#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 0.00 3.18 0.00 0.00 1.81 -1.02 -4.34 118.95 118.58 1d1h s ARG 3 Ca 0.00 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 1d1h s ARG 3 Cb 0.00 -4.17 0.00 0.00 -0.45 0.00 0.00 34.95 30.33 1d1h s ARG 3 CO 0.00 -2.12 0.00 0.98 -0.68 0.00 0.00 175.30 173.48 1d1h n TYR 4 N 9.76 -0.50 -2.36 -0.53 9.36 -1.26 -3.20 117.16 128.42 1d1h n TYR 4 Ca 0.08 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.88 1d1h n TYR 4 Cb 0.49 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.18 1d1h n TYR 4 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1d1h s LEU 5 N 0.00 4.25 0.00 2.98 2.96 -1.26 -2.74 118.68 124.87 1d1h s LEU 5 Ca 0.00 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 1d1h s LEU 5 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1d1h s LEU 5 CO 0.00 -0.71 0.00 0.33 -1.32 0.00 0.00 176.35 174.65 1d1h n PHE 6 N 5.96 0.00 -3.99 5.38 -0.00 -0.89 -4.95 117.46 118.97 1d1h n PHE 6 Ca 0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.23 1d1h n PHE 6 Cb 0.45 -0.51 -0.08 0.00 -0.00 0.00 0.00 39.48 39.33 1d1h n PHE 6 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1d1h s GLY 7 N -2.82 1.99 0.13 7.13 0.00 -1.11 -4.79 107.32 107.85 1d1h s GLY 7 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 44.72 43.68 1d1h s GLY 7 CO 0.00 -0.15 1.79 0.61 0.00 0.00 0.00 173.10 175.35 1d1h n GLY 8 N 2.88 1.58 3.13 0.20 0.00 -1.26 -1.86 105.19 109.86 1d1h n GLY 8 Ca -0.18 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 5.84 0.00 0.00 0.00 1.57 -1.89 -3.44 116.57 118.64 1d1h h LYS 10 Ca -0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1d1h h LYS 10 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1d1h h LYS 10 CO 0.49 0.43 0.13 -2.37 -0.57 0.00 0.00 179.45 177.56 1d1h n THR 11 N -3.23 0.00 0.19 -0.16 5.66 -1.26 -5.02 114.28 110.45 1d1h n THR 11 Ca 0.02 -0.45 0.05 0.00 -3.05 0.00 0.00 64.05 60.62 1d1h n THR 11 Cb 0.69 0.45 0.35 0.00 -1.55 0.00 0.00 70.33 70.27 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 1.45 1.01 -0.14 1.09 2.02 -1.93 -2.62 112.91 113.80 1d1h h THR 12 Ca -0.15 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.54 1d1h h THR 12 Cb 0.57 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1d1h h THR 12 CO 0.19 0.38 0.00 -1.54 0.37 0.00 0.00 175.52 174.93 1d1h n SER 13 N -3.68 2.18 -0.24 4.18 3.41 -1.26 -3.42 113.62 114.78 1d1h n SER 13 Ca -0.01 -2.23 0.03 0.00 -0.26 0.00 0.00 58.87 56.40 1d1h n SER 13 Cb 0.48 -0.55 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1d1h n SER 13 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1d1h n ASP 14 N 0.15 2.38 -4.60 4.04 9.92 -0.99 -5.03 116.55 122.42 1d1h n ASP 14 Ca 0.07 -2.07 -0.26 0.00 -0.53 0.00 0.00 54.79 52.00 1d1h n ASP 14 Cb 0.49 -0.11 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 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 0.00 0.00 5.02 -1.26 -4.43 118.16 117.49 1d1h n LYS 17 Ca 0.00 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1d1h n LYS 17 Cb 0.00 -0.53 0.09 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.88 0.00 -3.54 2.13 8.25 -1.26 -4.40 115.22 114.52 1d1h n HIS 18 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1d1h n HIS 18 Cb 0.00 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.63 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 -2.95 4.04 -0.25 2.41 1.43 -1.26 0.14 118.68 122.23 1d1h s LEU 19 Ca 0.02 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 1d1h s LEU 19 Cb 0.03 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.37 1d1h s LEU 19 CO 0.08 -0.34 0.63 -0.83 0.23 0.00 0.00 176.35 176.12 1d1h s GLY 20 N -4.10 -0.55 -0.19 -3.19 0.00 -0.46 -4.09 107.32 94.74 1d1h s GLY 20 Ca 0.41 2.15 -0.29 0.00 0.00 0.00 0.00 44.72 46.99 1d1h s GLY 20 CO 0.32 2.12 1.32 0.00 0.00 0.00 0.00 173.10 176.86 1d1h s LYS 22 N 3.73 3.58 -0.26 0.00 1.02 -1.26 -4.16 119.74 122.39 1d1h s LYS 22 Ca 0.57 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 1d1h s LYS 22 Cb -0.22 -2.72 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 1d1h s LYS 22 CO 0.18 0.28 0.97 1.97 -0.92 0.00 0.00 175.35 177.83 1d1h n PHE 23 N -0.87 1.00 -2.86 3.18 1.16 -1.26 0.83 117.46 118.64 1d1h n PHE 23 Ca -0.03 0.73 -0.19 0.00 -1.87 0.00 0.00 57.45 56.09 1d1h n PHE 23 Cb 0.54 -1.42 -0.04 0.00 -1.61 0.00 0.00 39.48 36.95 1d1h n PHE 23 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1d1h n ARG 24 N 2.27 -1.04 0.14 3.97 1.74 -1.26 -4.69 116.66 117.79 1d1h n ARG 24 Ca 0.19 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1d1h n ARG 24 Cb -0.02 -2.47 0.13 0.00 -1.02 0.00 0.00 32.46 29.08 1d1h n ARG 24 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1d1h h ASP 25 N -0.38 0.00 0.00 0.55 1.82 0.04 -3.47 116.42 114.98 1d1h h ASP 25 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1d1h h ASP 25 Cb 0.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1d1h h ASP 25 CO 0.40 0.61 0.00 1.17 -1.61 0.00 0.00 179.24 179.80 1d1h n LYS 26 N -3.50 0.00 -1.85 0.28 4.81 -1.26 -4.91 118.16 111.73 1d1h n LYS 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1d1h n LYS 26 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 1d1h n LYS 26 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1d1h n TYR 27 N 0.00 0.00 -4.67 5.64 4.11 -1.26 -2.05 117.16 118.93 1d1h n TYR 27 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 1d1h n TYR 27 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 1d1h n TYR 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1d1h s ALA 29 N 0.26 2.18 0.61 0.00 0.00 -0.95 -2.09 121.76 121.77 1d1h s ALA 29 Ca -0.07 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 1d1h s ALA 29 Cb -0.15 -0.47 -0.15 0.00 0.00 0.00 0.00 23.12 22.36 1d1h s ALA 29 CO 0.05 0.52 -0.28 0.91 0.00 0.00 0.00 175.76 176.95 1d1h n TRP 30 N 1.84 -3.39 -0.67 0.00 5.03 -1.26 -1.35 117.44 117.64 1d1h n TRP 30 Ca -0.17 0.33 0.00 0.00 3.03 0.00 0.00 57.50 60.69 1d1h n TRP 30 Cb 0.52 -1.59 0.00 0.00 -1.03 0.00 0.00 31.31 29.21 1d1h n TRP 30 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1d1h n ASP 31 N 2.68 -0.90 -4.74 -0.99 2.03 0.37 -4.62 116.55 110.39 1d1h n ASP 31 Ca 0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.96 1d1h n ASP 31 Cb 0.48 -0.45 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 1d1h n ASP 31 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1d1h s PHE 32 N 0.00 3.72 0.30 -0.67 5.36 -1.22 -3.75 117.98 121.72 1d1h s PHE 32 Ca 0.00 1.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.48 1d1h s PHE 32 Cb 0.00 -2.86 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1d1h s PHE 32 CO 0.00 0.23 0.48 0.95 -1.46 0.00 0.00 175.22 175.42 1d1h s THR 33 N 0.10 5.16 -0.89 0.12 -4.23 -1.26 -4.61 115.64 110.03 1d1h s THR 33 Ca 0.40 -0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1d1h s THR 33 Cb -0.20 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.80 1d1h s THR 33 CO 0.23 -0.44 0.63 0.49 -0.54 0.00 0.00 174.62 174.99 1d1h n PHE 34 N -1.52 -2.00 1.59 3.99 3.01 -1.26 -5.06 117.46 116.21 1d1h n PHE 34 Ca -0.06 0.73 0.14 0.00 1.01 0.00 0.00 57.45 59.27 1d1h n PHE 34 Cb 0.56 -2.89 0.60 0.00 -0.01 0.00 0.00 39.48 37.74 1d1h n PHE 34 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20