#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj3 s SER 2 N 0.00 6.79 -0.29 1.61 1.04 -1.26 -5.08 113.70 116.52 1nj3 s SER 2 Ca 0.00 1.02 -0.15 0.00 0.48 0.00 0.00 55.95 57.30 1nj3 s SER 2 Cb 0.00 -2.27 0.11 0.00 0.10 0.00 0.00 66.02 63.96 1nj3 s SER 2 CO 0.00 0.12 0.80 -0.89 0.98 0.00 0.00 173.24 174.25 1nj3 s THR 3 N -1.44 -0.11 0.00 2.02 2.01 -1.26 -5.03 115.64 111.82 1nj3 s THR 3 Ca 0.37 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1nj3 s THR 3 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1nj3 s THR 3 CO 0.19 0.00 0.00 -1.54 -0.69 0.00 0.00 174.62 172.58 1nj3 n SER 4 N 4.24 0.00 -3.65 3.53 3.41 -1.26 -5.06 113.62 114.84 1nj3 n SER 4 Ca -0.18 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 1nj3 n SER 4 Cb 0.57 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nj3 s ALA 5 N -3.93 -1.67 1.05 7.33 0.00 -1.26 -5.04 121.76 118.24 1nj3 s ALA 5 Ca 0.00 1.91 -0.15 0.00 0.00 0.00 0.00 51.96 53.71 1nj3 s ALA 5 Cb 0.00 -1.11 0.21 0.00 0.00 0.00 0.00 23.12 22.23 1nj3 s ALA 5 CO 0.00 -0.32 1.14 -1.64 0.00 0.00 0.00 175.76 174.94 1nj3 s MET 6 N 0.37 0.00 0.09 0.00 1.00 -1.26 -3.54 119.30 115.97 1nj3 s MET 6 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 55.69 55.83 1nj3 s MET 6 Cb -0.05 -1.72 -0.04 0.00 0.00 0.00 0.00 34.83 33.02 1nj3 s MET 6 CO 0.01 -2.93 -0.07 1.67 0.00 0.00 0.00 175.02 173.70 1nj3 s TRP 7 N -3.18 0.88 -0.31 -0.03 1.48 0.33 -4.88 118.94 113.23 1nj3 s TRP 7 Ca 0.68 -0.86 -0.08 0.00 -1.06 0.00 0.00 56.10 54.77 1nj3 s TRP 7 Cb -0.13 -0.51 0.00 0.00 -1.16 0.00 0.00 33.47 31.68 1nj3 s TRP 7 CO 0.55 -0.14 0.13 0.00 -4.06 0.00 0.00 176.95 173.43 1nj3 s ALA 8 N -3.36 3.18 0.84 2.67 0.00 -1.26 0.23 121.76 124.07 1nj3 s ALA 8 Ca 0.09 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 1nj3 s ALA 8 Cb 0.03 -2.30 0.10 0.00 0.00 0.00 0.00 23.12 20.95 1nj3 s ALA 8 CO -0.04 -0.98 1.11 0.00 0.00 0.00 0.00 175.76 175.85 1nj3 n GLN 10 N -3.85 2.61 0.13 0.00 0.00 -1.26 -4.00 117.38 111.01 1nj3 n GLN 10 Ca 0.10 -3.68 0.00 0.00 0.00 0.00 0.00 57.00 53.41 1nj3 n GLN 10 Cb 0.53 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.78 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 -0.92 -2.22 0.04 2.61 -0.00 -1.26 -4.89 115.22 108.57 1nj3 n HIS 11 Ca 0.35 0.39 -0.14 0.00 0.46 0.00 0.00 57.72 58.78 1nj3 n HIS 11 Cb 0.87 0.55 -0.14 0.00 -0.12 0.00 0.00 29.99 31.15 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 -3.34 0.00 -4.49 0.00 5.66 -1.26 -5.08 114.28 105.77 1nj3 n THR 13 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.58 1nj3 n THR 13 Cb 1.03 -1.18 -0.10 0.00 -1.55 0.00 0.00 70.33 68.54 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 -2.72 2.45 0.30 1.09 5.36 -1.26 -4.89 117.98 118.30 1nj3 s PHE 14 Ca 0.00 -0.49 -0.16 0.00 -0.96 0.00 0.00 56.93 55.31 1nj3 s PHE 14 Cb 0.00 -1.43 -0.09 0.00 -0.34 0.00 0.00 43.02 41.16 1nj3 s PHE 14 CO 0.00 0.55 0.74 1.41 -1.46 0.00 0.00 175.22 176.46 1nj3 s MET 15 N -3.64 4.07 0.01 10.12 1.75 -1.26 -2.04 119.30 128.31 1nj3 s MET 15 Ca 0.33 0.74 0.00 0.00 -1.25 0.00 0.00 55.69 55.51 1nj3 s MET 15 Cb 0.02 -2.53 -0.01 0.00 2.84 0.00 0.00 34.83 35.15 1nj3 s MET 15 CO 0.17 0.21 -0.02 1.21 -0.65 0.00 0.00 175.02 175.94 1nj3 s ASN 16 N -2.12 0.17 0.97 1.11 3.84 0.14 -4.93 114.94 114.12 1nj3 s ASN 16 Ca 0.52 -0.29 -0.11 0.00 0.21 0.00 0.00 52.86 53.19 1nj3 s ASN 16 Cb -0.12 0.05 0.17 0.00 -0.55 0.00 0.00 41.25 40.81 1nj3 s ASN 16 CO 0.18 -0.16 1.09 -1.10 -2.79 0.00 0.00 177.10 174.32 1nj3 s GLN 17 N -0.83 0.64 0.00 0.43 -1.52 -1.26 0.12 119.66 117.24 1nj3 s GLN 17 Ca -0.09 1.04 0.22 0.00 -1.95 0.00 0.00 55.36 54.59 1nj3 s GLN 17 Cb -0.06 -1.72 1.21 0.00 -0.22 0.00 0.00 33.01 32.22 1nj3 s GLN 17 CO -0.01 -2.73 1.73 -0.35 -0.25 0.00 0.00 175.29 173.69 1nj3 n PRO 18 N -4.25 0.45 -0.01 2.91 -0.04 -1.23 -2.96 135.00 129.88 1nj3 n PRO 18 Ca 0.07 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1nj3 n PRO 18 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.54 -0.60 2.77 0.55 0.00 -1.26 -4.68 105.19 102.51 1nj3 n GLY 19 Ca 0.13 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.88 5.29 -0.26 2.61 -2.24 -1.15 -4.79 114.28 111.85 1nj3 n THR 20 Ca -0.02 -5.24 0.33 0.00 -2.27 0.00 0.00 64.05 56.85 1nj3 n THR 20 Cb 0.35 -2.01 0.74 0.00 -2.10 0.00 0.00 70.33 67.31 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 5.73 0.00 0.00 3.38 0.00 -1.83 -3.32 103.07 107.02 1nj3 h GLY 21 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1nj3 h GLY 21 CO 1.40 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.36 1nj3 n HIS 22 N -4.21 0.00 0.00 5.60 8.25 -1.25 0.10 115.22 123.71 1nj3 n HIS 22 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1nj3 n HIS 22 Cb 1.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.25 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 3.10 0.10 0.00 -0.58 -1.26 -3.65 120.64 118.04 1nj3 n GLU 24 Ca 0.00 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 1nj3 n GLU 24 Cb 0.00 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.72 1nj3 n GLU 24 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1nj3 n MET 25 N -0.55 0.00 -0.08 3.49 2.81 -1.26 -4.95 117.12 116.58 1nj3 n MET 25 Ca 0.45 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.17 1nj3 n MET 25 Cb 1.42 -0.14 -0.12 0.00 -0.71 0.00 0.00 33.22 33.68 1nj3 n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nj3 n SER 27 N -4.54 -0.12 -4.61 0.00 2.88 -1.24 -5.06 113.62 100.93 1nj3 n SER 27 Ca -0.19 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.07 1nj3 n SER 27 Cb 0.54 -0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.04 2.78 0.67 2.46 1.43 -1.26 -4.87 118.68 119.84 1nj3 s LEU 28 Ca 0.00 -1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 1nj3 s LEU 28 Cb 0.00 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1nj3 s LEU 28 CO 0.00 -0.49 1.06 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.74 3.19 0.00 1.29 0.04 -1.26 -2.88 135.00 131.64 1nj3 s PRO 29 Ca 0.33 0.70 0.16 0.00 0.04 0.00 0.00 61.00 62.23 1nj3 s PRO 29 Cb 0.09 -2.04 0.70 0.00 0.04 0.00 0.00 34.50 33.29 1nj3 s PRO 29 CO 0.17 -0.85 1.51 -2.13 0.04 0.00 0.00 177.00 175.74 1nj3 n ARG 30 N -2.92 0.02 0.00 4.56 0.63 0.29 -4.84 116.66 114.40 1nj3 n ARG 30 Ca 0.07 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1nj3 n ARG 30 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53