#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrq n LYS 3 N 0.00 0.02 0.00 1.61 5.02 -1.26 0.27 118.16 123.82 2wrq n LYS 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrq n LYS 3 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2wrq n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrq n GLY 4 N 0.77 1.00 3.38 0.72 0.00 -1.26 -4.68 105.19 105.13 2wrq n GLY 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2wrq n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wrq n ASP 5 N 0.00 2.46 0.09 1.61 -0.08 0.14 -4.68 116.55 116.10 2wrq n ASP 5 Ca 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 2wrq n ASP 5 Cb 0.03 -1.35 0.02 0.00 2.34 0.00 0.00 41.12 42.16 2wrq n ASP 5 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2wrq n ARG 6 N 7.74 0.01 -0.08 -0.67 1.74 -1.26 1.00 116.66 125.14 2wrq n ARG 6 Ca 0.47 0.29 0.12 0.00 -0.77 0.00 0.00 57.85 57.95 2wrq n ARG 6 Cb 0.44 -2.15 0.31 0.00 -1.02 0.00 0.00 32.46 30.04 2wrq n ARG 6 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrq n ARG 7 N -1.45 2.03 -3.89 5.56 1.74 -1.26 -4.41 116.66 114.97 2wrq n ARG 7 Ca -0.00 -1.53 -0.26 0.00 -0.77 0.00 0.00 57.85 55.29 2wrq n ARG 7 Cb 0.62 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 2wrq n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wrq s THR 8 N -1.80 1.75 0.00 0.55 -4.23 0.28 -4.79 115.64 107.41 2wrq s THR 8 Ca 0.34 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2wrq s THR 8 Cb 0.20 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2wrq s THR 8 CO 0.30 0.00 0.61 -1.14 -0.54 0.00 0.00 174.62 173.85 2wrq n ARG 9 N -1.71 0.00 0.00 3.99 3.00 -1.26 -2.66 116.66 118.02 2wrq n ARG 9 Ca -0.02 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 2wrq n ARG 9 Cb 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.97 2wrq n ARG 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wrq n ARG 10 N -1.02 0.00 -0.20 -0.14 1.74 -1.26 0.52 116.66 116.30 2wrq n ARG 10 Ca 0.00 0.41 0.02 0.00 -0.77 0.00 0.00 57.85 57.52 2wrq n ARG 10 Cb 0.00 -0.68 0.06 0.00 -1.02 0.00 0.00 32.46 30.82 2wrq n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrq n GLY 11 N -0.89 -0.97 0.35 -0.13 0.00 -1.24 0.34 105.19 102.66 2wrq n GLY 11 Ca 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 2wrq n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wrq h LYS 12 N 0.00 -0.56 -0.16 1.61 1.63 0.31 -2.77 116.57 116.63 2wrq h LYS 12 Ca 0.24 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2wrq h LYS 12 Cb 0.38 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 2wrq h LYS 12 CO -0.56 -0.38 -0.45 0.82 -3.45 0.00 0.00 179.45 175.44 2wrq h ILE 13 N -0.58 0.00 -0.69 2.00 2.04 0.65 -1.51 117.51 119.41 2wrq h ILE 13 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2wrq h ILE 13 Cb 0.60 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 2wrq h ILE 13 CO -0.18 0.00 -0.52 -0.25 0.00 0.00 0.00 178.15 177.21 2wrq h TRP 14 N -0.44 -1.63 -0.70 1.37 7.01 -1.15 0.65 115.95 121.06 2wrq h TRP 14 Ca 0.03 0.10 0.20 0.00 2.11 0.00 0.00 58.89 61.34 2wrq h TRP 14 Cb 0.54 0.80 -0.03 0.00 -2.10 0.00 0.00 29.16 28.38 2wrq h TRP 14 CO -0.60 -0.37 0.51 -0.09 -2.79 0.00 0.00 178.44 175.10 2wrq h ARG 15 N -0.14 0.00 -0.93 2.65 2.43 -1.25 -3.46 114.38 113.68 2wrq h ARG 15 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2wrq h ARG 15 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wrq h ARG 15 CO -0.72 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.15 2wrq n GLY 16 N -1.67 0.82 0.00 2.80 0.00 0.23 -5.12 105.19 102.25 2wrq n GLY 16 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2wrq n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wrq n THR 17 N -0.47 0.00 -2.77 2.61 -2.24 -1.12 -5.03 114.28 105.26 2wrq n THR 17 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2wrq n THR 17 Cb 0.17 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.45 2wrq n THR 17 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2wrq s TYR 18 N -2.00 2.39 0.00 4.78 1.51 -1.26 -4.11 117.35 118.66 2wrq s TYR 18 Ca 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 2wrq s TYR 18 Cb 0.00 -2.63 0.00 0.00 -0.11 0.00 0.00 41.96 39.22 2wrq s TYR 18 CO 0.00 -0.97 0.00 0.41 -1.11 0.00 0.00 175.55 173.88 2wrq n GLY 19 N -2.31 2.72 0.12 0.71 0.00 0.25 -4.93 105.19 101.76 2wrq n GLY 19 Ca 0.10 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2wrq n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wrq h LYS 20 N 0.00 0.19 0.00 1.61 3.64 -1.98 -3.23 116.57 116.80 2wrq h LYS 20 Ca 0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2wrq h LYS 20 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2wrq h LYS 20 CO 0.00 1.15 0.00 0.66 -2.27 0.00 0.00 179.45 178.99 2wrq n TYR 21 N -3.91 0.00 -3.24 1.91 4.02 -1.26 -4.25 117.16 110.44 2wrq n TYR 21 Ca -0.29 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.55 2wrq n TYR 21 Cb 0.89 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.19 2wrq n TYR 21 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2wrq s ARG 22 N -2.00 0.78 0.33 -0.72 3.52 -1.22 -4.49 118.95 115.16 2wrq s ARG 22 Ca 0.09 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 2wrq s ARG 22 Cb 0.04 -0.15 -0.10 0.00 -1.56 0.00 0.00 34.95 33.18 2wrq s ARG 22 CO 0.07 -1.20 1.37 -2.14 -0.81 0.00 0.00 175.30 172.59 2wrq s PRO 23 N 1.67 4.28 -1.36 5.12 0.02 -1.22 0.88 135.00 144.38 2wrq s PRO 23 Ca 0.17 2.32 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 2wrq s PRO 23 Cb -0.07 -3.05 0.08 0.00 0.02 0.00 0.00 34.50 31.48 2wrq s PRO 23 CO -0.06 -0.31 1.95 -2.13 -0.33 0.00 0.00 177.00 176.13 2wrq n ARG 24 N 0.91 3.11 -0.17 5.54 0.63 -1.26 -4.89 116.66 120.54 2wrq n ARG 24 Ca 0.01 -3.06 0.02 0.00 -0.92 0.00 0.00 57.85 53.91 2wrq n ARG 24 Cb 0.41 -3.29 -0.01 0.00 0.45 0.00 0.00 32.46 30.03 2wrq n ARG 24 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2wrq n LYS 25 N 6.50 -0.35 0.00 -0.14 4.81 -1.26 -5.19 118.16 122.53 2wrq n LYS 25 Ca 0.48 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2wrq n LYS 25 Cb 0.41 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 35.03 2wrq n LYS 25 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93