#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 5.33 0.03 1.61 1.04 -1.26 -4.89 113.70 115.56 1nj3 s SER 2 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1nj3 s SER 2 Cb 0.00 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1nj3 s SER 2 CO 0.00 0.30 0.00 0.41 0.98 0.00 0.00 173.24 174.93 1nj3 n THR 3 N 2.65-13.37 0.00 2.02 -1.04 -1.26 -5.00 114.28 98.27 1nj3 n THR 3 Ca -0.18 3.16 0.00 0.00 -2.04 0.00 0.00 64.05 64.99 1nj3 n THR 3 Cb 0.53 -6.05 0.00 0.00 -1.82 0.00 0.00 70.33 62.99 1nj3 n THR 3 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nj3 n SER 4 N 1.82 0.00 -3.65 8.00 7.64 -1.26 -5.01 113.62 121.15 1nj3 n SER 4 Ca 0.00 0.40 -0.07 0.00 1.01 0.00 0.00 58.87 60.21 1nj3 n SER 4 Cb 0.00 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.68 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 -3.11 -1.75 1.17 -0.43 0.00 -1.26 -5.08 121.76 111.29 1nj3 s ALA 5 Ca 0.00 2.26 -0.20 0.00 0.00 0.00 0.00 51.96 54.02 1nj3 s ALA 5 Cb 0.00 -1.39 0.28 0.00 0.00 0.00 0.00 23.12 22.01 1nj3 s ALA 5 CO 0.00 -0.44 1.19 -1.64 0.00 0.00 0.00 175.76 174.87 1nj3 s MET 6 N 1.79 -0.99 0.09 0.00 1.00 -1.26 -4.03 119.30 115.89 1nj3 s MET 6 Ca -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 55.69 55.29 1nj3 s MET 6 Cb -0.07 -1.64 -0.04 0.00 0.00 0.00 0.00 34.83 33.08 1nj3 s MET 6 CO -0.19 -3.52 -0.00 1.67 0.00 0.00 0.00 175.02 172.99 1nj3 s TRP 7 N -3.31 0.69 -0.25 -0.03 1.48 -0.31 -4.89 118.94 112.32 1nj3 s TRP 7 Ca 0.74 -1.12 -0.05 0.00 -1.06 0.00 0.00 56.10 54.61 1nj3 s TRP 7 Cb -0.06 -0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 31.81 1nj3 s TRP 7 CO 0.55 -0.41 -0.00 0.00 -4.06 0.00 0.00 176.95 173.03 1nj3 s ALA 8 N -3.94 2.90 0.86 2.67 0.00 -1.26 -0.70 121.76 122.29 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 0.08 -1.86 0.11 0.00 0.00 0.00 0.00 23.12 21.45 1nj3 s ALA 8 CO -0.05 -0.62 1.10 0.00 0.00 0.00 0.00 175.76 176.19 1nj3 n GLN 10 N -3.88 2.32 0.13 0.00 3.00 -1.26 -4.07 117.38 113.61 1nj3 n GLN 10 Ca 0.09 -3.62 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 1nj3 n GLN 10 Cb 0.53 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.92 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 -0.97 -2.16 0.04 1.08 -0.00 -1.26 -4.88 115.22 107.07 1nj3 n HIS 11 Ca 0.28 0.38 -0.14 0.00 0.46 0.00 0.00 57.72 58.70 1nj3 n HIS 11 Cb 0.79 0.52 -0.14 0.00 -0.12 0.00 0.00 29.99 31.04 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 -4.54 0.00 5.66 -1.26 -5.08 114.28 105.71 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 2.43 0.34 1.09 5.36 -1.26 -4.90 117.98 118.30 1nj3 s PHE 14 Ca 0.00 -0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 55.31 1nj3 s PHE 14 Cb 0.00 -1.44 -0.09 0.00 -0.34 0.00 0.00 43.02 41.15 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 3.99 0.03 10.12 1.75 -1.26 -2.08 119.30 128.22 1nj3 s MET 15 Ca 0.33 0.69 -0.00 0.00 -1.25 0.00 0.00 55.69 55.46 1nj3 s MET 15 Cb 0.03 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.28 1nj3 s MET 15 CO 0.17 0.11 -0.03 1.21 -0.65 0.00 0.00 175.02 175.82 1nj3 s ASN 16 N -2.39 0.35 0.91 1.11 3.84 0.12 -4.94 114.94 113.95 1nj3 s ASN 16 Ca 0.55 -0.62 -0.11 0.00 0.21 0.00 0.00 52.86 52.89 1nj3 s ASN 16 Cb -0.10 0.12 0.14 0.00 -0.55 0.00 0.00 41.25 40.86 1nj3 s ASN 16 CO 0.19 -0.36 1.10 -1.10 -2.79 0.00 0.00 177.10 174.14 1nj3 s GLN 17 N -2.03 1.10 0.00 0.43 -1.52 -1.26 -1.16 119.66 115.21 1nj3 s GLN 17 Ca -0.10 1.13 0.20 0.00 -1.95 0.00 0.00 55.36 54.63 1nj3 s GLN 17 Cb -0.06 -1.77 0.94 0.00 -0.22 0.00 0.00 33.01 31.90 1nj3 s GLN 17 CO -0.03 -2.44 1.63 -0.35 -0.25 0.00 0.00 175.29 173.85 1nj3 n PRO 18 N -4.06 0.16 -0.00 2.91 -0.04 -1.26 -2.90 135.00 129.81 1nj3 n PRO 18 Ca 0.08 0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1nj3 n PRO 18 Cb 0.54 -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 0.46 -0.24 2.56 0.55 0.00 -1.26 -4.69 105.19 102.57 1nj3 n GLY 19 Ca 0.07 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.55 5.52 -0.44 2.61 -2.24 -1.14 -4.77 114.28 112.26 1nj3 n THR 20 Ca 0.00 -4.91 0.40 0.00 -2.27 0.00 0.00 64.05 57.27 1nj3 n THR 20 Cb 0.22 -1.91 0.76 0.00 -2.10 0.00 0.00 70.33 67.30 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 5.19 0.11 0.00 3.38 0.00 -1.84 -3.30 103.07 106.62 1nj3 h GLY 21 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1nj3 h GLY 21 CO 1.38 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.32 1nj3 n HIS 22 N -4.15 0.00 0.00 5.60 8.25 -1.25 0.12 115.22 123.79 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 1.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.58 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 -0.27 2.93 0.11 0.00 1.02 -1.26 -3.81 120.64 119.36 1nj3 n GLU 24 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 1nj3 n GLU 24 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 1nj3 n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nj3 n MET 25 N -0.57 0.00 -0.07 3.49 2.81 -1.26 -4.94 117.12 116.58 1nj3 n MET 25 Ca 0.34 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 56.05 1nj3 n MET 25 Cb 1.17 -0.19 -0.12 0.00 -0.71 0.00 0.00 33.22 33.37 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 -4.44 -0.36 -4.66 0.00 2.88 -1.25 -5.06 113.62 100.74 1nj3 n SER 27 Ca -0.22 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.02 1nj3 n SER 27 Cb 0.63 -0.11 -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 -0.13 2.72 0.76 2.46 1.43 -1.26 -4.88 118.68 119.77 1nj3 s LEU 28 Ca 0.00 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.54 1nj3 s LEU 28 Cb 0.00 -0.85 0.05 0.00 0.03 0.00 0.00 46.19 45.42 1nj3 s LEU 28 CO 0.00 -0.56 1.10 -2.16 0.23 0.00 0.00 176.35 174.95 1nj3 s PRO 29 N -3.76 2.39 0.00 1.29 0.04 -1.26 -2.91 135.00 130.79 1nj3 s PRO 29 Ca 0.27 0.58 0.18 0.00 0.04 0.00 0.00 61.00 62.07 1nj3 s PRO 29 Cb 0.08 -1.96 0.87 0.00 0.04 0.00 0.00 34.50 33.53 1nj3 s PRO 29 CO 0.14 -1.39 1.55 -2.13 0.04 0.00 0.00 177.00 175.20 1nj3 n ARG 30 N -3.27 0.19 0.00 4.56 0.63 0.33 -4.79 116.66 114.31 1nj3 n ARG 30 Ca 0.07 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1nj3 n ARG 30 Cb 0.57 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1nj3 n ARG 30 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75