#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne5 s ARG 2 N 0.00 0.06 0.00 -1.24 3.52 -1.26 -5.10 118.95 114.93 1ne5 s ARG 2 Ca 0.00 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1ne5 s ARG 2 Cb 0.00 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1ne5 s ARG 2 CO 0.00 -0.07 0.00 -3.47 -0.81 0.00 0.00 175.30 170.95 1ne5 n ASP 3 N 5.37 0.00 -2.66 -2.12 2.03 -1.26 -5.13 116.55 112.79 1ne5 n ASP 3 Ca -0.04 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.22 1ne5 n ASP 3 Cb 0.56 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.27 -1.72 0.23 1.67 7.64 -1.26 -4.71 113.62 113.21 1ne5 n SER 4 Ca 0.00 1.32 0.13 0.00 1.01 0.00 0.00 58.87 61.33 1ne5 n SER 4 Cb 0.00 -4.73 0.38 0.00 -1.01 0.00 0.00 64.21 58.85 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 0.26 0.00 0.00 2.07 -1.79 0.42 116.25 117.21 1ne5 h VAL 6 Ca -0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 1ne5 h VAL 6 Cb 0.83 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1ne5 h VAL 6 CO 0.01 0.00 -1.30 -0.78 0.02 0.00 0.00 177.57 175.52 1ne5 h ASP 7 N -0.27 0.00 0.26 0.57 3.58 -1.86 -3.30 116.42 115.40 1ne5 h ASP 7 Ca 0.16 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1ne5 h ASP 7 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1ne5 h ASP 7 CO -0.49 0.87 -0.13 0.50 -2.88 0.00 0.00 179.24 177.11 1ne5 h LYS 8 N 0.00 -0.34 -6.81 0.28 3.64 -1.26 -3.45 116.57 108.64 1ne5 h LYS 8 Ca -0.15 0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.76 1ne5 h LYS 8 Cb 1.79 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1ne5 h LYS 8 CO 0.09 -0.23 0.11 0.45 -2.27 0.00 0.00 179.45 177.60 1ne5 s SER 9 N -3.12 6.60 0.31 4.20 0.15 0.14 -5.06 113.70 116.92 1ne5 s SER 9 Ca -0.05 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1ne5 s SER 9 Cb 0.01 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1ne5 s SER 9 CO 0.15 -0.34 0.00 -1.14 1.20 0.00 0.00 173.24 173.11 1ne5 n ARG 10 N -1.01 1.06 -3.75 5.44 0.63 -1.26 -4.61 116.66 113.16 1ne5 n ARG 10 Ca 0.03 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1ne5 n ARG 10 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1ne5 n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ne5 s ALA 12 N -2.50 3.39 0.28 0.00 0.00 -1.26 -4.43 121.76 117.24 1ne5 s ALA 12 Ca 0.18 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1ne5 s ALA 12 Cb 0.01 -2.14 0.66 0.00 0.00 0.00 0.00 23.12 21.65 1ne5 s ALA 12 CO -0.01 -1.75 1.66 -0.22 0.00 0.00 0.00 175.76 175.44 1ne5 h LYS 13 N -0.82 0.22 0.00 0.00 3.64 -1.95 -0.38 116.57 117.28 1ne5 h LYS 13 Ca -0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ne5 h LYS 13 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1ne5 h LYS 13 CO 0.38 0.15 0.00 2.48 -2.27 0.00 0.00 179.45 180.18 1ne5 n TYR 14 N -5.21 0.00 0.00 1.91 0.18 -1.26 -0.33 117.16 112.45 1ne5 n TYR 14 Ca 0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.98 1ne5 n TYR 14 Cb 0.63 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.59 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 -0.27 0.75 3.65 -7.48 0.00 -0.81 -4.93 105.19 96.10 1ne5 n GLY 15 Ca 0.00 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 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 3.14 -0.22 1.61 6.14 -1.26 -0.97 117.35 125.79 1ne5 s TYR 16 Ca 0.00 0.11 -0.03 0.00 0.64 0.00 0.00 57.07 57.79 1ne5 s TYR 16 Cb 0.00 -1.83 0.07 0.00 0.42 0.00 0.00 41.96 40.62 1ne5 s TYR 16 CO 0.00 0.37 0.05 -0.47 0.64 0.00 0.00 175.55 176.14 1ne5 s TYR 17 N -0.62 1.09 0.39 4.97 5.04 -1.26 -4.97 117.35 121.99 1ne5 s TYR 17 Ca 0.10 -1.00 0.20 0.00 -2.44 0.00 0.00 57.07 53.94 1ne5 s TYR 17 Cb -0.12 -1.13 1.19 0.00 0.35 0.00 0.00 41.96 42.25 1ne5 s TYR 17 CO 0.02 -0.67 1.69 0.37 -1.34 0.00 0.00 175.55 175.63 1ne5 h GLN 18 N 8.23 0.28 -0.31 4.97 4.15 -1.99 0.23 115.11 130.66 1ne5 h GLN 18 Ca -0.16 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1ne5 h GLN 18 Cb 1.10 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1ne5 h GLN 18 CO 0.36 0.18 0.13 0.93 -1.93 0.00 0.00 178.83 178.51 1ne5 h GLU 19 N 0.29 0.46 0.25 1.69 5.08 -1.97 -1.92 114.58 118.46 1ne5 h GLU 19 Ca 0.71 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1ne5 h GLU 19 Cb 1.87 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 1ne5 h GLU 19 CO -0.43 0.45 -0.15 0.00 -1.00 0.00 0.00 179.01 177.88 1ne5 h GLN 21 N -0.38 0.55 -0.36 0.00 3.07 -1.38 -0.26 115.11 116.36 1ne5 h GLN 21 Ca -0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 58.65 58.58 1ne5 h GLN 21 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.73 1ne5 h GLN 21 CO 0.03 0.36 -0.19 0.22 0.09 0.00 0.00 178.83 179.35 1ne5 h ASP 22 N 0.57 0.67 0.46 0.06 1.82 -0.82 -2.35 116.42 116.84 1ne5 h ASP 22 Ca 0.34 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1ne5 h ASP 22 Cb 0.56 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1ne5 h ASP 22 CO -0.12 0.86 -0.22 0.00 -1.61 0.00 0.00 179.24 178.15 1ne5 h LYS 25 N 0.01 0.02 -0.13 0.00 1.57 -1.49 0.13 116.57 116.68 1ne5 h LYS 25 Ca 0.31 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1ne5 h LYS 25 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1ne5 h LYS 25 CO -0.65 0.02 0.14 -0.97 -0.57 0.00 0.00 179.45 177.42 1ne5 h ASN 26 N 0.02 0.00 0.78 0.86 -0.73 -0.27 0.52 115.58 116.77 1ne5 h ASN 26 Ca 0.16 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.11 1ne5 h ASN 26 Cb 0.24 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 1ne5 h ASN 26 CO -0.32 0.00 -0.99 0.00 -0.37 0.00 0.00 177.43 175.75 1ne5 h ALA 27 N 1.84 0.38 0.00 1.57 0.00 0.50 -3.47 119.26 120.08 1ne5 h ALA 27 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1ne5 h ALA 27 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ne5 h ALA 27 CO -0.00 1.07 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1ne5 n GLY 28 N 1.18 0.60 0.00 0.00 0.00 0.17 -5.11 105.19 102.03 1ne5 n GLY 28 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 1.61 8.25 -1.02 -4.99 115.22 119.06 1ne5 n HIS 29 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1ne5 n HIS 29 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1ne5 n HIS 29 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ne5 n ASN 30 N 0.00 4.07 0.00 0.41 4.05 -1.26 -4.41 115.26 118.12 1ne5 n ASN 30 Ca 0.00 -0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1ne5 n ASN 30 Cb 0.00 0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.10 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ne5 n GLY 31 N 3.34 -0.70 0.00 8.20 0.00 -1.26 -4.54 105.19 110.23 1ne5 n GLY 31 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.44 3.28 -0.02 0.00 -1.26 -0.78 105.19 107.85 1ne5 n GLY 32 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.41 1.06 -0.19 2.61 -1.32 -0.17 -4.79 115.64 110.43 1ne5 s THR 33 Ca 0.00 -2.04 -0.04 0.00 -1.21 0.00 0.00 61.69 58.40 1ne5 s THR 33 Cb 0.00 -2.10 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 1ne5 s THR 33 CO 0.00 -0.53 -0.02 0.00 -2.21 0.00 0.00 174.62 171.86 1ne5 s MET 35 N 0.91 0.85 -1.08 0.00 -1.94 -0.81 -1.93 119.30 115.31 1ne5 s MET 35 Ca 0.00 -1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 52.55 1ne5 s MET 35 Cb -0.14 -2.16 -0.00 0.00 2.01 0.00 0.00 34.83 34.53 1ne5 s MET 35 CO 0.01 -1.00 0.76 0.34 -0.01 0.00 0.00 175.02 175.13 1ne5 n PHE 36 N 4.66 -1.98 -1.23 -0.03 7.35 0.55 -0.98 117.46 125.80 1ne5 n PHE 36 Ca -0.00 0.52 -0.08 0.00 -0.76 0.00 0.00 57.45 57.12 1ne5 n PHE 36 Cb 0.41 -3.37 -0.03 0.00 0.35 0.00 0.00 39.48 36.83 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 -3.89 0.00 -4.10 -5.13 3.72 -0.15 -4.98 117.46 102.93 1ne5 n PHE 37 Ca -0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.93 1ne5 n PHE 37 Cb 0.59 -1.97 -0.08 0.00 -0.94 0.00 0.00 39.48 37.09 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 -2.40 3.22 -0.67 -1.08 -0.14 -0.15 -3.89 119.74 114.63 1ne5 s LYS 38 Ca 0.00 -0.27 -0.08 0.00 -1.36 0.00 0.00 55.97 54.27 1ne5 s LYS 38 Cb 0.00 -3.00 0.17 0.00 -1.68 0.00 0.00 37.83 33.32 1ne5 s LYS 38 CO 0.00 0.74 0.53 0.00 -0.76 0.00 0.00 175.35 175.86 1ne5 s LYS 40 N 0.25 3.17 0.21 0.00 2.47 -0.82 -2.93 119.74 122.09 1ne5 s LYS 40 Ca 0.15 -0.94 0.01 0.00 -1.56 0.00 0.00 55.97 53.63 1ne5 s LYS 40 Cb -0.18 -2.75 0.04 0.00 -1.46 0.00 0.00 37.83 33.48 1ne5 s LYS 40 CO -0.05 0.31 0.29 0.00 0.16 0.00 0.00 175.35 176.07