#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afe n PHE 1 N 0.00 0.00 -1.70 -1.42 -1.74 0.47 -4.99 117.46 108.07 1afe n PHE 1 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 1afe n PHE 1 Cb 0.00 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 1afe n PHE 1 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1afe n GLY 1 N 0.00 0.61 3.40 4.97 0.00 -1.26 0.47 105.19 113.38 1afe n GLY 1 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1afe n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1afe n SER 1 N 0.60 -1.65 0.00 1.61 2.88 -1.26 -4.20 113.62 111.60 1afe n SER 1 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1afe n SER 1 Cb 0.37 -2.40 0.00 0.00 -0.75 0.00 0.00 64.21 61.43 1afe n SER 1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1afe n GLY 1 N -0.74 1.91 0.00 0.46 0.00 0.18 -4.84 105.19 102.16 1afe n GLY 1 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1afe n GLY 1 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1afe n GLU 1 N 0.00 2.77 0.00 1.61 0.00 -1.26 0.18 120.64 123.93 1afe n GLU 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1afe n GLU 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1afe n GLU 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1afe n ALA 1 N -3.00 2.69 1.07 4.31 0.00 -1.26 -4.63 120.51 119.68 1afe n ALA 1 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1afe n ALA 1 Cb 0.00 0.39 0.21 0.00 0.00 0.00 0.00 19.45 20.06 1afe n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1afe n ASP 1 N -2.71 2.66 -4.48 0.00 2.03 -1.26 -5.02 116.55 107.77 1afe n ASP 1 Ca 0.00 -1.88 -0.38 0.00 0.52 0.00 0.00 54.79 53.05 1afe n ASP 1 Cb 0.39 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.81 1afe n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afe n GLY 2 N 1.73 0.18 3.29 0.00 0.00 -1.26 -4.91 105.19 104.23 1afe n GLY 2 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1afe n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1afe s LEU 3 N 0.00 4.71 0.17 0.99 1.43 -1.15 -5.04 118.68 119.79 1afe s LEU 3 Ca 0.00 -1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 51.55 1afe s LEU 3 Cb 0.00 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 1afe s LEU 3 CO 0.00 -0.41 1.12 -0.13 0.23 0.00 0.00 176.35 177.15 1afe s ARG 4 N 1.44 4.57 0.33 1.70 0.52 -1.26 -4.79 118.95 121.46 1afe s ARG 4 Ca 0.01 1.73 0.01 0.00 -0.52 0.00 0.00 55.73 56.97 1afe s ARG 4 Cb -0.21 -3.28 0.58 0.00 0.52 0.00 0.00 34.95 32.56 1afe s ARG 4 CO 0.03 0.03 1.97 -1.35 0.02 0.00 0.00 175.30 176.00 1afe h PRO 5 N 5.28 0.92 -0.01 3.54 0.11 -1.97 -1.88 132.00 137.99 1afe h PRO 5 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1afe h PRO 5 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1afe h PRO 5 CO 0.73 0.61 -0.36 1.28 -0.21 0.00 0.00 178.00 180.05 1afe n LEU 6 N -4.45 0.91 0.00 2.35 4.32 -1.26 -4.15 117.00 114.73 1afe n LEU 6 Ca 0.09 -0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1afe n LEU 6 Cb 0.10 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1afe n LEU 6 CO 0.35 0.18 0.00 0.49 -1.22 0.00 0.00 177.39 177.19 1afe n PHE 7 N -0.90 0.00 -0.23 -1.77 3.72 -0.82 -4.70 117.46 112.76 1afe n PHE 7 Ca 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1afe n PHE 7 Cb 0.35 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.04 1afe n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1afe h GLU 8 N 0.00 0.30 0.00 -1.08 3.07 -1.57 0.26 114.58 115.56 1afe h GLU 8 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1afe h GLU 8 Cb 0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1afe h GLU 8 CO 0.00 0.20 -0.01 0.87 -1.40 0.00 0.00 179.01 178.66 1afe h LYS 9 N 0.30 0.00 -0.18 2.33 1.79 -1.58 -1.68 116.57 117.55 1afe h LYS 9 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1afe h LYS 9 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1afe h LYS 9 CO -0.44 0.01 0.00 1.63 -1.08 0.00 0.00 179.45 179.57 1afe n LYS 10 N -3.75 1.97 -3.07 3.15 5.02 -0.16 -4.97 118.16 116.34 1afe n LYS 10 Ca -0.03 -1.62 -0.19 0.00 -2.02 0.00 0.00 58.31 54.46 1afe n LYS 10 Cb 0.10 -1.20 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 1afe n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1afe n SER 11 N 0.36 -5.37 -4.65 4.39 2.88 0.14 -5.01 113.62 106.37 1afe n SER 11 Ca 0.08 -0.31 -0.31 0.00 -1.33 0.00 0.00 58.87 57.00 1afe n SER 11 Cb 0.33 -4.12 -0.09 0.00 -0.75 0.00 0.00 64.21 59.59 1afe n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1afe s LEU 12 N -5.71 3.33 0.10 2.46 1.43 0.70 -4.96 118.68 116.03 1afe s LEU 12 Ca 0.34 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1afe s LEU 12 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1afe s LEU 12 CO 0.42 0.20 0.07 -1.61 0.23 0.00 0.00 176.35 175.66 1afe s GLU 13 N -2.07 2.82 0.58 1.70 2.02 -1.26 -3.64 118.70 118.85 1afe s GLU 13 Ca 0.23 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 1afe s GLU 13 Cb -0.11 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.45 1afe s GLU 13 CO 0.15 0.55 0.89 0.16 0.02 0.00 0.00 175.26 177.02 1afe s ASP 14 N -2.51 5.63 0.44 -0.19 1.47 -1.26 -4.97 116.67 115.28 1afe s ASP 14 Ca 0.29 0.71 0.30 0.00 1.18 0.00 0.00 52.55 55.03 1afe s ASP 14 Cb -0.12 -1.73 1.58 0.00 -0.34 0.00 0.00 42.92 42.32 1afe s ASP 14 CO 0.22 -1.03 1.92 0.07 0.68 0.00 0.00 175.17 177.03 1afe h LYS 14 N -0.14 0.00 0.00 2.11 2.10 -2.05 -3.22 116.57 115.37 1afe h LYS 14 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1afe h LYS 14 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1afe h LYS 14 CO 0.61 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.31 1afe n THR 14 N -2.58 0.23 0.20 0.07 -2.24 -1.26 -4.80 114.28 103.89 1afe n THR 14 Ca -0.01 -0.37 0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1afe n THR 14 Cb 0.08 1.16 0.58 0.00 -2.10 0.00 0.00 70.33 70.06 1afe n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1afe h GLU 14 N 0.00 0.13 -0.71 -0.78 4.11 -1.96 -2.40 114.58 112.97 1afe h GLU 14 Ca 0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.58 1afe h GLU 14 Cb 0.46 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1afe h GLU 14 CO 0.00 0.09 0.05 -0.09 0.07 0.00 0.00 179.01 179.13 1afe h ARG 14 N 0.13 0.15 0.00 1.06 1.12 -1.87 -2.42 114.38 112.55 1afe h ARG 14 Ca 0.03 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1afe h ARG 14 Cb -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 1afe h ARG 14 CO -0.01 0.10 0.00 -1.91 -3.11 0.00 0.00 179.97 175.04 1afe n GLU 14 N -5.27 0.00 0.00 0.20 2.13 -0.91 0.58 120.64 117.36 1afe n GLU 14 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1afe n GLU 14 Cb 0.44 -0.78 0.00 0.00 0.27 0.00 0.00 31.44 31.37 1afe n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1afe n LEU 14 N 0.09 0.00 0.21 4.31 7.99 -0.91 -2.26 117.00 126.43 1afe n LEU 14 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.09 1afe n LEU 14 Cb 0.00 0.00 0.38 0.00 -0.11 0.00 0.00 43.42 43.69 1afe n LEU 14 CO 0.00 0.00 0.75 -0.33 -1.51 0.00 0.00 177.39 176.30 1afe h GLU 14 N 0.00 0.00 0.00 3.23 5.08 -0.14 0.47 114.58 123.22 1afe h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1afe h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1afe h GLU 14 CO 0.00 0.27 0.00 0.66 -1.00 0.00 0.00 179.01 178.94 1afe h SER 14 N 0.00 0.00 0.00 1.42 4.64 -1.69 -2.00 113.55 115.92 1afe h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1afe h SER 14 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1afe h SER 14 CO 0.04 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.78 1afe n TYR 14 N -3.06 0.00 -2.48 4.77 4.01 -0.99 -4.71 117.16 114.69 1afe n TYR 14 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1afe n TYR 14 Cb 0.52 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1afe n TYR 14 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1afe n ILE 14 N -0.23 -2.32 -1.30 -0.72 -5.35 -1.09 -4.77 119.36 103.58 1afe n ILE 14 Ca 0.00 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1afe n ILE 14 Cb 0.13 -3.48 0.00 0.00 -1.74 0.00 0.00 39.64 34.55 1afe n ILE 14 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1afe n ASP 14 N -1.80 -5.69 -3.08 7.28 -0.08 -0.77 -5.01 116.55 107.40 1afe n ASP 14 Ca -0.10 0.72 -0.15 0.00 -1.51 0.00 0.00 54.79 53.76 1afe n ASP 14 Cb 0.56 -3.06 0.14 0.00 2.34 0.00 0.00 41.12 41.09 1afe n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1afe n GLY 14 N 0.92 -3.47 0.00 0.27 0.00 0.12 -4.89 105.19 98.15 1afe n GLY 14 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1afe n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19