#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 6.55 -0.23 1.61 0.01 -1.26 -5.10 113.70 115.28 1nj3 s SER 2 Ca 0.00 0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.79 1nj3 s SER 2 Cb 0.00 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.14 1nj3 s SER 2 CO 0.00 -0.01 0.62 -0.89 0.41 0.00 0.00 173.24 173.37 1nj3 s THR 3 N -1.74 -0.00 0.00 1.44 2.01 -1.26 -5.10 115.64 110.99 1nj3 s THR 3 Ca 0.44 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1nj3 s THR 3 Cb -0.12 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1nj3 s THR 3 CO 0.23 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.96 1nj3 n SER 4 N 2.81 0.00 -3.65 3.53 7.64 -1.26 -5.02 113.62 117.67 1nj3 n SER 4 Ca -0.14 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.86 1nj3 n SER 4 Cb 0.56 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 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 -3.73 -1.86 1.14 -0.43 0.00 -1.26 -5.07 121.76 110.55 1nj3 s ALA 5 Ca 0.00 2.23 -0.19 0.00 0.00 0.00 0.00 51.96 54.00 1nj3 s ALA 5 Cb 0.00 -1.61 0.27 0.00 0.00 0.00 0.00 23.12 21.78 1nj3 s ALA 5 CO 0.00 -0.75 1.18 -1.64 0.00 0.00 0.00 175.76 174.55 1nj3 s MET 6 N 2.51 -0.74 0.07 0.00 1.00 -1.26 -3.95 119.30 116.94 1nj3 s MET 6 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 55.69 55.40 1nj3 s MET 6 Cb -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 34.83 33.02 1nj3 s MET 6 CO -0.18 -3.36 -0.02 1.67 0.00 0.00 0.00 175.02 173.12 1nj3 s TRP 7 N -3.30 0.66 -0.27 -0.03 1.48 -0.11 -4.89 118.94 112.48 1nj3 s TRP 7 Ca 0.72 -1.06 -0.06 0.00 -1.06 0.00 0.00 56.10 54.64 1nj3 s TRP 7 Cb -0.07 -0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 31.80 1nj3 s TRP 7 CO 0.55 -0.35 0.05 0.00 -4.06 0.00 0.00 176.95 173.15 1nj3 s ALA 8 N -3.87 3.03 0.87 2.67 0.00 -1.26 -0.60 121.76 122.60 1nj3 s ALA 8 Ca 0.11 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 1nj3 s ALA 8 Cb 0.07 -2.05 0.12 0.00 0.00 0.00 0.00 23.12 21.26 1nj3 s ALA 8 CO -0.07 -0.76 1.10 0.00 0.00 0.00 0.00 175.76 176.03 1nj3 n GLN 10 N -3.92 2.39 0.12 0.00 3.00 -1.26 -4.06 117.38 113.65 1nj3 n GLN 10 Ca 0.09 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1nj3 n GLN 10 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.89 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 -0.96 -2.12 0.04 1.08 -0.00 -1.26 -4.88 115.22 107.12 1nj3 n HIS 11 Ca 0.30 0.37 -0.14 0.00 0.46 0.00 0.00 57.72 58.71 1nj3 n HIS 11 Cb 0.81 0.53 -0.14 0.00 -0.12 0.00 0.00 29.99 31.07 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 -3.36 0.00 -4.55 0.00 5.66 -1.26 -5.08 114.28 105.69 1nj3 n THR 13 Ca -0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.58 1nj3 n THR 13 Cb 1.03 -1.17 -0.11 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 -2.71 2.41 0.35 1.09 5.36 -1.26 -4.89 117.98 118.33 1nj3 s PHE 14 Ca 0.00 -0.53 -0.15 0.00 -0.96 0.00 0.00 56.93 55.29 1nj3 s PHE 14 Cb 0.00 -1.44 -0.09 0.00 -0.34 0.00 0.00 43.02 41.16 1nj3 s PHE 14 CO 0.00 0.56 0.76 1.41 -1.46 0.00 0.00 175.22 176.49 1nj3 s MET 15 N -3.63 3.98 0.03 10.12 1.75 -1.26 -2.07 119.30 128.22 1nj3 s MET 15 Ca 0.33 0.67 0.00 0.00 -1.25 0.00 0.00 55.69 55.44 1nj3 s MET 15 Cb 0.04 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.29 1nj3 s MET 15 CO 0.17 0.10 -0.03 1.21 -0.65 0.00 0.00 175.02 175.81 1nj3 s ASN 16 N -2.44 0.34 0.91 1.11 3.84 0.23 -4.93 114.94 114.01 1nj3 s ASN 16 Ca 0.54 -0.58 -0.11 0.00 0.21 0.00 0.00 52.86 52.92 1nj3 s ASN 16 Cb -0.10 0.11 0.14 0.00 -0.55 0.00 0.00 41.25 40.85 1nj3 s ASN 16 CO 0.20 -0.34 1.10 -1.10 -2.79 0.00 0.00 177.10 174.17 1nj3 s GLN 17 N -1.85 1.07 0.00 0.43 -1.52 -1.26 -0.94 119.66 115.59 1nj3 s GLN 17 Ca -0.12 1.17 0.19 0.00 -1.95 0.00 0.00 55.36 54.65 1nj3 s GLN 17 Cb -0.07 -1.76 0.88 0.00 -0.22 0.00 0.00 33.01 31.84 1nj3 s GLN 17 CO -0.02 -2.47 1.61 -0.35 -0.25 0.00 0.00 175.29 173.81 1nj3 n PRO 18 N -4.09 0.11 -0.00 2.91 -0.04 -1.25 -2.86 135.00 129.78 1nj3 n PRO 18 Ca 0.09 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1nj3 n PRO 18 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.43 -0.18 2.54 0.55 0.00 -1.26 -4.69 105.19 102.59 1nj3 n GLY 19 Ca 0.06 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.46 5.56 -0.45 2.61 -2.24 -1.13 -4.77 114.28 112.39 1nj3 n THR 20 Ca 0.01 -4.94 0.41 0.00 -2.27 0.00 0.00 64.05 57.26 1nj3 n THR 20 Cb 0.21 -1.88 0.77 0.00 -2.10 0.00 0.00 70.33 67.32 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 5.09 0.07 0.00 3.38 0.00 -1.84 -3.30 103.07 106.48 1nj3 h GLY 21 Ca 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1nj3 h GLY 21 CO 1.37 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.31 1nj3 n HIS 22 N -4.13 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.80 1nj3 n HIS 22 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1nj3 n HIS 22 Cb 1.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.61 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 -0.25 2.90 0.11 0.00 -0.58 -1.26 -3.88 120.64 117.68 1nj3 n GLU 24 Ca 0.00 -3.02 0.00 0.00 -0.42 0.00 0.00 57.16 53.72 1nj3 n GLU 24 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 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 -0.57 0.00 -0.09 3.49 2.81 -1.26 -4.94 117.12 116.56 1nj3 n MET 25 Ca 0.32 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 56.04 1nj3 n MET 25 Cb 1.12 -0.18 -0.12 0.00 -0.71 0.00 0.00 33.22 33.34 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 -4.53 -0.24 -4.61 0.00 2.88 -1.25 -5.06 113.62 100.81 1nj3 n SER 27 Ca -0.21 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.06 1nj3 n SER 27 Cb 0.57 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.09 2.75 0.67 2.46 1.43 -1.26 -4.88 118.68 119.77 1nj3 s LEU 28 Ca 0.00 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 51.59 1nj3 s LEU 28 Cb 0.00 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1nj3 s LEU 28 CO 0.00 -0.51 1.06 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.74 3.13 0.00 1.29 0.04 -1.26 -2.91 135.00 131.54 1nj3 s PRO 29 Ca 0.32 0.67 0.16 0.00 0.04 0.00 0.00 61.00 62.19 1nj3 s PRO 29 Cb 0.09 -2.03 0.71 0.00 0.04 0.00 0.00 34.50 33.30 1nj3 s PRO 29 CO 0.16 -0.89 1.51 -2.13 0.04 0.00 0.00 177.00 175.70 1nj3 n ARG 30 N -2.95 0.03 0.00 4.56 0.63 0.29 -4.83 116.66 114.40 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