#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 -4.66 119.36 118.24 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 -1.19 1.33 7.39 0.00 -1.26 -4.99 105.19 106.46 1fqq n GLY 3 Ca 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.08 0.09 1.61 9.92 -1.26 -4.98 116.55 121.84 1fqq n ASP 4 Ca 0.00 -1.90 -0.05 0.00 -0.53 0.00 0.00 54.79 52.31 1fqq n ASP 4 Cb 0.00 0.65 -0.02 0.00 -0.64 0.00 0.00 41.12 41.10 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 -0.30 0.27 -0.24 0.13 -1.82 -2.80 132.00 127.24 1fqq h PRO 5 Ca -0.10 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1fqq h PRO 5 Cb 0.49 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1fqq h PRO 5 CO 0.15 -0.20 -0.13 0.28 -0.23 0.00 0.00 178.00 177.87 1fqq h VAL 6 N -0.99 0.11 -0.65 1.56 2.07 -1.81 -3.17 116.25 113.37 1fqq h VAL 6 Ca -0.03 -0.78 0.19 0.00 0.82 0.00 0.00 66.70 66.90 1fqq h VAL 6 Cb 0.24 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1fqq h VAL 6 CO 0.05 0.03 0.77 0.74 0.02 0.00 0.00 177.57 179.19 1fqq h THR 7 N -1.08 0.19 -1.07 2.57 2.02 -1.95 0.41 112.91 114.00 1fqq h THR 7 Ca -0.04 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.45 1fqq h THR 7 Cb 0.33 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1fqq h THR 7 CO 0.06 0.00 0.97 0.00 0.37 0.00 0.00 175.52 176.93 1fqq h LEU 9 N 0.00 0.51 -1.98 0.00 3.38 -0.31 1.87 115.31 118.78 1fqq h LEU 9 Ca 0.51 -0.89 0.54 0.00 0.09 0.00 0.00 57.88 58.13 1fqq h LEU 9 Cb 2.45 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.97 1fqq h LEU 9 CO -0.01 1.35 1.35 0.50 0.09 0.00 0.00 178.44 181.72 1fqq h LYS 10 N -0.26 0.00 0.00 1.13 1.63 0.26 -3.37 116.57 115.95 1fqq h LYS 10 Ca -0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1fqq h LYS 10 Cb 1.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1fqq h LYS 10 CO 0.15 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.58 1fqq n SER 11 N -3.95 0.00 -0.05 4.20 7.64 -1.08 -5.05 113.62 115.32 1fqq n SER 11 Ca 0.42 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.24 1fqq n SER 11 Cb 1.91 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 65.04 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 0.00 -0.34 0.00 0.23 0.00 0.54 -4.92 105.19 100.69 1fqq n GLY 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.49 0.00 -1.69 4.61 0.00 0.40 -4.31 120.51 117.04 1fqq n ALA 13 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 1fqq n ALA 13 Cb 0.76 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.25 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 4.25 -0.29 0.00 -4.36 0.59 -4.02 121.20 115.37 1fqq s ILE 14 Ca 0.00 0.73 -0.08 0.00 -0.26 0.00 0.00 60.65 61.04 1fqq s ILE 14 Cb 0.00 -3.57 -0.01 0.00 1.25 0.00 0.00 42.46 40.13 1fqq s ILE 14 CO 0.00 -0.96 0.11 0.00 0.24 0.00 0.00 174.94 174.34 1fqq s HIS 16 N 1.59 -0.43 0.44 0.00 -3.43 -0.82 -5.02 115.29 107.61 1fqq s HIS 16 Ca 0.05 1.00 -0.22 0.00 -0.80 0.00 0.00 55.06 55.09 1fqq s HIS 16 Cb -0.16 0.15 -0.09 0.00 -1.43 0.00 0.00 32.58 31.05 1fqq s HIS 16 CO 0.05 -0.23 1.05 -1.25 -2.00 0.00 0.00 174.74 172.35 1fqq s PRO 17 N 0.63 4.00 0.05 -0.38 0.04 -1.26 -1.50 135.00 136.58 1fqq s PRO 17 Ca -0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1fqq s PRO 17 Cb -0.05 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1fqq s PRO 17 CO -0.04 -0.27 0.00 1.33 0.04 0.00 0.00 177.00 178.06 1fqq n VAL 18 N -0.46 0.00 -0.94 -0.36 0.24 -1.26 -4.89 118.33 110.66 1fqq n VAL 18 Ca 0.07 0.01 -0.38 0.00 -2.04 0.00 0.00 64.34 62.00 1fqq n VAL 18 Cb 0.51 -0.07 0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.58 -1.51 -3.16 6.34 1.16 -1.26 -4.36 117.46 113.09 1fqq n PHE 19 Ca 0.00 0.54 -0.40 0.00 -1.87 0.00 0.00 57.45 55.72 1fqq n PHE 19 Cb 0.09 -1.42 -0.07 0.00 -1.61 0.00 0.00 39.48 36.47 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 2.41 0.91 0.53 0.00 0.04 -1.26 -4.89 135.00 132.73 1fqq s PRO 21 Ca 0.24 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1fqq s PRO 21 Cb -0.16 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1fqq s PRO 21 CO 0.09 -2.34 0.00 0.54 0.04 0.00 0.00 177.00 175.33 1fqq n ARG 22 N -3.85 -3.16 0.00 4.56 3.00 -1.26 -3.89 116.66 112.06 1fqq n ARG 22 Ca 0.08 2.44 0.00 0.00 -0.01 0.00 0.00 57.85 60.36 1fqq n ARG 22 Cb 0.59 -3.76 0.00 0.00 0.00 0.00 0.00 32.46 29.29 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 -4.30 0.87 0.00 5.56 1.74 -1.26 -4.80 116.66 114.47 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 0.68 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.08 -0.43 -3.35 -1.55 9.36 -1.25 -4.84 117.16 115.17 1fqq n TYR 24 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1fqq n TYR 24 Cb 0.22 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.85 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 0.34 0.16 2.98 2.47 -0.68 -4.79 119.74 120.22 1fqq s LYS 25 Ca 0.00 0.53 0.05 0.00 -1.56 0.00 0.00 55.97 54.98 1fqq s LYS 25 Cb 0.00 -0.50 -0.04 0.00 -1.46 0.00 0.00 37.83 35.83 1fqq s LYS 25 CO 0.00 -0.64 0.14 1.14 0.16 0.00 0.00 175.35 176.14 1fqq s GLN 26 N 2.54 2.91 0.00 4.03 0.00 -1.26 0.91 119.66 128.79 1fqq s GLN 26 Ca 0.13 -0.85 0.00 0.00 -0.00 0.00 0.00 55.36 54.63 1fqq s GLN 26 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 33.01 30.20 1fqq s GLN 26 CO -0.16 0.49 0.23 0.44 0.00 0.00 0.00 175.29 176.29 1fqq n ILE 27 N -0.31 0.00 -4.04 3.63 -6.64 -0.16 -4.94 119.36 106.90 1fqq n ILE 27 Ca -0.08 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.78 1fqq n ILE 27 Cb 0.54 0.06 -0.04 0.00 -1.44 0.00 0.00 39.64 38.77 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 2.89 0.00 3.28 0.00 -1.02 -4.99 105.19 105.35 1fqq n GLY 28 Ca -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.40 0.00 0.00 2.61 -1.04 -1.26 0.20 114.28 114.39 1fqq n THR 29 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1fqq n THR 29 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.00 -0.13 3.06 0.00 0.00 -1.26 -3.76 105.19 103.10 1fqq n GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.04 -2.71 -4.56 0.99 -0.00 -1.26 -4.73 117.00 101.70 1fqq n LEU 32 Ca 0.00 -0.05 -0.41 0.00 -0.00 0.00 0.00 56.01 55.55 1fqq n LEU 32 Cb 0.05 -0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 42.81 1fqq n LEU 32 CO 0.00 -2.66 1.35 -2.16 -0.00 0.00 0.00 177.39 173.92 1fqq s PRO 33 N -2.46 3.09 -0.15 1.47 0.04 -1.26 -3.61 135.00 132.13 1fqq s PRO 33 Ca 0.40 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1fqq s PRO 33 Cb 0.03 -4.21 -0.01 0.00 0.04 0.00 0.00 34.50 30.35 1fqq s PRO 33 CO 0.61 -2.20 0.13 0.41 0.04 0.00 0.00 177.00 175.99 1fqq n GLY 34 N 5.42 0.26 3.88 0.56 0.00 -1.26 -5.03 105.19 109.02 1fqq n GLY 34 Ca 0.13 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.04 3.98 -0.28 2.61 2.01 -1.24 -4.48 115.64 115.21 1fqq s THR 35 Ca 0.05 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1fqq s THR 35 Cb -0.01 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 68.95 1fqq s THR 35 CO 0.11 -0.83 -0.01 -0.54 -0.69 0.00 0.00 174.62 172.66 1fqq s LYS 36 N -5.28 1.54 -0.38 4.92 -0.14 -0.57 -4.45 119.74 115.39 1fqq s LYS 36 Ca 0.57 -1.33 -0.15 0.00 -1.36 0.00 0.00 55.97 53.70 1fqq s LYS 36 Cb -0.11 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 1fqq s LYS 36 CO 0.52 -0.76 0.31 0.00 -0.76 0.00 0.00 175.35 174.67 1fqq s LYS 39 N -0.74 2.12 0.30 0.00 -2.85 0.26 0.22 119.74 119.05 1fqq s LYS 39 Ca 0.11 -2.35 -0.29 0.00 -1.00 0.00 0.00 55.97 52.45 1fqq s LYS 39 Cb -0.11 -1.10 -0.10 0.00 -2.06 0.00 0.00 37.83 34.46 1fqq s LYS 39 CO 0.00 -0.46 1.39 -1.59 0.10 0.00 0.00 175.35 174.80 1fqq s LYS 40 N -3.79 4.28 0.00 1.78 0.00 -1.26 -1.69 119.74 119.06 1fqq s LYS 40 Ca 0.11 2.31 0.24 0.00 0.00 0.00 0.00 55.97 58.62 1fqq s LYS 40 Cb 0.01 -3.07 1.44 0.00 0.00 0.00 0.00 37.83 36.20 1fqq s LYS 40 CO 0.07 -0.34 1.80 -0.35 0.00 0.00 0.00 175.35 176.53