#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 0.00 0.00 -0.61 5.41 -1.26 -4.76 119.36 118.14 1fqq n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1fqq n ILE 2 Cb 0.00 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 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 0.33 -0.61 1.52 7.39 0.00 -1.26 -4.46 105.19 108.10 1fqq n GLY 3 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1fqq n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fqq n ASP 4 N 0.00 0.17 0.14 1.61 8.00 -1.21 -3.60 116.55 121.66 1fqq n ASP 4 Ca 0.00 -2.02 0.13 0.00 0.71 0.00 0.00 54.79 53.61 1fqq n ASP 4 Cb 0.00 0.67 0.45 0.00 -0.02 0.00 0.00 41.12 42.22 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1fqq h PRO 5 N 0.00 0.00 0.00 -0.24 0.13 0.20 -2.18 132.00 129.91 1fqq h PRO 5 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1fqq h PRO 5 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1fqq h PRO 5 CO 0.19 0.00 -0.27 0.28 -0.23 0.00 0.00 178.00 177.96 1fqq n VAL 6 N -2.36 0.77 -0.31 1.56 0.31 -1.26 -4.60 118.33 112.43 1fqq n VAL 6 Ca 0.04 0.26 0.29 0.00 -0.01 0.00 0.00 64.34 64.92 1fqq n VAL 6 Cb 0.34 -1.64 0.64 0.00 -0.91 0.00 0.00 33.84 32.27 1fqq n VAL 6 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1fqq h THR 7 N -0.27 0.46 -0.97 2.52 2.02 -1.96 0.88 112.91 115.59 1fqq h THR 7 Ca 0.00 -0.06 0.18 0.00 0.77 0.00 0.00 66.41 67.30 1fqq h THR 7 Cb 0.27 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1fqq h THR 7 CO 0.00 0.03 0.61 0.00 0.37 0.00 0.00 175.52 176.53 1fqq h LEU 9 N 0.68 0.69 -1.89 0.00 3.38 0.59 -1.43 115.31 117.33 1fqq h LEU 9 Ca 0.53 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1fqq h LEU 9 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1fqq h LEU 9 CO -0.30 1.13 0.25 0.50 0.09 0.00 0.00 178.44 180.11 1fqq h LYS 10 N 0.46 0.13 0.00 1.13 1.63 0.26 0.60 116.57 120.78 1fqq h LYS 10 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1fqq h LYS 10 Cb 1.17 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1fqq h LYS 10 CO 0.12 0.09 -0.43 0.43 -3.45 0.00 0.00 179.45 176.21 1fqq n SER 11 N -4.46 0.46 -1.19 4.20 7.64 -0.38 -4.93 113.62 114.95 1fqq n SER 11 Ca 0.05 -0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 1fqq n SER 11 Cb 0.34 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fqq n GLY 12 N 1.46 0.04 3.77 0.23 0.00 0.21 -4.77 105.19 106.13 1fqq n GLY 12 Ca 0.05 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.58 3.55 0.75 4.61 0.00 -0.58 -4.18 121.76 123.33 1fqq s ALA 13 Ca 0.04 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1fqq s ALA 13 Cb -0.02 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.54 1fqq s ALA 13 CO 0.05 0.66 1.10 0.96 0.00 0.00 0.00 175.76 178.53 1fqq s ILE 14 N -1.11 3.19 -0.28 0.00 -4.36 0.60 -4.39 121.20 114.85 1fqq s ILE 14 Ca 0.20 0.39 -0.08 0.00 -0.26 0.00 0.00 60.65 60.90 1fqq s ILE 14 Cb -0.12 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 1fqq s ILE 14 CO 0.10 -0.51 0.09 0.00 0.24 0.00 0.00 174.94 174.87 1fqq s HIS 16 N 1.56 -0.68 0.63 0.00 -0.00 -0.66 -5.01 115.29 111.14 1fqq s HIS 16 Ca 0.04 1.50 -0.14 0.00 -0.00 0.00 0.00 55.06 56.46 1fqq s HIS 16 Cb -0.16 0.31 -0.02 0.00 -0.00 0.00 0.00 32.58 32.70 1fqq s HIS 16 CO 0.04 -0.35 1.05 -1.25 -0.00 0.00 0.00 174.74 174.23 1fqq s PRO 17 N 0.97 3.21 1.34 -0.38 0.04 -1.26 -0.75 135.00 138.17 1fqq s PRO 17 Ca -0.06 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1fqq s PRO 17 Cb -0.06 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1fqq s PRO 17 CO -0.09 -0.89 0.00 1.33 0.04 0.00 0.00 177.00 177.40 1fqq n VAL 18 N -2.46 0.00 -0.46 -0.36 0.24 -1.26 -4.83 118.33 109.20 1fqq n VAL 18 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 1fqq n VAL 18 Cb 0.53 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 33.02 1fqq n VAL 18 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fqq n PHE 19 N -0.60 -2.29 -3.81 6.34 3.72 -1.26 -4.41 117.46 115.15 1fqq n PHE 19 Ca 0.00 -0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1fqq n PHE 19 Cb 0.00 -1.20 -0.13 0.00 -0.94 0.00 0.00 39.48 37.21 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fqq s PRO 21 N 1.55 1.11 0.50 0.00 0.04 -1.26 -4.89 135.00 132.05 1fqq s PRO 21 Ca 0.06 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1fqq s PRO 21 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1fqq s PRO 21 CO 0.01 -2.21 0.00 0.54 0.04 0.00 0.00 177.00 175.38 1fqq n ARG 22 N -3.78 -2.96 0.00 4.56 3.00 -1.26 -3.95 116.66 112.28 1fqq n ARG 22 Ca 0.07 2.29 0.00 0.00 -0.01 0.00 0.00 57.85 60.20 1fqq n ARG 22 Cb 0.59 -3.50 0.00 0.00 0.00 0.00 0.00 32.46 29.55 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 -4.17 0.88 0.00 5.56 1.74 -1.26 -4.80 116.66 114.61 1fqq n ARG 23 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1fqq n ARG 23 Cb 0.63 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.11 -0.43 -3.30 -1.55 9.36 -1.25 -4.76 117.16 115.34 1fqq n TYR 24 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1fqq n TYR 24 Cb 0.24 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.89 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 0.40 0.26 2.98 2.20 0.06 -4.70 119.74 120.94 1fqq s LYS 25 Ca 0.00 0.64 0.06 0.00 -0.36 0.00 0.00 55.97 56.31 1fqq s LYS 25 Cb 0.00 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.05 1fqq s LYS 25 CO 0.00 -0.64 0.27 1.14 -0.36 0.00 0.00 175.35 175.76 1fqq s GLN 26 N 2.62 3.11 0.00 4.03 0.00 -1.26 0.68 119.66 128.83 1fqq s GLN 26 Ca 0.15 -0.96 0.00 0.00 -0.00 0.00 0.00 55.36 54.54 1fqq s GLN 26 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 33.01 30.17 1fqq s GLN 26 CO -0.17 0.38 0.02 0.44 0.00 0.00 0.00 175.29 175.96 1fqq n ILE 27 N -1.29 0.00 -3.54 3.63 -5.35 -0.53 -4.94 119.36 107.33 1fqq n ILE 27 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1fqq n ILE 27 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1fqq n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fqq n GLY 28 N 0.00 4.02 0.00 3.28 0.00 -1.06 -4.73 105.19 106.69 1fqq n GLY 28 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1fqq n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fqq n THR 29 N 0.00 0.00 0.00 2.61 -2.24 -1.24 0.22 114.28 113.64 1fqq n THR 29 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fqq n THR 29 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1fqq n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fqq n GLY 31 N 2.65 1.30 0.00 0.00 0.00 -1.26 0.20 105.19 108.07 1fqq n GLY 31 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1fqq n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fqq n LEU 32 N 0.00 0.00 -4.02 0.99 4.77 -1.26 -4.61 117.00 112.86 1fqq n LEU 32 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1fqq n LEU 32 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1fqq n LEU 32 CO 0.00 -0.93 2.14 -0.81 -1.33 0.00 0.00 177.39 176.46 1fqq n PRO 33 N -0.63 2.25 -1.86 3.23 -0.04 -1.26 -4.03 135.00 132.66 1fqq n PRO 33 Ca 0.00 -2.47 -0.01 0.00 -0.04 0.00 0.00 63.50 60.98 1fqq n PRO 33 Cb 0.00 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.17 1fqq n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fqq n GLY 34 N 4.81 -0.20 3.86 0.55 0.00 -1.26 -5.00 105.19 107.95 1fqq n GLY 34 Ca 0.49 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1fqq n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqq s THR 35 N -3.03 2.00 -0.19 2.61 2.01 -1.26 -4.42 115.64 113.36 1fqq s THR 35 Ca 0.03 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1fqq s THR 35 Cb -0.00 -2.90 0.06 0.00 0.01 0.00 0.00 72.50 69.66 1fqq s THR 35 CO 0.17 0.00 0.01 -0.54 -0.69 0.00 0.00 174.62 173.57 1fqq s LYS 36 N -5.48 0.88 -0.27 4.92 -0.14 0.07 -4.37 119.74 115.35 1fqq s LYS 36 Ca 0.63 -0.50 -0.13 0.00 -1.36 0.00 0.00 55.97 54.62 1fqq s LYS 36 Cb -0.12 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 1fqq s LYS 36 CO 0.51 -0.60 0.27 0.00 -0.76 0.00 0.00 175.35 174.77 1fqq n LYS 39 N 2.68 0.71 -2.03 0.00 -0.00 0.21 0.22 118.16 119.95 1fqq n LYS 39 Ca -0.17 -3.52 -0.41 0.00 -0.00 0.00 0.00 58.31 54.21 1fqq n LYS 39 Cb 0.52 1.35 -0.02 0.00 -0.00 0.00 0.00 35.03 36.88 1fqq n LYS 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1fqq s LYS 40 N -3.68 4.28 0.00 -1.58 2.20 -1.26 -0.76 119.74 118.95 1fqq s LYS 40 Ca 0.09 2.28 0.24 0.00 -0.36 0.00 0.00 55.97 58.22 1fqq s LYS 40 Cb 0.00 -3.10 1.44 0.00 -1.51 0.00 0.00 37.83 34.66 1fqq s LYS 40 CO 0.06 -0.38 1.80 -0.35 -0.36 0.00 0.00 175.35 176.12