#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 1.09 -0.13 -0.61 5.41 -1.26 -4.11 119.36 119.75 1fqq n ILE 2 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.48 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 1.35 0.85 3.39 7.39 0.00 -1.26 -5.09 105.19 111.83 1fqq n GLY 3 Ca 0.13 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.96 1.40 -0.08 1.61 -4.77 -1.26 -4.99 116.67 106.63 1fqq s ASP 4 Ca 0.00 -1.66 -0.22 0.00 -3.30 0.00 0.00 52.55 47.36 1fqq s ASP 4 Cb 0.00 0.63 -0.18 0.00 -1.09 0.00 0.00 42.92 42.28 1fqq s ASP 4 CO 0.00 -1.21 0.84 1.55 0.70 0.00 0.00 175.17 177.05 1fqq h PRO 5 N 2.09 -0.09 0.00 2.11 0.13 -1.87 -2.92 132.00 131.45 1fqq h PRO 5 Ca -0.26 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1fqq h PRO 5 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1fqq h PRO 5 CO 0.37 0.47 0.00 0.28 -0.23 0.00 0.00 178.00 178.89 1fqq n VAL 6 N -4.81 0.00 -0.37 1.56 0.31 -1.20 -3.44 118.33 110.38 1fqq n VAL 6 Ca -0.08 0.51 0.36 0.00 -0.01 0.00 0.00 64.34 65.11 1fqq n VAL 6 Cb 0.30 -1.33 0.55 0.00 -0.91 0.00 0.00 33.84 32.45 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 -1.70 0.00 -0.59 2.52 -1.04 -1.26 0.76 114.28 112.97 1fqq n THR 7 Ca 0.00 1.30 0.47 0.00 -2.04 0.00 0.00 64.05 63.78 1fqq n THR 7 Cb 0.00 -2.27 0.76 0.00 -1.82 0.00 0.00 70.33 67.00 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 0.00 0.33 -1.83 0.00 4.07 0.15 1.41 115.31 119.45 1fqq h LEU 9 Ca 0.82 -0.92 0.53 0.00 0.08 0.00 0.00 57.88 58.39 1fqq h LEU 9 Cb 3.46 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 45.02 1fqq h LEU 9 CO -0.01 1.36 1.37 1.17 -1.08 0.00 0.00 178.44 181.25 1fqq n LYS 10 N -4.20 0.00 0.00 1.13 3.00 0.78 -4.13 118.16 114.74 1fqq n LYS 10 Ca -0.16 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1fqq n LYS 10 Cb 0.76 -2.44 0.00 0.00 0.00 0.00 0.00 35.03 33.35 1fqq n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1fqq n SER 11 N -3.79 0.00 -0.07 3.14 2.88 -0.96 -5.05 113.62 109.77 1fqq n SER 11 Ca 0.41 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1fqq n SER 11 Cb 1.92 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 65.29 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 0.00 -0.46 0.00 0.46 0.00 0.41 -4.90 105.19 100.71 1fqq n GLY 12 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq n ALA 13 N -2.72 0.00 -1.78 4.61 0.00 0.26 -4.38 120.51 116.50 1fqq n ALA 13 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1fqq n ALA 13 Cb 0.88 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.35 1fqq n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1fqq s ILE 14 N -2.00 4.50 -0.29 0.00 -4.36 0.25 -4.31 121.20 114.99 1fqq s ILE 14 Ca 0.00 0.83 -0.07 0.00 -0.26 0.00 0.00 60.65 61.15 1fqq s ILE 14 Cb 0.00 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.98 1fqq s ILE 14 CO 0.00 -1.04 0.09 0.00 0.24 0.00 0.00 174.94 174.23 1fqq s HIS 16 N 1.55 -0.10 -1.17 0.00 -3.43 -0.72 -4.93 115.29 106.50 1fqq s HIS 16 Ca 0.04 0.49 -0.12 0.00 -0.80 0.00 0.00 55.06 54.67 1fqq s HIS 16 Cb -0.17 -0.31 -0.07 0.00 -1.43 0.00 0.00 32.58 30.61 1fqq s HIS 16 CO 0.03 -0.24 2.30 -0.35 -2.00 0.00 0.00 174.74 174.49 1fqq n PRO 17 N 5.21 2.51 0.00 -0.38 -0.04 -1.26 -0.17 135.00 140.87 1fqq n PRO 17 Ca -0.06 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1fqq n PRO 17 Cb 0.50 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1fqq n PRO 17 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1fqq n VAL 18 N 4.64 0.00 -0.98 0.52 0.24 -1.26 -4.98 118.33 116.50 1fqq n VAL 18 Ca 0.56 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.49 1fqq n VAL 18 Cb 0.27 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.69 1fqq n VAL 18 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 1fqq n PHE 19 N -0.54 -4.40 -2.86 6.34 1.16 -1.26 -4.48 117.46 111.42 1fqq n PHE 19 Ca 0.00 0.08 -0.42 0.00 -1.87 0.00 0.00 57.45 55.23 1fqq n PHE 19 Cb 0.00 -1.45 -0.04 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 3.38 0.83 0.38 0.00 0.04 -1.26 -4.86 135.00 133.50 1fqq s PRO 21 Ca 0.36 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1fqq s PRO 21 Cb -0.12 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1fqq s PRO 21 CO 0.19 -2.39 0.00 0.54 0.04 0.00 0.00 177.00 175.38 1fqq n ARG 22 N -3.88 -2.55 0.00 4.56 5.12 -1.26 -3.63 116.66 115.02 1fqq n ARG 22 Ca 0.08 1.87 0.00 0.00 -1.93 0.00 0.00 57.85 57.87 1fqq n ARG 22 Cb 0.59 -3.14 0.00 0.00 -1.16 0.00 0.00 32.46 28.76 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fqq n ARG 23 N -3.84 0.84 0.00 5.56 1.74 -1.26 -4.81 116.66 114.88 1fqq n ARG 23 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1fqq n ARG 23 Cb 0.65 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 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 0.13 -0.98 -3.53 -1.55 9.36 -1.24 -4.79 117.16 114.57 1fqq n TYR 24 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1fqq n TYR 24 Cb 0.23 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.14 0.34 0.13 2.98 2.20 -0.07 -4.80 119.74 120.38 1fqq s LYS 25 Ca 0.00 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 56.53 1fqq s LYS 25 Cb 0.00 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1fqq s LYS 25 CO 0.00 -0.40 0.01 1.14 -0.36 0.00 0.00 175.35 175.74 1fqq s GLN 26 N 2.60 2.52 0.00 4.03 0.00 -1.26 0.52 119.66 128.07 1fqq s GLN 26 Ca 0.04 -0.94 0.00 0.00 -0.00 0.00 0.00 55.36 54.46 1fqq s GLN 26 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 33.01 30.40 1fqq s GLN 26 CO -0.14 0.50 0.30 0.44 0.00 0.00 0.00 175.29 176.39 1fqq n ILE 27 N 0.21 0.00 -3.64 3.63 -6.64 -0.17 -4.94 119.36 107.81 1fqq n ILE 27 Ca -0.10 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.87 1fqq n ILE 27 Cb 0.53 0.00 -0.00 0.00 -1.44 0.00 0.00 39.64 38.73 1fqq n ILE 27 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1fqq n GLY 28 N 0.00 3.19 0.00 3.28 0.00 -1.07 -4.94 105.19 105.65 1fqq n GLY 28 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1fqq n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fqq n THR 29 N -0.03 0.00 -0.01 2.61 -1.04 -1.26 0.47 114.28 115.03 1fqq n THR 29 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1fqq n THR 29 Cb 0.03 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 2.13 3.90 0.15 0.00 0.00 -1.26 -3.26 105.19 106.85 1fqq n GLY 31 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00-10.12 0.99 8.10 -2.00 -3.45 115.31 108.84 1fqq h LEU 32 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.51 1fqq h LEU 32 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 40.66 40.26 1fqq h LEU 32 CO 0.00 0.54 0.38 -2.16 -4.11 0.00 0.00 178.44 173.09 1fqq s PRO 33 N -3.67 3.66 0.00 0.17 0.04 -1.26 -4.90 135.00 129.04 1fqq s PRO 33 Ca -0.01 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1fqq s PRO 33 Cb 0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1fqq s PRO 33 CO 0.74 -0.54 1.39 0.41 0.04 0.00 0.00 177.00 179.04 1fqq n GLY 34 N -0.55 1.96 3.15 0.56 0.00 -1.26 -4.29 105.19 104.75 1fqq n GLY 34 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 1.37 0.00 -4.06 2.61 -2.24 -1.26 -4.82 114.28 105.88 1fqq n THR 35 Ca 0.00 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1fqq n THR 35 Cb 0.39 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.59 2.54 -0.52 -0.78 -0.14 0.76 -4.44 119.74 113.57 1fqq s LYS 36 Ca 0.48 -1.15 -0.18 0.00 -1.36 0.00 0.00 55.97 53.76 1fqq s LYS 36 Cb -0.09 -2.83 0.08 0.00 -1.68 0.00 0.00 37.83 33.31 1fqq s LYS 36 CO 0.50 -0.45 0.58 0.00 -0.76 0.00 0.00 175.35 175.22 1fqq s LYS 39 N -0.12 1.89 0.30 0.00 2.47 0.18 0.84 119.74 125.30 1fqq s LYS 39 Ca -0.05 -2.14 -0.29 0.00 -1.56 0.00 0.00 55.97 51.93 1fqq s LYS 39 Cb -0.14 -0.69 -0.10 0.00 -1.46 0.00 0.00 37.83 35.44 1fqq s LYS 39 CO 0.04 -0.42 1.39 -1.59 0.16 0.00 0.00 175.35 174.92 1fqq s LYS 40 N -3.75 4.29 0.00 4.03 0.00 -1.26 -0.89 119.74 122.15 1fqq s LYS 40 Ca 0.25 2.29 0.24 0.00 0.00 0.00 0.00 55.97 58.76 1fqq s LYS 40 Cb 0.04 -3.08 1.44 0.00 0.00 0.00 0.00 37.83 36.22 1fqq s LYS 40 CO 0.14 -0.33 1.80 -0.35 0.00 0.00 0.00 175.35 176.61