#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 n LYS 3 N 0.00 0.39 -0.00 1.61 5.02 -1.26 -2.35 118.16 121.56 3mr8 n LYS 3 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3mr8 n LYS 3 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 3mr8 n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr8 n GLY 4 N -0.22 0.01 3.67 0.72 0.00 -1.26 -4.75 105.19 103.35 3mr8 n GLY 4 Ca 0.09 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3mr8 n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mr8 n ASP 5 N -1.51 3.92 -0.48 1.61 9.92 -0.99 -4.82 116.55 124.20 3mr8 n ASP 5 Ca -0.00 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 3mr8 n ASP 5 Cb 0.09 -1.48 0.00 0.00 -0.64 0.00 0.00 41.12 39.09 3mr8 n ASP 5 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3mr8 n ARG 6 N 6.86 0.86 -2.70 -1.24 0.63 -1.26 -3.58 116.66 116.23 3mr8 n ARG 6 Ca 0.20 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.07 3mr8 n ARG 6 Cb 0.37 -1.41 0.09 0.00 0.45 0.00 0.00 32.46 31.96 3mr8 n ARG 6 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3mr8 n ARG 7 N 0.04 1.26 -4.14 -0.14 1.74 -1.26 -4.98 116.66 109.19 3mr8 n ARG 7 Ca 0.00 -2.25 -0.13 0.00 -0.77 0.00 0.00 57.85 54.69 3mr8 n ARG 7 Cb 0.21 -0.42 -0.07 0.00 -1.02 0.00 0.00 32.46 31.15 3mr8 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mr8 s THR 8 N -1.06 0.00 0.00 0.55 -4.23 -1.23 -5.01 115.64 104.66 3mr8 s THR 8 Ca 0.22 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3mr8 s THR 8 Cb 0.42 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.78 3mr8 s THR 8 CO -0.06 0.00 0.61 -1.14 -0.54 0.00 0.00 174.62 173.49 3mr8 n ARG 9 N -0.44 0.00 0.00 3.99 3.00 -1.26 -2.10 116.66 119.85 3mr8 n ARG 9 Ca 0.02 0.26 0.04 0.00 -0.00 0.00 0.00 57.85 58.17 3mr8 n ARG 9 Cb 0.63 -1.11 0.18 0.00 0.00 0.00 0.00 32.46 32.16 3mr8 n ARG 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3mr8 n ARG 10 N -1.02 0.08 -0.06 -0.14 1.74 -1.26 -2.59 116.66 113.41 3mr8 n ARG 10 Ca 0.00 0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3mr8 n ARG 10 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 3mr8 n ARG 10 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mr8 h GLY 11 N 1.21 0.33 1.55 -0.13 0.00 -1.60 -1.39 103.07 103.04 3mr8 h GLY 11 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 3mr8 h GLY 11 CO 0.00 0.14 -1.12 0.50 0.00 0.00 0.00 176.54 176.05 3mr8 h LYS 12 N 0.26 0.00 -0.65 4.80 6.56 -1.31 -3.27 116.57 122.96 3mr8 h LYS 12 Ca 0.08 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.68 3mr8 h LYS 12 Cb 0.04 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.67 3mr8 h LYS 12 CO -0.01 0.60 0.42 0.82 -2.06 0.00 0.00 179.45 179.22 3mr8 h ILE 13 N 0.00 1.14 -0.06 1.86 5.03 -1.40 0.28 117.51 124.36 3mr8 h ILE 13 Ca -0.10 -0.29 -0.11 0.00 -0.12 0.00 0.00 64.86 64.23 3mr8 h ILE 13 Cb 1.69 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 3mr8 h ILE 13 CO 0.08 0.16 -0.48 -0.25 -0.68 0.00 0.00 178.15 176.98 3mr8 h TRP 14 N 0.85 0.17 -0.04 1.37 7.01 -1.39 -2.64 115.95 121.28 3mr8 h TRP 14 Ca 0.25 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.19 3mr8 h TRP 14 Cb -0.06 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 3mr8 h TRP 14 CO -0.03 0.60 0.00 0.54 -2.79 0.00 0.00 178.44 176.76 3mr8 n ARG 15 N -3.97 1.38 -2.01 2.65 1.74 -0.65 -4.91 116.66 110.88 3mr8 n ARG 15 Ca -0.02 -0.55 -0.16 0.00 -0.77 0.00 0.00 57.85 56.35 3mr8 n ARG 15 Cb 0.52 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3mr8 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr8 n GLY 16 N 1.04 0.37 3.67 -0.13 0.00 0.64 -4.99 105.19 105.78 3mr8 n GLY 16 Ca 0.19 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3mr8 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mr8 s THR 17 N -2.72 0.86 0.00 2.61 -4.23 0.66 -5.01 115.64 107.81 3mr8 s THR 17 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3mr8 s THR 17 Cb 0.00 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3mr8 s THR 17 CO 0.00 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 172.86 3mr8 n TYR 18 N -1.14 0.00 -3.80 3.99 4.02 -1.26 -3.99 117.16 114.98 3mr8 n TYR 18 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 3mr8 n TYR 18 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 3mr8 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mr8 n GLY 19 N 4.27 -0.51 0.12 2.72 0.00 -1.26 -3.66 105.19 106.87 3mr8 n GLY 19 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 3mr8 n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr8 h LYS 20 N 0.00 -0.21 0.00 1.61 3.64 -2.00 -3.34 116.57 116.26 3mr8 h LYS 20 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3mr8 h LYS 20 Cb 0.00 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3mr8 h LYS 20 CO 0.00 -0.14 -0.04 1.88 -2.27 0.00 0.00 179.45 178.88 3mr8 h TYR 21 N -0.90 0.00 -3.36 1.91 -1.99 -1.94 -3.39 116.97 107.30 3mr8 h TYR 21 Ca -0.02 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.10 3mr8 h TYR 21 Cb 0.17 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.77 3mr8 h TYR 21 CO 0.01 0.04 -0.47 0.50 -0.00 0.00 0.00 178.16 178.23 3mr8 s ARG 22 N -4.29 4.17 0.29 4.88 6.06 -1.24 -4.83 118.95 123.99 3mr8 s ARG 22 Ca -0.04 -0.19 -0.30 0.00 -2.50 0.00 0.00 55.73 52.71 3mr8 s ARG 22 Cb 0.13 -3.45 -0.12 0.00 0.06 0.00 0.00 34.95 31.57 3mr8 s ARG 22 CO 0.52 0.22 1.46 -0.35 -2.50 0.00 0.00 175.30 174.65 3mr8 n PRO 23 N 3.75 2.34 -3.81 5.12 -0.04 -1.26 -4.14 135.00 136.96 3mr8 n PRO 23 Ca -0.15 0.83 -0.12 0.00 -0.04 0.00 0.00 63.50 64.01 3mr8 n PRO 23 Cb 0.52 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3mr8 n PRO 23 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3mr8 s ARG 24 N -0.82 0.53 0.00 0.54 6.06 -1.26 -4.89 118.95 119.11 3mr8 s ARG 24 Ca 0.63 -0.16 0.18 0.00 -2.50 0.00 0.00 55.73 53.88 3mr8 s ARG 24 Cb -0.57 0.23 1.10 0.00 0.06 0.00 0.00 34.95 35.78 3mr8 s ARG 24 CO 0.52 -0.13 1.50 1.63 -2.50 0.00 0.00 175.30 176.32