#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf7 n PRO 2 N 0.00 -0.27 -4.48 -1.58 -0.04 -1.26 -4.76 135.00 122.60 1xf7 n PRO 2 Ca 0.00 -0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 1xf7 n PRO 2 Cb 0.00 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1xf7 n PRO 2 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xf7 s PHE 3 N -2.20 2.19 0.05 0.54 0.40 -0.51 -4.93 117.98 113.52 1xf7 s PHE 3 Ca 0.49 -0.55 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1xf7 s PHE 3 Cb -0.17 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1xf7 s PHE 3 CO 0.73 0.48 -0.09 -1.14 0.70 0.00 0.00 175.22 175.91 1xf7 s GLN 4 N -3.64 0.60 -0.18 0.44 0.74 -1.26 -0.74 119.66 115.62 1xf7 s GLN 4 Ca 0.31 -0.85 -0.11 0.00 0.05 0.00 0.00 55.36 54.76 1xf7 s GLN 4 Cb 0.02 -0.36 -0.05 0.00 1.10 0.00 0.00 33.01 33.72 1xf7 s GLN 4 CO 0.14 0.06 0.17 0.00 -0.55 0.00 0.00 175.29 175.12 1xf7 n LYS 6 N 3.45 2.80 0.00 0.00 4.01 -1.26 -2.19 118.16 124.96 1xf7 n LYS 6 Ca -0.15 -3.40 0.00 0.00 -0.51 0.00 0.00 58.31 54.25 1xf7 n LYS 6 Cb 0.52 -2.29 0.00 0.00 -0.51 0.00 0.00 35.03 32.75 1xf7 n LYS 6 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1xf7 n THR 7 N -0.88 0.00 0.00 -0.18 -1.04 -1.26 -4.94 114.28 105.98 1xf7 n THR 7 Ca 0.60 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1xf7 n THR 7 Cb 0.68 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1xf7 n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xf7 n GLN 9 N -2.64 0.00 -4.21 0.00 1.13 -0.93 -5.07 117.38 105.66 1xf7 n GLN 9 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 1xf7 n GLN 9 Cb 0.43 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.71 1xf7 n GLN 9 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1xf7 s ARG 10 N -1.03 2.33 0.25 -1.09 3.52 -1.25 -4.88 118.95 116.80 1xf7 s ARG 10 Ca 0.00 -1.49 0.10 0.00 -0.13 0.00 0.00 55.73 54.21 1xf7 s ARG 10 Cb 0.00 -2.16 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 1xf7 s ARG 10 CO 0.00 0.23 -0.18 -1.59 -0.81 0.00 0.00 175.30 172.95 1xf7 s LYS 11 N -3.76 1.54 0.13 5.12 -2.85 -1.26 -0.58 119.74 118.09 1xf7 s LYS 11 Ca 0.34 -1.70 0.03 0.00 -1.00 0.00 0.00 55.97 53.65 1xf7 s LYS 11 Cb -0.04 -1.53 -0.01 0.00 -2.06 0.00 0.00 37.83 34.19 1xf7 s LYS 11 CO 0.21 0.28 0.12 1.19 0.10 0.00 0.00 175.35 177.25 1xf7 n PHE 12 N -0.51 -0.36 -0.08 1.78 3.72 0.08 -4.94 117.46 117.16 1xf7 n PHE 12 Ca -0.06 -1.11 -0.11 0.00 -0.05 0.00 0.00 57.45 56.12 1xf7 n PHE 12 Cb 0.60 0.12 -0.07 0.00 -0.94 0.00 0.00 39.48 39.20 1xf7 n PHE 12 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xf7 n SER 13 N -2.43 2.78 -4.88 4.37 3.41 -1.26 -1.42 113.62 114.19 1xf7 n SER 13 Ca 0.03 -0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.28 1xf7 n SER 13 Cb 0.24 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1xf7 n SER 13 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xf7 s ARG 14 N -2.30 2.24 0.00 4.33 0.52 -1.26 -4.32 118.95 118.15 1xf7 s ARG 14 Ca -0.20 -2.16 0.23 0.00 -0.52 0.00 0.00 55.73 53.08 1xf7 s ARG 14 Cb 0.05 -1.94 0.21 0.00 0.52 0.00 0.00 34.95 33.79 1xf7 s ARG 14 CO 0.35 -0.60 1.26 -1.13 0.02 0.00 0.00 175.30 175.20 1xf7 n SER 15 N -1.68 3.02 -0.51 0.23 3.41 -1.26 -3.65 113.62 113.17 1xf7 n SER 15 Ca -0.07 -1.98 0.05 0.00 -0.26 0.00 0.00 58.87 56.61 1xf7 n SER 15 Cb 0.65 -0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.68 1xf7 n SER 15 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xf7 n ASP 16 N 1.34 2.58 -0.00 4.04 5.68 -1.26 -3.80 116.55 125.13 1xf7 n ASP 16 Ca 0.14 -1.87 0.03 0.00 -0.50 0.00 0.00 54.79 52.59 1xf7 n ASP 16 Cb 0.59 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1xf7 n ASP 16 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1xf7 n HIS 17 N 0.41 0.00 -0.03 2.11 8.25 -1.24 -3.82 115.22 120.89 1xf7 n HIS 17 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 1xf7 n HIS 17 Cb 0.37 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 1xf7 n HIS 17 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xf7 n LEU 18 N -1.41 1.63 0.13 2.41 7.94 -1.24 -3.15 117.00 123.30 1xf7 n LEU 18 Ca 0.00 0.24 -0.24 0.00 -1.11 0.00 0.00 56.01 54.90 1xf7 n LEU 18 Cb 0.12 -0.38 -0.16 0.00 0.53 0.00 0.00 43.42 43.54 1xf7 n LEU 18 CO 0.12 0.63 -0.19 0.07 -1.11 0.00 0.00 177.39 176.91 1xf7 h LYS 19 N 0.03 0.49 0.00 1.96 2.10 -1.78 -0.88 116.57 118.49 1xf7 h LYS 19 Ca -0.40 -0.84 0.00 0.00 -2.00 0.00 0.00 60.65 57.41 1xf7 h LYS 19 Cb 2.04 0.31 0.00 0.00 -0.90 0.00 0.00 32.23 33.68 1xf7 h LYS 19 CO 0.06 1.40 0.00 2.41 -2.00 0.00 0.00 179.45 181.32 1xf7 n THR 20 N -3.80 1.21 -0.11 0.07 -1.04 -1.25 -2.73 114.28 106.63 1xf7 n THR 20 Ca -0.17 0.30 -0.16 0.00 -2.04 0.00 0.00 64.05 61.98 1xf7 n THR 20 Cb 1.05 -1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 68.36 1xf7 n THR 20 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1xf7 n HIS 21 N -1.44 0.16 0.26 -1.42 -0.00 -1.12 -4.45 115.22 107.21 1xf7 n HIS 21 Ca 0.03 0.07 0.13 0.00 -0.00 0.00 0.00 57.72 57.94 1xf7 n HIS 21 Cb 0.10 -0.73 0.68 0.00 -0.00 0.00 0.00 29.99 30.03 1xf7 n HIS 21 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1xf7 h THR 22 N -1.00 0.00 0.00 3.57 2.02 -1.03 -2.36 112.91 114.11 1xf7 h THR 22 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1xf7 h THR 22 Cb 1.17 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1xf7 h THR 22 CO -0.16 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 173.62 1xf7 n ARG 23 N -2.57 0.32 -0.00 6.66 1.85 -1.10 -1.08 116.66 120.74 1xf7 n ARG 23 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.92 1xf7 n ARG 23 Cb 0.30 -1.26 0.08 0.00 -1.05 0.00 0.00 32.46 30.53 1xf7 n ARG 23 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1xf7 n THR 24 N -0.76 0.01 -0.09 8.89 -2.24 -0.89 -2.05 114.28 117.16 1xf7 n THR 24 Ca 0.04 -0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 1xf7 n THR 24 Cb 0.02 1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 1xf7 n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xf7 n HIS 25 N 0.99 0.00 -0.07 4.78 8.25 -0.24 -4.63 115.22 124.30 1xf7 n HIS 25 Ca 0.10 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 1xf7 n HIS 25 Cb 0.44 -0.65 -0.15 0.00 1.12 0.00 0.00 29.99 30.74 1xf7 n HIS 25 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1xf7 n THR 26 N -3.53 0.90 -2.08 1.59 -1.04 -1.13 -4.43 114.28 104.56 1xf7 n THR 26 Ca -0.34 -0.71 -0.39 0.00 -2.04 0.00 0.00 64.05 60.57 1xf7 n THR 26 Cb 0.78 -0.33 0.03 0.00 -1.82 0.00 0.00 70.33 68.98 1xf7 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xf7 n GLY 27 N 1.67 5.59 3.47 3.41 0.00 -0.87 -4.90 105.19 113.56 1xf7 n GLY 27 Ca -0.23 -2.45 -0.25 0.00 0.00 0.00 0.00 46.02 43.10 1xf7 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf7 s GLU 28 N -3.88 1.94 0.00 1.61 2.12 -1.26 -4.55 118.70 114.68 1xf7 s GLU 28 Ca 0.49 -2.18 0.07 0.00 0.36 0.00 0.00 54.97 53.71 1xf7 s GLU 28 Cb 0.36 -0.37 0.06 0.00 0.26 0.00 0.00 34.13 34.43 1xf7 s GLU 28 CO -0.32 -0.55 0.73 1.63 -0.54 0.00 0.00 175.26 176.21