#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 -8.75 0.00 1.61 7.64 -1.26 -5.01 113.62 107.86 1nj3 n SER 2 Ca 0.00 1.81 0.00 0.00 1.01 0.00 0.00 58.87 61.69 1nj3 n SER 2 Cb 0.00 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.01 1nj3 n SER 2 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1nj3 n THR 3 N 1.81 0.00 -3.51 0.44 5.66 -1.26 -5.15 114.28 112.26 1nj3 n THR 3 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1nj3 n THR 3 Cb 0.06 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1nj3 n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1nj3 n SER 4 N -0.76 0.00 -4.65 1.09 7.64 -1.26 -5.04 113.62 110.63 1nj3 n SER 4 Ca 0.00 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.93 1nj3 n SER 4 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.00 3.62 1.16 -0.43 0.00 -1.26 -4.72 121.76 119.13 1nj3 s ALA 5 Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 1nj3 s ALA 5 Cb 0.00 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.87 1nj3 s ALA 5 CO 0.00 -1.16 1.20 -1.64 0.00 0.00 0.00 175.76 174.16 1nj3 s MET 6 N 3.26 -0.92 0.09 0.00 1.00 -1.26 -4.09 119.30 117.38 1nj3 s MET 6 Ca 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 55.69 55.79 1nj3 s MET 6 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 32.99 1nj3 s MET 6 CO 0.09 -3.47 -0.02 1.67 0.00 0.00 0.00 175.02 173.30 1nj3 s TRP 7 N -3.35 0.77 -0.25 -0.03 1.48 -0.52 -4.90 118.94 112.14 1nj3 s TRP 7 Ca 0.74 -1.06 -0.05 0.00 -1.06 0.00 0.00 56.10 54.67 1nj3 s TRP 7 Cb -0.06 -0.48 -0.00 0.00 -1.16 0.00 0.00 33.47 31.78 1nj3 s TRP 7 CO 0.55 -0.33 0.00 0.00 -4.06 0.00 0.00 176.95 173.11 1nj3 s ALA 8 N -3.84 2.91 0.84 2.67 0.00 -1.26 -0.81 121.76 122.27 1nj3 s ALA 8 Ca 0.14 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1nj3 s ALA 8 Cb 0.07 -1.87 0.10 0.00 0.00 0.00 0.00 23.12 21.42 1nj3 s ALA 8 CO -0.05 -0.63 1.10 0.00 0.00 0.00 0.00 175.76 176.19 1nj3 n GLN 10 N -3.82 2.49 0.13 0.00 -0.00 -1.26 -4.04 117.38 110.89 1nj3 n GLN 10 Ca 0.09 -3.67 0.00 0.00 -0.00 0.00 0.00 57.00 53.42 1nj3 n GLN 10 Cb 0.53 -1.93 0.00 0.00 -0.00 0.00 0.00 30.24 28.84 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 -0.94 -2.28 0.04 2.61 -0.00 -1.26 -4.88 115.22 108.50 1nj3 n HIS 11 Ca 0.31 0.40 -0.14 0.00 0.46 0.00 0.00 57.72 58.76 1nj3 n HIS 11 Cb 0.83 0.53 -0.14 0.00 -0.12 0.00 0.00 29.99 31.09 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 -3.35 0.00 -4.54 0.00 5.66 -1.26 -5.08 114.28 105.72 1nj3 n THR 13 Ca -0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1nj3 n THR 13 Cb 1.03 -1.22 -0.10 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.75 2.42 0.35 1.09 5.36 -1.26 -4.90 117.98 118.29 1nj3 s PHE 14 Ca 0.00 -0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 55.32 1nj3 s PHE 14 Cb 0.00 -1.42 -0.09 0.00 -0.34 0.00 0.00 43.02 41.17 1nj3 s PHE 14 CO 0.00 0.57 0.77 1.41 -1.46 0.00 0.00 175.22 176.50 1nj3 s MET 15 N -3.62 3.98 0.03 10.12 1.75 -1.26 -2.09 119.30 128.21 1nj3 s MET 15 Ca 0.33 0.68 -0.00 0.00 -1.25 0.00 0.00 55.69 55.44 1nj3 s MET 15 Cb 0.03 -2.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.28 1nj3 s MET 15 CO 0.17 0.09 -0.03 1.21 -0.65 0.00 0.00 175.02 175.81 1nj3 s ASN 16 N -2.45 0.38 0.85 1.11 3.84 0.01 -4.94 114.94 113.75 1nj3 s ASN 16 Ca 0.54 -0.70 -0.10 0.00 0.21 0.00 0.00 52.86 52.81 1nj3 s ASN 16 Cb -0.10 0.13 0.10 0.00 -0.55 0.00 0.00 41.25 40.83 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 -2.41 1.63 0.00 0.43 -1.52 -1.26 -1.44 119.66 115.08 1nj3 s GLN 17 Ca -0.07 1.29 0.18 0.00 -1.95 0.00 0.00 55.36 54.81 1nj3 s GLN 17 Cb -0.03 -1.82 0.84 0.00 -0.22 0.00 0.00 33.01 31.78 1nj3 s GLN 17 CO -0.04 -2.12 1.56 -0.35 -0.25 0.00 0.00 175.29 174.09 1nj3 n PRO 18 N -3.86 0.12 -0.00 2.91 -0.04 -1.26 -2.76 135.00 130.12 1nj3 n PRO 18 Ca 0.10 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1nj3 n PRO 18 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.31 -0.34 2.59 0.55 0.00 -1.26 -4.68 105.19 102.36 1nj3 n GLY 19 Ca 0.06 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.61 5.43 -0.40 2.61 -2.24 -1.11 -4.77 114.28 112.18 1nj3 n THR 20 Ca -0.00 -4.92 0.38 0.00 -2.27 0.00 0.00 64.05 57.25 1nj3 n THR 20 Cb 0.25 -1.95 0.75 0.00 -2.10 0.00 0.00 70.33 67.28 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 5.39 0.11 0.00 3.38 0.00 -1.83 -3.31 103.07 106.80 1nj3 h GLY 21 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1nj3 h GLY 21 CO 1.40 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.34 1nj3 n HIS 22 N -4.17 0.00 0.00 5.60 8.25 -1.25 0.12 115.22 123.77 1nj3 n HIS 22 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1nj3 n HIS 22 Cb 1.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.49 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 -0.26 2.96 0.11 0.00 2.13 -1.26 -3.85 120.64 120.47 1nj3 n GLU 24 Ca 0.00 -3.02 0.00 0.00 0.66 0.00 0.00 57.16 54.80 1nj3 n GLU 24 Cb 0.00 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1nj3 n GLU 24 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1nj3 n MET 25 N -0.54 0.00 -0.07 5.31 2.81 -1.26 -4.94 117.12 118.43 1nj3 n MET 25 Ca 0.32 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 56.02 1nj3 n MET 25 Cb 1.13 -0.20 -0.12 0.00 -0.71 0.00 0.00 33.22 33.31 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 -4.43 -0.38 -4.67 0.00 2.88 -1.25 -5.06 113.62 100.71 1nj3 n SER 27 Ca -0.22 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.03 1nj3 n SER 27 Cb 0.63 -0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.14 2.73 0.76 2.46 1.43 -1.26 -4.88 118.68 119.77 1nj3 s LEU 28 Ca 0.00 -1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 51.56 1nj3 s LEU 28 Cb 0.00 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.38 1nj3 s LEU 28 CO 0.00 -0.58 1.10 -2.16 0.23 0.00 0.00 176.35 174.94 1nj3 s PRO 29 N -3.78 2.40 0.00 1.29 0.04 -1.26 -2.91 135.00 130.77 1nj3 s PRO 29 Ca 0.27 0.59 0.17 0.00 0.04 0.00 0.00 61.00 62.07 1nj3 s PRO 29 Cb 0.07 -1.96 0.78 0.00 0.04 0.00 0.00 34.50 33.43 1nj3 s PRO 29 CO 0.14 -1.39 1.52 -2.13 0.04 0.00 0.00 177.00 175.18 1nj3 n ARG 30 N -3.27 0.10 0.00 4.56 0.63 0.33 -4.78 116.66 114.23 1nj3 n ARG 30 Ca 0.07 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1nj3 n ARG 30 Cb 0.56 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53