#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd3 s ILE 2 N 0.00 2.81 -0.00 -0.61 1.01 -0.45 -4.92 121.20 119.03 1fd3 s ILE 2 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1fd3 s ILE 2 Cb 0.00 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1fd3 s ILE 2 CO 0.00 0.01 0.66 0.61 0.00 0.00 0.00 174.94 176.22 1fd3 n GLY 3 N 0.55 -1.70 3.19 6.18 0.00 -1.24 -0.54 105.19 111.63 1fd3 n GLY 3 Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1fd3 n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fd3 s ASP 4 N -0.34 -0.13 0.26 1.61 -4.77 -1.24 -3.26 116.67 108.80 1fd3 s ASP 4 Ca 0.01 0.02 -0.00 0.00 -3.30 0.00 0.00 52.55 49.27 1fd3 s ASP 4 Cb 0.01 0.29 0.34 0.00 -1.09 0.00 0.00 42.92 42.46 1fd3 s ASP 4 CO 0.00 -0.40 1.70 -0.65 0.70 0.00 0.00 175.17 176.52 1fd3 h PRO 5 N 4.10 0.61 -0.45 2.11 0.11 -1.84 -2.76 132.00 133.89 1fd3 h PRO 5 Ca -0.30 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1fd3 h PRO 5 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1fd3 h PRO 5 CO 0.40 0.78 0.01 0.28 -0.21 0.00 0.00 178.00 179.25 1fd3 h VAL 6 N 0.55 1.26 -0.38 3.15 2.07 -1.98 -1.85 116.25 119.07 1fd3 h VAL 6 Ca 0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1fd3 h VAL 6 Cb 0.65 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1fd3 h VAL 6 CO 0.05 0.36 0.25 0.74 0.02 0.00 0.00 177.57 178.99 1fd3 h THR 7 N 0.64 1.09 -0.07 2.57 2.02 -1.98 0.31 112.91 117.49 1fd3 h THR 7 Ca 0.13 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1fd3 h THR 7 Cb 0.49 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1fd3 h THR 7 CO 0.02 0.09 -0.34 0.00 0.37 0.00 0.00 175.52 175.67 1fd3 h LEU 9 N -0.45 1.01 -1.87 0.00 3.38 -1.12 -2.58 115.31 113.68 1fd3 h LEU 9 Ca 0.08 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1fd3 h LEU 9 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fd3 h LEU 9 CO -0.33 1.07 0.13 0.11 0.09 0.00 0.00 178.44 179.52 1fd3 h LYS 10 N 0.92 0.17 0.00 1.13 1.57 -0.76 -0.92 116.57 118.69 1fd3 h LYS 10 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fd3 h LYS 10 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1fd3 h LYS 10 CO 0.03 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 1fd3 n SER 11 N -4.50 0.00 0.00 0.86 3.41 -0.86 -4.91 113.62 107.61 1fd3 n SER 11 Ca 0.01 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1fd3 n SER 11 Cb 0.14 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1fd3 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fd3 n GLY 12 N 1.27 0.73 3.95 5.00 0.00 -0.35 -5.09 105.19 110.70 1fd3 n GLY 12 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1fd3 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd3 s ALA 13 N -2.33 3.07 -0.09 4.61 0.00 -1.00 -4.91 121.76 121.11 1fd3 s ALA 13 Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1fd3 s ALA 13 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1fd3 s ALA 13 CO 0.00 -1.62 -0.20 0.42 0.00 0.00 0.00 175.76 174.37 1fd3 s ILE 14 N -3.38 2.48 -0.22 0.00 1.01 -0.19 -4.18 121.20 116.72 1fd3 s ILE 14 Ca 0.65 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 1fd3 s ILE 14 Cb -0.08 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1fd3 s ILE 14 CO 0.47 0.56 0.56 0.00 0.00 0.00 0.00 174.94 176.52 1fd3 s HIS 16 N 2.01 2.94 0.18 0.00 3.76 -0.19 -4.96 115.29 119.03 1fd3 s HIS 16 Ca 0.25 0.00 0.20 0.00 -0.15 0.00 0.00 55.06 55.36 1fd3 s HIS 16 Cb -0.16 -1.63 0.77 0.00 1.11 0.00 0.00 32.58 32.67 1fd3 s HIS 16 CO 0.09 0.40 1.77 -1.00 -0.85 0.00 0.00 174.74 175.15 1fd3 h PRO 17 N 4.54 0.00 0.00 8.40 0.13 -1.88 -0.70 132.00 142.50 1fd3 h PRO 17 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1fd3 h PRO 17 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1fd3 h PRO 17 CO 0.54 0.33 0.00 0.28 -0.23 0.00 0.00 178.00 178.93 1fd3 n VAL 18 N -3.53 0.00 -3.86 1.56 0.31 -1.25 -3.38 118.33 108.18 1fd3 n VAL 18 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1fd3 n VAL 18 Cb 0.47 -0.05 -0.14 0.00 -0.91 0.00 0.00 33.84 33.22 1fd3 n VAL 18 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1fd3 s PHE 19 N -1.11 -0.03 0.54 3.52 0.40 -1.26 -4.78 117.98 115.26 1fd3 s PHE 19 Ca 0.00 0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 56.20 1fd3 s PHE 19 Cb 0.00 0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.49 1fd3 s PHE 19 CO 0.00 -0.02 1.19 0.00 0.70 0.00 0.00 175.22 177.08 1fd3 n PRO 21 N -1.20 0.77 -0.35 0.00 -0.02 -1.26 -4.88 135.00 128.06 1fd3 n PRO 21 Ca 0.11 0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 1fd3 n PRO 21 Cb 0.49 -2.07 0.13 0.00 -0.02 0.00 0.00 33.50 32.03 1fd3 n PRO 21 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1fd3 h ARG 22 N 0.34 -0.00 -0.01 -0.52 2.43 -2.04 -1.94 114.38 112.65 1fd3 h ARG 22 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1fd3 h ARG 22 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1fd3 h ARG 22 CO 0.49 -0.00 -0.26 0.54 -1.51 0.00 0.00 179.97 179.24 1fd3 n ARG 23 N -5.60 0.88 -2.98 0.20 1.74 -1.26 -4.94 116.66 104.69 1fd3 n ARG 23 Ca 0.15 -0.52 -0.33 0.00 -0.77 0.00 0.00 57.85 56.37 1fd3 n ARG 23 Cb 0.48 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1fd3 n ARG 23 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fd3 s TYR 24 N -2.49 3.39 -0.15 -1.55 1.51 -0.73 -4.96 117.35 112.37 1fd3 s TYR 24 Ca 0.24 1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 57.57 1fd3 s TYR 24 Cb 0.19 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.31 1fd3 s TYR 24 CO 0.52 0.04 0.38 0.21 -1.11 0.00 0.00 175.55 175.59 1fd3 s LYS 25 N -2.93 4.28 -0.15 -0.62 2.20 -0.44 -4.82 119.74 117.26 1fd3 s LYS 25 Ca 0.56 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.14 1fd3 s LYS 25 Cb -0.11 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1fd3 s LYS 25 CO 0.16 0.17 1.18 -1.14 -0.36 0.00 0.00 175.35 175.36 1fd3 s GLN 26 N 0.65 4.28 0.00 4.03 0.74 -1.26 -0.48 119.66 127.62 1fd3 s GLN 26 Ca 0.21 1.58 0.04 0.00 0.05 0.00 0.00 55.36 57.24 1fd3 s GLN 26 Cb -0.14 -3.67 0.13 0.00 1.10 0.00 0.00 33.01 30.42 1fd3 s GLN 26 CO 0.07 -0.60 1.10 0.44 -0.55 0.00 0.00 175.29 175.75 1fd3 n ILE 27 N 5.12 1.00 -0.79 -2.34 -5.35 -0.03 -4.92 119.36 112.05 1fd3 n ILE 27 Ca 0.12 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1fd3 n ILE 27 Cb 0.46 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1fd3 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fd3 n GLY 28 N -0.08 -0.15 3.69 3.28 0.00 -1.21 0.19 105.19 110.90 1fd3 n GLY 28 Ca 0.05 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1fd3 n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd3 s THR 29 N -3.73 1.97 -0.56 2.61 -4.23 0.30 -1.27 115.64 110.73 1fd3 s THR 29 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1fd3 s THR 29 Cb 0.00 -2.86 0.45 0.00 1.34 0.00 0.00 72.50 71.43 1fd3 s THR 29 CO 0.00 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.85 1fd3 n GLY 31 N -0.83 1.66 3.71 0.00 0.00 -1.20 -3.93 105.19 104.60 1fd3 n GLY 31 Ca 0.56 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1fd3 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fd3 n LEU 32 N 0.00 5.31 -4.59 0.99 4.77 -1.26 -4.89 117.00 117.33 1fd3 n LEU 32 Ca 0.00 0.91 -0.50 0.00 -0.03 0.00 0.00 56.01 56.39 1fd3 n LEU 32 Cb 0.00 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 1fd3 n LEU 32 CO 0.00 -0.95 0.82 -2.65 -1.33 0.00 0.00 177.39 173.29 1fd3 n PRO 33 N -1.26 1.22 0.00 3.23 -0.02 -1.26 -2.12 135.00 134.79 1fd3 n PRO 33 Ca 0.13 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1fd3 n PRO 33 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1fd3 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd3 n GLY 34 N 2.29 2.71 3.85 -1.23 0.00 -1.26 -5.00 105.19 106.54 1fd3 n GLY 34 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1fd3 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd3 s THR 35 N -2.06 4.44 -0.04 2.61 -4.23 -0.90 -3.75 115.64 111.71 1fd3 s THR 35 Ca 0.00 0.87 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1fd3 s THR 35 Cb 0.00 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.17 1fd3 s THR 35 CO 0.00 -0.96 -0.09 -0.54 -0.54 0.00 0.00 174.62 172.50 1fd3 s LYS 36 N -4.90 1.15 -0.32 3.99 -0.14 -0.27 -3.97 119.74 115.28 1fd3 s LYS 36 Ca 0.57 -0.27 -0.15 0.00 -1.36 0.00 0.00 55.97 54.76 1fd3 s LYS 36 Cb -0.12 -1.04 -0.02 0.00 -1.68 0.00 0.00 37.83 34.97 1fd3 s LYS 36 CO 0.50 0.02 0.35 0.00 -0.76 0.00 0.00 175.35 175.46 1fd3 s LYS 39 N 0.83 2.17 0.00 0.00 2.20 0.37 -1.02 119.74 124.29 1fd3 s LYS 39 Ca -0.10 -0.95 0.16 0.00 -0.36 0.00 0.00 55.97 54.72 1fd3 s LYS 39 Cb -0.16 -2.29 0.98 0.00 -1.51 0.00 0.00 37.83 34.85 1fd3 s LYS 39 CO 0.01 0.54 1.38 1.63 -0.36 0.00 0.00 175.35 178.55