#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd4 s ILE 2 N 0.00 4.81 0.00 -0.61 1.01 -1.26 -4.90 121.20 120.25 1fd4 s ILE 2 Ca 0.00 1.83 0.18 0.00 0.00 0.00 0.00 60.65 62.65 1fd4 s ILE 2 Cb 0.00 -4.22 0.30 0.00 0.01 0.00 0.00 42.46 38.55 1fd4 s ILE 2 CO 0.00 -0.03 1.10 0.61 0.00 0.00 0.00 174.94 176.63 1fd4 n GLY 3 N 3.34 0.86 3.43 6.18 0.00 -1.23 -1.45 105.19 116.32 1fd4 n GLY 3 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1fd4 n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fd4 s ASP 4 N -1.66 -0.52 0.29 1.61 -4.77 -1.19 -2.49 116.67 107.94 1fd4 s ASP 4 Ca 0.23 0.34 -0.01 0.00 -3.30 0.00 0.00 52.55 49.82 1fd4 s ASP 4 Cb 0.27 0.51 0.44 0.00 -1.09 0.00 0.00 42.92 43.05 1fd4 s ASP 4 CO -0.12 -0.70 1.86 -0.65 0.70 0.00 0.00 175.17 176.26 1fd4 h PRO 5 N 2.81 0.84 -0.14 2.11 0.11 -1.84 -2.09 132.00 133.80 1fd4 h PRO 5 Ca -0.30 -0.14 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 1fd4 h PRO 5 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1fd4 h PRO 5 CO 0.40 0.71 -0.39 0.28 -0.21 0.00 0.00 178.00 178.79 1fd4 h VAL 6 N 0.82 1.36 -0.87 3.15 2.07 -1.97 -1.12 116.25 119.68 1fd4 h VAL 6 Ca 0.19 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1fd4 h VAL 6 Cb 0.21 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1fd4 h VAL 6 CO -0.01 0.50 0.54 0.74 0.02 0.00 0.00 177.57 179.36 1fd4 h THR 7 N 0.11 1.24 0.13 2.57 2.02 -1.97 -0.84 112.91 116.18 1fd4 h THR 7 Ca -0.01 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1fd4 h THR 7 Cb 1.00 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1fd4 h THR 7 CO 0.08 0.25 -0.14 0.00 0.37 0.00 0.00 175.52 176.08 1fd4 h LEU 9 N -0.30 0.93 -1.58 0.00 3.38 -0.88 -2.42 115.31 114.45 1fd4 h LEU 9 Ca 0.01 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1fd4 h LEU 9 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1fd4 h LEU 9 CO -0.04 1.01 0.39 0.11 0.09 0.00 0.00 178.44 179.99 1fd4 h LYS 10 N 0.86 0.49 0.00 1.13 1.57 -1.15 -0.49 116.57 118.98 1fd4 h LYS 10 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1fd4 h LYS 10 Cb 0.57 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1fd4 h LYS 10 CO 0.03 0.33 0.00 -1.13 -0.57 0.00 0.00 179.45 178.11 1fd4 n SER 11 N -4.48 0.00 0.00 0.86 3.41 -0.94 -4.88 113.62 107.60 1fd4 n SER 11 Ca 0.08 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1fd4 n SER 11 Cb 0.27 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1fd4 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fd4 n GLY 12 N 0.94 0.85 4.00 5.00 0.00 -0.19 -5.08 105.19 110.72 1fd4 n GLY 12 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1fd4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd4 s ALA 13 N -2.04 3.91 0.13 4.61 0.00 -1.05 -4.72 121.76 122.60 1fd4 s ALA 13 Ca 0.00 -1.76 0.08 0.00 0.00 0.00 0.00 51.96 50.27 1fd4 s ALA 13 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1fd4 s ALA 13 CO 0.00 -1.27 -0.11 0.42 0.00 0.00 0.00 175.76 174.80 1fd4 s ILE 14 N -3.01 3.25 -0.28 0.00 1.01 -0.18 -4.20 121.20 117.78 1fd4 s ILE 14 Ca 0.64 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1fd4 s ILE 14 Cb -0.06 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1fd4 s ILE 14 CO 0.43 0.05 0.16 0.00 0.00 0.00 0.00 174.94 175.58 1fd4 s HIS 16 N 1.70 2.14 0.39 0.00 2.46 -0.30 -4.94 115.29 116.74 1fd4 s HIS 16 Ca 0.06 -0.64 -0.26 0.00 0.47 0.00 0.00 55.06 54.70 1fd4 s HIS 16 Cb -0.16 -1.42 -0.09 0.00 -0.13 0.00 0.00 32.58 30.78 1fd4 s HIS 16 CO 0.08 -0.20 1.25 -1.25 -2.47 0.00 0.00 174.74 172.16 1fd4 s PRO 17 N -0.07 4.06 0.00 2.88 0.04 -1.26 -0.56 135.00 140.09 1fd4 s PRO 17 Ca -0.04 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1fd4 s PRO 17 Cb -0.13 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1fd4 s PRO 17 CO 0.03 -0.38 0.00 0.28 0.04 0.00 0.00 177.00 176.98 1fd4 n VAL 18 N 0.23 0.00 -3.76 -0.36 0.31 0.36 -4.74 118.33 110.38 1fd4 n VAL 18 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1fd4 n VAL 18 Cb 0.44 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 1fd4 n VAL 18 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1fd4 s PHE 19 N 0.00 -0.07 0.14 3.52 -0.12 -1.26 -4.86 117.98 115.34 1fd4 s PHE 19 Ca 0.00 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.45 1fd4 s PHE 19 Cb 0.00 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.41 1fd4 s PHE 19 CO 0.00 -0.53 0.90 0.00 -0.05 0.00 0.00 175.22 175.53 1fd4 s PRO 21 N -0.50 0.29 0.23 0.00 0.02 -1.26 -4.84 135.00 128.93 1fd4 s PRO 21 Ca 0.42 1.26 -0.07 0.00 0.02 0.00 0.00 61.00 62.63 1fd4 s PRO 21 Cb -0.24 -1.66 0.38 0.00 0.02 0.00 0.00 34.50 33.00 1fd4 s PRO 21 CO 0.29 -3.03 1.73 0.00 -0.33 0.00 0.00 177.00 175.66 1fd4 h ARG 22 N -2.15 0.40 0.00 5.54 3.08 -2.04 -1.65 114.38 117.57 1fd4 h ARG 22 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1fd4 h ARG 22 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1fd4 h ARG 22 CO 0.45 0.27 0.00 2.89 -1.07 0.00 0.00 179.97 182.51 1fd4 n ARG 23 N -5.01 0.98 -4.13 0.04 1.85 -1.26 -4.78 116.66 104.35 1fd4 n ARG 23 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.74 1fd4 n ARG 23 Cb 0.35 -1.22 -0.06 0.00 -1.05 0.00 0.00 32.46 30.49 1fd4 n ARG 23 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1fd4 s TYR 24 N -2.00 2.84 -0.08 2.89 1.51 -0.62 -3.88 117.35 118.00 1fd4 s TYR 24 Ca 0.20 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 1fd4 s TYR 24 Cb 0.09 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1fd4 s TYR 24 CO 0.16 0.46 -0.16 0.15 -1.11 0.00 0.00 175.55 175.04 1fd4 s LYS 25 N -3.81 2.86 0.08 -0.62 1.02 -0.43 -4.83 119.74 114.01 1fd4 s LYS 25 Ca 0.35 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1fd4 s LYS 25 Cb -0.06 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1fd4 s LYS 25 CO 0.23 0.42 1.06 -1.14 -0.92 0.00 0.00 175.35 175.00 1fd4 s GLN 26 N -0.20 4.56 0.00 1.68 0.74 -1.26 0.14 119.66 125.32 1fd4 s GLN 26 Ca -0.00 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.00 1fd4 s GLN 26 Cb -0.13 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1fd4 s GLN 26 CO 0.03 -0.03 0.58 0.44 -0.55 0.00 0.00 175.29 175.77 1fd4 n ILE 27 N 3.35 0.33 -1.99 -2.34 -5.35 0.16 -4.92 119.36 108.59 1fd4 n ILE 27 Ca 0.05 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1fd4 n ILE 27 Cb 0.48 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1fd4 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fd4 n GLY 28 N -0.16 -0.54 3.58 3.28 0.00 -1.18 -4.47 105.19 105.69 1fd4 n GLY 28 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1fd4 n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 29 N -3.47 1.25 -0.29 2.61 -4.23 -0.53 -1.01 115.64 109.96 1fd4 s THR 29 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1fd4 s THR 29 Cb 0.00 -2.60 0.48 0.00 1.34 0.00 0.00 72.50 71.72 1fd4 s THR 29 CO 0.00 0.00 1.40 0.00 -0.54 0.00 0.00 174.62 175.48 1fd4 n GLY 31 N -1.06 1.99 3.75 0.00 0.00 -1.04 -3.49 105.19 105.34 1fd4 n GLY 31 Ca 0.33 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1fd4 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fd4 s LEU 32 N 0.00 3.74 0.32 0.99 2.01 -1.26 -4.89 118.68 119.60 1fd4 s LEU 32 Ca 0.00 2.59 -0.29 0.00 0.01 0.00 0.00 54.13 56.44 1fd4 s LEU 32 Cb 0.00 -4.45 -0.12 0.00 0.01 0.00 0.00 46.19 41.63 1fd4 s LEU 32 CO 0.00 -1.64 1.48 -2.65 1.01 0.00 0.00 176.35 174.55 1fd4 n PRO 33 N -1.36 2.50 -0.43 1.29 -0.02 -1.26 -1.41 135.00 134.30 1fd4 n PRO 33 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1fd4 n PRO 33 Cb 0.47 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1fd4 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd4 n GLY 34 N 1.37 0.52 3.77 -1.23 0.00 -1.26 -4.82 105.19 103.54 1fd4 n GLY 34 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1fd4 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 35 N -1.82 3.88 -0.01 2.61 -4.23 -0.50 -0.48 115.64 115.08 1fd4 s THR 35 Ca 0.00 1.63 0.07 0.00 -1.18 0.00 0.00 61.69 62.20 1fd4 s THR 35 Cb 0.00 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 1fd4 s THR 35 CO 0.00 0.19 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.52 1fd4 s LYS 36 N -1.95 1.74 -0.30 3.99 -0.14 0.28 -2.86 119.74 120.51 1fd4 s LYS 36 Ca 0.50 -0.78 -0.18 0.00 -1.36 0.00 0.00 55.97 54.15 1fd4 s LYS 36 Cb -0.24 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.21 1fd4 s LYS 36 CO 0.30 0.46 0.53 0.00 -0.76 0.00 0.00 175.35 175.88 1fd4 s LYS 39 N 0.93 4.18 0.52 0.00 2.20 0.12 -1.01 119.74 126.69 1fd4 s LYS 39 Ca -0.05 0.15 -0.22 0.00 -0.36 0.00 0.00 55.97 55.49 1fd4 s LYS 39 Cb -0.15 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1fd4 s LYS 39 CO -0.04 0.01 1.32 0.21 -0.36 0.00 0.00 175.35 176.49 1fd4 s LYS 40 N 1.16 3.31 0.00 4.03 2.20 -1.26 -1.31 119.74 127.88 1fd4 s LYS 40 Ca 0.18 2.14 0.18 0.00 -0.36 0.00 0.00 55.97 58.11 1fd4 s LYS 40 Cb -0.14 -2.32 1.07 0.00 -1.51 0.00 0.00 37.83 34.93 1fd4 s LYS 40 CO 0.07 -1.02 1.47 -0.35 -0.36 0.00 0.00 175.35 175.16