#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 6.39 -0.30 1.61 1.04 -1.26 -4.97 113.70 116.21 1nj3 s SER 2 Ca 0.00 2.82 -0.11 0.00 0.48 0.00 0.00 55.95 59.14 1nj3 s SER 2 Cb 0.00 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.69 1nj3 s SER 2 CO 0.00 -1.00 0.77 -0.89 0.98 0.00 0.00 173.24 173.10 1nj3 s THR 3 N 2.04 -0.82 0.14 2.02 2.01 -1.26 -5.17 115.64 114.61 1nj3 s THR 3 Ca 0.78 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1nj3 s THR 3 Cb -0.48 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.07 1nj3 s THR 3 CO 0.35 0.00 0.08 -1.20 -0.69 0.00 0.00 174.62 173.16 1nj3 n SER 4 N 5.29 -2.20 -4.70 3.53 7.64 -1.26 -4.92 113.62 117.01 1nj3 n SER 4 Ca -0.10 -0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 1nj3 n SER 4 Cb 0.50 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 -2.01 3.30 1.15 -0.43 0.00 -1.26 -4.62 121.76 117.89 1nj3 s ALA 5 Ca 0.07 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 1nj3 s ALA 5 Cb -0.01 -3.30 0.27 0.00 0.00 0.00 0.00 23.12 20.08 1nj3 s ALA 5 CO 0.05 -0.37 1.19 -1.64 0.00 0.00 0.00 175.76 175.00 1nj3 s MET 6 N 1.39 -0.85 0.07 0.00 1.00 -1.26 -4.00 119.30 115.65 1nj3 s MET 6 Ca 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 55.69 55.89 1nj3 s MET 6 Cb -0.19 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 32.94 1nj3 s MET 6 CO 0.22 -3.43 -0.03 1.67 0.00 0.00 0.00 175.02 173.45 1nj3 s TRP 7 N -3.32 0.63 -0.25 -0.03 1.48 0.25 -4.89 118.94 112.81 1nj3 s TRP 7 Ca 0.73 -1.06 -0.05 0.00 -1.06 0.00 0.00 56.10 54.66 1nj3 s TRP 7 Cb -0.06 -0.42 -0.00 0.00 -1.16 0.00 0.00 33.47 31.82 1nj3 s TRP 7 CO 0.55 -0.36 0.00 0.00 -4.06 0.00 0.00 176.95 173.09 1nj3 s ALA 8 N -3.88 2.91 0.86 2.67 0.00 -1.26 -0.36 121.76 122.69 1nj3 s ALA 8 Ca 0.10 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1nj3 s ALA 8 Cb 0.07 -1.87 0.11 0.00 0.00 0.00 0.00 23.12 21.44 1nj3 s ALA 8 CO -0.08 -0.63 1.10 0.00 0.00 0.00 0.00 175.76 176.15 1nj3 n GLN 10 N -3.86 2.45 0.14 0.00 0.00 -1.26 -4.07 117.38 110.78 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 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.87 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 -0.95 -2.35 0.05 2.61 -0.00 -1.26 -4.88 115.22 108.44 1nj3 n HIS 11 Ca 0.30 0.42 -0.14 0.00 0.46 0.00 0.00 57.72 58.76 1nj3 n HIS 11 Cb 0.81 0.54 -0.14 0.00 -0.12 0.00 0.00 29.99 31.08 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 -3.37 0.00 -4.49 0.00 5.66 -1.26 -5.08 114.28 105.74 1nj3 n THR 13 Ca -0.14 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.61 1nj3 n THR 13 Cb 1.03 -1.29 -0.10 0.00 -1.55 0.00 0.00 70.33 68.42 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 -2.81 2.44 0.33 1.09 5.36 -1.26 -4.90 117.98 118.24 1nj3 s PHE 14 Ca 0.00 -0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 55.34 1nj3 s PHE 14 Cb 0.00 -1.40 -0.09 0.00 -0.34 0.00 0.00 43.02 41.19 1nj3 s PHE 14 CO 0.00 0.56 0.75 1.41 -1.46 0.00 0.00 175.22 176.48 1nj3 s MET 15 N -3.64 4.00 0.02 10.12 1.75 -1.26 -2.09 119.30 128.20 1nj3 s MET 15 Ca 0.33 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 1nj3 s MET 15 Cb 0.02 -2.42 -0.02 0.00 2.84 0.00 0.00 34.83 35.25 1nj3 s MET 15 CO 0.17 0.14 -0.03 1.21 -0.65 0.00 0.00 175.02 175.86 1nj3 s ASN 16 N -2.32 0.25 0.96 1.11 3.84 0.51 -4.95 114.94 114.35 1nj3 s ASN 16 Ca 0.54 -0.42 -0.11 0.00 0.21 0.00 0.00 52.86 53.08 1nj3 s ASN 16 Cb -0.10 0.08 0.17 0.00 -0.55 0.00 0.00 41.25 40.85 1nj3 s ASN 16 CO 0.18 -0.24 1.09 -1.10 -2.79 0.00 0.00 177.10 174.24 1nj3 s GLN 17 N -1.23 0.68 0.00 0.43 -1.52 -1.26 -0.59 119.66 116.17 1nj3 s GLN 17 Ca -0.13 1.08 0.22 0.00 -1.95 0.00 0.00 55.36 54.58 1nj3 s GLN 17 Cb -0.08 -1.72 1.16 0.00 -0.22 0.00 0.00 33.01 32.15 1nj3 s GLN 17 CO -0.01 -2.71 1.71 -0.35 -0.25 0.00 0.00 175.29 173.68 1nj3 n PRO 18 N -4.24 0.41 -0.01 2.91 -0.04 -1.26 -3.01 135.00 129.76 1nj3 n PRO 18 Ca 0.08 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 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 0.53 -0.63 3.16 0.55 0.00 -1.26 -4.75 105.19 102.80 1nj3 n GLY 19 Ca 0.12 -0.33 -0.44 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 -1.97 4.64 0.12 2.61 -2.24 -1.16 -4.80 114.28 111.48 1nj3 n THR 20 Ca -0.02 -5.12 0.15 0.00 -2.27 0.00 0.00 64.05 56.78 1nj3 n THR 20 Cb 0.36 -2.37 0.67 0.00 -2.10 0.00 0.00 70.33 66.89 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 7.39 0.00 0.00 3.38 0.00 -1.85 -3.36 103.07 108.63 1nj3 h GLY 21 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1nj3 h GLY 21 CO 1.31 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.27 1nj3 n HIS 22 N -4.45 0.00 0.00 5.60 8.25 -1.25 0.77 115.22 124.14 1nj3 n HIS 22 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1nj3 n HIS 22 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.31 2.92 0.10 0.00 1.02 -1.26 -3.76 120.64 119.36 1nj3 n GLU 24 Ca 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1nj3 n GLU 24 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 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 -0.60 0.00 -0.09 3.49 2.81 -1.26 -4.95 117.12 116.52 1nj3 n MET 25 Ca 0.40 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 56.11 1nj3 n MET 25 Cb 1.28 -0.14 -0.12 0.00 -0.71 0.00 0.00 33.22 33.53 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 -4.51 -0.23 -4.63 0.00 2.88 -1.25 -5.06 113.62 100.83 1nj3 n SER 27 Ca -0.21 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.05 1nj3 n SER 27 Cb 0.59 -0.07 -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 -0.08 2.83 0.65 2.46 1.43 -1.26 -4.87 118.68 119.83 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 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1nj3 s LEU 28 CO 0.00 -0.48 1.05 -2.16 0.23 0.00 0.00 176.35 174.99 1nj3 s PRO 29 N -3.72 3.31 0.00 1.29 0.04 -1.26 -2.91 135.00 131.75 1nj3 s PRO 29 Ca 0.33 0.76 0.16 0.00 0.04 0.00 0.00 61.00 62.29 1nj3 s PRO 29 Cb 0.09 -2.05 0.67 0.00 0.04 0.00 0.00 34.50 33.26 1nj3 s PRO 29 CO 0.17 -0.78 1.50 -2.13 0.04 0.00 0.00 177.00 175.81 1nj3 n ARG 30 N -2.89 0.00 0.00 4.56 0.63 0.23 -4.83 116.66 114.36 1nj3 n ARG 30 Ca 0.06 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 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