#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sp2 s PRO 2 N 0.00 3.86 -0.63 5.56 0.04 -1.26 -4.98 135.00 137.59 1sp2 s PRO 2 Ca 0.00 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1sp2 s PRO 2 Cb 0.00 -2.76 0.15 0.00 0.04 0.00 0.00 34.50 31.93 1sp2 s PRO 2 CO 0.00 -0.67 0.40 -0.06 0.04 0.00 0.00 177.00 176.71 1sp2 s PHE 3 N -1.19 3.36 0.23 0.56 0.08 -1.26 -5.03 117.98 114.73 1sp2 s PHE 3 Ca 0.58 -3.25 0.09 0.00 0.12 0.00 0.00 56.93 54.47 1sp2 s PHE 3 Cb -0.43 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 1sp2 s PHE 3 CO 0.56 -0.62 -0.05 1.41 -0.10 0.00 0.00 175.22 176.42 1sp2 s MET 4 N -0.98 2.16 0.15 0.44 1.75 -1.26 -1.11 119.30 120.46 1sp2 s MET 4 Ca 0.22 -1.38 -0.23 0.00 -1.25 0.00 0.00 55.69 53.04 1sp2 s MET 4 Cb -0.12 -2.13 -0.08 0.00 2.84 0.00 0.00 34.83 35.33 1sp2 s MET 4 CO -0.10 0.39 0.72 0.00 -0.65 0.00 0.00 175.02 175.38 1sp2 s THR 6 N -1.19 5.80 0.11 0.00 2.01 -1.26 -4.52 115.64 116.58 1sp2 s THR 6 Ca 0.35 -3.02 -0.18 0.00 0.31 0.00 0.00 61.69 59.16 1sp2 s THR 6 Cb -0.21 -4.58 0.04 0.00 0.01 0.00 0.00 72.50 67.76 1sp2 s THR 6 CO 0.24 -1.16 0.43 0.86 -0.69 0.00 0.00 174.62 174.30 1sp2 s TRP 7 N -0.54 -0.27 0.17 4.92 -0.11 -1.26 -5.11 118.94 116.75 1sp2 s TRP 7 Ca 0.27 0.03 -0.21 0.00 1.22 0.00 0.00 56.10 57.41 1sp2 s TRP 7 Cb -0.09 0.29 -0.08 0.00 -1.50 0.00 0.00 33.47 32.09 1sp2 s TRP 7 CO -0.08 -0.69 0.70 -1.54 -4.62 0.00 0.00 176.95 170.72 1sp2 s SER 8 N -2.61 7.16 0.00 5.86 1.04 -1.26 -3.56 113.70 120.33 1sp2 s SER 8 Ca 0.01 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1sp2 s SER 8 Cb 0.01 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1sp2 s SER 8 CO -0.10 0.14 0.00 0.00 0.98 0.00 0.00 173.24 174.26 1sp2 n TYR 9 N 1.19 0.00 0.00 5.02 4.19 -1.26 -4.90 117.16 121.40 1sp2 n TYR 9 Ca -0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.16 1sp2 n TYR 9 Cb 0.50 -0.37 0.00 0.00 0.49 0.00 0.00 39.34 39.97 1sp2 n TYR 9 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sp2 n GLY 11 N 3.68 -0.14 3.23 0.00 0.00 -1.26 -5.04 105.19 105.66 1sp2 n GLY 11 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1sp2 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sp2 s LYS 12 N -3.74 2.70 0.27 1.61 2.20 -1.26 -4.99 119.74 116.52 1sp2 s LYS 12 Ca 0.23 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1sp2 s LYS 12 Cb -0.03 -2.15 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 1sp2 s LYS 12 CO 0.38 0.26 0.38 1.03 -0.36 0.00 0.00 175.35 177.04 1sp2 s ARG 13 N 0.12 3.32 0.20 4.03 0.52 -1.26 -2.02 118.95 123.86 1sp2 s ARG 13 Ca -0.11 -0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 54.19 1sp2 s ARG 13 Cb -0.16 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 1sp2 s ARG 13 CO 0.06 0.33 0.25 -0.06 0.02 0.00 0.00 175.30 175.90 1sp2 s PHE 14 N -2.04 0.76 -0.25 -0.53 0.08 -0.26 -4.99 117.98 110.75 1sp2 s PHE 14 Ca 0.37 -1.06 0.13 0.00 0.12 0.00 0.00 56.93 56.49 1sp2 s PHE 14 Cb -0.09 -0.24 0.70 0.00 -0.57 0.00 0.00 43.02 42.82 1sp2 s PHE 14 CO 0.29 -0.75 1.66 2.41 -0.10 0.00 0.00 175.22 178.73 1sp2 n THR 15 N -0.28 2.67 0.00 0.64 -1.04 -1.26 -4.39 114.28 110.62 1sp2 n THR 15 Ca -0.01 -1.69 0.00 0.00 -2.04 0.00 0.00 64.05 60.31 1sp2 n THR 15 Cb 0.64 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1sp2 n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1sp2 n ARG 16 N -0.02 0.00 -0.00 -2.82 3.00 -1.26 -4.99 116.66 110.57 1sp2 n ARG 16 Ca 0.30 0.00 0.22 0.00 -0.00 0.00 0.00 57.85 58.37 1sp2 n ARG 16 Cb 1.16 0.00 0.57 0.00 0.00 0.00 0.00 32.46 34.18 1sp2 n ARG 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1sp2 h SER 17 N 0.00 0.00 -0.54 6.15 0.87 -1.92 -0.10 113.55 118.01 1sp2 h SER 17 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1sp2 h SER 17 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 1sp2 h SER 17 CO 0.00 0.00 -0.21 -0.78 -0.53 0.00 0.00 176.83 175.31 1sp2 h ASP 18 N 0.00 -0.74 0.08 6.23 3.58 -2.01 0.56 116.42 124.13 1sp2 h ASP 18 Ca 0.29 0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.89 1sp2 h ASP 18 Cb 1.91 0.42 -0.01 0.00 1.72 0.00 0.00 39.33 43.38 1sp2 h ASP 18 CO -0.00 -0.24 -0.14 -0.08 -2.88 0.00 0.00 179.24 175.90 1sp2 h GLU 19 N -0.08 0.13 0.00 0.28 4.57 -1.42 -1.14 114.58 116.92 1sp2 h GLU 19 Ca 0.25 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1sp2 h GLU 19 Cb 0.47 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1sp2 h GLU 19 CO -0.60 0.28 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.37 1sp2 h LEU 20 N 0.13 0.00 0.40 1.64 3.38 -0.01 -1.86 115.31 119.00 1sp2 h LEU 20 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1sp2 h LEU 20 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sp2 h LEU 20 CO 0.02 0.07 -0.19 1.56 0.09 0.00 0.00 178.44 179.99 1sp2 h GLN 21 N 0.00 -0.52 0.00 1.13 4.20 0.18 -1.69 115.11 118.40 1sp2 h GLN 21 Ca -0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1sp2 h GLN 21 Cb 0.45 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1sp2 h GLN 21 CO 0.01 -0.24 0.00 0.54 -0.67 0.00 0.00 178.83 178.46 1sp2 n ARG 22 N -5.15 0.09 0.06 1.46 1.74 -1.20 -2.83 116.66 110.82 1sp2 n ARG 22 Ca -0.08 0.31 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1sp2 n ARG 22 Cb 0.27 -1.66 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 1sp2 n ARG 22 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1sp2 h HIS 23 N 0.00 0.63 0.00 -1.55 2.76 -1.24 -3.28 115.15 112.47 1sp2 h HIS 23 Ca 0.00 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 1sp2 h HIS 23 Cb 0.32 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1sp2 h HIS 23 CO 0.00 1.50 0.00 -0.22 -1.30 0.00 0.00 177.93 177.91 1sp2 h LYS 24 N -0.18 0.00 0.00 5.26 3.64 -1.15 -1.31 116.57 122.83 1sp2 h LYS 24 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1sp2 h LYS 24 Cb 1.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1sp2 h LYS 24 CO 0.15 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.19 1sp2 h ARG 25 N 0.00 0.00 -0.06 1.90 3.08 -1.61 -3.09 114.38 114.60 1sp2 h ARG 25 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sp2 h ARG 25 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1sp2 h ARG 25 CO 0.00 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.31 1sp2 n THR 26 N -2.50 0.06 -0.04 2.04 -1.04 -0.50 -3.91 114.28 108.39 1sp2 n THR 26 Ca 0.04 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1sp2 n THR 26 Cb 0.47 0.83 -0.14 0.00 -1.82 0.00 0.00 70.33 69.66 1sp2 n THR 26 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1sp2 n HIS 27 N 0.65 0.75 -3.12 -1.42 8.25 -1.17 -4.55 115.22 114.61 1sp2 n HIS 27 Ca 0.17 0.22 -0.24 0.00 -0.26 0.00 0.00 57.72 57.61 1sp2 n HIS 27 Cb 0.45 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.39 1sp2 n HIS 27 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1sp2 n THR 28 N -3.13 1.67 0.00 1.59 -1.04 -1.25 -5.05 114.28 107.07 1sp2 n THR 28 Ca -0.28 -5.08 0.00 0.00 -2.04 0.00 0.00 64.05 56.65 1sp2 n THR 28 Cb 1.06 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1sp2 n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sp2 n GLY 29 N 0.27 0.80 3.36 3.41 0.00 -1.25 -4.88 105.19 106.89 1sp2 n GLY 29 Ca 0.28 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1sp2 n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sp2 n GLU 30 N 0.00 -1.86 0.00 1.61 4.71 -1.26 -5.15 120.64 118.70 1sp2 n GLU 30 Ca 0.00 1.49 0.00 0.00 -0.01 0.00 0.00 57.16 58.64 1sp2 n GLU 30 Cb 0.00 -2.55 0.00 0.00 -1.01 0.00 0.00 31.44 27.88 1sp2 n GLU 30 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58