#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 2.18 -0.22 -1.24 0.63 -1.26 -4.75 116.66 112.00 1ne5 n ARG 2 Ca 0.00 -3.44 -0.03 0.00 -0.92 0.00 0.00 57.85 53.46 1ne5 n ARG 2 Cb 0.00 -1.89 0.08 0.00 0.45 0.00 0.00 32.46 31.10 1ne5 n ARG 2 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1ne5 h ASP 3 N 1.30 0.58 -1.94 6.15 1.82 -2.02 -3.46 116.42 118.86 1ne5 h ASP 3 Ca 0.22 0.02 -0.37 0.00 -0.39 0.00 0.00 57.03 56.50 1ne5 h ASP 3 Cb 1.41 -0.10 -0.10 0.00 0.68 0.00 0.00 39.33 41.21 1ne5 h ASP 3 CO 0.43 0.39 -0.39 -0.24 -1.61 0.00 0.00 179.24 177.82 1ne5 n SER 4 N -4.76 -5.01 0.00 2.28 2.88 -1.26 -0.44 113.62 107.31 1ne5 n SER 4 Ca 0.07 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1ne5 n SER 4 Cb 0.12 -4.37 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 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 1.41 -0.08 0.00 2.07 -0.47 -3.14 116.25 116.05 1ne5 h VAL 6 Ca 0.00 -2.00 -0.08 0.00 0.82 0.00 0.00 66.70 65.43 1ne5 h VAL 6 Cb 0.20 2.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 1ne5 h VAL 6 CO 0.00 0.58 -0.62 -0.67 0.02 0.00 0.00 177.57 176.88 1ne5 n ASP 7 N -3.85 1.93 0.05 0.57 2.03 -1.25 -4.03 116.55 112.00 1ne5 n ASP 7 Ca -0.02 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.70 1ne5 n ASP 7 Cb 0.60 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -0.85 0.00 -3.76 -0.67 4.81 -1.22 -5.09 118.16 111.39 1ne5 n LYS 8 Ca 0.20 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.38 1ne5 n LYS 8 Cb 0.78 -0.38 -0.03 0.00 0.02 0.00 0.00 35.03 35.42 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 -5.53 6.35 0.56 3.14 0.15 -1.19 -5.10 113.70 112.08 1ne5 s SER 9 Ca 0.00 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1ne5 s SER 9 Cb 0.00 -1.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1ne5 s SER 9 CO 0.00 -0.06 0.87 -0.60 1.20 0.00 0.00 173.24 174.64 1ne5 s ARG 10 N -3.56 3.10 0.26 5.44 3.52 -1.26 -4.75 118.95 121.69 1ne5 s ARG 10 Ca 0.37 0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1ne5 s ARG 10 Cb -0.10 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.96 1ne5 s ARG 10 CO 0.30 -0.56 0.26 0.00 -0.81 0.00 0.00 175.30 174.50 1ne5 n ALA 12 N -0.41 -0.16 -0.19 0.00 0.00 -1.26 -4.51 120.51 113.97 1ne5 n ALA 12 Ca 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1ne5 n ALA 12 Cb 0.64 0.20 0.10 0.00 0.00 0.00 0.00 19.45 20.39 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 0.20 0.00 0.00 3.64 -1.96 -0.37 116.57 118.09 1ne5 h LYS 13 Ca -0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1ne5 h LYS 13 Cb 1.04 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1ne5 h LYS 13 CO 0.30 0.14 0.00 2.48 -2.27 0.00 0.00 179.45 180.09 1ne5 n TYR 14 N -5.17 0.00 0.00 1.91 0.18 -1.26 -0.70 117.16 112.12 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 0.32 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 -0.11 0.09 3.54 -7.48 0.00 -0.94 -4.98 105.19 95.31 1ne5 n GLY 15 Ca 0.00 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.13 3.02 -0.21 1.61 6.14 -1.26 -1.10 117.35 125.42 1ne5 s TYR 16 Ca 0.00 -0.15 -0.02 0.00 0.64 0.00 0.00 57.07 57.54 1ne5 s TYR 16 Cb 0.00 -1.87 0.06 0.00 0.42 0.00 0.00 41.96 40.58 1ne5 s TYR 16 CO 0.00 0.13 0.03 -0.47 0.64 0.00 0.00 175.55 175.88 1ne5 s TYR 17 N -0.12 1.30 0.53 4.97 5.04 -1.26 -4.98 117.35 122.84 1ne5 s TYR 17 Ca 0.02 -1.09 0.36 0.00 -2.44 0.00 0.00 57.07 53.93 1ne5 s TYR 17 Cb -0.13 -1.18 1.54 0.00 0.35 0.00 0.00 41.96 42.54 1ne5 s TYR 17 CO 0.03 -0.67 1.79 0.37 -1.34 0.00 0.00 175.55 175.73 1ne5 h GLN 18 N 8.18 0.02 -0.27 4.97 -0.00 -1.98 0.23 115.11 126.26 1ne5 h GLN 18 Ca -0.16 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.45 1ne5 h GLN 18 Cb 1.10 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 1ne5 h GLN 18 CO 0.36 0.02 0.01 0.93 0.00 0.00 0.00 178.83 180.15 1ne5 h GLU 19 N 0.02 0.47 0.28 1.69 5.08 -1.94 -1.04 114.58 119.14 1ne5 h GLU 19 Ca 0.59 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1ne5 h GLU 19 Cb 2.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.51 1ne5 h GLU 19 CO -0.03 0.61 -0.14 0.00 -1.00 0.00 0.00 179.01 178.46 1ne5 h GLN 21 N -0.76 0.16 -0.22 0.00 3.07 -1.39 -1.41 115.11 114.55 1ne5 h GLN 21 Ca -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 58.65 58.59 1ne5 h GLN 21 Cb 0.50 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 1ne5 h GLN 21 CO 0.06 0.11 -0.27 0.22 0.09 0.00 0.00 178.83 179.04 1ne5 h ASP 22 N 0.16 0.61 0.57 0.06 3.58 -1.10 -2.37 116.42 117.94 1ne5 h ASP 22 Ca 0.22 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1ne5 h ASP 22 Cb 0.64 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1ne5 h ASP 22 CO -0.03 0.99 -0.32 0.00 -2.88 0.00 0.00 179.24 177.00 1ne5 h LYS 25 N -0.77 -0.03 0.00 0.00 3.64 -1.43 0.16 116.57 118.14 1ne5 h LYS 25 Ca -0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ne5 h LYS 25 Cb 0.71 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1ne5 h LYS 25 CO -0.12 -0.02 -0.08 -0.97 -2.27 0.00 0.00 179.45 175.99 1ne5 h ASN 26 N -0.03 0.00 0.41 4.20 -0.73 -0.93 -1.78 115.58 116.72 1ne5 h ASN 26 Ca 0.20 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.20 1ne5 h ASN 26 Cb 0.34 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1ne5 h ASN 26 CO -0.45 0.08 -0.72 0.00 -0.37 0.00 0.00 177.43 175.97 1ne5 h ALA 27 N 1.92 0.69 0.00 1.57 0.00 0.11 -3.46 119.26 120.10 1ne5 h ALA 27 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ne5 h ALA 27 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ne5 h ALA 27 CO 0.01 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1ne5 n GLY 28 N 0.52 0.12 0.00 0.00 0.00 -0.67 -5.10 105.19 100.07 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 -0.10 1.61 8.25 -1.04 -5.00 115.22 118.94 1ne5 n HIS 29 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 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 -1.71 0.64 0.00 0.00 176.34 175.27 1ne5 n ASN 30 N 0.00 1.46 0.00 0.41 4.05 -1.26 -4.26 115.26 115.66 1ne5 n ASN 30 Ca 0.00 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1ne5 n ASN 30 Cb 0.00 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.40 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 1.69 0.98 0.00 8.20 0.00 -1.26 -4.16 105.19 110.64 1ne5 n GLY 31 Ca -0.41 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.78 3.21 -0.02 0.00 -1.26 -0.82 105.19 108.08 1ne5 n GLY 32 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.81 0.95 -0.20 2.61 -1.32 -0.10 -4.66 115.64 110.12 1ne5 s THR 33 Ca 0.00 -1.97 -0.07 0.00 -1.21 0.00 0.00 61.69 58.44 1ne5 s THR 33 Cb 0.00 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 1ne5 s THR 33 CO 0.00 -0.79 0.05 0.00 -2.21 0.00 0.00 174.62 171.68 1ne5 s MET 35 N 0.70 0.71 -1.08 0.00 -1.94 -0.56 -2.22 119.30 114.92 1ne5 s MET 35 Ca 0.03 -1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 52.72 1ne5 s MET 35 Cb -0.13 -1.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 1ne5 s MET 35 CO 0.02 -1.01 0.77 0.34 -0.01 0.00 0.00 175.02 175.13 1ne5 n PHE 36 N 4.74 -2.01 -1.26 -0.03 7.35 0.12 -0.98 117.46 125.40 1ne5 n PHE 36 Ca -0.01 0.54 -0.09 0.00 -0.76 0.00 0.00 57.45 57.13 1ne5 n PHE 36 Cb 0.41 -3.42 -0.04 0.00 0.35 0.00 0.00 39.48 36.78 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 -3.85 0.00 -4.23 -5.13 3.72 -0.15 -4.99 117.46 102.84 1ne5 n PHE 37 Ca -0.10 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.94 1ne5 n PHE 37 Cb 0.59 -2.08 -0.09 0.00 -0.94 0.00 0.00 39.48 36.96 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 -2.50 3.18 -0.53 -1.08 -0.14 -0.15 -4.12 119.74 114.40 1ne5 s LYS 38 Ca 0.00 -0.34 -0.06 0.00 -1.36 0.00 0.00 55.97 54.22 1ne5 s LYS 38 Cb 0.00 -2.92 0.14 0.00 -1.68 0.00 0.00 37.83 33.36 1ne5 s LYS 38 CO 0.00 0.68 0.36 0.00 -0.76 0.00 0.00 175.35 175.64 1ne5 s LYS 40 N 0.76 2.61 0.23 0.00 2.20 -0.90 -2.54 119.74 122.10 1ne5 s LYS 40 Ca 0.11 -1.35 -0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1ne5 s LYS 40 Cb -0.22 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1ne5 s LYS 40 CO -0.03 0.15 0.31 0.00 -0.36 0.00 0.00 175.35 175.42