#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 -0.30 -0.61 5.41 -1.26 -2.13 119.36 120.47 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 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 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 2.96 0.85 2.41 7.39 0.00 -1.26 -5.10 105.19 112.44 1fqq n GLY 3 Ca 0.24 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1fqq n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fqq n ASP 4 N -0.27 -0.23 0.02 1.61 3.85 -0.90 -5.00 116.55 115.62 1fqq n ASP 4 Ca 0.00 -2.63 -0.10 0.00 -0.71 0.00 0.00 54.79 51.35 1fqq n ASP 4 Cb 0.10 1.16 -0.07 0.00 -1.35 0.00 0.00 41.12 40.96 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.20 177.74 1fqq h PRO 5 N 0.00 -0.15 0.00 0.11 0.13 -1.87 -2.94 132.00 127.28 1fqq h PRO 5 Ca -0.19 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1fqq h PRO 5 Cb 0.90 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1fqq h PRO 5 CO 0.28 0.31 0.00 0.28 -0.23 0.00 0.00 178.00 178.64 1fqq n VAL 6 N -4.85 0.00 -0.24 1.56 0.31 -1.26 -3.50 118.33 110.34 1fqq n VAL 6 Ca -0.07 0.66 0.29 0.00 -0.01 0.00 0.00 64.34 65.21 1fqq n VAL 6 Cb 0.26 -1.55 0.44 0.00 -0.91 0.00 0.00 33.84 32.09 1fqq n VAL 6 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1fqq n THR 7 N -1.79 0.00 -0.57 2.52 -1.04 -1.26 0.85 114.28 112.98 1fqq n THR 7 Ca 0.00 1.23 0.46 0.00 -2.04 0.00 0.00 64.05 63.70 1fqq n THR 7 Cb 0.00 -2.19 0.78 0.00 -1.82 0.00 0.00 70.33 67.10 1fqq n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq h LEU 9 N 0.02 0.39 -1.80 0.00 3.38 0.27 0.41 115.31 117.98 1fqq h LEU 9 Ca 0.82 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1fqq h LEU 9 Cb 3.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.82 1fqq h LEU 9 CO -0.08 1.04 0.08 0.50 0.09 0.00 0.00 178.44 180.07 1fqq h LYS 10 N -0.22 0.00 0.00 1.13 1.63 0.36 1.04 116.57 120.51 1fqq h LYS 10 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1fqq h LYS 10 Cb 1.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1fqq h LYS 10 CO 0.08 0.00 -0.87 0.43 -3.45 0.00 0.00 179.45 175.64 1fqq n SER 11 N -2.49 0.65 0.00 4.20 7.64 -0.17 -4.94 113.62 118.51 1fqq n SER 11 Ca -0.02 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1fqq n SER 11 Cb 0.12 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fqq n GLY 12 N 1.43 0.51 3.74 0.23 0.00 0.36 -4.99 105.19 106.46 1fqq n GLY 12 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq s ALA 13 N -2.11 2.31 0.18 4.61 0.00 0.14 -4.88 121.76 122.01 1fqq s ALA 13 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1fqq s ALA 13 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1fqq s ALA 13 CO 0.00 -1.56 0.27 0.96 0.00 0.00 0.00 175.76 175.42 1fqq s ILE 14 N -1.89 5.09 -0.25 0.00 -4.36 0.13 -4.25 121.20 115.66 1fqq s ILE 14 Ca 0.75 -0.88 -0.07 0.00 -0.26 0.00 0.00 60.65 60.18 1fqq s ILE 14 Cb -0.29 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 39.74 1fqq s ILE 14 CO 0.41 -0.17 0.07 0.00 0.24 0.00 0.00 174.94 175.49 1fqq s HIS 16 N 1.61 0.01 -1.10 0.00 -3.43 -0.45 -5.01 115.29 106.92 1fqq s HIS 16 Ca 0.06 -0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 53.91 1fqq s HIS 16 Cb -0.15 -0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 30.33 1fqq s HIS 16 CO 0.04 -0.63 2.05 -0.35 -2.00 0.00 0.00 174.74 173.85 1fqq n PRO 17 N 5.29 2.15 0.00 -0.38 -0.04 -1.26 -1.06 135.00 139.71 1fqq n PRO 17 Ca -0.06 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1fqq n PRO 17 Cb 0.48 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1fqq n PRO 17 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1fqq n VAL 18 N 5.69 0.00 -4.18 0.52 0.24 -1.26 -4.95 118.33 114.39 1fqq n VAL 18 Ca 0.50 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.73 1fqq n VAL 18 Cb 0.40 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.00 0.24 -3.81 6.34 1.16 -1.26 -4.66 117.46 115.47 1fqq n PHE 19 Ca 0.00 -0.64 -0.34 0.00 -1.87 0.00 0.00 57.45 54.60 1fqq n PHE 19 Cb 0.00 -0.07 -0.11 0.00 -1.61 0.00 0.00 39.48 37.69 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 -0.07 0.74 0.11 0.00 0.04 -1.26 -4.79 135.00 129.78 1fqq s PRO 21 Ca 0.16 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1fqq s PRO 21 Cb -0.22 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1fqq s PRO 21 CO -0.02 -2.44 0.00 0.54 0.04 0.00 0.00 177.00 175.12 1fqq n ARG 22 N -3.90 -0.81 0.00 4.56 5.12 -1.26 -3.92 116.66 116.45 1fqq n ARG 22 Ca 0.09 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1fqq n ARG 22 Cb 0.59 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 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 -2.57 0.57 -1.87 5.56 1.74 -1.26 -4.77 116.66 114.06 1fqq n ARG 23 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1fqq n ARG 23 Cb 0.18 -1.09 0.04 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.70 3.39 0.06 -1.55 5.04 -1.25 -4.59 117.35 116.75 1fqq s TYR 24 Ca 0.00 1.13 -0.24 0.00 -2.44 0.00 0.00 57.07 55.51 1fqq s TYR 24 Cb 0.00 -2.97 0.06 0.00 0.35 0.00 0.00 41.96 39.40 1fqq s TYR 24 CO 0.00 -1.06 0.57 0.15 -1.34 0.00 0.00 175.55 173.87 1fqq s LYS 25 N -5.30 1.10 0.00 4.97 1.02 -0.51 -4.86 119.74 116.16 1fqq s LYS 25 Ca 0.57 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1fqq s LYS 25 Cb -0.11 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.71 1fqq s LYS 25 CO 0.53 -0.41 0.00 0.94 -0.92 0.00 0.00 175.35 175.48 1fqq n GLN 26 N 0.31 0.00 0.00 1.68 -0.06 -1.26 -1.53 117.38 116.51 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 0.44 -0.20 0.00 0.00 177.06 177.30 1fqq n ILE 27 N 0.00 0.00 -3.26 1.69 -5.35 -1.01 -5.01 119.36 106.42 1fqq n ILE 27 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1fqq n ILE 27 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1fqq n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fqq n GLY 28 N 0.00 3.28 0.00 3.28 0.00 -0.27 -4.88 105.19 106.59 1fqq n GLY 28 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1fqq n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fqq n THR 29 N -0.44 0.00 0.14 2.61 -1.04 -1.25 0.20 114.28 114.50 1fqq n THR 29 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1fqq n THR 29 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.83 4.37 0.10 0.00 0.00 -1.26 -4.10 105.19 105.13 1fqq n GLY 31 Ca 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 0.72 -2.55 0.99 -0.00 -1.26 -4.37 117.00 110.54 1fqq n LEU 32 Ca 0.00 0.28 -0.17 0.00 -0.00 0.00 0.00 56.01 56.13 1fqq n LEU 32 Cb 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.30 1fqq n LEU 32 CO 0.00 -0.12 1.91 -0.81 -0.00 0.00 0.00 177.39 178.37 1fqq n PRO 33 N -2.64 2.00 -3.20 1.47 -0.04 -1.26 -4.66 135.00 126.67 1fqq n PRO 33 Ca -0.02 -1.15 -0.17 0.00 -0.04 0.00 0.00 63.50 62.12 1fqq n PRO 33 Cb 0.59 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1fqq n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fqq n GLY 34 N 3.03 -0.11 3.46 0.55 0.00 -1.26 -4.75 105.19 106.11 1fqq n GLY 34 Ca 0.43 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1fqq n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fqq n THR 35 N -2.50 0.91 -3.87 2.61 -1.04 -1.26 -4.79 114.28 104.34 1fqq n THR 35 Ca -0.07 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.05 61.31 1fqq n THR 35 Cb 0.28 -0.73 -0.14 0.00 -1.82 0.00 0.00 70.33 67.93 1fqq n THR 35 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fqq s LYS 36 N -3.35 2.95 -0.20 -2.82 -0.14 -0.22 -3.87 119.74 112.09 1fqq s LYS 36 Ca 0.62 -0.92 -0.08 0.00 -1.36 0.00 0.00 55.97 54.22 1fqq s LYS 36 Cb -0.27 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1fqq s LYS 36 CO 0.62 -0.42 0.09 0.00 -0.76 0.00 0.00 175.35 174.88 1fqq n LYS 39 N 0.53 0.21 -2.13 0.00 5.02 -0.58 0.17 118.16 121.37 1fqq n LYS 39 Ca -0.15 -1.59 -0.40 0.00 -2.02 0.00 0.00 58.31 54.16 1fqq n LYS 39 Cb 0.55 1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 36.84 1fqq n LYS 39 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1fqq s LYS 40 N -2.65 4.12 0.00 1.97 -2.85 -1.26 -1.43 119.74 117.64 1fqq s LYS 40 Ca 0.19 2.10 0.24 0.00 -1.00 0.00 0.00 55.97 57.50 1fqq s LYS 40 Cb 0.01 -2.85 1.43 0.00 -2.06 0.00 0.00 37.83 34.36 1fqq s LYS 40 CO 0.13 -0.35 1.80 -0.35 0.10 0.00 0.00 175.35 176.68