#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqq n ILE 2 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -4.76 119.36 118.14 1fqq n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1fqq n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1fqq n ILE 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fqq n GLY 3 N 0.00 0.05 0.51 7.39 0.00 -1.26 -5.04 105.19 106.84 1fqq n GLY 3 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1fqq n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fqq n ASP 4 N -2.14 -0.31 0.21 1.61 8.00 -1.20 -4.94 116.55 117.78 1fqq n ASP 4 Ca 0.00 -1.22 0.10 0.00 0.71 0.00 0.00 54.79 54.38 1fqq n ASP 4 Cb 0.00 0.52 0.33 0.00 -0.02 0.00 0.00 41.12 41.95 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1fqq h PRO 5 N 0.00 0.00 0.00 -0.24 0.13 -1.53 -0.48 132.00 129.88 1fqq h PRO 5 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1fqq h PRO 5 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1fqq h PRO 5 CO 0.06 0.22 -0.64 0.28 -0.23 0.00 0.00 178.00 177.68 1fqq n VAL 6 N -3.26 1.30 0.10 1.56 0.31 -1.26 -4.34 118.33 112.74 1fqq n VAL 6 Ca 0.01 0.22 0.17 0.00 -0.01 0.00 0.00 64.34 64.73 1fqq n VAL 6 Cb 0.51 -2.28 0.71 0.00 -0.91 0.00 0.00 33.84 31.86 1fqq n VAL 6 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1fqq h THR 7 N -0.89 0.73 -1.14 2.52 2.02 -1.95 0.34 112.91 114.54 1fqq h THR 7 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.51 1fqq h THR 7 Cb 0.64 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1fqq h THR 7 CO 0.00 0.00 0.98 0.00 0.37 0.00 0.00 175.52 176.87 1fqq h LEU 9 N 0.00 0.66 -0.02 0.00 3.38 -1.02 2.97 115.31 121.29 1fqq h LEU 9 Ca 0.54 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1fqq h LEU 9 Cb 2.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.03 1fqq h LEU 9 CO -0.01 1.75 0.00 1.17 0.09 0.00 0.00 178.44 181.45 1fqq n LYS 10 N -3.66 1.01 0.00 1.13 3.00 0.63 -3.59 118.16 116.68 1fqq n LYS 10 Ca -0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1fqq n LYS 10 Cb 1.07 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.68 1fqq n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1fqq n SER 11 N -0.89 0.78 0.00 3.14 2.88 0.52 -5.01 113.62 115.05 1fqq n SER 11 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1fqq n SER 11 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fqq n GLY 12 N 2.49 -0.26 0.00 0.46 0.00 0.94 -4.65 105.19 104.17 1fqq n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq n ALA 13 N -1.96 0.00 -2.74 4.61 0.00 0.18 -4.41 120.51 116.18 1fqq n ALA 13 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1fqq n ALA 13 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1fqq n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1fqq s ILE 14 N 0.00 4.03 -0.25 0.00 -4.36 -0.51 -3.82 121.20 116.30 1fqq s ILE 14 Ca 0.00 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1fqq s ILE 14 Cb 0.00 -3.18 0.03 0.00 1.25 0.00 0.00 42.46 40.55 1fqq s ILE 14 CO 0.00 -0.35 -0.06 0.00 0.24 0.00 0.00 174.94 174.77 1fqq s HIS 16 N 1.32 -0.23 0.53 0.00 -3.43 -0.77 -4.99 115.29 107.72 1fqq s HIS 16 Ca -0.00 0.59 -0.18 0.00 -0.80 0.00 0.00 55.06 54.67 1fqq s HIS 16 Cb -0.17 0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 30.93 1fqq s HIS 16 CO -0.04 -0.17 1.04 -1.25 -2.00 0.00 0.00 174.74 172.32 1fqq s PRO 17 N 0.86 3.60 1.41 -0.38 0.04 -1.26 -0.89 135.00 138.39 1fqq s PRO 17 Ca -0.06 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1fqq s PRO 17 Cb -0.08 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1fqq s PRO 17 CO -0.05 -0.58 0.00 1.33 0.04 0.00 0.00 177.00 177.74 1fqq n VAL 18 N -1.47 0.00 -0.63 -0.36 0.24 -1.25 -4.83 118.33 110.02 1fqq n VAL 18 Ca 0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.23 1fqq n VAL 18 Cb 0.53 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 33.00 1fqq n VAL 18 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 1fqq n PHE 19 N -0.26 -1.94 -3.79 6.34 1.16 -1.26 -4.45 117.46 113.25 1fqq n PHE 19 Ca 0.00 0.23 -0.37 0.00 -1.87 0.00 0.00 57.45 55.44 1fqq n PHE 19 Cb 0.00 -1.39 -0.13 0.00 -1.61 0.00 0.00 39.48 36.35 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fqq s PRO 21 N 1.42 0.92 0.32 0.00 0.04 -1.26 -4.82 135.00 131.62 1fqq s PRO 21 Ca -0.00 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1fqq s PRO 21 Cb -0.18 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1fqq s PRO 21 CO 0.01 -2.33 0.00 0.54 0.04 0.00 0.00 177.00 175.26 1fqq n ARG 22 N -3.84 -2.07 0.00 4.56 5.12 -1.26 -3.78 116.66 115.38 1fqq n ARG 22 Ca 0.08 1.55 0.00 0.00 -1.93 0.00 0.00 57.85 57.55 1fqq n ARG 22 Cb 0.59 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.42 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fqq n ARG 23 N -3.69 0.44 -1.37 5.56 1.74 -1.26 -4.77 116.66 113.30 1fqq n ARG 23 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1fqq n ARG 23 Cb 0.44 -1.02 0.11 0.00 -1.02 0.00 0.00 32.46 30.97 1fqq n ARG 23 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1fqq s TYR 24 N -1.91 2.61 0.08 -1.55 5.04 -1.25 -4.73 117.35 115.63 1fqq s TYR 24 Ca 0.00 1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 55.71 1fqq s TYR 24 Cb 0.00 -3.11 0.04 0.00 0.35 0.00 0.00 41.96 39.24 1fqq s TYR 24 CO 0.00 -1.99 0.43 0.15 -1.34 0.00 0.00 175.55 172.79 1fqq s LYS 25 N -5.02 1.00 0.00 4.97 1.02 -0.55 -4.88 119.74 116.27 1fqq s LYS 25 Ca 0.62 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1fqq s LYS 25 Cb -0.16 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1fqq s LYS 25 CO 0.56 -0.36 0.00 0.94 -0.92 0.00 0.00 175.35 175.56 1fqq n GLN 26 N 0.21 0.00 -1.09 1.68 -0.06 -1.26 -1.32 117.38 115.53 1fqq n GLN 26 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1fqq n GLN 26 Cb 0.61 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.79 1fqq n GLN 26 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1fqq n ILE 27 N 0.00 -0.36 -3.79 1.69 5.41 -0.92 -5.04 119.36 116.35 1fqq n ILE 27 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 1fqq n ILE 27 Cb 0.00 -1.77 -0.17 0.00 -0.71 0.00 0.00 39.64 36.99 1fqq n ILE 27 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1fqq s GLY 28 N -2.48 0.57 0.37 7.39 0.00 -0.87 -4.92 107.32 107.39 1fqq s GLY 28 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1fqq s GLY 28 CO 0.00 1.12 0.07 2.41 0.00 0.00 0.00 173.10 176.70 1fqq n THR 29 N 5.10 0.00 0.00 0.90 -1.04 -1.25 0.21 114.28 118.20 1fqq n THR 29 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1fqq n THR 29 Cb 0.50 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1fqq n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq n GLY 31 N 0.08 -0.16 3.08 0.00 0.00 -1.26 -1.25 105.19 105.69 1fqq n GLY 31 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1fqq n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1fqq n LEU 32 N -2.50 -2.87 -4.61 0.99 -0.00 -1.26 -4.76 117.00 101.99 1fqq n LEU 32 Ca 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 56.01 55.55 1fqq n LEU 32 Cb 0.00 -0.64 -0.02 0.00 -0.00 0.00 0.00 43.42 42.75 1fqq n LEU 32 CO 0.00 -2.77 1.21 -2.16 -0.00 0.00 0.00 177.39 173.67 1fqq s PRO 33 N -2.43 3.71 0.00 1.47 0.04 -1.26 -3.21 135.00 133.32 1fqq s PRO 33 Ca 0.42 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1fqq s PRO 33 Cb 0.03 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1fqq s PRO 33 CO 0.66 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1fqq n GLY 34 N 4.77 0.57 3.83 0.56 0.00 -1.26 -5.03 105.19 108.63 1fqq n GLY 34 Ca 0.16 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1fqq n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqq s THR 35 N -2.98 4.24 -0.31 2.61 2.01 -1.20 -3.91 115.64 116.11 1fqq s THR 35 Ca 0.00 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 1fqq s THR 35 Cb 0.00 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 69.05 1fqq s THR 35 CO 0.00 -0.87 0.14 -0.54 -0.69 0.00 0.00 174.62 172.67 1fqq s LYS 36 N -4.82 0.40 -0.03 4.92 -0.14 -0.07 -3.91 119.74 116.10 1fqq s LYS 36 Ca 0.58 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 1fqq s LYS 36 Cb -0.13 -1.39 -0.05 0.00 -1.68 0.00 0.00 37.83 34.58 1fqq s LYS 36 CO 0.49 -1.05 0.58 0.00 -0.76 0.00 0.00 175.35 174.60 1fqq s LYS 39 N -1.61 1.71 0.26 0.00 0.00 -0.44 -1.42 119.74 118.25 1fqq s LYS 39 Ca -0.02 -1.95 -0.30 0.00 0.00 0.00 0.00 55.97 53.71 1fqq s LYS 39 Cb -0.10 0.33 -0.10 0.00 0.00 0.00 0.00 37.83 37.97 1fqq s LYS 39 CO 0.02 -0.64 1.38 -1.59 0.00 0.00 0.00 175.35 174.52 1fqq s LYS 40 N -3.48 4.31 0.00 1.78 -2.85 -1.26 -1.49 119.74 116.75 1fqq s LYS 40 Ca 0.39 2.24 0.24 0.00 -1.00 0.00 0.00 55.97 57.84 1fqq s LYS 40 Cb 0.03 -3.11 1.43 0.00 -2.06 0.00 0.00 37.83 34.11 1fqq s LYS 40 CO 0.25 -0.33 1.80 -0.35 0.10 0.00 0.00 175.35 176.82