#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 -4.06 119.36 118.84 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 0.00 0.62 1.00 7.39 0.00 -1.26 -5.11 105.19 107.83 1fqq n GLY 3 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.30 0.09 1.61 9.92 -1.26 -4.96 116.55 121.66 1fqq n ASP 4 Ca 0.00 -1.64 -0.06 0.00 -0.53 0.00 0.00 54.79 52.57 1fqq n ASP 4 Cb 0.00 0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.32 0.10 -0.24 0.13 -1.91 -3.00 132.00 126.76 1fqq h PRO 5 Ca -0.08 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1fqq h PRO 5 Cb 0.37 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1fqq h PRO 5 CO 0.11 -0.18 -0.05 0.28 -0.23 0.00 0.00 178.00 177.93 1fqq h VAL 6 N -1.08 0.00 -0.57 1.56 2.07 -1.86 -3.25 116.25 113.13 1fqq h VAL 6 Ca -0.03 -0.87 0.16 0.00 0.82 0.00 0.00 66.70 66.78 1fqq h VAL 6 Cb 0.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1fqq h VAL 6 CO 0.06 0.00 0.89 0.74 0.02 0.00 0.00 177.57 179.27 1fqq h THR 7 N -1.00 0.09 0.50 2.57 2.02 -1.98 0.67 112.91 115.78 1fqq h THR 7 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1fqq h THR 7 Cb 0.10 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1fqq h THR 7 CO 0.02 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.67 1fqq n LEU 9 N -5.36 0.17 -0.27 0.00 -0.00 0.23 -1.35 117.00 110.41 1fqq n LEU 9 Ca -0.12 0.54 0.26 0.00 -0.00 0.00 0.00 56.01 56.69 1fqq n LEU 9 Cb 0.29 -0.51 0.47 0.00 -0.00 0.00 0.00 43.42 43.67 1fqq n LEU 9 CO 0.36 -0.29 0.85 1.17 -0.00 0.00 0.00 177.39 179.48 1fqq n LYS 10 N -1.69 -0.04 0.00 1.47 3.00 -0.46 -4.50 118.16 115.95 1fqq n LYS 10 Ca 0.04 1.06 0.00 0.00 -0.00 0.00 0.00 58.31 59.41 1fqq n LYS 10 Cb 0.21 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.30 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 -4.67 0.00 0.00 3.14 2.88 -1.22 -5.04 113.62 108.71 1fqq n SER 11 Ca 0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1fqq n SER 11 Cb 1.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.20 3.30 0.46 0.00 -1.25 -5.12 105.19 102.78 1fqq n GLY 12 Ca 0.00 0.00 -0.35 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 0.00 2.76 0.69 4.61 0.00 -0.46 -3.93 121.76 125.44 1fqq s ALA 13 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1fqq s ALA 13 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1fqq s ALA 13 CO 0.00 -0.37 1.08 0.96 0.00 0.00 0.00 175.76 177.43 1fqq s ILE 14 N 1.37 3.80 -0.31 0.00 -5.25 0.47 -3.91 121.20 117.38 1fqq s ILE 14 Ca 0.05 0.58 -0.07 0.00 -0.99 0.00 0.00 60.65 60.22 1fqq s ILE 14 Cb -0.14 -3.54 0.02 0.00 2.95 0.00 0.00 42.46 41.75 1fqq s ILE 14 CO -0.04 -0.76 0.10 0.00 -1.79 0.00 0.00 174.94 172.45 1fqq s HIS 16 N 1.49 -0.21 0.45 0.00 3.76 -0.55 -5.02 115.29 115.20 1fqq s HIS 16 Ca 0.02 0.47 -0.22 0.00 -0.15 0.00 0.00 55.06 55.18 1fqq s HIS 16 Cb -0.18 0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.50 1fqq s HIS 16 CO 0.03 -0.22 1.04 -1.25 -0.85 0.00 0.00 174.74 173.50 1fqq s PRO 17 N -0.44 3.97 0.00 8.40 0.04 -1.26 -0.57 135.00 145.14 1fqq s PRO 17 Ca -0.05 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1fqq s PRO 17 Cb -0.04 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1fqq s PRO 17 CO 0.01 -0.30 0.00 1.33 0.04 0.00 0.00 177.00 178.08 1fqq n VAL 18 N -0.56 0.00 -0.88 -0.36 0.24 -1.26 -4.57 118.33 110.94 1fqq n VAL 18 Ca 0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.08 1fqq n VAL 18 Cb 0.51 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.00 -2.99 -4.77 6.34 3.72 -1.26 -4.51 117.46 113.99 1fqq n PHE 19 Ca 0.00 0.19 -0.33 0.00 -0.05 0.00 0.00 57.45 57.26 1fqq n PHE 19 Cb 0.00 -1.22 -0.12 0.00 -0.94 0.00 0.00 39.48 37.19 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 -0.63 0.16 0.27 0.00 0.04 -1.26 -4.87 135.00 128.71 1fqq s PRO 21 Ca 0.09 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1fqq s PRO 21 Cb -0.11 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1fqq s PRO 21 CO 0.01 -2.79 0.00 0.54 0.04 0.00 0.00 177.00 174.80 1fqq n ARG 22 N -4.10 -1.60 0.00 4.56 3.00 -1.26 -4.10 116.66 113.15 1fqq n ARG 22 Ca 0.12 1.25 0.00 0.00 -0.01 0.00 0.00 57.85 59.21 1fqq n ARG 22 Cb 0.59 -1.89 0.00 0.00 0.00 0.00 0.00 32.46 31.16 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 -3.30 0.83 0.00 5.56 1.74 -1.26 -4.80 116.66 115.44 1fqq n ARG 23 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1fqq n ARG 23 Cb 0.34 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.09 -1.46 -3.62 -1.55 9.36 -1.26 -4.79 117.16 113.94 1fqq n TYR 24 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1fqq n TYR 24 Cb 0.21 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.82 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 -1.16 0.28 0.11 2.98 2.20 -0.58 -4.81 119.74 118.76 1fqq s LYS 25 Ca 0.00 0.88 0.04 0.00 -0.36 0.00 0.00 55.97 56.53 1fqq s LYS 25 Cb 0.00 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1fqq s LYS 25 CO 0.00 -0.32 0.11 1.14 -0.36 0.00 0.00 175.35 175.93 1fqq s GLN 26 N 2.55 2.93 0.00 4.03 0.00 -1.26 0.73 119.66 128.64 1fqq s GLN 26 Ca 0.01 -0.75 0.00 0.00 -0.00 0.00 0.00 55.36 54.62 1fqq s GLN 26 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 33.01 30.17 1fqq s GLN 26 CO -0.12 0.53 0.30 0.44 0.00 0.00 0.00 175.29 176.44 1fqq n ILE 27 N 0.10 0.00 -3.82 3.63 -6.64 0.06 -4.93 119.36 107.76 1fqq n ILE 27 Ca -0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 1fqq n ILE 27 Cb 0.53 0.09 0.00 0.00 -1.44 0.00 0.00 39.64 38.81 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 4.38 0.00 3.28 0.00 -0.93 -4.84 105.19 107.07 1fqq n GLY 28 Ca -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.25 -0.32 114.28 113.08 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 0.10 -0.12 3.14 0.00 0.00 -1.26 -4.68 105.19 102.37 1fqq n GLY 31 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1fqq n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1fqq n LEU 32 N -3.01 -2.64 -4.57 0.99 -0.00 -1.26 -4.76 117.00 101.75 1fqq n LEU 32 Ca 0.00 -0.08 -0.41 0.00 -0.00 0.00 0.00 56.01 55.52 1fqq n LEU 32 Cb 0.06 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 42.72 1fqq n LEU 32 CO 0.00 -2.79 1.32 -2.16 -0.00 0.00 0.00 177.39 173.76 1fqq s PRO 33 N -2.76 3.22 -0.17 1.47 0.04 -1.26 -3.58 135.00 131.96 1fqq s PRO 33 Ca 0.46 0.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 1fqq s PRO 33 Cb -0.01 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 1fqq s PRO 33 CO 0.65 -2.04 0.15 0.41 0.04 0.00 0.00 177.00 176.21 1fqq n GLY 34 N 5.33 0.37 3.90 0.56 0.00 -1.26 -5.06 105.19 109.04 1fqq n GLY 34 Ca 0.14 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.05 2.02 -0.30 2.61 2.01 -1.23 -4.47 115.64 113.22 1fqq s THR 35 Ca 0.06 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1fqq s THR 35 Cb -0.01 -3.00 0.10 0.00 0.01 0.00 0.00 72.50 69.60 1fqq s THR 35 CO 0.13 -0.00 0.10 -0.54 -0.69 0.00 0.00 174.62 173.61 1fqq s LYS 36 N -5.56 0.66 -0.22 4.92 -0.14 0.27 -4.37 119.74 115.30 1fqq s LYS 36 Ca 0.62 -0.98 -0.18 0.00 -1.36 0.00 0.00 55.97 54.07 1fqq s LYS 36 Cb -0.11 -1.91 -0.03 0.00 -1.68 0.00 0.00 37.83 34.10 1fqq s LYS 36 CO 0.49 -0.97 0.52 0.00 -0.76 0.00 0.00 175.35 174.63 1fqq n LYS 39 N 1.75 0.40 -1.70 0.00 -0.00 0.22 0.18 118.16 119.02 1fqq n LYS 39 Ca -0.16 -3.15 -0.43 0.00 -0.00 0.00 0.00 58.31 54.57 1fqq n LYS 39 Cb 0.53 2.50 -0.02 0.00 -0.00 0.00 0.00 35.03 38.05 1fqq n LYS 39 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1fqq n LYS 40 N -0.62 2.19 0.00 -1.58 2.85 -1.25 -1.53 118.16 118.22 1fqq n LYS 40 Ca 0.06 0.77 0.12 0.00 -1.05 0.00 0.00 58.31 58.22 1fqq n LYS 40 Cb 0.57 -2.42 0.71 0.00 -0.65 0.00 0.00 35.03 33.24 1fqq n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00