#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 4.93 0.00 -0.61 1.01 -1.22 -4.94 121.20 120.37 1fd4 s ILE 2 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1fd4 s ILE 2 Cb 0.00 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1fd4 s ILE 2 CO 0.00 0.39 0.77 0.61 0.00 0.00 0.00 174.94 176.71 1fd4 n GLY 3 N 2.57 -0.55 3.16 6.18 0.00 -1.24 -0.75 105.19 114.57 1fd4 n GLY 3 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.58 -0.04 0.20 1.61 -4.77 -1.22 -2.25 116.67 109.62 1fd4 s ASP 4 Ca 0.00 -0.15 -0.10 0.00 -3.30 0.00 0.00 52.55 49.00 1fd4 s ASP 4 Cb 0.00 0.25 0.14 0.00 -1.09 0.00 0.00 42.92 42.22 1fd4 s ASP 4 CO 0.00 -0.43 1.82 -0.65 0.70 0.00 0.00 175.17 176.60 1fd4 h PRO 5 N 3.98 1.03 -0.38 2.11 0.11 -1.83 -2.68 132.00 134.34 1fd4 h PRO 5 Ca -0.31 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1fd4 h PRO 5 Cb 1.19 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1fd4 h PRO 5 CO 0.42 0.77 -0.03 0.28 -0.21 0.00 0.00 178.00 179.22 1fd4 h VAL 6 N 1.01 1.27 -0.79 3.15 2.07 -1.97 -1.40 116.25 119.59 1fd4 h VAL 6 Ca 0.26 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1fd4 h VAL 6 Cb 0.04 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1fd4 h VAL 6 CO -0.04 0.36 0.38 0.74 0.02 0.00 0.00 177.57 179.03 1fd4 h THR 7 N 0.52 1.25 0.06 2.57 2.02 -1.98 0.96 112.91 118.30 1fd4 h THR 7 Ca 0.10 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1fd4 h THR 7 Cb 0.52 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1fd4 h THR 7 CO 0.03 0.29 -0.12 0.00 0.37 0.00 0.00 175.52 176.09 1fd4 h LEU 9 N -0.23 0.83 -1.73 0.00 3.38 -0.98 -2.06 115.31 114.52 1fd4 h LEU 9 Ca 0.02 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1fd4 h LEU 9 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1fd4 h LEU 9 CO -0.07 1.05 0.37 0.50 0.09 0.00 0.00 178.44 180.37 1fd4 h LYS 10 N 0.69 0.29 0.00 1.13 3.64 -0.73 -0.14 116.57 121.46 1fd4 h LYS 10 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1fd4 h LYS 10 Cb 0.80 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1fd4 h LYS 10 CO 0.07 0.19 0.00 -1.13 -2.27 0.00 0.00 179.45 176.31 1fd4 n SER 11 N -4.46 0.00 0.00 4.20 3.41 -0.77 -4.87 113.62 111.13 1fd4 n SER 11 Ca 0.09 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1fd4 n SER 11 Cb 0.40 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.33 0.76 3.95 5.00 0.00 -0.06 -5.07 105.19 111.09 1fd4 n GLY 12 Ca 0.13 0.00 -0.27 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 -2.30 2.84 -0.05 4.61 0.00 -0.83 -4.90 121.76 121.14 1fd4 s ALA 13 Ca 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.72 1fd4 s ALA 13 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1fd4 s ALA 13 CO 0.00 -1.94 -0.23 0.42 0.00 0.00 0.00 175.76 174.00 1fd4 s ILE 14 N -3.55 2.23 -0.24 0.00 1.09 -0.18 -4.11 121.20 116.44 1fd4 s ILE 14 Ca 0.69 -1.02 -0.16 0.00 -1.10 0.00 0.00 60.65 59.06 1fd4 s ILE 14 Cb -0.06 -1.81 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 1fd4 s ILE 14 CO 0.49 0.57 0.41 0.00 -0.10 0.00 0.00 174.94 176.31 1fd4 s HIS 16 N 1.85 2.99 0.40 0.00 3.76 0.07 -4.96 115.29 119.40 1fd4 s HIS 16 Ca 0.18 0.02 0.10 0.00 -0.15 0.00 0.00 55.06 55.20 1fd4 s HIS 16 Cb -0.15 -1.75 0.84 0.00 1.11 0.00 0.00 32.58 32.62 1fd4 s HIS 16 CO 0.09 0.32 1.96 -1.00 -0.85 0.00 0.00 174.74 175.26 1fd4 h PRO 17 N 5.39 0.27 0.00 8.40 0.13 -1.88 -0.46 132.00 143.85 1fd4 h PRO 17 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1fd4 h PRO 17 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1fd4 h PRO 17 CO 0.54 0.34 -0.04 0.28 -0.23 0.00 0.00 178.00 178.89 1fd4 n VAL 18 N -4.33 0.00 -4.20 1.56 0.31 -1.25 -3.41 118.33 107.01 1fd4 n VAL 18 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1fd4 n VAL 18 Cb 0.22 -0.14 -0.14 0.00 -0.91 0.00 0.00 33.84 32.87 1fd4 n VAL 18 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1fd4 s PHE 19 N -1.27 0.66 0.50 3.52 0.40 -1.26 -4.78 117.98 115.75 1fd4 s PHE 19 Ca 0.00 -0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 1fd4 s PHE 19 Cb 0.00 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 43.05 1fd4 s PHE 19 CO 0.00 -0.02 1.13 0.00 0.70 0.00 0.00 175.22 177.02 1fd4 s PRO 21 N -3.04 1.06 0.74 0.00 0.02 -1.26 -4.94 135.00 127.58 1fd4 s PRO 21 Ca 0.68 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 63.13 1fd4 s PRO 21 Cb -0.24 -1.73 0.05 0.00 0.02 0.00 0.00 34.50 32.59 1fd4 s PRO 21 CO 0.29 -2.61 1.20 0.50 -0.33 0.00 0.00 177.00 176.05 1fd4 s ARG 22 N -4.60 2.05 0.00 5.54 3.52 -1.26 -2.55 118.95 121.65 1fd4 s ARG 22 Ca 0.67 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1fd4 s ARG 22 Cb -0.23 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1fd4 s ARG 22 CO 0.57 -1.90 0.00 0.54 -0.81 0.00 0.00 175.30 173.71 1fd4 n ARG 23 N -2.84 0.00 -1.73 5.12 1.74 -1.26 -4.96 116.66 112.73 1fd4 n ARG 23 Ca 0.13 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 1fd4 n ARG 23 Cb 0.50 -0.47 0.04 0.00 -1.02 0.00 0.00 32.46 31.52 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 -0.22 2.80 -0.10 -1.55 1.51 -1.06 -4.90 117.35 113.84 1fd4 s TYR 24 Ca 0.00 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 57.59 1fd4 s TYR 24 Cb 0.00 -3.05 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 1fd4 s TYR 24 CO 0.00 -1.46 -0.11 0.21 -1.11 0.00 0.00 175.55 173.08 1fd4 s LYS 25 N -4.39 3.02 -0.31 -0.62 2.20 0.12 -4.88 119.74 114.88 1fd4 s LYS 25 Ca 0.63 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 1fd4 s LYS 25 Cb -0.17 -2.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1fd4 s LYS 25 CO 0.45 0.43 1.15 -1.14 -0.36 0.00 0.00 175.35 175.88 1fd4 s GLN 26 N -0.20 4.03 0.00 4.03 0.74 -1.26 0.40 119.66 127.39 1fd4 s GLN 26 Ca 0.01 1.14 0.08 0.00 0.05 0.00 0.00 55.36 56.64 1fd4 s GLN 26 Cb -0.13 -3.78 0.19 0.00 1.10 0.00 0.00 33.01 30.39 1fd4 s GLN 26 CO 0.03 -0.96 1.10 0.44 -0.55 0.00 0.00 175.29 175.35 1fd4 n ILE 27 N 5.96 0.80 -2.55 -2.34 -5.35 -0.49 -4.98 119.36 110.40 1fd4 n ILE 27 Ca 0.13 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1fd4 n ILE 27 Cb 0.47 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 0.27 -0.51 3.68 3.28 0.00 -1.20 -3.40 105.19 107.32 1fd4 n GLY 28 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.34 1.65 -0.55 2.61 -4.23 0.07 -1.02 115.64 110.83 1fd4 s THR 29 Ca 0.00 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1fd4 s THR 29 Cb 0.00 -2.64 0.41 0.00 1.34 0.00 0.00 72.50 71.60 1fd4 s THR 29 CO 0.00 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.52 1fd4 n GLY 31 N -0.56 1.70 3.70 0.00 0.00 -0.95 -3.88 105.19 105.20 1fd4 n GLY 31 Ca 0.46 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 4.22 -4.70 0.99 4.77 -1.26 -4.88 117.00 116.14 1fd4 n LEU 32 Ca 0.00 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.61 1fd4 n LEU 32 Cb 0.00 -1.50 0.01 0.00 -2.33 0.00 0.00 43.42 39.60 1fd4 n LEU 32 CO 0.00 -0.80 0.90 -2.65 -1.33 0.00 0.00 177.39 173.50 1fd4 n PRO 33 N -0.27 2.00 0.00 3.23 -0.02 -1.26 -2.00 135.00 136.68 1fd4 n PRO 33 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1fd4 n PRO 33 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.79 3.08 3.81 -1.23 0.00 -1.26 -5.01 105.19 105.36 1fd4 n GLY 34 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.50 3.95 -0.03 2.61 -4.23 -0.85 -3.74 115.64 111.86 1fd4 s THR 35 Ca 0.00 0.85 0.03 0.00 -1.18 0.00 0.00 61.69 61.39 1fd4 s THR 35 Cb 0.00 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1fd4 s THR 35 CO 0.00 -0.62 -0.11 -0.54 -0.54 0.00 0.00 174.62 172.81 1fd4 s LYS 36 N -4.32 1.16 -0.27 3.99 -0.14 -0.18 -3.83 119.74 116.14 1fd4 s LYS 36 Ca 0.62 -0.39 -0.15 0.00 -1.36 0.00 0.00 55.97 54.69 1fd4 s LYS 36 Cb -0.15 -1.06 -0.04 0.00 -1.68 0.00 0.00 37.83 34.90 1fd4 s LYS 36 CO 0.41 0.16 0.36 0.00 -0.76 0.00 0.00 175.35 175.52 1fd4 s LYS 39 N 0.64 4.16 -0.09 0.00 2.20 0.16 -1.01 119.74 125.80 1fd4 s LYS 39 Ca -0.14 0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 1fd4 s LYS 39 Cb -0.16 -3.53 -0.25 0.00 -1.51 0.00 0.00 37.83 32.38 1fd4 s LYS 39 CO 0.04 0.02 0.92 -0.22 -0.36 0.00 0.00 175.35 175.74 1fd4 h LYS 40 N 7.33 0.08 0.00 4.03 3.64 -1.90 0.33 116.57 130.08 1fd4 h LYS 40 Ca -0.37 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1fd4 h LYS 40 Cb 1.16 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1fd4 h LYS 40 CO 0.71 0.94 0.00 -2.30 -2.27 0.00 0.00 179.45 176.52