#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 -2.57 0.01 -1.24 0.00 -1.26 -4.94 116.66 106.65 1ne5 n ARG 2 Ca 0.00 2.11 -0.00 0.00 -0.00 0.00 0.00 57.85 59.96 1ne5 n ARG 2 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 32.46 30.11 1ne5 n ARG 2 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1ne5 h ASP 3 N 2.06 -0.03 -5.09 6.15 1.82 -2.06 -3.49 116.42 115.78 1ne5 h ASP 3 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ne5 h ASP 3 Cb 0.00 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1ne5 h ASP 3 CO 0.00 -0.01 -1.11 -0.24 -1.61 0.00 0.00 179.24 176.26 1ne5 n SER 4 N -2.24 -6.51 0.29 2.28 2.88 -1.26 -4.56 113.62 104.49 1ne5 n SER 4 Ca -0.00 1.42 0.15 0.00 -1.33 0.00 0.00 58.87 59.11 1ne5 n SER 4 Cb 0.01 -5.32 0.91 0.00 -0.75 0.00 0.00 64.21 59.06 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 0.38 0.00 0.00 2.07 -1.81 -1.42 116.25 115.48 1ne5 h VAL 6 Ca 0.01 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1ne5 h VAL 6 Cb 0.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ne5 h VAL 6 CO -0.00 0.00 -1.38 -0.67 0.02 0.00 0.00 177.57 175.54 1ne5 n ASP 7 N -4.07 3.54 0.05 0.57 -0.08 -0.84 -3.58 116.55 112.13 1ne5 n ASP 7 Ca 0.23 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.49 1ne5 n ASP 7 Cb 1.18 0.82 -0.01 0.00 2.34 0.00 0.00 41.12 45.45 1ne5 n ASP 7 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ne5 h LYS 8 N 0.00 -0.12 -7.32 -0.67 3.11 -0.86 -3.45 116.57 107.25 1ne5 h LYS 8 Ca -0.12 0.01 -0.51 0.00 -2.81 0.00 0.00 60.65 57.22 1ne5 h LYS 8 Cb 1.07 0.03 0.07 0.00 -1.00 0.00 0.00 32.23 32.40 1ne5 h LYS 8 CO 0.01 -0.08 0.39 0.45 -2.81 0.00 0.00 179.45 177.40 1ne5 s SER 9 N -2.68 5.81 0.03 4.20 0.15 -0.62 -5.06 113.70 115.53 1ne5 s SER 9 Ca -0.02 1.56 -0.03 0.00 0.70 0.00 0.00 55.95 58.16 1ne5 s SER 9 Cb 0.00 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1ne5 s SER 9 CO 0.06 -1.15 0.22 -0.60 1.20 0.00 0.00 173.24 172.96 1ne5 s ARG 10 N -4.95 3.48 0.26 5.44 3.52 -1.26 -4.69 118.95 120.74 1ne5 s ARG 10 Ca 0.57 -0.30 0.10 0.00 -0.13 0.00 0.00 55.73 55.97 1ne5 s ARG 10 Cb -0.13 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 1ne5 s ARG 10 CO 0.52 0.64 -0.15 0.00 -0.81 0.00 0.00 175.30 175.49 1ne5 n ALA 12 N -0.55 -0.07 -0.17 0.00 0.00 -1.26 -4.24 120.51 114.22 1ne5 n ALA 12 Ca -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 53.44 52.37 1ne5 n ALA 12 Cb 0.61 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.09 0.00 0.00 3.64 -1.94 -0.12 116.57 118.05 1ne5 h LYS 13 Ca -0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1ne5 h LYS 13 Cb 0.62 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ne5 h LYS 13 CO 0.17 -0.06 0.00 2.48 -2.27 0.00 0.00 179.45 179.77 1ne5 n TYR 14 N -5.41 0.00 0.00 1.91 0.18 -1.26 -1.50 117.16 111.08 1ne5 n TYR 14 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 1ne5 n TYR 14 Cb 0.32 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.28 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 -0.14 0.16 3.89 -7.48 0.00 -0.80 -4.98 105.19 95.83 1ne5 n GLY 15 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.35 3.46 -0.30 1.61 6.14 -1.26 -1.57 117.35 125.07 1ne5 s TYR 16 Ca 0.00 0.76 -0.05 0.00 0.64 0.00 0.00 57.07 58.42 1ne5 s TYR 16 Cb 0.00 -2.19 0.17 0.00 0.42 0.00 0.00 41.96 40.36 1ne5 s TYR 16 CO 0.00 0.20 0.66 -0.47 0.64 0.00 0.00 175.55 176.58 1ne5 s TYR 17 N -1.99 -1.43 0.56 4.97 5.04 -1.26 -4.89 117.35 118.36 1ne5 s TYR 17 Ca 0.46 1.81 0.28 0.00 -2.44 0.00 0.00 57.07 57.18 1ne5 s TYR 17 Cb -0.11 0.61 1.48 0.00 0.35 0.00 0.00 41.96 44.29 1ne5 s TYR 17 CO 0.26 -0.76 1.96 0.37 -1.34 0.00 0.00 175.55 176.04 1ne5 h GLN 18 N 7.98 0.00 0.39 4.97 4.15 -1.99 -2.03 115.11 128.58 1ne5 h GLN 18 Ca -0.21 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1ne5 h GLN 18 Cb 1.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1ne5 h GLN 18 CO 0.18 0.00 -0.19 1.49 -1.93 0.00 0.00 178.83 178.39 1ne5 h GLU 19 N 0.00 -0.50 -0.55 1.69 4.81 -1.95 -0.97 114.58 117.11 1ne5 h GLU 19 Ca 0.24 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1ne5 h GLU 19 Cb 1.11 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1ne5 h GLU 19 CO -0.00 -0.34 0.10 0.00 -0.73 0.00 0.00 179.01 178.04 1ne5 h GLN 21 N 0.23 -0.46 -0.92 0.00 1.08 -1.41 -0.99 115.11 112.65 1ne5 h GLN 21 Ca 0.28 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.54 1ne5 h GLN 21 Cb 0.40 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1ne5 h GLN 21 CO -0.37 -0.31 0.60 -0.44 -0.95 0.00 0.00 178.83 177.36 1ne5 h ASP 22 N -0.48 1.01 0.62 1.46 5.19 -0.61 -2.34 116.42 121.26 1ne5 h ASP 22 Ca 0.06 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1ne5 h ASP 22 Cb 0.58 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1ne5 h ASP 22 CO -0.29 0.70 -0.37 0.00 -3.12 0.00 0.00 179.24 176.15 1ne5 h LYS 25 N -0.72 0.36 0.00 0.00 2.10 -1.47 0.90 116.57 117.74 1ne5 h LYS 25 Ca -0.04 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 1ne5 h LYS 25 Cb 0.64 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1ne5 h LYS 25 CO -0.10 0.24 -0.33 -0.97 -2.00 0.00 0.00 179.45 176.30 1ne5 h ASN 26 N 0.37 0.00 0.57 7.07 -0.73 -0.80 -3.12 115.58 118.94 1ne5 h ASN 26 Ca 0.65 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.66 1ne5 h ASN 26 Cb 1.63 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.21 1ne5 h ASN 26 CO -0.37 0.33 -0.72 0.00 -0.37 0.00 0.00 177.43 176.29 1ne5 h ALA 27 N 1.67 0.75 0.00 1.57 0.00 0.26 -3.46 119.26 120.06 1ne5 h ALA 27 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ne5 h ALA 27 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ne5 h ALA 27 CO 0.04 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1ne5 n GLY 28 N 0.53 0.36 0.00 0.00 0.00 -0.72 -5.10 105.19 100.26 1ne5 n GLY 28 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.08 1.61 8.25 -1.15 -5.01 115.22 118.84 1ne5 n HIS 29 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1ne5 n HIS 29 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 1.31 0.00 0.41 4.05 -1.26 -4.22 115.26 115.54 1ne5 n ASN 30 Ca 0.00 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.25 1ne5 n ASN 30 Cb 0.00 -0.53 0.00 0.00 1.23 0.00 0.00 39.78 40.48 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 1.95 -0.76 0.00 8.20 0.00 -1.26 -3.94 105.19 109.38 1ne5 n GLY 31 Ca -0.30 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.45 3.29 -0.02 0.00 -1.26 -0.78 105.19 107.87 1ne5 n GLY 32 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.03 0.09 -0.34 2.61 -1.32 -0.13 -4.81 115.64 110.71 1ne5 s THR 33 Ca 0.00 -0.71 -0.18 0.00 -1.21 0.00 0.00 61.69 59.59 1ne5 s THR 33 Cb 0.00 -1.17 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1ne5 s THR 33 CO 0.00 -0.39 0.50 0.00 -2.21 0.00 0.00 174.62 172.52 1ne5 s MET 35 N 2.37 1.93 -0.96 0.00 -1.94 -0.06 -1.91 119.30 118.73 1ne5 s MET 35 Ca 0.18 -1.68 -0.11 0.00 -1.71 0.00 0.00 55.69 52.37 1ne5 s MET 35 Cb -0.15 -3.30 -0.00 0.00 2.01 0.00 0.00 34.83 33.38 1ne5 s MET 35 CO 0.13 -0.88 0.71 0.34 -0.01 0.00 0.00 175.02 175.30 1ne5 n PHE 36 N 4.47 -2.15 -1.45 -0.03 7.35 -0.56 -1.12 117.46 123.97 1ne5 n PHE 36 Ca -0.04 0.69 -0.15 0.00 -0.76 0.00 0.00 57.45 57.19 1ne5 n PHE 36 Cb 0.42 -3.33 -0.07 0.00 0.35 0.00 0.00 39.48 36.85 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 -3.24 0.00 -4.83 -5.13 3.72 -0.06 -4.96 117.46 102.96 1ne5 n PHE 37 Ca -0.14 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.94 1ne5 n PHE 37 Cb 0.60 -3.06 -0.13 0.00 -0.94 0.00 0.00 39.48 35.95 1ne5 n PHE 37 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1ne5 s LYS 38 N -3.29 2.29 -0.59 -1.08 2.20 -0.27 -3.87 119.74 115.13 1ne5 s LYS 38 Ca 0.00 -0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 54.63 1ne5 s LYS 38 Cb 0.00 -2.27 0.15 0.00 -1.51 0.00 0.00 37.83 34.20 1ne5 s LYS 38 CO 0.00 0.58 0.53 0.00 -0.36 0.00 0.00 175.35 176.10 1ne5 s LYS 40 N 1.27 3.08 0.14 0.00 2.20 -0.87 -2.65 119.74 122.92 1ne5 s LYS 40 Ca 0.06 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1ne5 s LYS 40 Cb -0.26 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1ne5 s LYS 40 CO 0.00 0.53 0.19 0.00 -0.36 0.00 0.00 175.35 175.71