0.09 0.00 0.00 57.88 57.27 1pnb h LEU 26 Cb 0.56 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.13 1pnb h LEU 26 CO -0.49 0.63 0.36 0.00 0.09 0.00 0.00 178.44 179.03 1pnb n ALA 27 N -2.31 -2.45 -0.10 1.53 0.00 -0.02 -4.87 120.51 112.30 1pnb n ALA 27 Ca 0.07 0.55 -0.16 0.00 0.00 0.00 0.00 53.44 53.89 1pnb n ALA 27 Cb 0.02 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 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 2.59 -0.85 2.92 0.00 0.00 -1.26 -4.72 105.19 103.87 1pnb n GLY 28 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1pnb n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pnb s SER 29 N -6.51 4.71 0.67 1.61 0.01 -1.26 -5.09 113.70 107.85 1pnb s SER 29 Ca -0.25 -3.61 -0.12 0.00 1.31 0.00 0.00 55.95 53.28 1pnb s SER 29 Cb 0.05 -1.65 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1pnb s SER 29 CO 0.46 -0.13 1.06 -2.16 0.41 0.00 0.00 173.24 172.88 1pnb s PRO 30 N -1.12 3.04 0.00 12.44 0.04 -1.26 -5.28 135.00 142.86 1pnb s PRO 30 Ca 0.23 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1pnb s PRO 30 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1pnb s PRO 30 CO -0.12 -1.02 0.17 0.34 0.04 0.00 0.00 177.00 176.41