#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 4.64 -0.00 -0.61 1.01 -1.26 -4.90 121.20 120.08 1fd4 s ILE 2 Ca 0.00 1.95 0.10 0.00 0.00 0.00 0.00 60.65 62.70 1fd4 s ILE 2 Cb 0.00 -4.26 0.17 0.00 0.01 0.00 0.00 42.46 38.38 1fd4 s ILE 2 CO 0.00 -0.09 1.07 0.61 0.00 0.00 0.00 174.94 176.53 1fd4 n GLY 3 N 3.26 0.74 3.40 6.18 0.00 -1.24 -1.32 105.19 116.22 1fd4 n GLY 3 Ca 0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.40 -0.46 0.24 1.61 -4.77 -1.20 -2.87 116.67 107.81 1fd4 s ASP 4 Ca 0.13 0.13 -0.06 0.00 -3.30 0.00 0.00 52.55 49.46 1fd4 s ASP 4 Cb 0.15 0.52 0.23 0.00 -1.09 0.00 0.00 42.92 42.73 1fd4 s ASP 4 CO -0.06 -0.77 1.81 -0.65 0.70 0.00 0.00 175.17 176.19 1fd4 h PRO 5 N 2.60 1.13 -0.08 2.11 0.11 -1.83 -2.41 132.00 133.63 1fd4 h PRO 5 Ca -0.31 -0.19 -0.23 0.00 0.11 0.00 0.00 66.00 65.37 1fd4 h PRO 5 Cb 1.23 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.16 1fd4 h PRO 5 CO 0.41 0.90 -0.88 -0.39 -0.21 0.00 0.00 178.00 177.84 1fd4 h VAL 6 N 1.11 1.31 -0.80 3.15 -1.51 -1.97 -0.77 116.25 116.76 1fd4 h VAL 6 Ca 0.26 -2.14 0.05 0.00 -1.23 0.00 0.00 66.70 63.64 1fd4 h VAL 6 Cb 0.19 2.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.47 1fd4 h VAL 6 CO -0.02 0.66 0.49 0.74 -1.23 0.00 0.00 177.57 178.21 1fd4 h THR 7 N 0.42 1.05 0.11 7.19 2.02 -1.97 0.68 112.91 122.42 1fd4 h THR 7 Ca -0.08 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1fd4 h THR 7 Cb 1.51 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1fd4 h THR 7 CO 0.17 0.17 -0.10 0.00 0.37 0.00 0.00 175.52 176.13 1fd4 h LEU 9 N -0.23 0.70 -2.00 0.00 3.38 -0.73 -2.25 115.31 114.18 1fd4 h LEU 9 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1fd4 h LEU 9 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1fd4 h LEU 9 CO -0.02 0.82 -0.07 0.50 0.09 0.00 0.00 178.44 179.77 1fd4 h LYS 10 N 0.65 0.00 -0.00 1.13 3.64 -0.80 -1.05 116.57 120.14 1fd4 h LYS 10 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1fd4 h LYS 10 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1fd4 h LYS 10 CO 0.03 0.07 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.09 1fd4 n SER 11 N -4.20 0.50 0.00 4.20 3.41 -0.88 -4.88 113.62 111.76 1fd4 n SER 11 Ca -0.03 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1fd4 n SER 11 Cb 0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.19 0.73 3.65 5.00 0.00 -0.40 -5.06 105.19 110.30 1fd4 n GLY 12 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1fd4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd4 n ALA 13 N -1.31 1.00 -2.46 4.61 0.00 -0.99 -4.70 120.51 116.66 1fd4 n ALA 13 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 53.44 51.18 1fd4 n ALA 13 Cb 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 1fd4 n ALA 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fd4 s ILE 14 N -2.45 2.86 -0.37 0.00 1.01 0.64 -4.24 121.20 118.66 1fd4 s ILE 14 Ca 0.58 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1fd4 s ILE 14 Cb -0.04 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1fd4 s ILE 14 CO 0.37 0.46 0.40 0.00 0.00 0.00 0.00 174.94 176.17 1fd4 s HIS 16 N 2.07 2.69 0.48 0.00 2.46 0.38 -4.94 115.29 118.43 1fd4 s HIS 16 Ca 0.12 -0.48 -0.24 0.00 0.47 0.00 0.00 55.06 54.94 1fd4 s HIS 16 Cb -0.17 -1.71 -0.07 0.00 -0.13 0.00 0.00 32.58 30.51 1fd4 s HIS 16 CO 0.12 -0.06 1.35 -2.14 -2.47 0.00 0.00 174.74 171.54 1fd4 s PRO 17 N -0.18 3.53 0.00 2.88 0.02 -1.26 -0.33 135.00 139.66 1fd4 s PRO 17 Ca -0.01 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1fd4 s PRO 17 Cb -0.13 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1fd4 s PRO 17 CO 0.03 -0.87 0.00 0.28 -0.33 0.00 0.00 177.00 176.11 1fd4 n VAL 18 N -0.49 0.00 -4.00 3.83 0.31 -0.46 -4.76 118.33 112.76 1fd4 n VAL 18 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 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 0.50 -0.25 3.52 -0.12 -1.26 -4.76 117.98 115.61 1fd4 s PHE 19 Ca 0.00 -0.85 -0.16 0.00 -0.05 0.00 0.00 56.93 55.87 1fd4 s PHE 19 Cb 0.00 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1fd4 s PHE 19 CO 0.00 -0.73 0.44 0.00 -0.05 0.00 0.00 175.22 174.88 1fd4 n PRO 21 N 5.21 0.40 0.20 0.00 -0.02 -1.26 -4.80 135.00 134.73 1fd4 n PRO 21 Ca -0.06 0.15 0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1fd4 n PRO 21 Cb 0.50 -1.39 0.83 0.00 -0.02 0.00 0.00 33.50 33.42 1fd4 n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fd4 h ARG 22 N 0.54 0.00 0.00 -0.52 2.47 -2.04 -0.27 114.38 114.57 1fd4 h ARG 22 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1fd4 h ARG 22 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1fd4 h ARG 22 CO 0.49 0.00 0.00 2.89 0.56 0.00 0.00 179.97 183.91 1fd4 n ARG 23 N -3.69 0.10 -4.17 0.04 1.85 -1.26 -4.75 116.66 104.78 1fd4 n ARG 23 Ca 0.02 0.13 -0.25 0.00 -1.00 0.00 0.00 57.85 56.75 1fd4 n ARG 23 Cb 0.38 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.22 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 -2.85 2.58 -0.11 2.89 1.51 -0.11 -4.42 117.35 116.84 1fd4 s TYR 24 Ca 0.13 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1fd4 s TYR 24 Cb 0.14 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1fd4 s TYR 24 CO 0.36 0.19 -0.24 0.21 -1.11 0.00 0.00 175.55 174.97 1fd4 s LYS 25 N -3.90 3.05 0.10 -0.62 2.20 -0.60 -4.86 119.74 115.12 1fd4 s LYS 25 Ca 0.40 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.83 1fd4 s LYS 25 Cb 0.04 -2.32 -0.08 0.00 -1.51 0.00 0.00 37.83 33.96 1fd4 s LYS 25 CO 0.22 0.15 1.36 -1.14 -0.36 0.00 0.00 175.35 175.58 1fd4 s GLN 26 N 0.42 4.33 0.00 4.03 0.74 -1.26 0.14 119.66 128.07 1fd4 s GLN 26 Ca -0.17 2.03 0.00 0.00 0.05 0.00 0.00 55.36 57.27 1fd4 s GLN 26 Cb -0.18 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1fd4 s GLN 26 CO 0.07 -0.42 0.52 0.44 -0.55 0.00 0.00 175.29 175.36 1fd4 n ILE 27 N 3.96 0.15 -2.36 -2.34 -5.35 0.61 -4.91 119.36 109.12 1fd4 n ILE 27 Ca 0.11 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1fd4 n ILE 27 Cb 0.43 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.07 -0.53 3.69 3.28 0.00 -1.19 -4.43 105.19 105.93 1fd4 n GLY 28 Ca 0.00 -0.85 -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 -3.37 1.41 -0.25 2.61 -4.23 -0.43 -1.24 115.64 110.13 1fd4 s THR 29 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1fd4 s THR 29 Cb 0.00 -2.48 0.48 0.00 1.34 0.00 0.00 72.50 71.84 1fd4 s THR 29 CO 0.00 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.47 1fd4 n GLY 31 N -1.09 1.12 3.74 0.00 0.00 -1.14 -3.42 105.19 104.40 1fd4 n GLY 31 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 3.30 0.09 0.99 1.43 -1.26 -4.88 118.68 118.35 1fd4 s LEU 32 Ca 0.00 2.20 -0.34 0.00 -1.03 0.00 0.00 54.13 54.96 1fd4 s LEU 32 Cb 0.00 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.51 1fd4 s LEU 32 CO 0.00 -2.10 1.65 -2.65 0.23 0.00 0.00 176.35 173.49 1fd4 n PRO 33 N -2.75 2.12 -0.20 1.29 -0.02 -1.26 -1.48 135.00 132.70 1fd4 n PRO 33 Ca 0.12 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1fd4 n PRO 33 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.66 1.61 3.77 -1.23 0.00 -1.26 -4.70 105.19 107.03 1fd4 n GLY 34 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.43 3.12 0.00 2.61 -4.23 -0.55 -1.35 115.64 112.82 1fd4 s THR 35 Ca 0.00 1.05 0.08 0.00 -1.18 0.00 0.00 61.69 61.63 1fd4 s THR 35 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1fd4 s THR 35 CO 0.00 0.19 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.50 1fd4 s LYS 36 N -1.92 2.08 -0.41 3.99 -0.14 0.55 -2.98 119.74 120.91 1fd4 s LYS 36 Ca 0.51 -0.95 -0.18 0.00 -1.36 0.00 0.00 55.97 53.99 1fd4 s LYS 36 Cb -0.34 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.73 1fd4 s LYS 36 CO 0.43 0.55 0.46 0.00 -0.76 0.00 0.00 175.35 176.04 1fd4 s LYS 39 N 0.55 4.33 0.53 0.00 2.20 0.12 -0.26 119.74 127.21 1fd4 s LYS 39 Ca -0.09 0.45 -0.22 0.00 -0.36 0.00 0.00 55.97 55.75 1fd4 s LYS 39 Cb -0.16 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1fd4 s LYS 39 CO 0.04 0.14 1.29 0.15 -0.36 0.00 0.00 175.35 176.60 1fd4 s LYS 40 N 0.70 3.29 0.00 4.03 1.02 -1.26 -1.56 119.74 125.96 1fd4 s LYS 40 Ca 0.26 2.07 0.20 0.00 0.02 0.00 0.00 55.97 58.52 1fd4 s LYS 40 Cb -0.15 -2.26 1.21 0.00 -0.52 0.00 0.00 37.83 36.11 1fd4 s LYS 40 CO 0.10 -1.02 1.60 -0.35 -0.92 0.00 0.00 175.35 174.77