#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne5 n ARG 2 N 0.00 1.14 0.00 -0.67 1.74 -1.26 -5.02 116.66 112.60 1ne5 n ARG 2 Ca 0.00 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.45 1ne5 n ARG 2 Cb 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1ne5 n ARG 2 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ne5 n ASP 3 N -0.21 0.00 -2.93 0.55 2.03 -1.26 -4.99 116.55 109.74 1ne5 n ASP 3 Ca 0.05 0.56 -0.07 0.00 0.52 0.00 0.00 54.79 55.85 1ne5 n ASP 3 Cb 0.81 -0.15 0.01 0.00 -0.72 0.00 0.00 41.12 41.07 1ne5 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ne5 n SER 4 N -0.95 -7.50 0.23 1.67 7.64 -1.26 -4.81 113.62 108.64 1ne5 n SER 4 Ca 0.00 0.81 0.08 0.00 1.01 0.00 0.00 58.87 60.77 1ne5 n SER 4 Cb 0.00 -4.36 0.56 0.00 -1.01 0.00 0.00 64.21 59.41 1ne5 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ne5 h VAL 6 N 0.00 0.69 -0.64 0.00 2.07 -1.84 0.44 116.25 116.97 1ne5 h VAL 6 Ca -0.00 -0.24 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 1ne5 h VAL 6 Cb 0.41 -0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 1ne5 h VAL 6 CO 0.03 0.13 0.23 -0.67 0.02 0.00 0.00 177.57 177.30 1ne5 n ASP 7 N -4.82 4.08 0.01 0.57 -0.08 -1.07 -4.20 116.55 111.05 1ne5 n ASP 7 Ca 0.22 -3.36 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 1ne5 n ASP 7 Cb 0.54 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ne5 n LYS 8 N -0.56 0.00 -3.65 -0.67 3.00 0.63 -5.06 118.16 111.85 1ne5 n LYS 8 Ca 0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.35 1ne5 n LYS 8 Cb 1.30 -0.28 -0.07 0.00 0.00 0.00 0.00 35.03 35.98 1ne5 n LYS 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ne5 s SER 9 N -5.03 6.34 0.53 3.14 0.15 0.12 -5.07 113.70 113.88 1ne5 s SER 9 Ca 0.00 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.87 1ne5 s SER 9 Cb 0.00 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 62.11 1ne5 s SER 9 CO 0.00 0.17 1.01 -0.60 1.20 0.00 0.00 173.24 175.02 1ne5 s ARG 10 N 0.24 3.78 0.25 5.44 3.52 -1.26 -4.30 118.95 126.62 1ne5 s ARG 10 Ca 0.13 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.84 1ne5 s ARG 10 Cb -0.12 -2.11 -0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1ne5 s ARG 10 CO 0.01 -0.42 -0.02 0.00 -0.81 0.00 0.00 175.30 174.07 1ne5 s ALA 12 N -3.30 3.47 0.32 0.00 0.00 -1.26 -4.19 121.76 116.80 1ne5 s ALA 12 Ca 0.29 -1.70 0.07 0.00 0.00 0.00 0.00 51.96 50.62 1ne5 s ALA 12 Cb 0.05 -2.11 0.89 0.00 0.00 0.00 0.00 23.12 21.96 1ne5 s ALA 12 CO 0.10 -1.67 1.60 -0.22 0.00 0.00 0.00 175.76 175.57 1ne5 h LYS 13 N -0.75 0.09 0.00 0.00 3.64 -1.93 -0.08 116.57 117.55 1ne5 h LYS 13 Ca -0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1ne5 h LYS 13 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ne5 h LYS 13 CO 0.38 0.06 0.00 2.48 -2.27 0.00 0.00 179.45 180.10 1ne5 n TYR 14 N -5.32 0.00 0.00 1.91 0.18 -1.26 -1.16 117.16 111.51 1ne5 n TYR 14 Ca 0.26 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.04 1ne5 n TYR 14 Cb 0.86 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.82 1ne5 n TYR 14 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ne5 n GLY 15 N -0.31 0.37 3.68 -7.48 0.00 -0.60 -4.93 105.19 95.92 1ne5 n GLY 15 Ca 0.00 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1ne5 n GLY 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ne5 s TYR 16 N 0.00 2.87 -0.30 1.61 6.14 -1.26 -1.15 117.35 125.26 1ne5 s TYR 16 Ca 0.00 -0.13 -0.02 0.00 0.64 0.00 0.00 57.07 57.56 1ne5 s TYR 16 Cb 0.00 -1.38 0.18 0.00 0.42 0.00 0.00 41.96 41.18 1ne5 s TYR 16 CO 0.00 0.52 0.59 -0.47 0.64 0.00 0.00 175.55 176.83 1ne5 s TYR 17 N -1.77 -1.52 0.56 4.97 5.04 -1.26 -4.88 117.35 118.49 1ne5 s TYR 17 Ca 0.28 1.72 0.33 0.00 -2.44 0.00 0.00 57.07 56.96 1ne5 s TYR 17 Cb -0.09 0.55 1.46 0.00 0.35 0.00 0.00 41.96 44.23 1ne5 s TYR 17 CO 0.19 -0.84 1.78 0.37 -1.34 0.00 0.00 175.55 175.71 1ne5 h GLN 18 N 8.01 0.00 0.08 4.97 4.15 -1.99 0.15 115.11 130.48 1ne5 h GLN 18 Ca -0.22 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1ne5 h GLN 18 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1ne5 h GLN 18 CO 0.24 0.00 -0.04 1.49 -1.93 0.00 0.00 178.83 178.60 1ne5 h GLU 19 N 0.00 -0.10 0.49 1.69 4.81 -1.95 -0.75 114.58 118.77 1ne5 h GLU 19 Ca 0.46 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1ne5 h GLU 19 Cb 2.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.43 1ne5 h GLU 19 CO -0.00 0.18 -0.24 0.00 -0.73 0.00 0.00 179.01 178.22 1ne5 h GLN 21 N -0.88 0.12 -0.27 0.00 3.07 -1.47 -0.74 115.11 114.95 1ne5 h GLN 21 Ca -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 1ne5 h GLN 21 Cb 0.59 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1ne5 h GLN 21 CO 0.11 0.08 -0.19 -0.44 0.09 0.00 0.00 178.83 178.49 1ne5 h ASP 22 N 0.13 0.63 0.81 0.06 5.19 -0.92 -2.39 116.42 119.93 1ne5 h ASP 22 Ca 0.28 -0.44 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1ne5 h ASP 22 Cb 0.93 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1ne5 h ASP 22 CO -0.03 0.94 -0.46 0.00 -3.12 0.00 0.00 179.24 176.56 1ne5 h LYS 25 N -0.50 0.60 0.00 0.00 3.64 -1.40 0.23 116.57 119.14 1ne5 h LYS 25 Ca 0.07 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1ne5 h LYS 25 Cb 0.63 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ne5 h LYS 25 CO -0.38 0.40 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.01 1ne5 h ASN 26 N 0.62 0.00 0.39 4.20 -0.73 0.06 -2.73 115.58 117.38 1ne5 h ASN 26 Ca 0.48 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.45 1ne5 h ASN 26 Cb 0.71 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.30 1ne5 h ASN 26 CO -0.38 0.21 -0.87 0.00 -0.37 0.00 0.00 177.43 176.03 1ne5 h ALA 27 N 1.79 0.47 0.00 1.57 0.00 0.13 -3.47 119.26 119.75 1ne5 h ALA 27 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1ne5 h ALA 27 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ne5 h ALA 27 CO 0.03 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1ne5 n GLY 28 N 0.82 0.03 0.00 0.00 0.00 -0.76 -5.11 105.19 100.18 1ne5 n GLY 28 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ne5 n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ne5 n HIS 29 N 0.00 0.00 -0.09 1.61 8.25 -1.09 -5.00 115.22 118.89 1ne5 n HIS 29 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1ne5 n HIS 29 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1ne5 n HIS 29 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ne5 n ASN 30 N 0.00 1.33 0.00 0.41 3.02 -1.26 -4.30 115.26 114.45 1ne5 n ASN 30 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1ne5 n ASN 30 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ne5 n GLY 31 N 1.85 -0.80 0.00 7.41 0.00 -1.26 -4.19 105.19 108.20 1ne5 n GLY 31 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ne5 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ne5 n GLY 32 N 0.00 2.10 3.26 -0.02 0.00 -1.26 -0.79 105.19 108.48 1ne5 n GLY 32 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1ne5 n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ne5 s THR 33 N -2.07 0.07 -0.27 2.61 -1.32 -0.13 -4.69 115.64 109.84 1ne5 s THR 33 Ca 0.00 -0.57 -0.19 0.00 -1.21 0.00 0.00 61.69 59.72 1ne5 s THR 33 Cb 0.00 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 1ne5 s THR 33 CO 0.00 -0.32 0.55 0.00 -2.21 0.00 0.00 174.62 172.65 1ne5 s MET 35 N 2.39 1.69 -1.05 0.00 -1.94 -0.22 -1.56 119.30 118.61 1ne5 s MET 35 Ca 0.22 -1.34 -0.17 0.00 -1.71 0.00 0.00 55.69 52.69 1ne5 s MET 35 Cb -0.15 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1ne5 s MET 35 CO 0.10 -0.72 0.74 0.34 -0.01 0.00 0.00 175.02 175.47 1ne5 n PHE 36 N 4.50 -1.97 -1.75 -0.03 7.35 -0.31 -0.90 117.46 124.36 1ne5 n PHE 36 Ca -0.07 0.53 -0.20 0.00 -0.76 0.00 0.00 57.45 56.94 1ne5 n PHE 36 Cb 0.43 -3.30 -0.07 0.00 0.35 0.00 0.00 39.48 36.89 1ne5 n PHE 36 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1ne5 n PHE 37 N -3.80 -0.19 -4.57 -5.13 3.01 -0.04 -4.96 117.46 101.77 1ne5 n PHE 37 Ca -0.12 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 1ne5 n PHE 37 Cb 0.59 -3.49 -0.12 0.00 -0.01 0.00 0.00 39.48 36.45 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1ne5 s LYS 38 N -3.98 1.94 -0.49 -1.08 1.02 -0.08 -3.71 119.74 113.37 1ne5 s LYS 38 Ca 0.00 -1.06 -0.08 0.00 0.02 0.00 0.00 55.97 54.85 1ne5 s LYS 38 Cb 0.00 -2.14 0.13 0.00 -0.52 0.00 0.00 37.83 35.30 1ne5 s LYS 38 CO 0.00 0.52 0.35 0.00 -0.92 0.00 0.00 175.35 175.30 1ne5 s LYS 40 N 1.12 2.80 0.23 0.00 2.47 -0.90 -3.23 119.74 122.24 1ne5 s LYS 40 Ca 0.08 -1.17 -0.00 0.00 -1.56 0.00 0.00 55.97 53.32 1ne5 s LYS 40 Cb -0.24 -2.50 0.05 0.00 -1.46 0.00 0.00 37.83 33.68 1ne5 s LYS 40 CO -0.02 0.30 0.32 0.00 0.16 0.00 0.00 175.35 176.10