#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 1.71 0.06 -1.24 1.74 -1.26 -4.96 116.66 112.71 1ne5 n ARG 2 Ca 0.00 -3.58 -0.02 0.00 -0.77 0.00 0.00 57.85 53.47 1ne5 n ARG 2 Cb 0.00 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 29.91 1ne5 n ARG 2 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1ne5 h ASP 3 N 2.90 -0.14 -4.72 0.55 1.82 -2.05 -3.49 116.42 111.29 1ne5 h ASP 3 Ca 0.01 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1ne5 h ASP 3 Cb 1.10 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 41.06 1ne5 h ASP 3 CO 0.59 -0.09 -1.28 -0.24 -1.61 0.00 0.00 179.24 176.60 1ne5 n SER 4 N -2.44 -3.24 0.12 2.28 2.88 -1.26 -4.86 113.62 107.10 1ne5 n SER 4 Ca -0.02 1.39 0.13 0.00 -1.33 0.00 0.00 58.87 59.03 1ne5 n SER 4 Cb 0.06 -4.87 0.46 0.00 -0.75 0.00 0.00 64.21 59.11 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 0.60 -0.21 0.00 2.07 -1.85 0.12 116.25 116.97 1ne5 h VAL 6 Ca 0.00 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1ne5 h VAL 6 Cb 0.53 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1ne5 h VAL 6 CO 0.00 0.03 -0.39 -0.67 0.02 0.00 0.00 177.57 176.57 1ne5 n ASP 7 N -4.39 2.41 0.02 0.57 -0.08 -1.22 -4.12 116.55 109.74 1ne5 n ASP 7 Ca 0.19 -3.86 0.00 0.00 -1.51 0.00 0.00 54.79 49.62 1ne5 n ASP 7 Cb 0.85 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.76 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 -1.07 0.00 -4.00 -0.67 3.00 0.29 -5.06 118.16 110.65 1ne5 n LYS 8 Ca 0.27 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.23 1ne5 n LYS 8 Cb 0.83 -0.25 -0.11 0.00 0.00 0.00 0.00 35.03 35.50 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 -5.09 5.42 0.44 3.14 0.15 -0.51 -5.10 113.70 112.15 1ne5 s SER 9 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ne5 s SER 9 Cb 0.00 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1ne5 s SER 9 CO 0.00 0.12 0.00 -1.14 1.20 0.00 0.00 173.24 173.42 1ne5 n ARG 10 N 3.87 -0.25 -3.75 5.44 3.00 -1.26 -4.53 116.66 119.19 1ne5 n ARG 10 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.70 1ne5 n ARG 10 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1ne5 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ne5 n ALA 12 N -0.62 -0.10 -0.27 0.00 0.00 -1.26 -4.54 120.51 113.72 1ne5 n ALA 12 Ca -0.05 -0.96 0.04 0.00 0.00 0.00 0.00 53.44 52.47 1ne5 n ALA 12 Cb 0.61 0.12 0.18 0.00 0.00 0.00 0.00 19.45 20.36 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 0.59 0.00 0.00 3.64 -1.96 -1.06 116.57 117.77 1ne5 h LYS 13 Ca -0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ne5 h LYS 13 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ne5 h LYS 13 CO 0.17 0.39 0.00 2.48 -2.27 0.00 0.00 179.45 180.22 1ne5 n TYR 14 N -4.88 0.00 0.00 1.91 0.18 -1.26 -0.55 117.16 112.56 1ne5 n TYR 14 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 1ne5 n TYR 14 Cb 0.36 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.32 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 -0.42 0.44 3.89 -7.48 0.00 -0.91 -4.95 105.19 95.77 1ne5 n GLY 15 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 3.58 -0.28 1.61 6.14 -1.26 -1.36 117.35 125.78 1ne5 s TYR 16 Ca 0.00 0.46 0.02 0.00 0.64 0.00 0.00 57.07 58.19 1ne5 s TYR 16 Cb 0.00 -1.90 0.16 0.00 0.42 0.00 0.00 41.96 40.64 1ne5 s TYR 16 CO 0.00 0.68 0.44 -0.47 0.64 0.00 0.00 175.55 176.84 1ne5 s TYR 17 N -1.21 -1.12 0.55 4.97 5.04 -1.26 -4.93 117.35 119.39 1ne5 s TYR 17 Ca 0.23 0.54 0.36 0.00 -2.44 0.00 0.00 57.07 55.76 1ne5 s TYR 17 Cb -0.13 -0.04 1.51 0.00 0.35 0.00 0.00 41.96 43.66 1ne5 s TYR 17 CO 0.13 -0.96 1.77 0.37 -1.34 0.00 0.00 175.55 175.52 1ne5 h GLN 18 N 8.14 0.00 -0.12 4.97 4.15 -1.98 0.13 115.11 130.39 1ne5 h GLN 18 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1ne5 h GLN 18 Cb 1.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 1ne5 h GLN 18 CO 0.25 0.00 0.04 1.49 -1.93 0.00 0.00 178.83 178.68 1ne5 h GLU 19 N 0.00 0.19 0.45 1.69 4.81 -1.96 -0.30 114.58 119.47 1ne5 h GLU 19 Ca 0.53 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1ne5 h GLU 19 Cb 2.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.60 1ne5 h GLU 19 CO -0.01 0.33 -0.21 0.00 -0.73 0.00 0.00 179.01 178.39 1ne5 h GLN 21 N -0.91 0.23 -0.22 0.00 3.07 -1.47 -1.27 115.11 114.54 1ne5 h GLN 21 Ca -0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1ne5 h GLN 21 Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1ne5 h GLN 21 CO 0.10 0.15 -0.10 0.22 0.09 0.00 0.00 178.83 179.29 1ne5 h ASP 22 N 0.24 0.48 0.71 0.06 3.58 -0.95 -2.34 116.42 118.19 1ne5 h ASP 22 Ca 0.28 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1ne5 h ASP 22 Cb 0.79 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1ne5 h ASP 22 CO -0.06 0.78 -0.41 0.00 -2.88 0.00 0.00 179.24 176.67 1ne5 h LYS 25 N -0.30 0.19 0.00 0.00 3.64 -1.38 0.24 116.57 118.96 1ne5 h LYS 25 Ca 0.15 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1ne5 h LYS 25 Cb 0.56 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ne5 h LYS 25 CO -0.54 0.12 -0.28 -0.97 -2.27 0.00 0.00 179.45 175.51 1ne5 h ASN 26 N 0.19 0.00 0.04 4.20 -0.73 0.11 -3.27 115.58 116.12 1ne5 h ASN 26 Ca 0.29 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.37 1ne5 h ASN 26 Cb 0.88 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.48 1ne5 h ASN 26 CO -0.05 0.28 -0.37 0.00 -0.37 0.00 0.00 177.43 176.92 1ne5 h ALA 27 N 1.72 -0.00 0.00 1.57 0.00 0.11 -3.47 119.26 119.18 1ne5 h ALA 27 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ne5 h ALA 27 Cb 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ne5 h ALA 27 CO 0.04 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1ne5 n GLY 28 N 1.33 0.00 0.00 0.00 0.00 -0.81 -5.12 105.19 100.59 1ne5 n GLY 28 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 1.61 8.25 -1.14 -5.01 115.22 118.87 1ne5 n HIS 29 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 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 0.09 0.64 0.00 0.00 176.34 177.07 1ne5 n ASN 30 N 0.00 2.98 0.00 0.41 5.03 -1.26 -4.38 115.26 118.04 1ne5 n ASN 30 Ca 0.00 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1ne5 n ASN 30 Cb 0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ne5 n GLY 31 N 2.89 -0.72 0.00 7.41 0.00 -1.26 -4.33 105.19 109.18 1ne5 n GLY 31 Ca -0.22 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.79 3.11 -0.02 0.00 -1.26 -0.79 105.19 108.01 1ne5 n GLY 32 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.58 0.25 -0.20 2.61 -1.32 -0.16 -4.62 115.64 109.61 1ne5 s THR 33 Ca 0.00 -1.84 -0.10 0.00 -1.21 0.00 0.00 61.69 58.54 1ne5 s THR 33 Cb 0.00 -1.63 -0.05 0.00 -1.51 0.00 0.00 72.50 69.32 1ne5 s THR 33 CO 0.00 -0.90 0.14 0.00 -2.21 0.00 0.00 174.62 171.65 1ne5 s MET 35 N 0.47 0.75 -1.04 0.00 -1.94 -0.28 -2.14 119.30 115.12 1ne5 s MET 35 Ca 0.08 -1.30 -0.16 0.00 -1.71 0.00 0.00 55.69 52.60 1ne5 s MET 35 Cb -0.11 -1.79 -0.00 0.00 2.01 0.00 0.00 34.83 34.93 1ne5 s MET 35 CO -0.01 -1.09 0.75 0.34 -0.01 0.00 0.00 175.02 175.00 1ne5 n PHE 36 N 4.36 -2.05 -1.35 -0.03 7.35 0.29 -0.99 117.46 125.03 1ne5 n PHE 36 Ca 0.04 0.59 -0.12 0.00 -0.76 0.00 0.00 57.45 57.19 1ne5 n PHE 36 Cb 0.39 -3.40 -0.05 0.00 0.35 0.00 0.00 39.48 36.77 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 -3.65 0.00 -4.02 -5.13 3.72 -0.40 -4.97 117.46 103.01 1ne5 n PHE 37 Ca -0.12 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.94 1ne5 n PHE 37 Cb 0.59 -2.53 -0.14 0.00 -0.94 0.00 0.00 39.48 36.46 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 -2.90 3.43 -0.64 -1.08 1.02 -0.16 -4.35 119.74 115.06 1ne5 s LYS 38 Ca 0.00 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.17 1ne5 s LYS 38 Cb 0.00 -2.99 0.08 0.00 -0.52 0.00 0.00 37.83 34.40 1ne5 s LYS 38 CO 0.00 -0.12 0.89 0.00 -0.92 0.00 0.00 175.35 175.20 1ne5 s LYS 40 N 3.68 2.78 0.25 0.00 2.20 -0.86 -3.09 119.74 124.69 1ne5 s LYS 40 Ca 0.19 -1.20 -0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1ne5 s LYS 40 Cb -0.19 -2.48 0.05 0.00 -1.51 0.00 0.00 37.83 33.70 1ne5 s LYS 40 CO 0.09 0.26 0.35 0.00 -0.36 0.00 0.00 175.35 175.69