#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 -2.80 119.36 120.10 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 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 4.42 0.86 1.90 7.39 0.00 -1.26 -5.14 105.19 113.36 1fqq n GLY 3 Ca 0.36 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 2.16 0.04 1.61 9.92 -1.12 -4.86 116.55 124.30 1fqq n ASP 4 Ca 0.00 -2.02 -0.02 0.00 -0.53 0.00 0.00 54.79 52.22 1fqq n ASP 4 Cb 0.00 0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1fqq h PRO 5 N 0.00 -0.13 0.22 -0.24 0.13 -1.78 -3.03 132.00 127.16 1fqq h PRO 5 Ca -0.19 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1fqq h PRO 5 Cb 0.65 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1fqq h PRO 5 CO 0.30 -0.09 -0.10 0.28 -0.23 0.00 0.00 178.00 178.16 1fqq h VAL 6 N -0.45 0.00 -1.06 1.56 2.07 -1.84 -3.18 116.25 113.36 1fqq h VAL 6 Ca -0.01 -0.46 0.31 0.00 0.82 0.00 0.00 66.70 67.36 1fqq h VAL 6 Cb 0.11 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1fqq h VAL 6 CO 0.02 0.00 1.08 0.74 0.02 0.00 0.00 177.57 179.43 1fqq h THR 7 N -0.75 0.10 -1.16 2.57 2.02 -1.94 0.74 112.91 114.49 1fqq h THR 7 Ca -0.03 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.49 1fqq h THR 7 Cb 0.22 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1fqq h THR 7 CO 0.05 0.00 1.02 0.00 0.37 0.00 0.00 175.52 176.95 1fqq h LEU 9 N 0.00 0.20 -1.83 0.00 3.38 0.34 1.15 115.31 118.54 1fqq h LEU 9 Ca 0.55 -0.95 0.54 0.00 0.09 0.00 0.00 57.88 58.11 1fqq h LEU 9 Cb 2.57 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 43.18 1fqq h LEU 9 CO -0.01 1.21 1.31 1.17 0.09 0.00 0.00 178.44 182.22 1fqq n LYS 10 N -4.38 -0.00 0.00 1.13 3.00 0.42 -4.19 118.16 114.15 1fqq n LYS 10 Ca -0.14 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1fqq n LYS 10 Cb 0.64 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.33 1fqq n LYS 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1fqq n SER 11 N -3.84 0.00 -0.10 3.14 3.41 -1.01 -5.06 113.62 110.16 1fqq n SER 11 Ca 0.42 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.89 1fqq n SER 11 Cb 1.88 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.73 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fqq n GLY 12 N 0.00 -0.28 0.00 5.00 0.00 0.25 -4.95 105.19 105.21 1fqq n GLY 12 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 0.00 -0.97 4.61 0.00 0.33 -4.35 120.51 117.03 1fqq n ALA 13 Ca -0.36 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.77 1fqq n ALA 13 Cb 0.88 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.00 2.65 -0.31 0.00 -5.25 0.63 -4.19 121.20 112.73 1fqq s ILE 14 Ca 0.00 0.21 -0.07 0.00 -0.99 0.00 0.00 60.65 59.80 1fqq s ILE 14 Cb 0.00 -2.48 0.02 0.00 2.95 0.00 0.00 42.46 42.95 1fqq s ILE 14 CO 0.00 -0.28 0.09 0.00 -1.79 0.00 0.00 174.94 172.96 1fqq s HIS 16 N 1.48 0.14 -1.18 0.00 3.76 -0.57 -5.02 115.29 113.90 1fqq s HIS 16 Ca 0.02 -0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 54.37 1fqq s HIS 16 Cb -0.18 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 1fqq s HIS 16 CO 0.03 -0.61 1.94 -0.35 -0.85 0.00 0.00 174.74 174.89 1fqq n PRO 17 N 5.28 2.30 0.00 8.40 -0.04 -1.26 -1.56 135.00 148.12 1fqq n PRO 17 Ca -0.06 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1fqq n PRO 17 Cb 0.47 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 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 6.44 0.00 -2.99 0.52 0.24 -1.26 -4.96 118.33 116.32 1fqq n VAL 18 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 1fqq n VAL 18 Cb 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1fqq n VAL 18 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fqq n PHE 19 N 0.00 0.00 -3.68 6.34 3.01 -1.26 -4.72 117.46 117.15 1fqq n PHE 19 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1fqq n PHE 19 Cb 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.32 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fqq s PRO 21 N 1.65 0.70 0.16 0.00 0.04 -1.26 -4.84 135.00 131.45 1fqq s PRO 21 Ca 0.10 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1fqq s PRO 21 Cb -0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1fqq s PRO 21 CO -0.26 -2.46 0.00 0.54 0.04 0.00 0.00 177.00 174.86 1fqq n ARG 22 N -3.92 -1.04 0.00 4.56 5.12 -1.26 -4.06 116.66 116.07 1fqq n ARG 22 Ca 0.09 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 1fqq n ARG 22 Cb 0.59 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 -3.09 0.81 0.00 5.56 1.74 -1.26 -4.80 116.66 115.62 1fqq n ARG 23 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1fqq n ARG 23 Cb 0.22 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1fqq n ARG 23 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1fqq n TYR 24 N 0.07 -1.64 -3.51 -1.55 9.36 -1.26 -4.71 117.16 113.92 1fqq n TYR 24 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1fqq n TYR 24 Cb 0.20 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.82 1fqq n TYR 24 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1fqq s LYS 25 N -1.41 0.35 0.29 2.98 -0.14 -0.69 -4.83 119.74 116.29 1fqq s LYS 25 Ca 0.00 0.85 0.06 0.00 -1.36 0.00 0.00 55.97 55.52 1fqq s LYS 25 Cb 0.00 0.04 -0.02 0.00 -1.68 0.00 0.00 37.83 36.17 1fqq s LYS 25 CO 0.00 -0.42 0.35 1.14 -0.76 0.00 0.00 175.35 175.66 1fqq s GLN 26 N 2.60 3.11 0.00 1.68 0.00 -1.26 0.13 119.66 125.92 1fqq s GLN 26 Ca 0.05 -1.00 0.00 0.00 -0.00 0.00 0.00 55.36 54.41 1fqq s GLN 26 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 33.01 30.15 1fqq s GLN 26 CO -0.14 0.25 0.00 0.44 0.00 0.00 0.00 175.29 175.83 1fqq n ILE 27 N -1.43 0.00 -4.19 3.63 -5.35 -0.34 -4.90 119.36 106.78 1fqq n ILE 27 Ca -0.05 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.27 1fqq n ILE 27 Cb 0.58 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.42 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 2.88 0.00 3.28 0.00 -1.01 -4.98 105.19 105.36 1fqq n GLY 28 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.54 0.00 0.00 2.61 -1.04 -1.26 0.35 114.28 114.40 1fqq n THR 29 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1fqq n THR 29 Cb 0.52 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.05 -0.07 3.24 0.00 0.00 -1.26 -3.50 105.19 103.64 1fqq n GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 -2.61 -4.69 0.99 -0.00 -1.26 -4.84 117.00 102.50 1fqq n LEU 32 Ca 0.00 0.22 -0.42 0.00 -0.00 0.00 0.00 56.01 55.81 1fqq n LEU 32 Cb 0.00 -0.99 -0.03 0.00 -0.00 0.00 0.00 43.42 42.40 1fqq n LEU 32 CO 0.00 -4.39 0.98 -2.16 -0.00 0.00 0.00 177.39 171.81 1fqq s PRO 33 N -2.96 4.34 0.00 1.47 0.04 -1.26 -3.39 135.00 133.24 1fqq s PRO 33 Ca 0.50 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1fqq s PRO 33 Cb -0.18 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1fqq s PRO 33 CO 0.73 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1fqq n GLY 34 N 3.41 0.72 3.85 0.56 0.00 -1.26 -5.05 105.19 107.42 1fqq n GLY 34 Ca 0.11 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.90 4.64 -0.31 2.61 2.01 -1.22 -4.48 115.64 115.99 1fqq s THR 35 Ca 0.00 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.00 1fqq s THR 35 Cb 0.00 -3.71 0.08 0.00 0.01 0.00 0.00 72.50 68.88 1fqq s THR 35 CO 0.00 -0.58 -0.01 -0.54 -0.69 0.00 0.00 174.62 172.81 1fqq s LYS 36 N -3.88 1.95 -0.35 4.92 -0.14 -0.60 -4.27 119.74 117.37 1fqq s LYS 36 Ca 0.56 -1.59 -0.13 0.00 -1.36 0.00 0.00 55.97 53.45 1fqq s LYS 36 Cb -0.10 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 32.93 1fqq s LYS 36 CO 0.30 -0.76 0.26 0.00 -0.76 0.00 0.00 175.35 174.38 1fqq s LYS 39 N -0.55 2.17 0.33 0.00 0.00 0.35 0.23 119.74 122.26 1fqq s LYS 39 Ca 0.11 -1.89 -0.29 0.00 0.00 0.00 0.00 55.97 53.90 1fqq s LYS 39 Cb -0.12 -1.91 -0.11 0.00 0.00 0.00 0.00 37.83 35.69 1fqq s LYS 39 CO 0.02 -0.10 1.43 0.21 0.00 0.00 0.00 175.35 176.92 1fqq s LYS 40 N -3.86 4.22 0.00 1.78 2.47 -1.26 -1.70 119.74 121.38 1fqq s LYS 40 Ca 0.40 2.40 0.24 0.00 -1.56 0.00 0.00 55.97 57.45 1fqq s LYS 40 Cb 0.05 -3.04 1.43 0.00 -1.46 0.00 0.00 37.83 34.82 1fqq s LYS 40 CO 0.22 -0.41 1.80 -0.35 0.16 0.00 0.00 175.35 176.76