#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqq n ILE 2 N 0.00 0.19 0.00 -0.61 5.41 -1.25 -4.11 119.36 118.99 1fqq n ILE 2 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1fqq n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1fqq n ILE 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fqq n GLY 3 N 0.36 0.09 3.34 7.39 0.00 -1.26 -4.94 105.19 110.17 1fqq n GLY 3 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1fqq n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fqq s ASP 4 N -0.23 1.99 -0.07 1.61 -4.77 -1.25 -4.91 116.67 109.03 1fqq s ASP 4 Ca 0.00 -1.76 -0.19 0.00 -3.30 0.00 0.00 52.55 47.30 1fqq s ASP 4 Cb 0.00 0.57 -0.15 0.00 -1.09 0.00 0.00 42.92 42.25 1fqq s ASP 4 CO 0.00 -1.05 0.74 1.55 0.70 0.00 0.00 175.17 177.11 1fqq h PRO 5 N 2.03 -0.15 0.00 2.11 0.13 0.17 -2.99 132.00 133.30 1fqq h PRO 5 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1fqq h PRO 5 Cb 1.24 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fqq h PRO 5 CO 0.40 0.31 0.00 0.28 -0.23 0.00 0.00 178.00 178.77 1fqq n VAL 6 N -4.85 0.00 -0.46 1.56 0.31 -1.26 -3.69 118.33 109.94 1fqq n VAL 6 Ca -0.07 0.58 0.40 0.00 -0.01 0.00 0.00 64.34 65.23 1fqq n VAL 6 Cb 0.26 -1.56 0.61 0.00 -0.91 0.00 0.00 33.84 32.24 1fqq n VAL 6 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1fqq n THR 7 N -1.98 0.00 -0.32 2.52 -1.04 -1.26 0.20 114.28 112.40 1fqq n THR 7 Ca 0.00 1.30 0.14 0.00 -2.04 0.00 0.00 64.05 63.46 1fqq n THR 7 Cb 0.00 -2.23 0.33 0.00 -1.82 0.00 0.00 70.33 66.61 1fqq n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq h LEU 9 N 0.49 0.00 -1.96 0.00 3.38 0.36 0.91 115.31 118.49 1fqq h LEU 9 Ca 0.59 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.58 1fqq h LEU 9 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fqq h LEU 9 CO -0.50 0.35 0.37 0.50 0.09 0.00 0.00 178.44 179.25 1fqq h LYS 10 N 0.00 0.00 -0.19 1.13 1.63 0.31 1.54 116.57 120.99 1fqq h LYS 10 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fqq h LYS 10 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1fqq h LYS 10 CO 0.05 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.50 1fqq n SER 11 N -3.08 3.26 0.00 4.20 2.88 -0.87 -4.91 113.62 115.11 1fqq n SER 11 Ca 0.00 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1fqq n SER 11 Cb 0.45 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fqq n GLY 12 N -0.62 0.47 3.69 0.46 0.00 0.53 -4.63 105.19 105.08 1fqq n GLY 12 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq s ALA 13 N -2.09 3.43 0.49 4.61 0.00 0.26 -4.23 121.76 124.23 1fqq s ALA 13 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1fqq s ALA 13 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1fqq s ALA 13 CO 0.00 -0.48 0.75 0.96 0.00 0.00 0.00 175.76 176.99 1fqq s ILE 14 N 1.71 4.16 -0.26 0.00 -4.36 0.16 -1.28 121.20 121.34 1fqq s ILE 14 Ca 0.40 -0.21 -0.03 0.00 -0.26 0.00 0.00 60.65 60.55 1fqq s ILE 14 Cb -0.17 -3.58 0.02 0.00 1.25 0.00 0.00 42.46 39.98 1fqq s ILE 14 CO 0.15 -0.49 -0.03 0.00 0.24 0.00 0.00 174.94 174.82 1fqq s HIS 16 N 1.38 -0.15 0.73 0.00 -3.43 -0.67 -4.98 115.29 108.17 1fqq s HIS 16 Ca 0.01 0.36 -0.11 0.00 -0.80 0.00 0.00 55.06 54.52 1fqq s HIS 16 Cb -0.17 0.05 0.03 0.00 -1.43 0.00 0.00 32.58 31.06 1fqq s HIS 16 CO -0.03 -0.09 1.07 -1.25 -2.00 0.00 0.00 174.74 172.45 1fqq s PRO 17 N -0.01 2.61 1.61 -0.38 0.04 -1.26 -0.20 135.00 137.41 1fqq s PRO 17 Ca -0.01 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1fqq s PRO 17 Cb -0.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1fqq s PRO 17 CO 0.00 -1.30 0.00 0.28 0.04 0.00 0.00 177.00 176.02 1fqq n VAL 18 N -3.25 0.00 -0.73 -0.36 0.31 -1.26 -4.80 118.33 108.25 1fqq n VAL 18 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.17 1fqq n VAL 18 Cb 0.55 -0.04 0.10 0.00 -0.91 0.00 0.00 33.84 33.53 1fqq n VAL 18 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1fqq n PHE 19 N -1.71 -1.66 -3.64 3.52 1.16 -1.26 -4.37 117.46 109.50 1fqq n PHE 19 Ca 0.00 0.33 -0.39 0.00 -1.87 0.00 0.00 57.45 55.52 1fqq n PHE 19 Cb 0.05 -1.42 -0.12 0.00 -1.61 0.00 0.00 39.48 36.38 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fqq s PRO 21 N 1.60 0.51 0.48 0.00 0.04 -1.26 -4.91 135.00 131.46 1fqq s PRO 21 Ca 0.04 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1fqq s PRO 21 Cb -0.17 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1fqq s PRO 21 CO 0.06 -2.58 0.00 0.54 0.04 0.00 0.00 177.00 175.07 1fqq n ARG 22 N -3.98 -2.55 -0.09 4.56 3.00 -1.26 -4.21 116.66 112.13 1fqq n ARG 22 Ca 0.10 2.08 -0.01 0.00 -0.01 0.00 0.00 57.85 60.01 1fqq n ARG 22 Cb 0.59 -2.98 0.02 0.00 0.00 0.00 0.00 32.46 30.10 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1fqq n ARG 23 N -3.79 1.18 0.00 5.56 1.74 -1.26 -4.83 116.66 115.25 1fqq n ARG 23 Ca -0.07 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1fqq n ARG 23 Cb 0.52 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1fqq n ARG 23 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1fqq n TYR 24 N 0.25 0.00 -3.99 -1.55 9.36 -1.26 -4.75 117.16 115.22 1fqq n TYR 24 Ca 0.04 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 1fqq n TYR 24 Cb 0.49 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1fqq n TYR 24 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1fqq s LYS 25 N 0.00 1.85 2.06 2.98 2.47 0.22 -4.57 119.74 124.76 1fqq s LYS 25 Ca 0.00 -1.49 0.00 0.00 -1.56 0.00 0.00 55.97 52.92 1fqq s LYS 25 Cb 0.00 0.50 0.00 0.00 -1.46 0.00 0.00 37.83 36.87 1fqq s LYS 25 CO 0.00 -0.80 0.00 0.94 0.16 0.00 0.00 175.35 175.65 1fqq n GLN 26 N -0.49 0.00 -1.56 4.03 -0.06 -1.26 0.81 117.38 118.85 1fqq n GLN 26 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 1fqq n GLN 26 Cb 0.61 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.79 1fqq n GLN 26 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1fqq n ILE 27 N 0.00 0.00 -4.39 1.69 5.41 0.15 -4.98 119.36 117.24 1fqq n ILE 27 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1fqq n ILE 27 Cb 0.00 -1.25 -0.10 0.00 -0.71 0.00 0.00 39.64 37.59 1fqq n ILE 27 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1fqq s GLY 28 N -2.55 1.84 0.60 7.39 0.00 0.17 -4.71 107.32 110.05 1fqq s GLY 28 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1fqq s GLY 28 CO 0.00 -0.60 -0.18 2.41 0.00 0.00 0.00 173.10 174.72 1fqq n THR 29 N 2.07 0.00 0.01 0.90 -1.04 -1.25 0.20 114.28 115.17 1fqq n THR 29 Ca -0.18 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 1fqq n THR 29 Cb 0.53 -0.03 -0.01 0.00 -1.82 0.00 0.00 70.33 69.00 1fqq n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq n GLY 31 N 2.93 4.51 0.13 0.00 0.00 -1.26 0.19 105.19 111.68 1fqq n GLY 31 Ca -0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 1fqq n GLY 31 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1fqq h LEU 32 N 0.00 0.00-10.39 0.99 8.10 -2.00 -3.45 115.31 108.55 1fqq h LEU 32 Ca 0.00 0.00 -0.49 0.00 0.11 0.00 0.00 57.88 57.50 1fqq h LEU 32 Cb 0.00 0.00 0.11 0.00 -0.44 0.00 0.00 40.66 40.33 1fqq h LEU 32 CO 0.00 0.63 0.35 -2.16 -4.11 0.00 0.00 178.44 173.15 1fqq s PRO 33 N -3.35 2.30 0.00 0.17 0.04 -1.26 -4.89 135.00 128.00 1fqq s PRO 33 Ca 0.00 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1fqq s PRO 33 Cb 0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1fqq s PRO 33 CO 0.76 -1.49 1.25 0.41 0.04 0.00 0.00 177.00 177.97 1fqq n GLY 34 N -2.08 1.91 3.18 0.56 0.00 -1.26 -4.36 105.19 103.14 1fqq n GLY 34 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1fqq n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fqq n THR 35 N 1.09 0.00 -3.53 2.61 -2.24 -1.26 -4.58 114.28 106.38 1fqq n THR 35 Ca 0.00 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1fqq n THR 35 Cb 0.41 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 1fqq n THR 35 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fqq s LYS 36 N -3.46 0.35 -0.13 -0.78 -0.14 0.72 -3.80 119.74 112.50 1fqq s LYS 36 Ca 0.50 -0.85 -0.19 0.00 -1.36 0.00 0.00 55.97 54.07 1fqq s LYS 36 Cb -0.09 -1.27 -0.04 0.00 -1.68 0.00 0.00 37.83 34.75 1fqq s LYS 36 CO 0.56 -1.08 0.52 0.00 -0.76 0.00 0.00 175.35 174.58 1fqq s LYS 39 N -0.16 2.08 0.36 0.00 0.00 0.24 0.40 119.74 122.67 1fqq s LYS 39 Ca -0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 55.97 53.56 1fqq s LYS 39 Cb -0.11 -1.70 -0.10 0.00 0.00 0.00 0.00 37.83 35.93 1fqq s LYS 39 CO 0.02 -0.16 1.32 -1.59 0.00 0.00 0.00 175.35 174.93 1fqq s LYS 40 N -3.81 4.18 0.00 1.78 -2.85 -1.26 0.72 119.74 118.50 1fqq s LYS 40 Ca 0.29 2.22 0.24 0.00 -1.00 0.00 0.00 55.97 57.72 1fqq s LYS 40 Cb 0.06 -2.94 1.43 0.00 -2.06 0.00 0.00 37.83 34.32 1fqq s LYS 40 CO 0.15 -0.34 1.80 -0.35 0.10 0.00 0.00 175.35 176.71