#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 8.15 3.05 1.10 0.00 1.81 -1.15 -4.32 118.95 127.59 1d1h s ARG 3 Ca 1.27 -0.04 -0.16 0.00 -1.72 0.00 0.00 55.73 55.08 1d1h s ARG 3 Cb -0.89 -4.26 0.24 0.00 -0.45 0.00 0.00 34.95 29.59 1d1h s ARG 3 CO 0.46 -2.31 1.11 -0.47 -0.68 0.00 0.00 175.30 173.41 1d1h s TYR 4 N 6.62 1.28 -0.11 -0.53 5.04 -1.26 -3.16 117.35 125.22 1d1h s TYR 4 Ca 0.44 0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 55.57 1d1h s TYR 4 Cb -0.09 -3.39 -0.10 0.00 0.35 0.00 0.00 41.96 38.74 1d1h s TYR 4 CO 0.16 -3.40 0.63 1.28 -1.34 0.00 0.00 175.55 172.88 1d1h n LEU 5 N -4.46 0.26 -1.37 6.97 4.77 -1.26 0.20 117.00 122.12 1d1h n LEU 5 Ca 0.09 0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1d1h n LEU 5 Cb 0.59 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1d1h n LEU 5 CO 0.51 -0.68 -0.08 0.49 -1.33 0.00 0.00 177.39 176.30 1d1h n PHE 6 N 1.26 -0.69 -3.89 -1.77 3.72 0.03 -4.91 117.46 111.22 1d1h n PHE 6 Ca 0.12 0.10 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1d1h n PHE 6 Cb 0.01 -2.60 -0.10 0.00 -0.94 0.00 0.00 39.48 35.85 1d1h n PHE 6 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1d1h s GLY 7 N -2.65 1.90 -0.13 1.37 0.00 0.13 -4.72 107.32 103.22 1d1h s GLY 7 Ca 0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 1d1h s GLY 7 CO 0.07 0.21 2.09 -0.32 0.00 0.00 0.00 173.10 175.15 1d1h s GLY 8 N 0.72 0.88 0.05 0.20 0.00 -1.26 -0.87 107.32 107.03 1d1h s GLY 8 Ca 0.04 0.94 0.09 0.00 0.00 0.00 0.00 44.72 45.79 1d1h s GLY 8 CO 0.02 3.64 -0.24 0.00 0.00 0.00 0.00 173.10 176.51 1d1h h LYS 10 N 4.78 0.00 0.00 0.00 1.57 -1.88 -3.43 116.57 117.61 1d1h h LYS 10 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1d1h h LYS 10 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.47 1d1h h LYS 10 CO 0.43 0.36 0.24 -2.37 -0.57 0.00 0.00 179.45 177.54 1d1h n THR 11 N -3.08 0.00 0.03 -0.16 5.66 -1.26 -5.03 114.28 110.43 1d1h n THR 11 Ca -0.01 -0.81 0.02 0.00 -3.05 0.00 0.00 64.05 60.20 1d1h n THR 11 Cb 0.72 0.82 0.38 0.00 -1.55 0.00 0.00 70.33 70.71 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 1.83 1.14 -0.30 1.09 2.02 -1.93 -2.32 112.91 114.43 1d1h h THR 12 Ca -0.28 -0.48 -0.21 0.00 0.77 0.00 0.00 66.41 66.22 1d1h h THR 12 Cb 1.03 0.78 -0.09 0.00 -1.74 0.00 0.00 68.15 68.13 1d1h h THR 12 CO 0.35 0.18 0.27 -1.20 0.37 0.00 0.00 175.52 175.49 1d1h n SER 13 N -4.38 6.01 0.00 4.18 7.64 -1.26 -3.47 113.62 122.34 1d1h n SER 13 Ca 0.02 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1d1h n SER 13 Cb 0.16 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1d1h n SER 13 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1d1h n ASP 14 N 0.74 0.35 -4.68 6.43 9.92 -0.87 -5.02 116.55 123.42 1d1h n ASP 14 Ca 0.19 -1.12 -0.26 0.00 -0.53 0.00 0.00 54.79 53.07 1d1h n ASP 14 Cb 0.56 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.01 0.00 5.02 -1.26 -4.46 118.16 117.47 1d1h n LYS 17 Ca 0.00 0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1d1h n LYS 17 Cb 0.00 -0.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.71 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 -1.76 0.06 -3.60 2.13 8.25 -1.26 -4.66 115.22 114.38 1d1h n HIS 18 Ca 0.00 0.03 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1d1h n HIS 18 Cb 0.00 -0.55 -0.06 0.00 1.12 0.00 0.00 29.99 30.50 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 -3.12 4.40 -0.04 2.41 1.02 -1.26 -1.05 118.68 121.04 1d1h s LEU 19 Ca 0.03 0.74 0.05 0.00 0.02 0.00 0.00 54.13 54.97 1d1h s LEU 19 Cb 0.04 -2.41 -0.01 0.00 0.02 0.00 0.00 46.19 43.83 1d1h s LEU 19 CO 0.12 0.30 -0.19 -0.83 0.02 0.00 0.00 176.35 175.77 1d1h s GLY 20 N -0.73 1.00 0.17 -3.19 0.00 0.42 -4.37 107.32 100.62 1d1h s GLY 20 Ca 0.20 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 1d1h s GLY 20 CO 0.09 -0.47 1.44 0.00 0.00 0.00 0.00 173.10 174.16 1d1h s LYS 22 N 0.63 1.90 -0.63 0.00 -0.14 -1.17 -4.57 119.74 115.75 1d1h s LYS 22 Ca 0.64 -1.11 -0.04 0.00 -1.36 0.00 0.00 55.97 54.10 1d1h s LYS 22 Cb -0.40 -2.16 0.11 0.00 -1.68 0.00 0.00 37.83 33.69 1d1h s LYS 22 CO 0.34 0.50 2.62 1.19 -0.76 0.00 0.00 175.35 179.24 1d1h n PHE 23 N 0.90 1.91 0.03 3.18 3.72 -1.26 -3.67 117.46 122.27 1d1h n PHE 23 Ca -0.15 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.13 1d1h n PHE 23 Cb 0.52 -1.42 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 1d1h n PHE 23 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1d1h n ARG 24 N 0.82 0.00 -0.00 -1.08 1.74 -1.26 -4.89 116.66 111.99 1d1h n ARG 24 Ca 0.51 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.63 1d1h n ARG 24 Cb 0.47 -0.30 0.03 0.00 -1.02 0.00 0.00 32.46 31.64 1d1h n ARG 24 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1d1h n ASP 25 N -3.11 1.60 -0.10 0.55 -0.08 -1.26 -4.97 116.55 109.17 1d1h n ASP 25 Ca 0.00 -1.31 -0.01 0.00 -1.51 0.00 0.00 54.79 51.96 1d1h n ASP 25 Cb 0.00 -0.01 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1d1h n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1d1h n LYS 26 N 0.36 -0.26 -1.13 -0.67 4.76 -1.24 -5.02 118.16 114.96 1d1h n LYS 26 Ca 0.04 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1d1h n LYS 26 Cb 0.17 -3.70 0.00 0.00 -1.84 0.00 0.00 35.03 29.66 1d1h n LYS 26 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1d1h n TYR 27 N -2.88 -2.59 -4.56 2.13 0.18 -1.26 -0.84 117.16 107.34 1d1h n TYR 27 Ca -0.01 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.44 1d1h n TYR 27 Cb 0.09 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.89 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 0.78 1.11 0.41 0.00 0.00 -0.95 -0.79 121.76 122.32 1d1h s ALA 29 Ca -0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1d1h s ALA 29 Cb -0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 23.12 22.67 1d1h s ALA 29 CO 0.00 0.20 -0.06 0.91 0.00 0.00 0.00 175.76 176.82 1d1h n TRP 30 N 1.88 -2.30 -2.99 0.00 5.03 -1.26 -0.44 117.44 117.37 1d1h n TRP 30 Ca -0.18 0.43 0.01 0.00 3.03 0.00 0.00 57.50 60.79 1d1h n TRP 30 Cb 0.55 -1.47 -0.00 0.00 -1.03 0.00 0.00 31.31 29.36 1d1h n TRP 30 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1d1h s ASP 31 N -0.86 -0.92 0.00 -0.99 1.01 -0.22 -4.43 116.67 110.26 1d1h s ASP 31 Ca 0.49 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1d1h s ASP 31 Cb -0.46 1.18 0.00 0.00 1.01 0.00 0.00 42.92 44.65 1d1h s ASP 31 CO 0.56 -0.10 0.00 0.33 0.21 0.00 0.00 175.17 176.17 1d1h n PHE 32 N 4.07 0.00 -0.80 4.23 7.35 -1.26 -4.65 117.46 126.40 1d1h n PHE 32 Ca 0.08 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.87 1d1h n PHE 32 Cb 0.60 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.38 1d1h n PHE 32 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1d1h n THR 33 N 0.00 -0.50 0.00 -2.13 -2.24 -1.26 -5.02 114.28 103.13 1d1h n THR 33 Ca 0.00 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1d1h n THR 33 Cb 0.00 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1d1h n THR 33 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1d1h n PHE 34 N -3.31 0.00 -0.74 4.78 1.16 -1.26 -5.18 117.46 112.90 1d1h n PHE 34 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 1d1h n PHE 34 Cb 0.38 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.25 1d1h n PHE 34 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32