#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqh s LEU 3 N -2.71 4.31 0.00 0.00 1.43 1.00 -4.66 118.68 118.05 1kqh s LEU 3 Ca 0.03 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1kqh s LEU 3 Cb -0.01 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1kqh s LEU 3 CO -0.10 -0.38 0.00 0.00 0.23 0.00 0.00 176.35 176.10 1kqh n ALA 4 N 4.50 0.00 -2.21 4.21 0.00 -1.26 -0.05 120.51 125.70 1kqh n ALA 4 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1kqh n ALA 4 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1kqh n ALA 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1kqh s GLU 5 N -0.32 4.46 -1.05 0.00 -1.05 -1.26 -3.07 118.70 116.41 1kqh s GLU 5 Ca 0.00 1.84 -0.06 0.00 -0.15 0.00 0.00 54.97 56.60 1kqh s GLU 5 Cb 0.00 -3.29 0.01 0.00 -0.44 0.00 0.00 34.13 30.41 1kqh s GLU 5 CO 0.00 -0.18 0.91 0.00 0.95 0.00 0.00 175.26 176.95 1kqh n ALA 6 N 3.19 -1.08 -2.84 -0.84 0.00 0.38 -4.98 120.51 114.34 1kqh n ALA 6 Ca 0.07 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 1kqh n ALA 6 Cb 0.45 -4.20 -0.11 0.00 0.00 0.00 0.00 19.45 15.60 1kqh n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqh s ALA 7 N -3.25 3.18 0.21 0.00 0.00 -0.86 -4.85 121.76 116.18 1kqh s ALA 7 Ca 0.41 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 1kqh s ALA 7 Cb -0.18 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 1kqh s ALA 7 CO 0.57 0.32 1.54 0.34 0.00 0.00 0.00 175.76 178.52 1kqh s ASP 8 N 0.00 6.57 0.31 0.00 2.15 -1.26 0.33 116.67 124.77 1kqh s ASP 8 Ca 0.03 2.68 -0.08 0.00 0.43 0.00 0.00 52.55 55.61 1kqh s ASP 8 Cb -0.13 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.82 1kqh s ASP 8 CO 0.02 -0.80 0.62 0.00 -0.17 0.00 0.00 175.17 174.84 1kqh s SER 10 N -2.95 7.28 0.09 0.00 0.01 -1.26 -4.72 113.70 112.14 1kqh s SER 10 Ca 0.47 1.72 -0.30 0.00 1.31 0.00 0.00 55.95 59.15 1kqh s SER 10 Cb -0.11 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.40 1kqh s SER 10 CO 0.28 -0.34 1.64 1.55 0.41 0.00 0.00 173.24 176.78 1kqh h PRO 11 N 6.87 -0.62 0.00 12.44 0.13 -1.97 -3.38 132.00 145.47 1kqh h PRO 11 Ca -0.39 0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 1kqh h PRO 11 Cb 1.21 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1kqh h PRO 11 CO 0.78 -0.42 -0.82 0.91 -0.23 0.00 0.00 178.00 178.23 1kqh n TRP 12 N -5.40 0.85 -3.57 1.56 8.01 -1.26 -5.04 117.44 112.59 1kqh n TRP 12 Ca -0.11 0.37 -0.15 0.00 -1.31 0.00 0.00 57.50 56.30 1kqh n TRP 12 Cb 0.30 -0.85 -0.06 0.00 -2.01 0.00 0.00 31.31 28.69 1kqh n TRP 12 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1kqh s SER 13 N -6.11 -0.65 0.00 -0.99 0.01 -1.26 -5.16 113.70 99.54 1kqh s SER 13 Ca -0.20 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1kqh s SER 13 Cb 0.04 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1kqh s SER 13 CO 0.34 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1kqh n GLY 14 N 1.64 -0.80 3.77 3.44 0.00 -1.26 -4.85 105.19 107.11 1kqh n GLY 14 Ca -0.16 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1kqh n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kqh s ASP 15 N -4.00 5.47 0.02 1.61 1.11 -1.26 -4.98 116.67 114.64 1kqh s ASP 15 Ca 0.00 2.25 -0.00 0.00 0.18 0.00 0.00 52.55 54.97 1kqh s ASP 15 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1kqh s ASP 15 CO 0.00 -1.39 0.12 -0.44 1.18 0.00 0.00 175.17 174.63 1kqh s SER 16 N -1.75 5.88 0.29 0.27 0.01 -1.26 -4.52 113.70 112.62 1kqh s SER 16 Ca 0.74 0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.89 1kqh s SER 16 Cb -0.26 -1.73 -0.10 0.00 0.21 0.00 0.00 66.02 64.14 1kqh s SER 16 CO 0.30 0.24 1.36 0.00 0.41 0.00 0.00 173.24 175.56 1kqh s LYS 19 N -4.29 3.55 -0.39 0.00 -0.14 -1.26 -0.67 119.74 116.53 1kqh s LYS 19 Ca 0.70 -0.23 0.01 0.00 -1.36 0.00 0.00 55.97 55.08 1kqh s LYS 19 Cb -0.25 -2.92 0.39 0.00 -1.68 0.00 0.00 37.83 33.36 1kqh s LYS 19 CO 0.51 0.52 1.84 -0.35 -0.76 0.00 0.00 175.35 177.11 1kqh n PRO 20 N 0.13 2.03 -1.69 -1.68 -0.04 -1.26 -5.10 135.00 127.39 1kqh n PRO 20 Ca -0.03 -2.20 -0.33 0.00 -0.04 0.00 0.00 63.50 60.90 1kqh n PRO 20 Cb 0.52 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1kqh n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kqh s TYR 21 N -2.49 2.52 -0.02 0.54 1.51 0.15 -4.29 117.35 115.26 1kqh s TYR 21 Ca 0.43 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 58.07 1kqh s TYR 21 Cb 0.35 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1kqh s TYR 21 CO 0.03 -1.85 -0.06 -1.17 -1.11 0.00 0.00 175.55 171.39 1kqh s LEU 22 N -4.93 1.76 -0.14 -1.29 2.96 -0.61 -4.71 118.68 111.72 1kqh s LEU 22 Ca 0.68 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 1kqh s LEU 22 Cb -0.22 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 1kqh s LEU 22 CO 0.42 0.04 1.31 0.00 -1.32 0.00 0.00 176.35 176.80 1kqh s SER 24 N 2.12 6.88 -0.54 0.00 1.04 0.64 -4.85 113.70 118.99 1kqh s SER 24 Ca 0.57 1.07 0.06 0.00 0.48 0.00 0.00 55.95 58.12 1kqh s SER 24 Cb -0.23 -2.39 0.20 0.00 0.10 0.00 0.00 66.02 63.70 1kqh s SER 24 CO 0.17 -0.17 0.51 0.00 0.98 0.00 0.00 173.24 174.73 1kqh n ILE 26 N 1.87 1.36 -1.39 0.00 -5.35 -1.26 -4.57 119.36 110.01 1kqh n ILE 26 Ca 0.25 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 1kqh n ILE 26 Cb 0.44 -1.47 -0.06 0.00 -1.74 0.00 0.00 39.64 36.81 1kqh n ILE 26 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1kqh n PHE 27 N 2.08 0.00 -3.74 4.28 3.01 -1.26 -4.93 117.46 116.90 1kqh n PHE 27 Ca 0.09 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.42 1kqh n PHE 27 Cb 0.37 -2.92 -0.10 0.00 -0.01 0.00 0.00 39.48 36.82 1kqh n PHE 27 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1kqh s PHE 28 N -2.16 -0.38 0.46 1.38 0.08 -1.26 -5.16 117.98 110.94 1kqh s PHE 28 Ca 0.00 0.88 -0.19 0.00 0.12 0.00 0.00 56.93 57.74 1kqh s PHE 28 Cb 0.00 0.14 -0.10 0.00 -0.57 0.00 0.00 43.02 42.50 1kqh s PHE 28 CO 0.00 -0.25 0.95 -0.47 -0.10 0.00 0.00 175.22 175.34 1kqh s TYR 29 N -0.15 3.37 0.02 0.36 5.04 -1.26 -4.20 117.35 120.53 1kqh s TYR 29 Ca -0.03 1.52 -0.18 0.00 -2.44 0.00 0.00 57.07 55.94 1kqh s TYR 29 Cb -0.03 -2.80 -0.06 0.00 0.35 0.00 0.00 41.96 39.42 1kqh s TYR 29 CO 0.02 -0.20 0.51 -1.25 -1.34 0.00 0.00 175.55 173.29 1kqh s PRO 30 N -3.52 4.15 0.23 4.97 0.05 -1.26 -5.12 135.00 134.50 1kqh s PRO 30 Ca 0.60 0.60 -0.30 0.00 0.05 0.00 0.00 61.00 61.95 1kqh s PRO 30 Cb -0.09 -3.27 -0.09 0.00 0.05 0.00 0.00 34.50 31.10 1kqh s PRO 30 CO 0.20 0.56 0.96 0.00 0.05 0.00 0.00 177.00 178.78 1kqh s SER 32 N -0.99 -0.19 0.11 0.00 1.04 -0.70 -0.20 113.70 112.77 1kqh s SER 32 Ca 0.42 0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.90 1kqh s SER 32 Cb -0.26 0.37 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 1kqh s SER 32 CO 0.33 -0.06 1.43 0.00 0.98 0.00 0.00 173.24 175.92 1kqh s ARG 34 N 1.34 1.71 0.67 0.00 1.81 0.73 0.14 118.95 125.36 1kqh s ARG 34 Ca 0.66 -1.27 -0.17 0.00 -1.72 0.00 0.00 55.73 53.23 1kqh s ARG 34 Cb -0.37 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 1kqh s ARG 34 CO 0.30 0.46 1.28 -2.14 -0.68 0.00 0.00 175.30 174.52 1kqh s PRO 35 N -2.27 2.41 -0.07 3.54 0.02 -1.26 -1.57 135.00 135.80 1kqh s PRO 35 Ca 0.18 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 1kqh s PRO 35 Cb -0.10 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1kqh s PRO 35 CO 0.10 -1.70 1.06 0.21 -0.33 0.00 0.00 177.00 176.34 1kqh s LYS 36 N -3.50 4.43 0.00 5.54 2.47 -1.26 -2.92 119.74 124.50 1kqh s LYS 36 Ca 0.81 1.49 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 1kqh s LYS 36 Cb -0.36 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.49 1kqh s LYS 36 CO 0.41 -0.30 0.00 0.41 0.16 0.00 0.00 175.35 176.03 1kqh n GLY 37 N 3.14 1.13 0.23 5.54 0.00 -1.26 -5.07 105.19 108.90 1kqh n GLY 37 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1kqh n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11