#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 4.25 -0.02 -0.61 1.01 -1.19 -4.90 121.20 119.74 1fd4 s ILE 2 Ca 0.00 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1fd4 s ILE 2 Cb 0.00 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1fd4 s ILE 2 CO 0.00 0.25 0.92 0.61 0.00 0.00 0.00 174.94 176.72 1fd4 n GLY 3 N 2.41 0.44 3.14 6.18 0.00 -1.26 -0.73 105.19 115.37 1fd4 n GLY 3 Ca 0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.03 -0.09 0.35 1.61 -4.77 -1.24 -3.46 116.67 108.03 1fd4 s ASP 4 Ca 0.04 0.03 0.07 0.00 -3.30 0.00 0.00 52.55 49.39 1fd4 s ASP 4 Cb 0.03 0.30 0.65 0.00 -1.09 0.00 0.00 42.92 42.81 1fd4 s ASP 4 CO 0.00 -0.32 1.85 1.55 0.70 0.00 0.00 175.17 178.96 1fd4 h PRO 5 N 4.56 0.32 -0.20 2.11 0.13 -1.80 -2.28 132.00 134.84 1fd4 h PRO 5 Ca -0.29 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1fd4 h PRO 5 Cb 1.19 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1fd4 h PRO 5 CO 0.39 0.49 -0.02 0.28 -0.23 0.00 0.00 178.00 178.92 1fd4 h VAL 6 N 0.30 1.27 -0.66 1.56 2.07 -1.97 -1.34 116.25 117.49 1fd4 h VAL 6 Ca 0.06 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1fd4 h VAL 6 Cb 0.47 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1fd4 h VAL 6 CO 0.03 0.28 0.39 0.74 0.02 0.00 0.00 177.57 179.04 1fd4 h THR 7 N 0.12 1.05 -0.12 2.57 2.02 -1.97 -0.09 112.91 116.48 1fd4 h THR 7 Ca 0.06 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.02 1fd4 h THR 7 Cb 0.43 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1fd4 h THR 7 CO 0.01 0.14 -0.22 0.00 0.37 0.00 0.00 175.52 175.82 1fd4 h LEU 9 N -0.29 0.35 -1.65 0.00 3.38 -0.98 -2.30 115.31 113.82 1fd4 h LEU 9 Ca 0.10 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fd4 h LEU 9 Cb 0.43 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1fd4 h LEU 9 CO -0.28 0.75 0.25 0.50 0.09 0.00 0.00 178.44 179.75 1fd4 h LYS 10 N 0.27 0.45 -0.00 1.13 3.64 -0.72 -1.12 116.57 120.21 1fd4 h LYS 10 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1fd4 h LYS 10 Cb 0.89 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1fd4 h LYS 10 CO 0.07 0.30 -0.05 -1.13 -2.27 0.00 0.00 179.45 176.37 1fd4 n SER 11 N -4.48 0.36 0.00 4.20 3.41 -0.77 -4.90 113.62 111.44 1fd4 n SER 11 Ca 0.03 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1fd4 n SER 11 Cb 0.10 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.21 0.72 3.93 5.00 0.00 -0.42 -5.06 105.19 110.56 1fd4 n GLY 12 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.59 2.92 -0.08 4.61 0.00 -0.98 -4.58 121.76 121.06 1fd4 s ALA 13 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1fd4 s ALA 13 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1fd4 s ALA 13 CO 0.00 -1.59 -0.19 0.42 0.00 0.00 0.00 175.76 174.40 1fd4 s ILE 14 N -3.43 2.61 -0.16 0.00 1.01 -0.14 -4.22 121.20 116.87 1fd4 s ILE 14 Ca 0.63 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 1fd4 s ILE 14 Cb -0.09 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1fd4 s ILE 14 CO 0.47 0.56 0.51 0.00 0.00 0.00 0.00 174.94 176.49 1fd4 s HIS 16 N 1.19 2.68 -0.12 0.00 3.76 -0.20 -4.96 115.29 117.64 1fd4 s HIS 16 Ca 0.26 -0.17 0.22 0.00 -0.15 0.00 0.00 55.06 55.21 1fd4 s HIS 16 Cb -0.15 -1.56 0.53 0.00 1.11 0.00 0.00 32.58 32.51 1fd4 s HIS 16 CO 0.10 0.25 1.66 -1.00 -0.85 0.00 0.00 174.74 174.91 1fd4 h PRO 17 N 4.83 0.00 0.00 8.40 0.13 -1.87 0.77 132.00 144.26 1fd4 h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1fd4 h PRO 17 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1fd4 h PRO 17 CO 0.50 0.23 -0.11 0.28 -0.23 0.00 0.00 178.00 178.67 1fd4 n VAL 18 N -3.22 0.03 -4.42 1.56 0.31 -1.25 -3.77 118.33 107.56 1fd4 n VAL 18 Ca 0.02 0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 1fd4 n VAL 18 Cb 0.54 -0.63 -0.13 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.00 1.35 0.32 3.52 0.40 -1.26 -4.84 117.98 115.47 1fd4 s PHE 19 Ca 0.00 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 55.70 1fd4 s PHE 19 Cb 0.00 -0.80 -0.09 0.00 0.51 0.00 0.00 43.02 42.63 1fd4 s PHE 19 CO 0.00 0.05 1.06 0.00 0.70 0.00 0.00 175.22 177.03 1fd4 n PRO 21 N 0.74 0.24 -1.85 0.00 -0.02 -1.26 -4.92 135.00 127.93 1fd4 n PRO 21 Ca 0.01 0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 1fd4 n PRO 21 Cb 0.47 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1fd4 n PRO 21 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fd4 s ARG 22 N -3.45 2.72 0.00 -0.52 0.52 -1.26 -2.17 118.95 114.80 1fd4 s ARG 22 Ca 0.69 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1fd4 s ARG 22 Cb -0.31 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1fd4 s ARG 22 CO 0.55 -1.43 0.00 0.54 0.02 0.00 0.00 175.30 174.98 1fd4 n ARG 23 N -1.79 0.00 -3.32 3.54 1.74 -1.26 -4.99 116.66 110.57 1fd4 n ARG 23 Ca 0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.84 1fd4 n ARG 23 Cb 0.49 -1.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.67 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 -2.19 3.33 0.02 -1.55 1.51 -0.92 -4.38 117.35 113.16 1fd4 s TYR 24 Ca 0.00 0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 56.41 1fd4 s TYR 24 Cb 0.00 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1fd4 s TYR 24 CO 0.00 -0.13 0.84 0.21 -1.11 0.00 0.00 175.55 175.37 1fd4 s LYS 25 N 1.73 4.53 0.14 -0.62 2.20 -1.09 -4.71 119.74 121.94 1fd4 s LYS 25 Ca 0.20 1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 1fd4 s LYS 25 Cb -0.15 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1fd4 s LYS 25 CO 0.09 0.12 1.16 -1.14 -0.36 0.00 0.00 175.35 175.22 1fd4 s GLN 26 N 0.47 4.51 0.00 4.03 0.74 -1.26 0.41 119.66 128.56 1fd4 s GLN 26 Ca 0.44 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.63 1fd4 s GLN 26 Cb -0.20 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.62 1fd4 s GLN 26 CO 0.24 -0.08 0.70 0.44 -0.55 0.00 0.00 175.29 176.04 1fd4 n ILE 27 N 2.89 0.49 -3.96 -2.34 -5.35 0.07 -4.91 119.36 106.25 1fd4 n ILE 27 Ca 0.05 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1fd4 n ILE 27 Cb 0.46 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.24 -0.50 3.80 3.28 0.00 -1.21 -3.16 105.19 107.15 1fd4 n GLY 28 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 1.15 -0.29 2.61 -4.23 0.09 -0.79 115.64 111.17 1fd4 s THR 29 Ca 0.00 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1fd4 s THR 29 Cb 0.00 -2.06 0.47 0.00 1.34 0.00 0.00 72.50 72.25 1fd4 s THR 29 CO 0.00 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.23 1fd4 n GLY 31 N -0.63 1.22 3.73 0.00 0.00 -1.22 -3.71 105.19 104.57 1fd4 n GLY 31 Ca 0.29 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 3.42 0.30 0.99 1.43 -1.26 -4.88 118.68 118.67 1fd4 s LEU 32 Ca 0.00 2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 1fd4 s LEU 32 Cb 0.00 -4.59 -0.12 0.00 0.03 0.00 0.00 46.19 41.50 1fd4 s LEU 32 CO 0.00 -2.08 1.42 -2.65 0.23 0.00 0.00 176.35 173.26 1fd4 n PRO 33 N -2.40 2.27 0.00 1.29 -0.02 -1.26 -2.09 135.00 132.80 1fd4 n PRO 33 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1fd4 n PRO 33 Cb 0.50 -2.47 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 1.55 3.42 3.82 -1.23 0.00 -1.26 -5.05 105.19 106.43 1fd4 n GLY 34 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.81 4.05 -0.02 2.61 -4.23 -0.89 -3.92 115.64 110.43 1fd4 s THR 35 Ca 0.00 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 1fd4 s THR 35 Cb 0.00 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.36 1fd4 s THR 35 CO 0.00 -0.62 -0.05 -0.54 -0.54 0.00 0.00 174.62 172.87 1fd4 s LYS 36 N -4.24 0.59 -0.33 3.99 -0.14 0.26 -3.50 119.74 116.37 1fd4 s LYS 36 Ca 0.61 -0.14 -0.18 0.00 -1.36 0.00 0.00 55.97 54.90 1fd4 s LYS 36 Cb -0.14 -0.60 -0.01 0.00 -1.68 0.00 0.00 37.83 35.40 1fd4 s LYS 36 CO 0.39 0.02 0.51 0.00 -0.76 0.00 0.00 175.35 175.50 1fd4 s LYS 39 N 1.32 4.60 0.13 0.00 2.20 0.16 -0.97 119.74 127.19 1fd4 s LYS 39 Ca 0.05 1.54 -0.31 0.00 -0.36 0.00 0.00 55.97 56.88 1fd4 s LYS 39 Cb -0.14 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 1fd4 s LYS 39 CO -0.09 0.05 1.39 0.21 -0.36 0.00 0.00 175.35 176.54 1fd4 s LYS 40 N 0.36 4.32 0.00 4.03 2.20 -1.26 -2.66 119.74 126.74 1fd4 s LYS 40 Ca 0.50 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1fd4 s LYS 40 Cb -0.25 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1fd4 s LYS 40 CO 0.30 -0.42 0.33 -2.30 -0.36 0.00 0.00 175.35 172.90