#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1h s ARG 3 N -0.54 3.31 1.16 0.00 1.81 -1.18 -4.41 118.95 119.09 1d1h s ARG 3 Ca -0.11 -0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 52.93 1d1h s ARG 3 Cb 0.01 -5.13 0.18 0.00 -0.45 0.00 0.00 34.95 29.55 1d1h s ARG 3 CO 0.39 -2.45 0.33 0.98 -0.68 0.00 0.00 175.30 173.86 1d1h n TYR 4 N 10.09 -1.57 -1.47 -0.53 4.19 -1.26 -3.63 117.16 122.98 1d1h n TYR 4 Ca 0.31 -0.01 -0.57 0.00 3.31 0.00 0.00 57.90 60.94 1d1h n TYR 4 Cb 0.50 -1.57 -0.08 0.00 0.49 0.00 0.00 39.34 38.68 1d1h n TYR 4 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1d1h n LEU 5 N -2.78 0.99 0.00 2.98 0.00 -1.26 0.33 117.00 117.25 1d1h n LEU 5 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.03 1d1h n LEU 5 Cb 0.59 -0.74 0.00 0.00 0.00 0.00 0.00 43.42 43.26 1d1h n LEU 5 CO 0.52 -0.74 0.00 0.33 0.00 0.00 0.00 177.39 177.50 1d1h n PHE 6 N 3.30 0.00 -3.64 1.96 7.35 -0.78 -4.96 117.46 120.69 1d1h n PHE 6 Ca 0.26 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.57 1d1h n PHE 6 Cb -0.05 -0.61 -0.11 0.00 0.35 0.00 0.00 39.48 39.06 1d1h n PHE 6 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1d1h s GLY 7 N -2.86 1.88 0.06 7.13 0.00 0.15 -4.80 107.32 108.89 1d1h s GLY 7 Ca 0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 44.72 43.23 1d1h s GLY 7 CO 0.00 0.62 1.22 0.61 0.00 0.00 0.00 173.10 175.56 1d1h n GLY 8 N 5.02 0.15 2.93 0.20 0.00 -1.26 -2.88 105.19 109.35 1d1h n GLY 8 Ca -0.15 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 1d1h n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1h h LYS 10 N 6.13 0.00 0.00 0.00 1.57 -1.87 -3.44 116.57 118.96 1d1h h LYS 10 Ca -0.26 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.30 1d1h h LYS 10 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1d1h h LYS 10 CO 0.47 0.10 -0.10 -2.37 -0.57 0.00 0.00 179.45 176.98 1d1h n THR 11 N -2.84 0.00 0.11 -0.16 5.66 -1.26 -5.02 114.28 110.78 1d1h n THR 11 Ca -0.01 -1.49 -0.03 0.00 -3.05 0.00 0.00 64.05 59.47 1d1h n THR 11 Cb 0.63 0.94 0.15 0.00 -1.55 0.00 0.00 70.33 70.49 1d1h n THR 11 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1d1h h THR 12 N 1.87 1.42 0.00 1.09 2.02 -1.93 -2.68 112.91 114.70 1d1h h THR 12 Ca -0.24 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1d1h h THR 12 Cb 1.03 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1d1h h THR 12 CO 0.32 0.60 0.00 -0.24 0.37 0.00 0.00 175.52 176.57 1d1h n SER 13 N -3.83 0.12 -0.18 4.18 2.88 -1.26 -2.87 113.62 112.66 1d1h n SER 13 Ca -0.02 0.52 0.02 0.00 -1.33 0.00 0.00 58.87 58.06 1d1h n SER 13 Cb 0.62 -0.55 0.05 0.00 -0.75 0.00 0.00 64.21 63.58 1d1h n SER 13 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1d1h n ASP 14 N -1.62 0.53 -4.45 -3.46 9.92 -1.01 -4.84 116.55 111.61 1d1h n ASP 14 Ca 0.06 -2.00 -0.22 0.00 -0.53 0.00 0.00 54.79 52.10 1d1h n ASP 14 Cb 0.30 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.61 1d1h n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d1h n LYS 17 N 0.00 0.00 0.06 0.00 5.02 -1.26 -4.46 118.16 117.52 1d1h n LYS 17 Ca 0.00 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 1d1h n LYS 17 Cb 0.00 -0.58 0.23 0.00 -0.02 0.00 0.00 35.03 34.66 1d1h n LYS 17 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1d1h n HIS 18 N -2.08 0.27 -2.47 2.13 8.25 -1.26 -4.70 115.22 115.35 1d1h n HIS 18 Ca 0.00 0.14 -0.24 0.00 -0.26 0.00 0.00 57.72 57.36 1d1h n HIS 18 Cb 0.00 -0.72 0.05 0.00 1.12 0.00 0.00 29.99 30.44 1d1h n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1d1h s LEU 19 N -3.54 3.13 -0.24 2.41 1.43 -1.26 0.81 118.68 121.42 1d1h s LEU 19 Ca -0.00 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1d1h s LEU 19 Cb 0.03 -3.08 0.10 0.00 0.03 0.00 0.00 46.19 43.27 1d1h s LEU 19 CO 0.09 -1.26 0.52 -0.83 0.23 0.00 0.00 176.35 175.10 1d1h s GLY 20 N -4.42 -0.51 -0.52 -3.19 0.00 0.11 -4.58 107.32 94.21 1d1h s GLY 20 Ca 0.57 1.87 -0.27 0.00 0.00 0.00 0.00 44.72 46.89 1d1h s GLY 20 CO 0.42 2.60 1.89 0.00 0.00 0.00 0.00 173.10 178.01 1d1h s LYS 22 N 6.75 3.90 -0.75 0.00 -0.14 -1.24 -4.40 119.74 123.86 1d1h s LYS 22 Ca 0.74 0.60 -0.24 0.00 -1.36 0.00 0.00 55.97 55.70 1d1h s LYS 22 Cb -0.16 -3.77 -0.24 0.00 -1.68 0.00 0.00 37.83 31.99 1d1h s LYS 22 CO 0.25 -0.83 1.87 1.19 -0.76 0.00 0.00 175.35 177.07 1d1h n PHE 23 N 6.51 0.62 0.00 3.18 3.01 -1.26 -2.16 117.46 127.36 1d1h n PHE 23 Ca 0.06 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1d1h n PHE 23 Cb 0.48 -2.01 0.00 0.00 -0.01 0.00 0.00 39.48 37.94 1d1h n PHE 23 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1d1h n ARG 24 N 7.64 0.00 0.15 -1.08 1.74 -1.26 -4.97 116.66 118.89 1d1h n ARG 24 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1d1h n ARG 24 Cb 0.46 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.17 1d1h n ARG 24 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1d1h h ASP 25 N 0.00 0.06 0.00 0.55 3.32 -1.86 -3.46 116.42 115.03 1d1h h ASP 25 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1d1h h ASP 25 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1d1h h ASP 25 CO 0.00 0.51 0.00 0.29 -1.72 0.00 0.00 179.24 178.32 1d1h n LYS 26 N -3.99 0.00 -1.19 3.56 5.02 -1.24 -4.98 118.16 115.35 1d1h n LYS 26 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1d1h n LYS 26 Cb 0.49 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1d1h n LYS 26 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1d1h n TYR 27 N -1.69 -1.35 -4.34 2.13 0.18 -1.26 -2.25 117.16 108.57 1d1h n TYR 27 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1d1h n TYR 27 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 1d1h n TYR 27 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1d1h s ALA 29 N 0.17 1.44 0.47 0.00 0.00 -0.97 -1.87 121.76 121.01 1d1h s ALA 29 Ca -0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1d1h s ALA 29 Cb -0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 23.12 22.58 1d1h s ALA 29 CO 0.02 0.30 -0.10 0.91 0.00 0.00 0.00 175.76 176.90 1d1h n TRP 30 N 1.93 -2.70 0.00 0.00 5.03 -1.26 0.07 117.44 120.51 1d1h n TRP 30 Ca -0.17 0.46 0.00 0.00 3.03 0.00 0.00 57.50 60.81 1d1h n TRP 30 Cb 0.54 -1.63 0.00 0.00 -1.03 0.00 0.00 31.31 29.19 1d1h n TRP 30 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1d1h n ASP 31 N 2.39 0.00 0.00 -0.99 9.92 0.24 -4.53 116.55 123.58 1d1h n ASP 31 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1d1h n ASP 31 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1d1h n ASP 31 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1d1h n PHE 32 N 0.00 0.00 -3.86 1.24 -0.00 -1.13 -4.73 117.46 108.97 1d1h n PHE 32 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 1d1h n PHE 32 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1d1h n PHE 32 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1d1h s THR 33 N 0.00 1.60 0.00 -2.13 -4.23 -1.26 -4.28 115.64 105.34 1d1h s THR 33 Ca 0.00 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1d1h s THR 33 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1d1h s THR 33 CO 0.00 0.00 0.00 0.33 -0.54 0.00 0.00 174.62 174.41 1d1h n PHE 34 N -1.81 0.00 -0.50 3.99 7.35 -1.26 -5.07 117.46 120.17 1d1h n PHE 34 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1d1h n PHE 34 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 1d1h n PHE 34 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87