#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 -4.49 119.36 118.41 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 0.00 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 0.17 0.21 1.08 7.39 0.00 -1.26 -4.96 105.19 107.83 1fqq n GLY 3 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.31 0.06 1.61 9.92 -1.26 -4.63 116.55 121.93 1fqq n ASP 4 Ca 0.00 -1.69 -0.07 0.00 -0.53 0.00 0.00 54.79 52.49 1fqq n ASP 4 Cb 0.00 0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 41.09 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1fqq h PRO 5 N 0.00 -0.25 0.13 -0.24 0.13 -1.93 0.77 132.00 130.62 1fqq h PRO 5 Ca -0.08 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1fqq h PRO 5 Cb 0.40 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1fqq h PRO 5 CO 0.12 0.03 -0.06 0.28 -0.23 0.00 0.00 178.00 178.13 1fqq h VAL 6 N -1.00 0.00 -1.38 1.56 2.07 -1.98 -3.27 116.25 112.25 1fqq h VAL 6 Ca -0.03 -0.80 0.40 0.00 0.82 0.00 0.00 66.70 67.09 1fqq h VAL 6 Cb 0.39 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1fqq h VAL 6 CO 0.04 0.00 1.04 0.74 0.02 0.00 0.00 177.57 179.41 1fqq h THR 7 N -0.98 0.25 -0.75 2.57 2.02 -1.95 0.85 112.91 114.93 1fqq h THR 7 Ca -0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.31 1fqq h THR 7 Cb 0.13 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.71 1fqq h THR 7 CO 0.03 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.19 1fqq h LEU 9 N 0.39 0.58 -2.73 0.00 3.38 0.59 0.27 115.31 117.80 1fqq h LEU 9 Ca 0.42 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fqq h LEU 9 Cb 0.67 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1fqq h LEU 9 CO -0.43 0.92 0.02 0.50 0.09 0.00 0.00 178.44 179.54 1fqq h LYS 10 N 0.45 0.00 -0.49 1.13 1.63 0.07 0.61 116.57 119.97 1fqq h LYS 10 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1fqq h LYS 10 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1fqq h LYS 10 CO 0.08 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.51 1fqq n SER 11 N -3.39 3.48 -0.23 4.20 7.64 -0.15 -4.92 113.62 120.24 1fqq n SER 11 Ca -0.03 -1.97 -0.03 0.00 1.01 0.00 0.00 58.87 57.86 1fqq n SER 11 Cb 0.10 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.34 0.49 3.67 0.23 0.00 0.21 -4.51 105.19 106.63 1fqq n GLY 12 Ca 0.19 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.69 3.63 0.83 4.61 0.00 0.89 -4.67 121.76 125.36 1fqq s ALA 13 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1fqq s ALA 13 Cb 0.00 -3.76 0.09 0.00 0.00 0.00 0.00 23.12 19.45 1fqq s ALA 13 CO 0.00 -1.36 1.10 0.96 0.00 0.00 0.00 175.76 176.46 1fqq s ILE 14 N 3.74 2.90 -0.28 0.00 -4.36 0.47 -4.31 121.20 119.36 1fqq s ILE 14 Ca 0.78 0.29 -0.07 0.00 -0.26 0.00 0.00 60.65 61.39 1fqq s ILE 14 Cb -0.38 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 1fqq s ILE 14 CO 0.34 -0.38 0.09 0.00 0.24 0.00 0.00 174.94 175.22 1fqq s HIS 16 N 1.57 -0.32 -1.15 0.00 -3.43 -0.46 -5.02 115.29 106.49 1fqq s HIS 16 Ca 0.05 0.20 -0.21 0.00 -0.80 0.00 0.00 55.06 54.29 1fqq s HIS 16 Cb -0.16 -0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 30.63 1fqq s HIS 16 CO 0.03 -0.65 1.78 -1.25 -2.00 0.00 0.00 174.74 172.66 1fqq s PRO 17 N 2.34 3.20 0.00 -0.38 0.04 -1.26 -1.34 135.00 137.60 1fqq s PRO 17 Ca 0.08 -1.30 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1fqq s PRO 17 Cb -0.16 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.05 1fqq s PRO 17 CO -0.15 -2.99 0.00 1.33 0.04 0.00 0.00 177.00 175.23 1fqq n VAL 18 N 7.18 0.00 -4.30 -0.36 0.24 -1.26 -4.93 118.33 114.89 1fqq n VAL 18 Ca 0.43 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.59 1fqq n VAL 18 Cb 0.47 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 0.21 -3.74 6.34 1.16 -1.26 -4.68 117.46 115.49 1fqq n PHE 19 Ca 0.00 -1.40 -0.36 0.00 -1.87 0.00 0.00 57.45 53.82 1fqq n PHE 19 Cb 0.00 -0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 37.72 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 0.43 0.52 0.35 0.00 0.04 -1.26 -4.83 135.00 130.25 1fqq s PRO 21 Ca 0.13 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1fqq s PRO 21 Cb -0.21 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1fqq s PRO 21 CO -0.04 -2.57 0.00 0.54 0.04 0.00 0.00 177.00 174.97 1fqq n ARG 22 N -3.98 -2.36 0.00 4.56 3.00 -1.26 -3.76 116.66 112.86 1fqq n ARG 22 Ca 0.10 1.72 0.00 0.00 -0.01 0.00 0.00 57.85 59.66 1fqq n ARG 22 Cb 0.59 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.22 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 -3.80 0.69 -1.46 5.56 1.74 -1.26 -4.81 116.66 113.32 1fqq n ARG 23 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 1fqq n ARG 23 Cb 0.51 -1.20 0.10 0.00 -1.02 0.00 0.00 32.46 30.85 1fqq n ARG 23 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1fqq s TYR 24 N -1.42 2.70 0.20 -1.55 5.04 -1.25 -4.45 117.35 116.63 1fqq s TYR 24 Ca 0.00 1.19 -0.22 0.00 -2.44 0.00 0.00 57.07 55.60 1fqq s TYR 24 Cb 0.00 -3.13 0.05 0.00 0.35 0.00 0.00 41.96 39.23 1fqq s TYR 24 CO 0.00 -1.92 0.63 0.21 -1.34 0.00 0.00 175.55 173.13 1fqq s LYS 25 N -5.09 1.45 0.00 4.97 2.20 0.94 -4.86 119.74 119.35 1fqq s LYS 25 Ca 0.61 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1fqq s LYS 25 Cb -0.15 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1fqq s LYS 25 CO 0.55 -0.65 0.00 0.94 -0.36 0.00 0.00 175.35 175.83 1fqq n GLN 26 N -0.40 0.00 -1.54 4.03 -0.06 -1.26 0.38 117.38 118.52 1fqq n GLN 26 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 1fqq n GLN 26 Cb 0.63 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.81 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 -3.17 1.69 5.41 -0.60 -4.79 119.36 117.90 1fqq n ILE 27 Ca 0.00 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 1fqq n ILE 27 Cb 0.00 -1.57 0.05 0.00 -0.71 0.00 0.00 39.64 37.40 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 -2.52 1.85 0.26 7.39 0.00 0.27 -4.56 107.32 110.00 1fqq s GLY 28 Ca 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 42.75 1fqq s GLY 28 CO 0.00 -1.71 0.13 2.41 0.00 0.00 0.00 173.10 173.93 1fqq n THR 29 N -2.13 0.00 -3.06 0.90 -1.04 0.27 -0.50 114.28 108.71 1fqq n THR 29 Ca 0.12 -1.08 -0.07 0.00 -2.04 0.00 0.00 64.05 60.99 1fqq n THR 29 Cb 0.62 -0.10 -0.02 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 3.62 0.25 3.75 0.00 0.00 -1.26 -4.62 105.19 106.93 1fqq n GLY 31 Ca 0.16 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 1fqq n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fqq s LEU 32 N 0.00 3.78 0.62 0.99 0.05 -1.26 -4.98 118.68 117.89 1fqq s LEU 32 Ca 0.00 2.68 -0.14 0.00 0.05 0.00 0.00 54.13 56.72 1fqq s LEU 32 Cb 0.00 -4.37 -0.02 0.00 -2.05 0.00 0.00 46.19 39.74 1fqq s LEU 32 CO 0.00 -1.64 1.05 -2.16 -0.55 0.00 0.00 176.35 173.05 1fqq s PRO 33 N -3.03 3.24 0.00 1.48 0.04 -1.26 -3.62 135.00 131.85 1fqq s PRO 33 Ca 0.74 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1fqq s PRO 33 Cb -0.38 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1fqq s PRO 33 CO 0.44 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1fqq n GLY 34 N -1.40 0.60 3.81 0.56 0.00 -1.26 -5.03 105.19 102.48 1fqq n GLY 34 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1fqq n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fqq s THR 35 N -2.17 4.20 -0.34 2.61 -4.23 -1.24 -4.40 115.64 110.07 1fqq s THR 35 Ca 0.00 1.33 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 1fqq s THR 35 Cb 0.00 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.38 1fqq s THR 35 CO 0.00 -0.33 0.05 -0.54 -0.54 0.00 0.00 174.62 173.26 1fqq s LYS 36 N -3.29 1.72 -0.21 3.99 3.01 -0.45 -4.62 119.74 119.89 1fqq s LYS 36 Ca 0.63 -1.77 -0.10 0.00 -1.01 0.00 0.00 55.97 53.73 1fqq s LYS 36 Cb -0.12 -3.23 -0.05 0.00 -1.01 0.00 0.00 37.83 33.43 1fqq s LYS 36 CO 0.17 -0.90 0.13 0.00 0.51 0.00 0.00 175.35 175.27 1fqq n LYS 39 N 2.89 0.73 -1.50 0.00 -0.00 0.16 0.18 118.16 120.62 1fqq n LYS 39 Ca -0.15 -1.84 -0.46 0.00 -0.00 0.00 0.00 58.31 55.86 1fqq n LYS 39 Cb 0.55 1.02 -0.02 0.00 -0.00 0.00 0.00 35.03 36.58 1fqq n LYS 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fqq n LYS 40 N -0.48 0.71 0.00 -1.58 4.81 -1.25 -0.04 118.16 120.32 1fqq n LYS 40 Ca -0.03 0.25 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1fqq n LYS 40 Cb 0.33 -1.46 0.71 0.00 0.02 0.00 0.00 35.03 34.63 1fqq n LYS 40 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22