#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 0.00 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 -1.80 1.24 7.39 0.00 -1.26 -4.89 105.19 105.86 1fqq n GLY 3 Ca 0.00 0.71 -0.09 0.00 0.00 0.00 0.00 46.02 46.64 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 0.83 0.06 1.61 8.00 -1.26 -4.94 116.55 120.84 1fqq n ASP 4 Ca 0.00 -1.81 -0.13 0.00 0.71 0.00 0.00 54.79 53.57 1fqq n ASP 4 Cb 0.00 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.44 0.00 -0.24 0.13 -1.93 -2.48 132.00 127.91 1fqq h PRO 5 Ca -0.11 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1fqq h PRO 5 Cb 0.45 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1fqq h PRO 5 CO 0.18 1.08 -0.33 0.28 -0.23 0.00 0.00 178.00 178.98 1fqq n VAL 6 N -3.79 0.73 -0.41 1.56 0.31 -1.26 -4.05 118.33 111.42 1fqq n VAL 6 Ca -0.06 0.35 0.40 0.00 -0.01 0.00 0.00 64.34 65.01 1fqq n VAL 6 Cb 0.79 -1.94 0.76 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.50 0.28 -1.11 2.52 2.02 -1.98 0.56 112.91 114.69 1fqq h THR 7 Ca 0.00 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.55 1fqq h THR 7 Cb 0.33 0.29 -0.14 0.00 -1.74 0.00 0.00 68.15 66.89 1fqq h THR 7 CO 0.00 0.00 0.67 0.00 0.37 0.00 0.00 175.52 176.56 1fqq h LEU 9 N 0.21 0.32 -1.93 0.00 3.38 -0.05 1.77 115.31 119.00 1fqq h LEU 9 Ca 0.76 -0.81 0.56 0.00 0.09 0.00 0.00 57.88 58.48 1fqq h LEU 9 Cb 2.04 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.61 1fqq h LEU 9 CO -0.53 1.09 1.39 1.17 0.09 0.00 0.00 178.44 181.65 1fqq n LYS 10 N -4.39 -0.00 0.00 1.13 3.00 0.29 -4.21 118.16 113.98 1fqq n LYS 10 Ca -0.10 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 1fqq n LYS 10 Cb 0.59 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 33.18 1fqq n LYS 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fqq n SER 11 N -3.87 0.00 -0.08 3.14 7.64 -0.74 -5.06 113.62 114.65 1fqq n SER 11 Ca 0.43 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.21 1fqq n SER 11 Cb 1.97 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 65.10 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 -0.22 3.57 0.23 0.00 0.53 -4.97 105.19 104.33 1fqq n GLY 12 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.31 -2.00 0.84 4.61 0.00 0.28 -4.70 121.76 118.48 1fqq s ALA 13 Ca -0.21 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 1fqq s ALA 13 Cb 0.05 0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.28 1fqq s ALA 13 CO 0.36 -0.61 1.09 0.96 0.00 0.00 0.00 175.76 177.56 1fqq s ILE 14 N -2.58 2.95 -0.34 0.00 -5.25 0.62 -4.25 121.20 112.36 1fqq s ILE 14 Ca 0.08 0.31 -0.12 0.00 -0.99 0.00 0.00 60.65 59.93 1fqq s ILE 14 Cb -0.01 -2.77 -0.02 0.00 2.95 0.00 0.00 42.46 42.61 1fqq s ILE 14 CO -0.06 -0.40 0.23 0.00 -1.79 0.00 0.00 174.94 172.92 1fqq s HIS 16 N 1.71 -1.11 0.87 0.00 4.02 -0.43 -5.03 115.29 115.32 1fqq s HIS 16 Ca 0.06 2.11 -0.12 0.00 1.02 0.00 0.00 55.06 58.13 1fqq s HIS 16 Cb -0.17 0.65 0.11 0.00 -1.02 0.00 0.00 32.58 32.15 1fqq s HIS 16 CO 0.10 -0.55 1.12 -1.25 1.02 0.00 0.00 174.74 175.18 1fqq s PRO 17 N 2.03 1.49 2.02 8.40 0.04 -1.26 -1.57 135.00 146.14 1fqq s PRO 17 Ca -0.08 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1fqq s PRO 17 Cb -0.08 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1fqq s PRO 17 CO -0.19 -1.99 0.00 1.33 0.04 0.00 0.00 177.00 176.19 1fqq n VAL 18 N -3.64 0.00 -0.45 -0.36 0.24 -1.26 -4.69 118.33 108.16 1fqq n VAL 18 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 1fqq n VAL 18 Cb 0.58 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 33.07 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 -2.23 -4.18 6.34 3.72 -1.26 -4.58 117.46 115.27 1fqq n PHE 19 Ca 0.00 0.01 -0.34 0.00 -0.05 0.00 0.00 57.45 57.07 1fqq n PHE 19 Cb 0.00 -1.17 -0.15 0.00 -0.94 0.00 0.00 39.48 37.22 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 1.19 0.64 0.39 0.00 0.04 -1.26 -4.83 135.00 131.17 1fqq s PRO 21 Ca 0.02 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1fqq s PRO 21 Cb -0.14 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1fqq s PRO 21 CO -0.05 -2.50 0.00 0.54 0.04 0.00 0.00 177.00 175.02 1fqq n ARG 22 N -3.94 -2.85 0.00 4.56 5.12 -1.26 -3.62 116.66 114.67 1fqq n ARG 22 Ca 0.09 2.02 0.00 0.00 -1.93 0.00 0.00 57.85 58.03 1fqq n ARG 22 Cb 0.59 -3.44 0.00 0.00 -1.16 0.00 0.00 32.46 28.46 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 -4.14 0.77 -2.01 5.56 1.74 -1.26 -4.81 116.66 112.51 1fqq n ARG 23 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1fqq n ARG 23 Cb 0.63 -1.30 0.03 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.22 3.39 0.18 -1.55 5.04 -1.24 -4.75 117.35 117.20 1fqq s TYR 24 Ca 0.00 1.01 -0.23 0.00 -2.44 0.00 0.00 57.07 55.42 1fqq s TYR 24 Cb 0.00 -2.90 0.06 0.00 0.35 0.00 0.00 41.96 39.47 1fqq s TYR 24 CO 0.00 -0.97 0.62 0.21 -1.34 0.00 0.00 175.55 174.07 1fqq s LYS 25 N -5.23 1.37 0.00 4.97 2.20 -0.32 -4.84 119.74 117.90 1fqq s LYS 25 Ca 0.56 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1fqq s LYS 25 Cb -0.11 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 1fqq s LYS 25 CO 0.51 -0.61 0.00 0.94 -0.36 0.00 0.00 175.35 175.83 1fqq n GLN 26 N -0.39 0.00 0.00 4.03 -0.06 -1.26 -0.59 117.38 119.10 1fqq n GLN 26 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1fqq n GLN 26 Cb 0.64 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.82 1fqq n GLN 26 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1fqq n ILE 27 N 0.00 0.00 -3.79 1.69 -5.35 -0.97 -5.00 119.36 105.94 1fqq n ILE 27 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1fqq n ILE 27 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 4.79 0.00 3.28 0.00 -0.53 -4.89 105.19 107.83 1fqq n GLY 28 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.00 0.05 2.61 -1.04 -1.26 0.63 114.28 115.27 1fqq n THR 29 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1fqq n THR 29 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 1.05 4.51 0.12 0.00 0.00 -1.26 -4.65 105.19 104.95 1fqq n GLY 31 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.57 0.99 8.10 -1.98 -3.39 115.31 114.45 1fqq h LEU 32 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.73 1fqq h LEU 32 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1fqq h LEU 32 CO 0.00 0.01 0.90 -0.81 -4.11 0.00 0.00 178.44 174.43 1fqq n PRO 33 N -2.70 1.91 -3.03 0.17 -0.04 -1.26 -4.65 135.00 125.39 1fqq n PRO 33 Ca 0.00 -1.08 -0.19 0.00 -0.04 0.00 0.00 63.50 62.19 1fqq n PRO 33 Cb 0.55 -2.11 -0.04 0.00 -0.04 0.00 0.00 33.50 31.86 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 2.97 -0.16 3.29 0.55 0.00 -1.26 -4.78 105.19 105.79 1fqq n GLY 34 Ca 0.41 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.29 0.00 -4.92 2.61 -2.24 -1.26 -4.76 114.28 101.42 1fqq n THR 35 Ca 0.01 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 1fqq n THR 35 Cb 0.24 -0.67 -0.17 0.00 -2.10 0.00 0.00 70.33 67.63 1fqq n THR 35 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1fqq s LYS 36 N -3.62 2.32 -0.23 -0.78 2.36 -0.61 -4.06 119.74 115.12 1fqq s LYS 36 Ca 0.57 -0.66 -0.05 0.00 -2.55 0.00 0.00 55.97 53.28 1fqq s LYS 36 Cb -0.13 -1.84 -0.01 0.00 -1.05 0.00 0.00 37.83 34.80 1fqq s LYS 36 CO 0.64 0.14 -0.00 0.00 1.55 0.00 0.00 175.35 177.68 1fqq s LYS 39 N -3.94 2.03 0.23 0.00 2.47 0.24 0.23 119.74 121.00 1fqq s LYS 39 Ca 0.39 -1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 53.23 1fqq s LYS 39 Cb -0.06 0.61 -0.10 0.00 -1.46 0.00 0.00 37.83 36.82 1fqq s LYS 39 CO 0.26 -0.94 1.44 0.21 0.16 0.00 0.00 175.35 176.48 1fqq s LYS 40 N -3.03 4.28 0.00 4.03 2.36 -1.26 -1.17 119.74 124.94 1fqq s LYS 40 Ca 0.14 2.27 0.24 0.00 -2.55 0.00 0.00 55.97 56.08 1fqq s LYS 40 Cb -0.05 -3.13 1.44 0.00 -1.05 0.00 0.00 37.83 35.04 1fqq s LYS 40 CO 0.10 -0.42 1.80 -0.35 1.55 0.00 0.00 175.35 178.03