#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl h LYS 3 N 0.00 0.00 0.00 1.61 1.57 -1.92 0.60 116.57 118.43 3knl h LYS 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knl h LYS 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3knl h LYS 3 CO 0.00 0.00 -1.46 0.41 -0.57 0.00 0.00 179.45 177.83 3knl n GLY 4 N -1.67 -1.15 3.55 3.86 0.00 -1.26 -4.40 105.19 104.12 3knl n GLY 4 Ca 0.21 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3knl n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knl s ASP 5 N -4.42 4.72 0.00 1.61 -1.08 0.21 -4.81 116.67 112.90 3knl s ASP 5 Ca -0.02 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 3knl s ASP 5 Cb 0.13 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 3knl s ASP 5 CO 0.85 -2.77 0.27 0.54 0.52 0.00 0.00 175.17 174.58 3knl n ARG 6 N 9.05 0.30 -0.12 4.34 1.74 -1.26 -2.31 116.66 128.40 3knl n ARG 6 Ca 0.32 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3knl n ARG 6 Cb 0.53 -1.03 0.14 0.00 -1.02 0.00 0.00 32.46 31.07 3knl n ARG 6 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knl n ARG 7 N -0.32 1.23 -3.94 5.56 1.74 -1.26 -4.77 116.66 114.90 3knl n ARG 7 Ca 0.00 -2.54 -0.10 0.00 -0.77 0.00 0.00 57.85 54.45 3knl n ARG 7 Cb 0.02 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 3knl n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3knl s THR 8 N -2.75 0.10 0.00 0.55 -4.23 -0.98 -4.90 115.64 103.43 3knl s THR 8 Ca 0.31 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 3knl s THR 8 Cb 0.27 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.77 3knl s THR 8 CO 0.02 -0.46 0.49 -1.14 -0.54 0.00 0.00 174.62 173.00 3knl n ARG 9 N 1.53 0.00 -0.03 3.99 3.00 -1.25 0.31 116.66 124.20 3knl n ARG 9 Ca -0.23 0.49 -0.08 0.00 -0.00 0.00 0.00 57.85 58.03 3knl n ARG 9 Cb 0.55 -0.74 -0.02 0.00 0.00 0.00 0.00 32.46 32.25 3knl n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knl h ARG 10 N 0.00 -0.14 -0.98 -0.14 3.08 -1.92 -1.18 114.38 113.10 3knl h ARG 10 Ca 0.00 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.32 3knl h ARG 10 Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 3knl h ARG 10 CO 0.00 -0.09 0.68 0.78 -1.07 0.00 0.00 179.97 180.26 3knl h GLY 11 N -0.14 0.49 1.55 0.04 0.00 -0.20 0.41 103.07 105.23 3knl h GLY 11 Ca 0.12 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 3knl h GLY 11 CO -0.29 -0.03 -0.98 1.70 0.00 0.00 0.00 176.54 176.94 3knl h LYS 12 N 0.19 0.00 0.09 4.80 1.63 0.43 -3.18 116.57 120.53 3knl h LYS 12 Ca 0.50 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.30 3knl h LYS 12 Cb 1.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 3knl h LYS 12 CO -0.11 0.48 -0.04 0.82 -3.45 0.00 0.00 179.45 177.14 3knl h ILE 13 N 0.00 0.90 -0.36 2.00 2.04 0.82 -0.16 117.51 122.75 3knl h ILE 13 Ca -0.08 -1.40 0.06 0.00 1.00 0.00 0.00 64.86 64.45 3knl h ILE 13 Cb 1.54 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 39.14 3knl h ILE 13 CO 0.07 0.27 -0.43 -0.25 0.00 0.00 0.00 178.15 177.81 3knl h TRP 14 N -0.92 -1.24 -0.53 1.37 7.01 -0.95 0.21 115.95 120.90 3knl h TRP 14 Ca -0.01 0.07 0.11 0.00 2.11 0.00 0.00 58.89 61.16 3knl h TRP 14 Cb 0.53 0.59 -0.10 0.00 -2.10 0.00 0.00 29.16 28.08 3knl h TRP 14 CO 0.11 -0.45 -0.19 -0.09 -2.79 0.00 0.00 178.44 175.04 3knl h ARG 15 N -0.36 -0.06 0.00 2.65 9.65 -1.65 -3.46 114.38 121.15 3knl h ARG 15 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3knl h ARG 15 Cb 0.59 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3knl h ARG 15 CO -0.54 -0.04 0.00 0.41 2.80 0.00 0.00 179.97 182.60 3knl n GLY 16 N -1.41 0.68 0.41 2.80 0.00 0.75 -5.11 105.19 103.32 3knl n GLY 16 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3knl n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3knl n THR 17 N 0.00 0.00 -4.15 2.61 -2.24 -0.16 -5.03 114.28 105.30 3knl n THR 17 Ca 0.00 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 3knl n THR 17 Cb 0.00 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 3knl n THR 17 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3knl s TYR 18 N -6.34 0.83 0.00 4.78 1.51 -1.26 -4.42 117.35 112.45 3knl s TYR 18 Ca 0.03 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.00 3knl s TYR 18 Cb -0.00 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 3knl s TYR 18 CO 0.02 -0.35 0.00 0.41 -1.11 0.00 0.00 175.55 174.52 3knl n GLY 19 N -0.05 1.55 0.11 0.71 0.00 -0.00 -4.95 105.19 102.56 3knl n GLY 19 Ca -0.10 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3knl n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3knl h LYS 20 N 0.00 0.22 -0.85 1.61 3.64 -1.98 -2.44 116.57 116.78 3knl h LYS 20 Ca 0.00 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 3knl h LYS 20 Cb 0.00 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3knl h LYS 20 CO 0.00 1.18 0.07 0.66 -2.27 0.00 0.00 179.45 179.09 3knl n TYR 21 N -4.11 1.06 -2.66 1.91 4.02 -1.26 -4.21 117.16 111.91 3knl n TYR 21 Ca -0.20 -0.51 -0.03 0.00 -0.01 0.00 0.00 57.90 57.15 3knl n TYR 21 Cb 0.81 -0.35 0.10 0.00 -0.02 0.00 0.00 39.34 39.88 3knl n TYR 21 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3knl n ARG 22 N 0.17 0.11 -0.85 -0.72 0.63 -1.24 -3.79 116.66 110.96 3knl n ARG 22 Ca 0.16 -0.65 -0.30 0.00 -0.92 0.00 0.00 57.85 56.14 3knl n ARG 22 Cb 0.77 -0.13 0.18 0.00 0.45 0.00 0.00 32.46 33.73 3knl n ARG 22 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3knl s PRO 23 N 0.05 0.45 0.00 -0.14 0.02 -0.92 -0.82 135.00 133.63 3knl s PRO 23 Ca 0.22 1.02 0.28 0.00 0.02 0.00 0.00 61.00 62.53 3knl s PRO 23 Cb 0.27 -1.70 1.26 0.00 0.02 0.00 0.00 34.50 34.35 3knl s PRO 23 CO -0.17 -2.85 1.91 0.54 -0.33 0.00 0.00 177.00 176.10 3knl n ARG 24 N -4.33 0.14 0.00 5.54 1.74 -1.26 -4.83 116.66 113.66 3knl n ARG 24 Ca 0.07 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3knl n ARG 24 Cb 0.54 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3knl n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3knl n LYS 25 N -1.42 0.00 0.00 5.56 4.81 -1.26 -5.21 118.16 120.64 3knl n LYS 25 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3knl n LYS 25 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 3knl n LYS 25 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74