#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 2.45 0.00 -1.24 1.74 -1.26 -4.71 116.66 113.64 1ne5 n ARG 2 Ca 0.00 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1ne5 n ARG 2 Cb 0.00 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 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 -0.80 0.00 0.00 0.55 2.03 -1.26 -5.04 116.55 112.03 1ne5 n ASP 3 Ca 0.57 0.82 0.00 0.00 0.52 0.00 0.00 54.79 56.71 1ne5 n ASP 3 Cb 0.89 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1ne5 n ASP 3 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ne5 n SER 4 N -1.52 0.00 0.00 1.67 2.88 -1.26 -5.06 113.62 110.33 1ne5 n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ne5 n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.15 -0.47 0.00 2.07 -1.86 0.72 116.25 116.87 1ne5 h VAL 6 Ca 0.00 -0.03 -0.34 0.00 0.82 0.00 0.00 66.70 67.15 1ne5 h VAL 6 Cb 0.00 0.04 -0.26 0.00 -1.52 0.00 0.00 31.29 29.56 1ne5 h VAL 6 CO 0.00 0.02 -0.63 -0.67 0.02 0.00 0.00 177.57 176.31 1ne5 n ASP 7 N -4.64 3.71 0.03 0.57 2.03 -1.26 -4.22 116.55 112.77 1ne5 n ASP 7 Ca 0.36 -3.81 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1ne5 n ASP 7 Cb 1.42 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.88 0.00 -4.00 -0.67 4.81 0.24 -5.09 118.16 112.57 1ne5 n LYS 8 Ca 0.35 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.49 1ne5 n LYS 8 Cb 0.86 -0.13 -0.05 0.00 0.02 0.00 0.00 35.03 35.73 1ne5 n LYS 8 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ne5 s SER 9 N -5.07 5.87 0.58 3.14 0.15 -0.42 -5.08 113.70 112.87 1ne5 s SER 9 Ca 0.00 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 1ne5 s SER 9 Cb 0.00 -1.67 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1ne5 s SER 9 CO 0.00 0.16 0.87 -0.60 1.20 0.00 0.00 173.24 174.88 1ne5 s ARG 10 N -2.51 2.92 0.22 5.44 3.52 -1.26 -4.63 118.95 122.65 1ne5 s ARG 10 Ca 0.32 -0.08 -0.05 0.00 -0.13 0.00 0.00 55.73 55.79 1ne5 s ARG 10 Cb -0.12 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 1ne5 s ARG 10 CO 0.25 -0.66 0.26 0.00 -0.81 0.00 0.00 175.30 174.34 1ne5 n ALA 12 N -0.31 -0.07 -0.20 0.00 0.00 -1.26 -4.45 120.51 114.21 1ne5 n ALA 12 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ne5 n ALA 12 Cb 0.64 0.07 0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.96 -0.32 116.57 118.01 1ne5 h LYS 13 Ca -0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ne5 h LYS 13 Cb 0.38 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ne5 h LYS 13 CO 0.11 0.06 0.00 2.48 -2.27 0.00 0.00 179.45 179.82 1ne5 n TYR 14 N -5.31 0.00 0.00 1.91 0.18 -1.26 0.67 117.16 113.35 1ne5 n TYR 14 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 1ne5 n TYR 14 Cb 0.34 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 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 -0.35 0.53 3.66 -7.48 0.00 -0.90 -4.91 105.19 95.75 1ne5 n GLY 15 Ca 0.00 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 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 3.28 -0.28 1.61 6.14 -1.26 -1.00 117.35 125.85 1ne5 s TYR 16 Ca 0.00 0.13 -0.03 0.00 0.64 0.00 0.00 57.07 57.81 1ne5 s TYR 16 Cb 0.00 -2.06 0.09 0.00 0.42 0.00 0.00 41.96 40.41 1ne5 s TYR 16 CO 0.00 0.22 0.11 -0.47 0.64 0.00 0.00 175.55 176.05 1ne5 s TYR 17 N 0.22 0.77 0.47 4.97 5.04 -1.26 -4.97 117.35 122.59 1ne5 s TYR 17 Ca 0.05 -1.09 0.34 0.00 -2.44 0.00 0.00 57.07 53.93 1ne5 s TYR 17 Cb -0.12 -1.13 1.48 0.00 0.35 0.00 0.00 41.96 42.54 1ne5 s TYR 17 CO 0.00 -0.80 1.64 0.37 -1.34 0.00 0.00 175.55 175.42 1ne5 h GLN 18 N 8.30 0.08 0.75 4.97 5.75 -1.97 0.50 115.11 133.49 1ne5 h GLN 18 Ca -0.17 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1ne5 h GLN 18 Cb 1.03 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1ne5 h GLN 18 CO 0.43 0.05 -0.39 0.93 -2.65 0.00 0.00 178.83 177.20 1ne5 h GLU 19 N 0.08 -1.00 -0.70 1.69 5.08 -1.94 -1.15 114.58 116.63 1ne5 h GLU 19 Ca 0.80 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 59.26 1ne5 h GLU 19 Cb 2.71 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 32.15 1ne5 h GLU 19 CO -0.29 -0.67 0.46 0.00 -1.00 0.00 0.00 179.01 177.51 1ne5 h GLN 21 N 0.85 -0.86 -0.69 0.00 1.08 -1.08 -1.93 115.11 112.47 1ne5 h GLN 21 Ca 0.28 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.63 1ne5 h GLN 21 Cb 0.06 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1ne5 h GLN 21 CO -0.08 -0.58 0.46 -0.44 -0.95 0.00 0.00 178.83 177.24 1ne5 h ASP 22 N -0.90 0.53 0.75 1.46 3.32 -0.98 -1.93 116.42 118.67 1ne5 h ASP 22 Ca -0.09 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1ne5 h ASP 22 Cb 0.69 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1ne5 h ASP 22 CO 0.14 0.32 -0.36 0.00 -1.72 0.00 0.00 179.24 177.62 1ne5 h LYS 25 N -0.91 0.12 0.00 0.00 2.10 -1.46 0.93 116.57 117.36 1ne5 h LYS 25 Ca -0.09 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.50 1ne5 h LYS 25 Cb 0.71 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 1ne5 h LYS 25 CO 0.11 0.08 -0.28 -0.97 -2.00 0.00 0.00 179.45 176.39 1ne5 h ASN 26 N 0.13 0.00 0.62 7.07 -0.73 -1.31 -2.85 115.58 118.51 1ne5 h ASN 26 Ca 0.52 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.59 1ne5 h ASN 26 Cb 1.03 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.60 1ne5 h ASN 26 CO -0.72 0.28 -0.50 0.00 -0.37 0.00 0.00 177.43 176.12 1ne5 h ALA 27 N 1.72 1.07 0.00 1.57 0.00 0.26 -3.46 119.26 120.42 1ne5 h ALA 27 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ne5 h ALA 27 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ne5 h ALA 27 CO 0.04 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1ne5 n GLY 28 N 0.09 0.64 0.00 0.00 0.00 -0.59 -5.08 105.19 100.25 1ne5 n GLY 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.11 -5.01 115.22 118.89 1ne5 n HIS 29 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1ne5 n HIS 29 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 1.74 -0.23 0.41 5.15 -1.26 -4.25 115.26 116.82 1ne5 n ASN 30 Ca 0.00 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1ne5 n ASN 30 Cb 0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ne5 n GLY 31 N 1.78 2.27 3.70 8.20 0.00 -1.26 -3.92 105.19 115.96 1ne5 n GLY 31 Ca -0.19 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1ne5 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ne5 s GLY 32 N -0.52 0.65 0.24 -0.02 0.00 -1.26 -0.82 107.32 105.58 1ne5 s GLY 32 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.84 1ne5 s GLY 32 CO 0.00 -0.51 -0.03 -1.08 0.00 0.00 0.00 173.10 171.48 1ne5 s THR 33 N -2.89 1.27 -0.16 0.90 -1.32 -0.11 -4.65 115.64 108.68 1ne5 s THR 33 Ca 0.20 -2.07 -0.06 0.00 -1.21 0.00 0.00 61.69 58.55 1ne5 s THR 33 Cb -0.03 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1ne5 s THR 33 CO 0.13 -0.35 0.05 0.00 -2.21 0.00 0.00 174.62 172.24 1ne5 s MET 35 N 0.08 0.49 -0.96 0.00 -1.94 -0.63 -2.11 119.30 114.23 1ne5 s MET 35 Ca 0.05 -0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 52.93 1ne5 s MET 35 Cb -0.12 -1.49 -0.00 0.00 2.01 0.00 0.00 34.83 35.23 1ne5 s MET 35 CO 0.01 -1.07 0.71 0.34 -0.01 0.00 0.00 175.02 175.00 1ne5 n PHE 36 N 4.71 -2.15 -1.50 -0.03 7.35 0.21 -0.99 117.46 125.06 1ne5 n PHE 36 Ca 0.01 0.69 -0.17 0.00 -0.76 0.00 0.00 57.45 57.21 1ne5 n PHE 36 Cb 0.40 -3.34 -0.07 0.00 0.35 0.00 0.00 39.48 36.82 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 -3.25 0.00 -4.65 -5.13 3.72 -0.13 -4.96 117.46 103.07 1ne5 n PHE 37 Ca -0.14 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.92 1ne5 n PHE 37 Cb 0.60 -3.21 -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 -3.46 3.31 -0.42 -1.08 1.02 -0.16 -4.26 119.74 114.70 1ne5 s LYS 38 Ca 0.00 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 1ne5 s LYS 38 Cb 0.00 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1ne5 s LYS 38 CO 0.00 0.32 0.71 0.00 -0.92 0.00 0.00 175.35 175.46 1ne5 s LYS 40 N 2.99 1.74 0.02 0.00 2.47 -0.84 -3.39 119.74 122.73 1ne5 s LYS 40 Ca 0.26 -1.87 0.00 0.00 -1.56 0.00 0.00 55.97 52.81 1ne5 s LYS 40 Cb -0.13 -1.62 0.00 0.00 -1.46 0.00 0.00 37.83 34.62 1ne5 s LYS 40 CO 0.19 0.16 0.03 0.00 0.16 0.00 0.00 175.35 175.89