#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 -1.85 4.32 0.00 0.00 1.43 0.02 -4.65 118.68 117.94 1kqh s LEU 3 Ca -0.07 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1kqh s LEU 3 Cb -0.02 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1kqh s LEU 3 CO -0.01 -0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.36 1kqh n ALA 4 N 4.04 0.00 -2.25 4.21 0.00 -1.26 -0.01 120.51 125.23 1kqh n ALA 4 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1kqh n ALA 4 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.82 4.35 -1.15 0.00 1.03 -1.26 -2.89 118.70 117.96 1kqh s GLU 5 Ca 0.00 1.97 -0.07 0.00 0.03 0.00 0.00 54.97 56.89 1kqh s GLU 5 Cb 0.00 -3.32 0.01 0.00 -0.80 0.00 0.00 34.13 30.02 1kqh s GLU 5 CO 0.00 -0.40 1.01 0.00 -1.33 0.00 0.00 175.26 174.54 1kqh n ALA 6 N 4.13 -1.13 -2.79 -0.84 0.00 0.25 -4.99 120.51 115.13 1kqh n ALA 6 Ca 0.11 0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 1kqh n ALA 6 Cb 0.44 -4.73 -0.09 0.00 0.00 0.00 0.00 19.45 15.06 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 -3.27 3.44 0.34 0.00 0.00 -0.80 -4.85 121.76 116.62 1kqh s ALA 7 Ca 0.49 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 1kqh s ALA 7 Cb -0.22 -1.77 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1kqh s ALA 7 CO 0.62 0.41 1.30 0.16 0.00 0.00 0.00 175.76 178.25 1kqh s ASP 8 N -0.34 6.72 0.05 0.00 1.47 -1.26 0.67 116.67 123.99 1kqh s ASP 8 Ca 0.08 2.67 0.00 0.00 1.18 0.00 0.00 52.55 56.49 1kqh s ASP 8 Cb -0.12 -2.65 -0.04 0.00 -0.34 0.00 0.00 42.92 39.77 1kqh s ASP 8 CO 0.02 -0.57 0.17 0.00 0.68 0.00 0.00 175.17 175.47 1kqh s SER 10 N -2.34 7.34 0.03 0.00 0.01 -1.26 -4.43 113.70 113.06 1kqh s SER 10 Ca 0.32 1.73 -0.26 0.00 1.31 0.00 0.00 55.95 59.04 1kqh s SER 10 Cb -0.13 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.36 1kqh s SER 10 CO 0.24 -0.27 1.42 1.55 0.41 0.00 0.00 173.24 176.59 1kqh h PRO 11 N 6.68 -0.40 0.00 12.44 0.13 -1.98 -3.36 132.00 145.51 1kqh h PRO 11 Ca -0.41 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1kqh h PRO 11 Cb 1.22 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1kqh h PRO 11 CO 0.76 -0.13 -0.00 -1.49 -0.23 0.00 0.00 178.00 176.90 1kqh h TRP 12 N -0.63 -0.00 -1.44 1.56 6.55 -2.06 -3.48 115.95 116.44 1kqh h TRP 12 Ca -0.04 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.90 1kqh h TRP 12 Cb 0.45 0.00 -0.28 0.00 -0.86 0.00 0.00 29.16 28.47 1kqh h TRP 12 CO -0.00 0.96 0.59 -1.54 -1.05 0.00 0.00 178.44 177.39 1kqh s SER 13 N -6.19 -0.33 0.00 -3.49 1.04 -1.26 -5.18 113.70 98.29 1kqh s SER 13 Ca -0.19 0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1kqh s SER 13 Cb -0.03 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1kqh s SER 13 CO 0.68 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.38 1kqh n GLY 14 N 1.89 0.78 3.77 7.32 0.00 -1.26 -4.79 105.19 112.90 1kqh n GLY 14 Ca -0.11 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 0.06 6.63 0.46 1.61 1.11 -1.26 -4.95 116.67 120.32 1kqh s ASP 15 Ca 0.00 2.50 -0.16 0.00 0.18 0.00 0.00 52.55 55.07 1kqh s ASP 15 Cb 0.00 -2.63 -0.08 0.00 1.07 0.00 0.00 42.92 41.28 1kqh s ASP 15 CO 0.00 -0.61 0.91 -0.44 1.18 0.00 0.00 175.17 176.21 1kqh s SER 16 N -0.84 6.67 0.32 0.27 0.01 -1.26 -4.53 113.70 114.34 1kqh s SER 16 Ca 0.53 1.47 -0.29 0.00 1.31 0.00 0.00 55.95 58.97 1kqh s SER 16 Cb -0.35 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.31 1kqh s SER 16 CO 0.45 -0.47 1.42 0.00 0.41 0.00 0.00 173.24 175.05 1kqh s LYS 19 N -2.82 4.29 -0.54 0.00 -0.14 -1.26 0.08 119.74 119.35 1kqh s LYS 19 Ca 0.69 1.04 -0.00 0.00 -1.36 0.00 0.00 55.97 56.34 1kqh s LYS 19 Cb -0.38 -2.56 0.47 0.00 -1.68 0.00 0.00 37.83 33.67 1kqh s LYS 19 CO 0.46 0.19 1.97 -0.35 -0.76 0.00 0.00 175.35 176.86 1kqh n PRO 20 N 0.06 2.39 -2.68 -1.68 -0.04 -1.26 -5.11 135.00 126.67 1kqh n PRO 20 Ca 0.03 -2.88 -0.35 0.00 -0.04 0.00 0.00 63.50 60.26 1kqh n PRO 20 Cb 0.52 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.29 3.35 0.01 0.54 1.51 0.11 -3.86 117.35 115.72 1kqh s TYR 21 Ca 0.56 1.66 0.06 0.00 -1.01 0.00 0.00 57.07 58.34 1kqh s TYR 21 Cb 0.45 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 1kqh s TYR 21 CO 0.03 -0.29 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.83 1kqh s LEU 22 N -2.76 2.10 0.00 -1.29 2.96 -0.57 -4.53 118.68 114.58 1kqh s LEU 22 Ca 0.58 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 1kqh s LEU 22 Cb -0.17 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 1kqh s LEU 22 CO 0.21 0.17 1.32 0.00 -1.32 0.00 0.00 176.35 176.73 1kqh s SER 24 N 1.60 5.55 -0.74 0.00 1.04 0.75 -4.86 113.70 117.05 1kqh s SER 24 Ca 0.61 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1kqh s SER 24 Cb -0.30 -1.94 0.30 0.00 0.10 0.00 0.00 66.02 64.18 1kqh s SER 24 CO 0.26 0.18 1.05 0.00 0.98 0.00 0.00 173.24 175.71 1kqh n ILE 26 N 0.48 1.34 -1.71 0.00 -0.00 -1.26 -4.57 119.36 113.64 1kqh n ILE 26 Ca 0.32 -0.48 -0.18 0.00 -0.00 0.00 0.00 62.75 62.41 1kqh n ILE 26 Cb 0.37 -1.45 -0.06 0.00 -0.00 0.00 0.00 39.64 38.50 1kqh n ILE 26 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1kqh n PHE 27 N 2.04 -0.20 -4.84 4.28 3.01 -1.26 -4.98 117.46 115.52 1kqh n PHE 27 Ca 0.08 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.28 1kqh n PHE 27 Cb 0.37 -3.19 -0.16 0.00 -0.01 0.00 0.00 39.48 36.48 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 -2.72 1.78 -0.16 1.38 0.40 -1.26 -5.12 117.98 112.27 1kqh s PHE 28 Ca 0.00 -0.58 -0.18 0.00 -0.60 0.00 0.00 56.93 55.57 1kqh s PHE 28 Cb 0.00 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1kqh s PHE 28 CO 0.00 -0.23 0.49 -0.47 0.70 0.00 0.00 175.22 175.71 1kqh s TYR 29 N 0.22 3.44 0.69 0.36 5.04 -1.26 -3.57 117.35 122.26 1kqh s TYR 29 Ca -0.08 0.81 0.04 0.00 -2.44 0.00 0.00 57.07 55.39 1kqh s TYR 29 Cb -0.13 -2.60 0.13 0.00 0.35 0.00 0.00 41.96 39.71 1kqh s TYR 29 CO 0.03 0.03 0.95 -1.25 -1.34 0.00 0.00 175.55 173.98 1kqh s PRO 30 N 1.13 1.79 0.64 4.97 0.04 -1.26 -5.15 135.00 137.16 1kqh s PRO 30 Ca 0.24 -1.43 -0.11 0.00 0.04 0.00 0.00 61.00 59.74 1kqh s PRO 30 Cb -0.15 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1kqh s PRO 30 CO 0.10 -1.34 1.04 0.00 0.04 0.00 0.00 177.00 176.84 1kqh s SER 32 N -3.94 -0.27 0.13 0.00 1.04 -0.52 -0.14 113.70 110.01 1kqh s SER 32 Ca 0.57 0.52 -0.31 0.00 0.48 0.00 0.00 55.95 57.20 1kqh s SER 32 Cb -0.12 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 1kqh s SER 32 CO 0.52 -0.12 1.44 0.00 0.98 0.00 0.00 173.24 176.06 1kqh s ARG 34 N 1.11 1.15 0.61 0.00 1.81 0.65 0.84 118.95 125.12 1kqh s ARG 34 Ca 0.66 -1.30 -0.18 0.00 -1.72 0.00 0.00 55.73 53.19 1kqh s ARG 34 Cb -0.39 -1.18 -0.05 0.00 -0.45 0.00 0.00 34.95 32.88 1kqh s ARG 34 CO 0.30 0.24 0.88 -2.30 -0.68 0.00 0.00 175.30 173.74 1kqh n PRO 35 N 0.52 0.78 -1.52 3.54 -0.02 -1.26 -1.51 135.00 135.53 1kqh n PRO 35 Ca -0.15 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1kqh n PRO 35 Cb 0.56 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1kqh n PRO 35 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1kqh n LYS 36 N -0.91 2.70 0.00 -0.52 4.81 -1.25 -2.33 118.16 120.67 1kqh n LYS 36 Ca 0.14 -2.36 0.00 0.00 -0.87 0.00 0.00 58.31 55.22 1kqh n LYS 36 Cb 0.48 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.41 1kqh n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kqh n GLY 37 N 4.09 -0.13 3.56 3.14 0.00 -1.26 -5.08 105.19 109.50 1kqh n GLY 37 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1kqh n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11