#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 1.26 0.00 -1.24 1.74 -1.26 -5.01 116.66 112.16 1ne5 n ARG 2 Ca 0.00 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 1ne5 n ARG 2 Cb 0.00 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.46 0.00 -2.70 0.55 -0.08 -1.26 -5.02 116.55 107.58 1ne5 n ASP 3 Ca 0.02 0.61 -0.03 0.00 -1.51 0.00 0.00 54.79 53.88 1ne5 n ASP 3 Cb 0.83 -0.27 -0.02 0.00 2.34 0.00 0.00 41.12 43.99 1ne5 n ASP 3 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ne5 n SER 4 N -1.32 -4.07 0.25 1.67 2.88 -1.26 -4.74 113.62 107.03 1ne5 n SER 4 Ca 0.00 1.33 0.11 0.00 -1.33 0.00 0.00 58.87 58.98 1ne5 n SER 4 Cb 0.00 -4.95 0.67 0.00 -0.75 0.00 0.00 64.21 59.18 1ne5 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ne5 h VAL 6 N 0.00 0.79 -0.59 0.00 2.07 -1.82 0.50 116.25 117.21 1ne5 h VAL 6 Ca -0.00 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.08 1ne5 h VAL 6 Cb 0.37 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.09 1ne5 h VAL 6 CO 0.02 0.12 0.19 -0.67 0.02 0.00 0.00 177.57 177.25 1ne5 n ASP 7 N -4.85 3.87 0.04 0.57 2.03 -1.09 -4.12 116.55 113.01 1ne5 n ASP 7 Ca 0.15 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 52.07 1ne5 n ASP 7 Cb 0.37 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1ne5 n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ne5 n LYS 8 N -0.63 0.00 -3.43 -0.67 3.00 -0.27 -5.05 118.16 111.10 1ne5 n LYS 8 Ca 0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.31 1ne5 n LYS 8 Cb 1.25 -0.21 -0.08 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 -5.15 6.35 0.53 3.14 0.15 0.16 -5.06 113.70 113.81 1ne5 s SER 9 Ca 0.00 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1ne5 s SER 9 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1ne5 s SER 9 CO 0.00 -0.08 0.00 -1.14 1.20 0.00 0.00 173.24 173.22 1ne5 n ARG 10 N 4.66 -0.32 -3.73 5.44 0.63 -1.26 -4.34 116.66 117.74 1ne5 n ARG 10 Ca -0.09 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.86 1ne5 n ARG 10 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1ne5 n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ne5 n ALA 12 N -0.63 -0.19 -0.24 0.00 0.00 -1.26 -4.40 120.51 113.79 1ne5 n ALA 12 Ca -0.05 -1.66 0.02 0.00 0.00 0.00 0.00 53.44 51.76 1ne5 n ALA 12 Cb 0.62 0.19 0.11 0.00 0.00 0.00 0.00 19.45 20.38 1ne5 n ALA 12 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ne5 h LYS 13 N 0.00 0.06 0.00 0.00 3.64 -1.96 -0.36 116.57 117.95 1ne5 h LYS 13 Ca -0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1ne5 h LYS 13 Cb 1.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1ne5 h LYS 13 CO 0.30 0.04 0.00 2.48 -2.27 0.00 0.00 179.45 180.00 1ne5 n TYR 14 N -5.38 0.00 0.00 1.91 0.18 -1.26 0.65 117.16 113.26 1ne5 n TYR 14 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1ne5 n TYR 14 Cb 0.40 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 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 -0.16 0.11 3.26 -7.48 0.00 -0.89 -4.94 105.19 95.09 1ne5 n GLY 15 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 3.03 -0.31 1.61 6.14 -1.26 -0.95 117.35 125.61 1ne5 s TYR 16 Ca 0.00 -1.26 0.01 0.00 0.64 0.00 0.00 57.07 56.46 1ne5 s TYR 16 Cb 0.00 -2.10 0.07 0.00 0.42 0.00 0.00 41.96 40.35 1ne5 s TYR 16 CO 0.00 -0.65 -0.01 -0.47 0.64 0.00 0.00 175.55 175.07 1ne5 s TYR 17 N 1.40 3.41 0.55 4.97 5.04 -1.26 -4.97 117.35 126.50 1ne5 s TYR 17 Ca 0.03 -2.35 0.38 0.00 -2.44 0.00 0.00 57.07 52.68 1ne5 s TYR 17 Cb -0.16 -2.35 1.55 0.00 0.35 0.00 0.00 41.96 41.35 1ne5 s TYR 17 CO -0.03 -0.88 1.75 0.37 -1.34 0.00 0.00 175.55 175.41 1ne5 h GLN 18 N 7.84 0.00 -0.30 4.97 4.15 -1.97 0.32 115.11 130.11 1ne5 h GLN 18 Ca -0.16 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 1ne5 h GLN 18 Cb 1.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1ne5 h GLN 18 CO 0.52 0.00 0.03 1.49 -1.93 0.00 0.00 178.83 178.94 1ne5 h GLU 19 N 0.00 0.52 0.44 1.69 4.57 -1.95 -1.24 114.58 118.60 1ne5 h GLU 19 Ca 0.60 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.61 1ne5 h GLU 19 Cb 2.47 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 31.01 1ne5 h GLU 19 CO -0.01 0.63 -0.21 0.00 -1.18 0.00 0.00 179.01 178.24 1ne5 h GLN 21 N -0.93 0.15 -0.23 0.00 3.07 -1.47 -0.64 115.11 115.05 1ne5 h GLN 21 Ca -0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.58 1ne5 h GLN 21 Cb 0.57 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.10 1ne5 h GLN 21 CO 0.10 0.10 -0.22 -0.44 0.09 0.00 0.00 178.83 178.45 1ne5 h ASP 22 N 0.15 0.60 0.82 0.06 5.19 -1.12 -2.35 116.42 119.77 1ne5 h ASP 22 Ca 0.30 -0.47 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 1ne5 h ASP 22 Cb 0.99 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 1ne5 h ASP 22 CO -0.04 0.95 -0.49 0.00 -3.12 0.00 0.00 179.24 176.53 1ne5 h LYS 25 N -0.55 0.63 0.00 0.00 3.64 -1.40 0.48 116.57 119.37 1ne5 h LYS 25 Ca 0.05 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1ne5 h LYS 25 Cb 0.66 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ne5 h LYS 25 CO -0.38 0.42 -0.26 -0.97 -2.27 0.00 0.00 179.45 176.00 1ne5 h ASN 26 N 0.65 0.00 0.46 4.20 -0.73 0.21 -3.01 115.58 117.37 1ne5 h ASN 26 Ca 0.60 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.57 1ne5 h ASN 26 Cb 1.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 1ne5 h ASN 26 CO -0.39 0.26 -0.86 0.00 -0.37 0.00 0.00 177.43 176.07 1ne5 h ALA 27 N 1.74 0.51 0.00 1.57 0.00 0.17 -3.47 119.26 119.79 1ne5 h ALA 27 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ne5 h ALA 27 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ne5 h ALA 27 CO 0.03 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1ne5 n GLY 28 N 0.81 0.00 0.00 0.00 0.00 -0.75 -5.10 105.19 100.15 1ne5 n GLY 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.13 -5.00 115.22 118.85 1ne5 n HIS 29 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 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 2.02 0.00 0.41 4.13 -1.26 -4.35 115.26 116.21 1ne5 n ASN 30 Ca 0.00 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1ne5 n ASN 30 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ne5 n GLY 31 N 2.27 -0.74 0.00 7.41 0.00 -1.26 -4.28 105.19 108.59 1ne5 n GLY 31 Ca -0.34 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.71 3.27 -0.02 0.00 -1.26 -0.80 105.19 108.09 1ne5 n GLY 32 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.65 0.47 -0.18 2.61 -1.32 -0.13 -4.56 115.64 109.89 1ne5 s THR 33 Ca 0.00 -1.99 -0.05 0.00 -1.21 0.00 0.00 61.69 58.44 1ne5 s THR 33 Cb 0.00 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 1ne5 s THR 33 CO 0.00 -0.16 0.01 0.00 -2.21 0.00 0.00 174.62 172.27 1ne5 s MET 35 N 0.57 0.47 -0.90 0.00 -1.94 -0.45 -2.09 119.30 114.96 1ne5 s MET 35 Ca -0.00 -0.82 -0.07 0.00 -1.71 0.00 0.00 55.69 53.09 1ne5 s MET 35 Cb -0.14 -1.61 0.00 0.00 2.01 0.00 0.00 34.83 35.09 1ne5 s MET 35 CO 0.02 -1.00 0.68 0.34 -0.01 0.00 0.00 175.02 175.05 1ne5 n PHE 36 N 5.03 -2.22 -1.51 -0.03 7.35 0.21 -0.97 117.46 125.32 1ne5 n PHE 36 Ca -0.04 0.78 -0.18 0.00 -0.76 0.00 0.00 57.45 57.25 1ne5 n PHE 36 Cb 0.42 -3.27 -0.08 0.00 0.35 0.00 0.00 39.48 36.90 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 -2.92 -0.05 -4.86 -5.13 3.72 -0.15 -4.96 117.46 103.12 1ne5 n PHE 37 Ca -0.17 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.90 1ne5 n PHE 37 Cb 0.61 -3.22 -0.13 0.00 -0.94 0.00 0.00 39.48 35.80 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ne5 s LYS 38 N -3.50 2.57 -0.43 -1.08 1.02 -0.14 -4.10 119.74 114.09 1ne5 s LYS 38 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1ne5 s LYS 38 Cb 0.00 -2.41 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1ne5 s LYS 38 CO 0.00 0.60 0.30 0.00 -0.92 0.00 0.00 175.35 175.33 1ne5 s LYS 40 N 1.54 2.35 0.25 0.00 2.20 -0.90 -3.06 119.74 122.12 1ne5 s LYS 40 Ca 0.03 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.16 1ne5 s LYS 40 Cb -0.23 -2.17 0.05 0.00 -1.51 0.00 0.00 37.83 33.97 1ne5 s LYS 40 CO 0.05 0.24 0.34 0.00 -0.36 0.00 0.00 175.35 175.62