#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 0.83 -0.00 -0.61 1.01 -1.26 -5.00 121.20 116.16 1fd4 s ILE 2 Ca 0.00 -0.64 0.17 0.00 0.00 0.00 0.00 60.65 60.18 1fd4 s ILE 2 Cb 0.00 -1.19 0.28 0.00 0.01 0.00 0.00 42.46 41.57 1fd4 s ILE 2 CO 0.00 -0.07 1.11 0.61 0.00 0.00 0.00 174.94 176.59 1fd4 n GLY 3 N 4.95 0.93 3.33 6.18 0.00 -1.23 -1.56 105.19 117.78 1fd4 n GLY 3 Ca -0.10 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.69 -0.28 0.31 1.61 -4.77 -1.17 -2.93 116.67 107.75 1fd4 s ASP 4 Ca 0.23 -0.10 0.12 0.00 -3.30 0.00 0.00 52.55 49.50 1fd4 s ASP 4 Cb 0.26 0.45 0.49 0.00 -1.09 0.00 0.00 42.92 43.02 1fd4 s ASP 4 CO -0.11 -0.74 1.69 1.55 0.70 0.00 0.00 175.17 178.26 1fd4 h PRO 5 N 2.76 0.00 -0.02 2.11 0.13 -1.82 -2.33 132.00 132.83 1fd4 h PRO 5 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1fd4 h PRO 5 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fd4 h PRO 5 CO 0.44 0.53 -0.00 0.28 -0.23 0.00 0.00 178.00 179.02 1fd4 h VAL 6 N 0.00 1.27 -0.48 1.56 2.07 -1.97 -1.03 116.25 117.67 1fd4 h VAL 6 Ca -0.01 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1fd4 h VAL 6 Cb 0.95 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 1fd4 h VAL 6 CO 0.07 0.21 0.13 0.74 0.02 0.00 0.00 177.57 178.74 1fd4 h THR 7 N -0.30 0.79 0.15 2.57 2.02 -1.99 -1.09 112.91 115.06 1fd4 h THR 7 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1fd4 h THR 7 Cb 0.34 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1fd4 h THR 7 CO 0.00 0.05 -0.40 0.00 0.37 0.00 0.00 175.52 175.54 1fd4 h LEU 9 N -0.65 0.97 -1.28 0.00 3.38 -1.15 -2.11 115.31 114.47 1fd4 h LEU 9 Ca 0.02 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1fd4 h LEU 9 Cb 0.67 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1fd4 h LEU 9 CO -0.22 0.80 0.53 0.50 0.09 0.00 0.00 178.44 180.15 1fd4 h LYS 10 N 1.07 0.82 0.00 1.13 3.11 -0.99 -1.78 116.57 119.93 1fd4 h LYS 10 Ca 0.26 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1fd4 h LYS 10 Cb 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.12 1fd4 h LYS 10 CO -0.04 0.54 0.00 -1.13 -2.81 0.00 0.00 179.45 176.02 1fd4 n SER 11 N -4.49 0.00 0.00 4.20 3.41 -0.82 -4.86 113.62 111.06 1fd4 n SER 11 Ca 0.13 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1fd4 n SER 11 Cb 0.25 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.86 0.75 3.95 5.00 0.00 -0.67 -5.08 105.19 110.01 1fd4 n GLY 12 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.41 2.95 0.24 4.61 0.00 -1.05 -4.99 121.76 121.10 1fd4 s ALA 13 Ca 0.00 -1.36 0.11 0.00 0.00 0.00 0.00 51.96 50.71 1fd4 s ALA 13 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1fd4 s ALA 13 CO 0.00 -1.88 -0.17 0.96 0.00 0.00 0.00 175.76 174.67 1fd4 s ILE 14 N -3.50 2.67 -0.20 0.00 -4.36 -0.23 -4.19 121.20 111.39 1fd4 s ILE 14 Ca 0.69 -2.14 -0.05 0.00 -0.26 0.00 0.00 60.65 58.89 1fd4 s ILE 14 Cb -0.05 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 1fd4 s ILE 14 CO 0.48 -0.28 0.01 0.00 0.24 0.00 0.00 174.94 175.39 1fd4 s HIS 16 N 1.04 3.13 0.27 0.00 3.76 0.17 -4.96 115.29 118.70 1fd4 s HIS 16 Ca 0.02 0.05 0.28 0.00 -0.15 0.00 0.00 55.06 55.26 1fd4 s HIS 16 Cb -0.14 -1.86 1.30 0.00 1.11 0.00 0.00 32.58 32.99 1fd4 s HIS 16 CO 0.02 0.30 1.98 -1.00 -0.85 0.00 0.00 174.74 175.19 1fd4 h PRO 17 N 5.73 0.00 0.00 8.40 0.13 -1.88 0.84 132.00 145.22 1fd4 h PRO 17 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fd4 h PRO 17 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fd4 h PRO 17 CO 0.58 0.13 -0.44 0.28 -0.23 0.00 0.00 178.00 178.33 1fd4 n VAL 18 N -3.42 0.00 -3.72 1.56 0.31 -1.25 -3.50 118.33 108.31 1fd4 n VAL 18 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1fd4 n VAL 18 Cb 0.31 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.32 1fd4 n VAL 18 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1fd4 s PHE 19 N -1.92 -0.37 0.35 3.52 5.36 -1.26 -4.78 117.98 118.88 1fd4 s PHE 19 Ca 0.00 0.76 -0.29 0.00 -0.96 0.00 0.00 56.93 56.45 1fd4 s PHE 19 Cb 0.00 0.16 -0.11 0.00 -0.34 0.00 0.00 43.02 42.73 1fd4 s PHE 19 CO 0.00 -0.34 1.46 0.00 -1.46 0.00 0.00 175.22 174.87 1fd4 s PRO 21 N -1.76 2.38 0.92 0.00 0.02 -1.26 -4.94 135.00 130.36 1fd4 s PRO 21 Ca 0.53 1.81 -0.10 0.00 0.02 0.00 0.00 61.00 63.26 1fd4 s PRO 21 Cb -0.45 -1.86 0.15 0.00 0.02 0.00 0.00 34.50 32.36 1fd4 s PRO 21 CO 0.58 -1.66 1.13 1.03 -0.33 0.00 0.00 177.00 177.75 1fd4 s ARG 22 N -3.73 0.97 0.00 5.54 0.52 -1.26 -2.27 118.95 118.72 1fd4 s ARG 22 Ca 0.76 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1fd4 s ARG 22 Cb -0.30 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1fd4 s ARG 22 CO 0.42 -2.63 0.00 0.54 0.02 0.00 0.00 175.30 173.65 1fd4 n ARG 23 N -4.23 0.00 -2.88 3.54 1.74 -1.26 -4.98 116.66 108.60 1fd4 n ARG 23 Ca 0.11 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 1fd4 n ARG 23 Cb 0.52 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.92 1fd4 n ARG 23 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fd4 s TYR 24 N -0.47 3.41 -0.01 -1.55 1.51 -0.96 -3.99 117.35 115.29 1fd4 s TYR 24 Ca 0.00 1.25 0.06 0.00 -1.01 0.00 0.00 57.07 57.37 1fd4 s TYR 24 Cb 0.00 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1fd4 s TYR 24 CO 0.00 -0.08 -0.18 0.15 -1.11 0.00 0.00 175.55 174.33 1fd4 s LYS 25 N -3.49 2.27 0.14 -0.62 -0.14 0.11 -4.77 119.74 113.25 1fd4 s LYS 25 Ca 0.55 -0.84 -0.31 0.00 -1.36 0.00 0.00 55.97 54.01 1fd4 s LYS 25 Cb -0.10 -2.23 -0.09 0.00 -1.68 0.00 0.00 37.83 33.73 1fd4 s LYS 25 CO 0.24 0.58 1.44 -1.14 -0.76 0.00 0.00 175.35 175.71 1fd4 s GLN 26 N -0.92 4.29 0.00 1.68 0.74 -1.26 -1.34 119.66 122.85 1fd4 s GLN 26 Ca 0.12 2.18 0.00 0.00 0.05 0.00 0.00 55.36 57.71 1fd4 s GLN 26 Cb -0.10 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1fd4 s GLN 26 CO 0.02 -0.48 0.30 0.44 -0.55 0.00 0.00 175.29 175.02 1fd4 n ILE 27 N 3.76 0.00 -3.25 -2.34 -5.35 0.30 -4.93 119.36 107.55 1fd4 n ILE 27 Ca 0.12 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1fd4 n ILE 27 Cb 0.41 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.26 -0.83 3.65 3.28 0.00 -1.19 -4.54 105.19 105.82 1fd4 n GLY 28 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.00 2.19 -0.41 2.61 -4.23 -0.60 -0.20 115.64 112.00 1fd4 s THR 29 Ca 0.00 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1fd4 s THR 29 Cb 0.00 -2.94 0.44 0.00 1.34 0.00 0.00 72.50 71.34 1fd4 s THR 29 CO 0.00 -0.04 1.32 0.00 -0.54 0.00 0.00 174.62 175.35 1fd4 n GLY 31 N -0.66 0.82 3.64 0.00 0.00 -1.15 -3.73 105.19 104.11 1fd4 n GLY 31 Ca 0.45 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1fd4 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fd4 n LEU 32 N 0.00 4.18 -4.75 0.99 4.77 -1.26 -4.87 117.00 116.05 1fd4 n LEU 32 Ca 0.00 0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 56.37 1fd4 n LEU 32 Cb 0.00 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 39.65 1fd4 n LEU 32 CO 0.00 -1.72 1.11 -2.16 -1.33 0.00 0.00 177.39 173.30 1fd4 s PRO 33 N -2.90 4.24 0.00 3.23 0.04 -1.26 -2.07 135.00 136.28 1fd4 s PRO 33 Ca 0.78 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1fd4 s PRO 33 Cb -0.40 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1fd4 s PRO 33 CO 0.45 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1fd4 n GLY 34 N 1.71 2.74 3.77 0.56 0.00 -1.26 -5.05 105.19 107.67 1fd4 n GLY 34 Ca 0.05 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.47 3.32 0.01 2.61 -4.23 -0.88 -3.95 115.64 111.06 1fd4 s THR 35 Ca 0.00 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1fd4 s THR 35 Cb 0.00 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1fd4 s THR 35 CO 0.00 0.01 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.39 1fd4 s LYS 36 N -2.58 1.18 -0.23 3.99 1.02 0.29 -3.32 119.74 120.09 1fd4 s LYS 36 Ca 0.61 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.81 1fd4 s LYS 36 Cb -0.27 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 1fd4 s LYS 36 CO 0.33 0.31 0.34 0.00 -0.92 0.00 0.00 175.35 175.41 1fd4 s LYS 39 N 0.16 0.06 0.34 0.00 2.47 -0.45 -1.07 119.74 121.26 1fd4 s LYS 39 Ca -0.03 0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.22 1fd4 s LYS 39 Cb -0.09 -0.02 -0.11 0.00 -1.46 0.00 0.00 37.83 36.15 1fd4 s LYS 39 CO 0.01 -0.05 1.43 0.15 0.16 0.00 0.00 175.35 177.06 1fd4 s LYS 40 N 0.28 4.21 0.00 4.03 1.02 -1.26 -0.71 119.74 127.31 1fd4 s LYS 40 Ca -0.02 2.42 0.05 0.00 0.02 0.00 0.00 55.97 58.44 1fd4 s LYS 40 Cb -0.03 -3.02 0.28 0.00 -0.52 0.00 0.00 37.83 34.53 1fd4 s LYS 40 CO -0.01 -0.41 0.75 -2.30 -0.92 0.00 0.00 175.35 172.46