#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n LYS 3 N 0.00 0.00 -0.00 1.61 5.02 -1.26 -0.06 118.16 123.47 2wh1 n LYS 3 Ca 0.00 0.10 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2wh1 n LYS 3 Cb 0.00 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 2wh1 n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh1 n GLY 4 N -1.00 0.80 3.56 0.72 0.00 -1.26 -4.72 105.19 103.29 2wh1 n GLY 4 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2wh1 n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh1 s ASP 5 N -1.21 5.83 0.51 1.61 -1.08 0.91 -4.81 116.67 118.43 2wh1 s ASP 5 Ca 0.00 -1.14 0.38 0.00 -0.52 0.00 0.00 52.55 51.27 2wh1 s ASP 5 Cb 0.01 -2.57 1.54 0.00 -1.46 0.00 0.00 42.92 40.44 2wh1 s ASP 5 CO 0.05 -2.12 1.68 0.03 0.52 0.00 0.00 175.17 175.32 2wh1 h ARG 6 N 10.41 0.06 -1.91 4.34 3.08 -1.85 -1.69 114.38 126.82 2wh1 h ARG 6 Ca 0.16 -0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.90 2wh1 h ARG 6 Cb 1.00 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.92 2wh1 h ARG 6 CO 1.32 0.04 0.10 0.54 -1.07 0.00 0.00 179.97 180.90 2wh1 n ARG 7 N -4.29 2.00 -3.87 0.04 1.74 -1.26 -4.25 116.66 106.77 2wh1 n ARG 7 Ca 0.35 -1.50 -0.09 0.00 -0.77 0.00 0.00 57.85 55.84 2wh1 n ARG 7 Cb 1.51 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 31.04 2wh1 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wh1 s THR 8 N -0.96 0.01 0.00 0.55 -4.23 -0.63 -4.98 115.64 105.40 2wh1 s THR 8 Ca 0.50 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2wh1 s THR 8 Cb 0.29 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2wh1 s THR 8 CO -0.09 -0.05 0.72 -1.14 -0.54 0.00 0.00 174.62 173.52 2wh1 n ARG 9 N -0.38 0.00 0.12 3.99 3.00 -1.26 -0.37 116.66 121.76 2wh1 n ARG 9 Ca -0.05 0.51 0.20 0.00 -0.00 0.00 0.00 57.85 58.51 2wh1 n ARG 9 Cb 0.61 -1.22 0.76 0.00 0.00 0.00 0.00 32.46 32.62 2wh1 n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh1 h ARG 10 N 0.00 0.00 -0.04 -0.14 3.08 -1.92 -1.68 114.38 113.69 2wh1 h ARG 10 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2wh1 h ARG 10 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2wh1 h ARG 10 CO 0.00 0.00 -0.43 0.78 -1.07 0.00 0.00 179.97 179.25 2wh1 h GLY 11 N 0.00 -1.19 1.60 0.04 0.00 -0.84 0.32 103.07 103.00 2wh1 h GLY 11 Ca 0.17 0.66 -0.24 0.00 0.00 0.00 0.00 47.33 47.92 2wh1 h GLY 11 CO -0.00 -0.29 -1.03 0.50 0.00 0.00 0.00 176.54 175.72 2wh1 h LYS 12 N -0.52 0.34 0.11 4.80 6.56 -0.56 -2.75 116.57 124.55 2wh1 h LYS 12 Ca 0.01 -0.42 0.02 0.00 -1.06 0.00 0.00 60.65 59.20 2wh1 h LYS 12 Cb 0.57 0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.31 2wh1 h LYS 12 CO -0.31 1.13 -0.47 0.82 -2.06 0.00 0.00 179.45 178.56 2wh1 h ILE 13 N 0.16 0.09 -0.03 1.86 2.04 -1.14 1.74 117.51 122.22 2wh1 h ILE 13 Ca -0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2wh1 h ILE 13 Cb 1.70 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2wh1 h ILE 13 CO 0.17 0.00 0.02 -0.25 0.00 0.00 0.00 178.15 178.10 2wh1 h TRP 14 N -0.69 0.00 0.00 1.37 7.01 -1.03 0.37 115.95 122.98 2wh1 h TRP 14 Ca 0.01 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.86 2wh1 h TRP 14 Cb 0.72 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 2wh1 h TRP 14 CO -0.41 0.00 -0.75 -0.09 -2.79 0.00 0.00 178.44 174.40 2wh1 h ARG 15 N 0.00 0.00 0.00 2.65 9.65 -0.57 -3.47 114.38 122.64 2wh1 h ARG 15 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2wh1 h ARG 15 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2wh1 h ARG 15 CO -0.00 0.75 0.00 0.41 2.80 0.00 0.00 179.97 183.93 2wh1 n GLY 16 N 0.68 0.83 3.94 2.80 0.00 0.57 -5.03 105.19 108.97 2wh1 n GLY 16 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wh1 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh1 s THR 17 N -3.23 2.49 0.16 2.61 -4.23 -0.78 -4.99 115.64 107.68 2wh1 s THR 17 Ca 0.00 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2wh1 s THR 17 Cb 0.00 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2wh1 s THR 17 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 2wh1 s TYR 18 N -2.52 1.62 0.00 3.99 1.51 -1.26 -4.31 117.35 116.38 2wh1 s TYR 18 Ca 0.50 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 2wh1 s TYR 18 Cb -0.05 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 2wh1 s TYR 18 CO 0.30 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 2wh1 n GLY 19 N 0.17 1.52 0.31 0.71 0.00 -1.10 -4.94 105.19 101.87 2wh1 n GLY 19 Ca -0.12 -0.69 0.18 0.00 0.00 0.00 0.00 46.02 45.39 2wh1 n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wh1 h LYS 20 N 0.00 0.00 -0.03 1.61 3.64 -1.99 -0.87 116.57 118.92 2wh1 h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wh1 h LYS 20 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wh1 h LYS 20 CO 0.00 0.00 -0.08 0.66 -2.27 0.00 0.00 179.45 177.76 2wh1 n TYR 21 N -3.60 0.00 -2.75 1.91 4.02 -1.26 -4.60 117.16 110.88 2wh1 n TYR 21 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.78 2wh1 n TYR 21 Cb 0.09 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.47 2wh1 n TYR 21 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wh1 n ARG 22 N 1.01 0.85 -0.95 -0.72 0.63 -0.42 -4.15 116.66 112.91 2wh1 n ARG 22 Ca 0.14 -1.80 -0.29 0.00 -0.92 0.00 0.00 57.85 54.98 2wh1 n ARG 22 Cb 0.56 -1.34 0.21 0.00 0.45 0.00 0.00 32.46 32.34 2wh1 n ARG 22 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2wh1 s PRO 23 N 0.55 -0.38 -1.15 -0.14 0.02 -0.70 -2.69 135.00 130.51 2wh1 s PRO 23 Ca 0.29 0.49 -0.10 0.00 0.02 0.00 0.00 61.00 61.70 2wh1 s PRO 23 Cb 0.25 -1.65 0.25 0.00 0.02 0.00 0.00 34.50 33.37 2wh1 s PRO 23 CO -0.19 -3.27 1.24 0.54 -0.33 0.00 0.00 177.00 174.99 2wh1 n ARG 24 N -4.55 3.53 -0.69 5.54 1.74 -1.26 -4.93 116.66 116.05 2wh1 n ARG 24 Ca 0.05 -4.27 0.09 0.00 -0.77 0.00 0.00 57.85 52.96 2wh1 n ARG 24 Cb 0.57 -2.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 2wh1 n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wh1 n LYS 25 N 3.52 -1.50 0.00 5.56 4.81 -1.26 -5.24 118.16 124.05 2wh1 n LYS 25 Ca 0.28 1.13 0.00 0.00 -0.87 0.00 0.00 58.31 58.85 2wh1 n LYS 25 Cb 0.40 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2wh1 n LYS 25 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93