#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 0.09 3.69 0.04 -1.26 -4.94 135.00 137.05 1pnb s PRO 2 Ca 0.00 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1pnb s PRO 2 Cb 0.00 -3.39 -0.20 0.00 0.04 0.00 0.00 34.50 30.94 1pnb s PRO 2 CO 0.00 -0.26 1.23 0.37 0.04 0.00 0.00 177.00 178.38 1pnb h GLN 3 N 6.91 0.74 -0.94 4.56 5.75 -2.04 -3.09 115.11 127.01 1pnb h GLN 3 Ca -0.40 -0.72 0.07 0.00 -0.15 0.00 0.00 58.65 57.45 1pnb h GLN 3 Cb 1.21 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.88 1pnb h GLN 3 CO 0.81 1.30 0.59 0.87 -2.65 0.00 0.00 178.83 179.76 1pnb h LYS 4 N 0.45 1.01 0.14 1.69 1.57 -1.97 0.72 116.57 120.19 1pnb h LYS 4 Ca -0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1pnb h LYS 4 Cb 1.59 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 1pnb h LYS 4 CO 0.19 0.67 -0.10 0.00 -0.57 0.00 0.00 179.45 179.64 1pnb h GLN 6 N -0.23 0.61 0.00 0.00 3.07 -1.41 -0.89 115.11 116.25 1pnb h GLN 6 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1pnb h GLN 6 Cb 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1pnb h GLN 6 CO 0.01 0.40 0.00 0.54 0.09 0.00 0.00 178.83 179.87 1pnb n ARG 7 N -4.66 0.00 -0.28 0.06 5.12 0.25 -2.64 116.66 114.51 1pnb n ARG 7 Ca 0.22 0.42 0.25 0.00 -1.93 0.00 0.00 57.85 56.81 1pnb n ARG 7 Cb 0.63 -1.30 0.46 0.00 -1.16 0.00 0.00 32.46 31.09 1pnb n ARG 7 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1pnb n GLU 8 N -1.75 -0.05 0.04 5.56 4.71 0.43 0.29 120.64 129.87 1pnb n GLU 8 Ca 0.00 1.20 -0.04 0.00 -0.01 0.00 0.00 57.16 58.32 1pnb n GLU 8 Cb 0.00 -2.12 -0.02 0.00 -1.01 0.00 0.00 31.44 28.29 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 -0.33 0.02 -0.32 3.57 -1.11 -1.00 116.94 117.77 1pnb h PHE 9 Ca 0.69 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.14 1pnb h PHE 9 Cb 1.78 0.13 0.01 0.00 2.79 0.00 0.00 35.95 40.66 1pnb h PHE 9 CO -0.09 -0.14 -0.23 0.37 -2.23 0.00 0.00 178.31 176.00 1pnb h GLN 10 N -0.18 0.12 -1.30 1.11 4.15 -0.49 -3.17 115.11 115.36 1pnb h GLN 10 Ca -0.01 -0.16 0.46 0.00 0.77 0.00 0.00 58.65 59.72 1pnb h GLN 10 Cb 0.17 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 27.77 1pnb h GLN 10 CO -0.05 0.97 0.81 0.37 -1.93 0.00 0.00 178.83 179.00 1pnb h GLN 11 N -0.64 0.02 0.00 1.69 -0.00 0.43 -3.05 115.11 113.55 1pnb h GLN 11 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1pnb h GLN 11 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.54 1pnb h GLN 11 CO 0.04 0.01 0.00 0.39 0.00 0.00 0.00 178.83 179.28 1pnb n GLU 12 N -4.84 0.00 0.00 1.69 -0.58 -0.38 -4.99 120.64 111.54 1pnb n GLU 12 Ca 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1pnb n GLU 12 Cb 1.49 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 32.28 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 -1.15 -5.10 117.38 120.64 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 -0.97 1.08 8.25 -1.20 -4.61 115.22 117.77 1pnb n HIS 14 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1pnb n HIS 14 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -4.84 -0.03 2.41 7.99 -1.26 -4.95 117.00 116.31 1pnb n LEU 15 Ca 0.00 0.15 -0.06 0.00 -0.01 0.00 0.00 56.01 56.08 1pnb n LEU 15 Cb 0.00 -0.75 -0.03 0.00 -0.11 0.00 0.00 43.42 42.54 1pnb n LEU 15 CO 0.00 -5.03 -0.73 0.54 -1.51 0.00 0.00 177.39 170.66 1pnb n ARG 16 N 2.03 0.15 -0.31 3.23 1.74 -1.26 -4.35 116.66 117.89 1pnb n ARG 16 Ca -0.01 0.06 0.35 0.00 -0.77 0.00 0.00 57.85 57.48 1pnb n ARG 16 Cb 0.60 -0.89 0.74 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.16 3.10 0.02 7.54 0.00 -1.99 3.23 119.26 131.00 1pnb h ALA 17 Ca -0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1pnb h ALA 17 Cb 1.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1pnb h ALA 17 CO -0.08 -1.52 -1.00 0.00 0.00 0.00 0.00 179.25 176.66 1pnb n GLN 19 N -3.44 -0.01 0.00 0.00 0.00 1.08 -0.49 117.38 114.52 1pnb n GLN 19 Ca -0.02 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 1pnb n GLN 19 Cb 0.92 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1pnb n GLN 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1pnb n GLN 20 N -3.80 0.00 0.13 3.69 6.02 -1.23 -1.30 117.38 120.88 1pnb n GLN 20 Ca 0.32 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 57.22 1pnb n GLN 20 Cb 1.38 -0.80 -0.06 0.00 1.02 0.00 0.00 30.24 31.77 1pnb n GLN 20 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1pnb h TRP 21 N 0.00 -0.95 -0.50 1.08 7.01 -1.49 1.89 115.95 122.99 1pnb h TRP 21 Ca 0.00 0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.16 1pnb h TRP 21 Cb 0.00 0.39 -0.09 0.00 -2.10 0.00 0.00 29.16 27.35 1pnb h TRP 21 CO 0.00 -0.41 0.05 0.44 -2.79 0.00 0.00 178.44 175.73 1pnb n ILE 22 N -4.38 -0.21 -0.00 2.65 -6.64 0.36 0.34 119.36 111.48 1pnb n ILE 22 Ca -0.07 1.10 -0.00 0.00 -1.77 0.00 0.00 62.75 62.01 1pnb n ILE 22 Cb 0.28 -1.63 -0.00 0.00 -1.44 0.00 0.00 39.64 36.85 1pnb n ILE 22 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 1pnb h ARG 23 N 0.00 0.00 -1.00 6.28 2.43 0.18 -3.38 114.38 118.89 1pnb h ARG 23 Ca 0.32 0.00 0.39 0.00 -0.81 0.00 0.00 59.98 59.89 1pnb h ARG 23 Cb 0.70 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.07 1pnb h ARG 23 CO -0.46 0.00 0.47 0.37 -1.51 0.00 0.00 179.97 178.84 1pnb h GLN 24 N -0.00 0.02 -1.09 0.20 -0.00 0.43 0.88 115.11 115.55 1pnb h GLN 24 Ca 0.00 -0.00 0.43 0.00 -0.00 0.00 0.00 58.65 59.07 1pnb h GLN 24 Cb 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 27.48 27.32 1pnb h GLN 24 CO 0.00 0.01 0.64 0.94 0.00 0.00 0.00 178.83 180.42 1pnb n GLN 25 N -5.28 -0.05 -0.35 1.69 -0.06 1.02 0.92 117.38 115.28 1pnb n GLN 25 Ca 0.35 1.29 0.09 0.00 -2.00 0.00 0.00 57.00 56.74 1pnb n GLN 25 Cb 1.19 -2.39 0.20 0.00 -4.06 0.00 0.00 30.24 25.18 1pnb n GLN 25 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pnb n LEU 26 N -5.00 -0.26 -4.11 1.69 4.77 0.30 -4.47 117.00 109.93 1pnb n LEU 26 Ca 0.37 1.69 -0.36 0.00 -0.03 0.00 0.00 56.01 57.68 1pnb n LEU 26 Cb 1.34 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 41.95 1pnb n LEU 26 CO 0.07 -1.65 -1.36 0.00 -1.33 0.00 0.00 177.39 173.11 1pnb n ALA 27 N -3.45 -5.01 0.00 -1.18 0.00 0.26 -4.88 120.51 106.25 1pnb n ALA 27 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1pnb n ALA 27 Cb 0.60 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 2.94 0.00 2.79 0.00 0.00 -1.26 -5.10 105.19 104.56 1pnb n GLY 28 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1pnb n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pnb s SER 29 N 0.00 -0.45 0.16 1.61 1.04 -1.26 -5.15 113.70 109.65 1pnb s SER 29 Ca 0.00 -0.27 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1pnb s SER 29 Cb 0.00 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1pnb s SER 29 CO 0.00 -0.04 1.13 -2.16 0.98 0.00 0.00 173.24 173.14 1pnb s PRO 30 N 1.80 4.55 0.00 4.02 0.04 -1.26 -5.30 135.00 138.85 1pnb s PRO 30 Ca 0.16 1.75 0.32 0.00 0.04 0.00 0.00 61.00 63.26 1pnb s PRO 30 Cb 0.04 -3.28 1.82 0.00 0.04 0.00 0.00 34.50 33.12 1pnb s PRO 30 CO -0.13 -0.00 2.18 1.97 0.04 0.00 0.00 177.00 181.05