#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 5.26 -0.02 -0.61 1.01 -1.26 -4.94 121.20 120.65 1fd4 s ILE 2 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1fd4 s ILE 2 Cb 0.00 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.93 1fd4 s ILE 2 CO 0.00 0.22 1.01 0.61 0.00 0.00 0.00 174.94 176.78 1fd4 n GLY 3 N 4.90 1.16 3.26 6.18 0.00 -1.24 -1.02 105.19 118.42 1fd4 n GLY 3 Ca -0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.29 -0.15 0.33 1.61 -4.77 -1.18 -2.88 116.67 108.34 1fd4 s ASP 4 Ca 0.06 -0.14 0.06 0.00 -3.30 0.00 0.00 52.55 49.23 1fd4 s ASP 4 Cb 0.05 0.36 0.57 0.00 -1.09 0.00 0.00 42.92 42.81 1fd4 s ASP 4 CO 0.01 -0.61 1.79 1.55 0.70 0.00 0.00 175.17 178.61 1fd4 h PRO 5 N 3.24 0.31 -0.30 2.11 0.13 -1.77 -2.16 132.00 133.55 1fd4 h PRO 5 Ca -0.31 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1fd4 h PRO 5 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1fd4 h PRO 5 CO 0.45 0.55 -0.04 0.28 -0.23 0.00 0.00 178.00 179.01 1fd4 h VAL 6 N 0.28 1.27 -0.72 1.56 2.07 -1.96 -0.91 116.25 117.84 1fd4 h VAL 6 Ca 0.04 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1fd4 h VAL 6 Cb 0.60 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1fd4 h VAL 6 CO 0.04 0.33 0.35 0.74 0.02 0.00 0.00 177.57 179.05 1fd4 h THR 7 N 0.34 1.24 -0.07 2.57 2.02 -1.95 0.23 112.91 117.29 1fd4 h THR 7 Ca 0.08 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1fd4 h THR 7 Cb 0.50 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1fd4 h THR 7 CO 0.02 0.28 -0.15 0.00 0.37 0.00 0.00 175.52 176.04 1fd4 h LEU 9 N -0.21 0.72 -1.77 0.00 3.38 -0.86 -2.01 115.31 114.56 1fd4 h LEU 9 Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1fd4 h LEU 9 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1fd4 h LEU 9 CO -0.20 1.17 -0.06 0.50 0.09 0.00 0.00 178.44 179.94 1fd4 h LYS 10 N 0.47 0.07 0.00 1.13 1.63 -0.41 -0.64 116.57 118.82 1fd4 h LYS 10 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1fd4 h LYS 10 Cb 1.20 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1fd4 h LYS 10 CO 0.12 0.14 0.00 -1.13 -3.45 0.00 0.00 179.45 175.13 1fd4 n SER 11 N -4.43 0.00 0.00 4.20 3.41 -0.48 -4.86 113.62 111.47 1fd4 n SER 11 Ca -0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1fd4 n SER 11 Cb 0.16 -0.07 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 0.58 0.56 2.76 5.00 0.00 -0.25 -5.07 105.19 108.78 1fd4 n GLY 12 Ca 0.17 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 0.28 0.29 -2.90 4.61 0.00 -0.79 -5.02 120.51 116.98 1fd4 n ALA 13 Ca 0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 53.44 51.71 1fd4 n ALA 13 Cb 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.01 2.49 -0.21 0.00 1.01 -0.54 -4.37 121.20 117.57 1fd4 s ILE 14 Ca 0.46 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1fd4 s ILE 14 Cb -0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1fd4 s ILE 14 CO 0.30 0.56 0.39 0.00 0.00 0.00 0.00 174.94 176.20 1fd4 s HIS 16 N 1.44 3.12 -0.17 0.00 3.76 0.35 -4.97 115.29 118.82 1fd4 s HIS 16 Ca 0.18 0.14 0.23 0.00 -0.15 0.00 0.00 55.06 55.46 1fd4 s HIS 16 Cb -0.15 -1.73 0.55 0.00 1.11 0.00 0.00 32.58 32.36 1fd4 s HIS 16 CO 0.08 0.46 1.67 -1.00 -0.85 0.00 0.00 174.74 175.10 1fd4 h PRO 17 N 4.76 0.00 0.00 8.40 0.13 -1.89 0.65 132.00 144.05 1fd4 h PRO 17 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fd4 h PRO 17 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1fd4 h PRO 17 CO 0.56 0.17 -0.38 0.28 -0.23 0.00 0.00 178.00 178.39 1fd4 n VAL 18 N -3.19 0.00 -3.69 1.56 0.31 -1.26 -3.70 118.33 108.36 1fd4 n VAL 18 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1fd4 n VAL 18 Cb 0.53 -0.52 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.68 -0.20 -0.19 3.52 -0.71 -1.26 -4.72 117.98 112.74 1fd4 s PHE 19 Ca 0.00 0.10 -0.29 0.00 -1.04 0.00 0.00 56.93 55.70 1fd4 s PHE 19 Cb 0.00 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1fd4 s PHE 19 CO 0.00 -0.56 1.03 0.00 -1.34 0.00 0.00 175.22 174.35 1fd4 n PRO 21 N 5.89 0.15 0.27 0.00 -0.02 -1.26 -4.85 135.00 135.18 1fd4 n PRO 21 Ca 0.11 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1fd4 n PRO 21 Cb 0.47 -1.76 0.76 0.00 -0.02 0.00 0.00 33.50 32.94 1fd4 n PRO 21 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1fd4 h ARG 22 N -0.65 0.00 0.00 -0.52 0.11 -2.03 -1.33 114.38 109.96 1fd4 h ARG 22 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1fd4 h ARG 22 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1fd4 h ARG 22 CO 0.40 0.09 0.00 2.89 0.10 0.00 0.00 179.97 183.44 1fd4 n ARG 23 N -3.81 0.37 -4.38 0.08 1.85 -1.26 -4.71 116.66 104.80 1fd4 n ARG 23 Ca -0.02 0.06 -0.22 0.00 -1.00 0.00 0.00 57.85 56.67 1fd4 n ARG 23 Cb 0.19 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.99 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 -2.25 1.98 -0.09 2.89 1.51 -0.50 -4.55 117.35 116.34 1fd4 s TYR 24 Ca 0.20 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1fd4 s TYR 24 Cb 0.10 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1fd4 s TYR 24 CO 0.20 0.45 -0.00 0.15 -1.11 0.00 0.00 175.55 175.24 1fd4 s LYS 25 N -3.13 3.00 -0.06 -0.62 1.02 -0.36 -4.78 119.74 114.81 1fd4 s LYS 25 Ca 0.21 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 1fd4 s LYS 25 Cb -0.05 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1fd4 s LYS 25 CO 0.09 0.69 1.18 -1.14 -0.92 0.00 0.00 175.35 175.25 1fd4 s GLN 26 N -0.84 4.36 0.00 1.68 0.74 -1.26 -1.69 119.66 122.65 1fd4 s GLN 26 Ca 0.13 1.64 0.04 0.00 0.05 0.00 0.00 55.36 57.22 1fd4 s GLN 26 Cb -0.11 -3.56 0.04 0.00 1.10 0.00 0.00 33.01 30.47 1fd4 s GLN 26 CO 0.02 -0.44 0.65 0.44 -0.55 0.00 0.00 175.29 175.41 1fd4 n ILE 27 N 4.62 0.02 -2.98 -2.34 -5.35 0.18 -4.98 119.36 108.53 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 0.46 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 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 -0.52 3.54 3.28 0.00 -1.19 -4.30 105.19 106.24 1fd4 n GLY 28 Ca 0.03 -0.93 -0.25 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 -3.21 1.95 -0.35 2.61 -4.23 -0.19 -0.73 115.64 111.50 1fd4 s THR 29 Ca 0.00 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1fd4 s THR 29 Cb 0.00 -2.75 0.49 0.00 1.34 0.00 0.00 72.50 71.57 1fd4 s THR 29 CO 0.00 -0.13 1.48 0.00 -0.54 0.00 0.00 174.62 175.43 1fd4 n GLY 31 N -0.97 2.05 3.64 0.00 0.00 -1.14 -2.98 105.19 105.78 1fd4 n GLY 31 Ca 0.41 -0.25 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 1fd4 n GLY 31 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fd4 n LEU 32 N 0.00 2.16 -4.60 0.99 7.94 -1.26 -4.83 117.00 117.40 1fd4 n LEU 32 Ca 0.00 1.09 -0.48 0.00 -1.11 0.00 0.00 56.01 55.51 1fd4 n LEU 32 Cb 0.00 -1.22 -0.04 0.00 0.53 0.00 0.00 43.42 42.69 1fd4 n LEU 32 CO 0.00 -0.71 0.81 -2.65 -1.11 0.00 0.00 177.39 173.73 1fd4 n PRO 33 N 3.71 1.39 0.00 1.96 -0.02 -1.26 -1.68 135.00 139.10 1fd4 n PRO 33 Ca 0.21 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1fd4 n PRO 33 Cb 0.19 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.11 2.82 3.79 -1.23 0.00 -1.26 -5.04 105.19 106.38 1fd4 n GLY 34 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.94 3.78 0.00 2.61 -4.23 -0.68 -4.11 115.64 111.07 1fd4 s THR 35 Ca 0.00 1.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.76 1fd4 s THR 35 Cb 0.00 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1fd4 s THR 35 CO 0.00 -0.17 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.14 1fd4 s LYS 36 N -3.03 1.73 -0.23 3.99 -0.14 0.22 -2.97 119.74 119.31 1fd4 s LYS 36 Ca 0.65 -0.86 -0.16 0.00 -1.36 0.00 0.00 55.97 54.24 1fd4 s LYS 36 Cb -0.18 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1fd4 s LYS 36 CO 0.22 0.47 0.42 0.00 -0.76 0.00 0.00 175.35 175.69 1fd4 s LYS 39 N -0.53 0.49 0.24 0.00 2.20 -0.68 -1.47 119.74 119.99 1fd4 s LYS 39 Ca 0.07 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 1fd4 s LYS 39 Cb -0.08 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.38 1fd4 s LYS 39 CO -0.01 -0.10 1.21 0.15 -0.36 0.00 0.00 175.35 176.24 1fd4 s LYS 40 N -0.54 4.49 0.00 4.03 1.02 -1.26 -1.23 119.74 126.25 1fd4 s LYS 40 Ca -0.06 1.95 0.09 0.00 0.02 0.00 0.00 55.97 57.96 1fd4 s LYS 40 Cb -0.04 -3.19 0.52 0.00 -0.52 0.00 0.00 37.83 34.61 1fd4 s LYS 40 CO 0.02 -0.05 0.97 -2.30 -0.92 0.00 0.00 175.35 173.08