#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj3 n SER 2 N 0.00 -2.75 -0.11 1.61 2.88 -1.26 -5.02 113.62 108.97 1nj3 n SER 2 Ca 0.00 -2.53 -0.09 0.00 -1.33 0.00 0.00 58.87 54.92 1nj3 n SER 2 Cb 0.00 1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 64.93 1nj3 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nj3 h THR 3 N 3.73 1.13 0.00 2.46 1.03 -2.03 -3.46 112.91 115.77 1nj3 h THR 3 Ca -0.03 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1nj3 h THR 3 Cb 1.11 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1nj3 h THR 3 CO 0.04 0.13 0.00 -1.20 -0.01 0.00 0.00 175.52 174.49 1nj3 n SER 4 N -4.79 0.00 -3.49 0.00 7.64 -1.26 -5.13 113.62 106.58 1nj3 n SER 4 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1nj3 n SER 4 Cb 0.07 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nj3 s ALA 5 N -1.23 -1.96 1.06 -0.43 0.00 -1.26 -5.08 121.76 112.85 1nj3 s ALA 5 Ca 0.00 2.03 -0.16 0.00 0.00 0.00 0.00 51.96 53.83 1nj3 s ALA 5 Cb 0.00 -1.83 0.22 0.00 0.00 0.00 0.00 23.12 21.51 1nj3 s ALA 5 CO 0.00 -1.04 1.17 -1.64 0.00 0.00 0.00 175.76 174.25 1nj3 s MET 6 N 2.84 -0.08 0.12 0.00 1.00 -1.26 -3.54 119.30 118.38 1nj3 s MET 6 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 55.69 55.72 1nj3 s MET 6 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 34.83 32.93 1nj3 s MET 6 CO -0.19 -2.96 -0.09 1.67 0.00 0.00 0.00 175.02 173.46 1nj3 s TRP 7 N -3.30 1.08 -0.33 -0.03 1.48 0.27 -4.87 118.94 113.25 1nj3 s TRP 7 Ca 0.70 -0.80 -0.09 0.00 -1.06 0.00 0.00 56.10 54.85 1nj3 s TRP 7 Cb -0.10 -0.58 0.01 0.00 -1.16 0.00 0.00 33.47 31.64 1nj3 s TRP 7 CO 0.55 -0.02 0.14 0.00 -4.06 0.00 0.00 176.95 173.56 1nj3 s ALA 8 N -3.28 3.18 0.86 2.67 0.00 -1.26 -0.23 121.76 123.70 1nj3 s ALA 8 Ca 0.13 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1nj3 s ALA 8 Cb 0.03 -2.36 0.11 0.00 0.00 0.00 0.00 23.12 20.90 1nj3 s ALA 8 CO -0.02 -1.10 1.11 0.00 0.00 0.00 0.00 175.76 175.75 1nj3 n GLN 10 N -3.90 2.57 0.12 0.00 3.00 -1.26 -4.01 117.38 113.89 1nj3 n GLN 10 Ca 0.09 -3.67 0.00 0.00 -0.01 0.00 0.00 57.00 53.42 1nj3 n GLN 10 Cb 0.53 -1.98 0.00 0.00 0.00 0.00 0.00 30.24 28.79 1nj3 n GLN 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1nj3 n HIS 11 N -0.93 -2.04 0.03 1.08 -0.00 -1.26 -4.89 115.22 107.20 1nj3 n HIS 11 Ca 0.35 0.36 -0.15 0.00 0.46 0.00 0.00 57.72 58.74 1nj3 n HIS 11 Cb 0.87 0.54 -0.14 0.00 -0.12 0.00 0.00 29.99 31.14 1nj3 n HIS 11 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nj3 n THR 13 N -3.33 0.00 -4.48 0.00 5.66 -1.26 -5.08 114.28 105.79 1nj3 n THR 13 Ca -0.18 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.57 1nj3 n THR 13 Cb 1.04 -0.99 -0.10 0.00 -1.55 0.00 0.00 70.33 68.73 1nj3 n THR 13 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1nj3 s PHE 14 N -2.56 2.40 0.21 1.09 5.36 -1.26 -4.89 117.98 118.32 1nj3 s PHE 14 Ca 0.00 -0.42 -0.16 0.00 -0.96 0.00 0.00 56.93 55.39 1nj3 s PHE 14 Cb 0.00 -1.25 -0.08 0.00 -0.34 0.00 0.00 43.02 41.35 1nj3 s PHE 14 CO 0.00 0.62 0.65 1.41 -1.46 0.00 0.00 175.22 176.44 1nj3 s MET 15 N -3.59 4.09 0.03 10.12 1.75 -1.26 -2.10 119.30 128.35 1nj3 s MET 15 Ca 0.32 0.67 -0.00 0.00 -1.25 0.00 0.00 55.69 55.43 1nj3 s MET 15 Cb -0.01 -2.82 -0.03 0.00 2.84 0.00 0.00 34.83 34.81 1nj3 s MET 15 CO 0.16 0.39 -0.03 1.21 -0.65 0.00 0.00 175.02 176.10 1nj3 s ASN 16 N -1.80 0.39 0.90 1.11 3.84 0.68 -4.91 114.94 115.15 1nj3 s ASN 16 Ca 0.43 -0.70 -0.11 0.00 0.21 0.00 0.00 52.86 52.69 1nj3 s ASN 16 Cb -0.15 0.13 0.13 0.00 -0.55 0.00 0.00 41.25 40.82 1nj3 s ASN 16 CO 0.20 -0.41 1.11 -1.10 -2.79 0.00 0.00 177.10 174.11 1nj3 s GLN 17 N -2.44 1.20 0.00 0.43 -1.52 -1.26 0.97 119.66 117.05 1nj3 s GLN 17 Ca -0.06 1.26 0.20 0.00 -1.95 0.00 0.00 55.36 54.80 1nj3 s GLN 17 Cb -0.03 -1.77 0.88 0.00 -0.22 0.00 0.00 33.01 31.87 1nj3 s GLN 17 CO -0.04 -2.41 1.62 -0.35 -0.25 0.00 0.00 175.29 173.86 1nj3 n PRO 18 N -4.05 0.08 -0.03 2.91 -0.04 -1.23 -2.86 135.00 129.78 1nj3 n PRO 18 Ca 0.09 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 1nj3 n PRO 18 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1nj3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nj3 n GLY 19 N 0.47 -1.01 2.78 0.55 0.00 -1.26 -4.59 105.19 102.13 1nj3 n GLY 19 Ca 0.06 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1nj3 n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nj3 n THR 20 N -2.38 5.10 -0.09 2.61 -2.24 -1.13 -4.78 114.28 111.37 1nj3 n THR 20 Ca -0.10 -5.04 0.26 0.00 -2.27 0.00 0.00 64.05 56.90 1nj3 n THR 20 Cb 0.70 -2.09 0.71 0.00 -2.10 0.00 0.00 70.33 67.55 1nj3 n THR 20 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1nj3 h GLY 21 N 6.12 0.00 0.00 3.38 0.00 -1.81 -3.32 103.07 107.44 1nj3 h GLY 21 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1nj3 h GLY 21 CO 1.45 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.41 1nj3 n HIS 22 N -3.96 0.00 0.00 5.60 8.25 -1.25 0.10 115.22 123.97 1nj3 n HIS 22 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1nj3 n HIS 22 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1nj3 n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nj3 n GLU 24 N -0.30 2.83 0.10 0.00 2.13 -1.26 -4.00 120.64 120.13 1nj3 n GLU 24 Ca 0.00 -2.98 0.00 0.00 0.66 0.00 0.00 57.16 54.84 1nj3 n GLU 24 Cb 0.00 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1nj3 n GLU 24 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1nj3 n MET 25 N -0.59 0.00 -0.08 5.31 1.56 -1.26 -4.95 117.12 117.12 1nj3 n MET 25 Ca 0.28 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.56 1nj3 n MET 25 Cb 1.03 -0.15 -0.12 0.00 2.15 0.00 0.00 33.22 36.14 1nj3 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nj3 n SER 27 N -4.58 -0.28 -4.58 0.00 2.88 -1.26 -5.05 113.62 100.76 1nj3 n SER 27 Ca -0.15 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 1nj3 n SER 27 Cb 0.50 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1nj3 n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nj3 s LEU 28 N -0.11 2.72 0.58 2.46 1.43 -1.26 -4.87 118.68 119.63 1nj3 s LEU 28 Ca 0.00 -1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 51.61 1nj3 s LEU 28 Cb 0.00 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 1nj3 s LEU 28 CO 0.00 -0.46 1.02 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.74 3.68 0.00 1.29 0.04 -1.26 -3.00 135.00 132.01 1nj3 s PRO 29 Ca 0.35 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.41 1nj3 s PRO 29 Cb 0.09 -2.09 0.71 0.00 0.04 0.00 0.00 34.50 33.25 1nj3 s PRO 29 CO 0.17 -0.50 1.52 -2.13 0.04 0.00 0.00 177.00 176.11 1nj3 n ARG 30 N -2.31 0.03 0.00 4.56 0.63 0.29 -4.85 116.66 115.00 1nj3 n ARG 30 Ca 0.06 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1nj3 n ARG 30 Cb 0.54 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53