#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 0.01 0.00 -1.24 6.06 -1.26 -5.11 118.95 117.42 1ne5 s ARG 2 Ca 0.00 0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.25 1ne5 s ARG 2 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.02 1ne5 s ARG 2 CO 0.00 -0.02 0.00 -0.40 -2.50 0.00 0.00 175.30 172.38 1ne5 n ASP 3 N 5.45 0.00 -3.14 -2.12 5.68 -1.26 -5.02 116.55 116.13 1ne5 n ASP 3 Ca -0.08 0.05 -0.06 0.00 -0.50 0.00 0.00 54.79 54.20 1ne5 n ASP 3 Cb 0.55 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1ne5 n ASP 3 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ne5 n SER 4 N -0.86 -7.34 0.25 -1.12 2.88 -1.26 -4.86 113.62 101.31 1ne5 n SER 4 Ca 0.00 -0.10 0.17 0.00 -1.33 0.00 0.00 58.87 57.61 1ne5 n SER 4 Cb 0.00 -4.70 0.80 0.00 -0.75 0.00 0.00 64.21 59.57 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 0.62 -0.27 0.00 2.07 -1.83 -0.75 116.25 116.09 1ne5 h VAL 6 Ca 0.00 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 67.18 1ne5 h VAL 6 Cb 0.21 0.22 -0.22 0.00 -1.52 0.00 0.00 31.29 29.97 1ne5 h VAL 6 CO 0.00 0.07 -0.73 -0.67 0.02 0.00 0.00 177.57 176.25 1ne5 n ASP 7 N -4.51 2.59 0.00 0.57 -0.08 -1.09 -4.05 116.55 109.98 1ne5 n ASP 7 Ca 0.21 -3.42 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1ne5 n ASP 7 Cb 0.78 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.72 0.00 -3.72 -0.67 4.81 -0.44 -5.05 118.16 112.37 1ne5 n LYS 8 Ca 0.24 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.31 1ne5 n LYS 8 Cb 0.85 -0.32 -0.12 0.00 0.02 0.00 0.00 35.03 35.46 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 -4.38 5.29 0.79 3.14 0.15 -0.42 -5.06 113.70 113.22 1ne5 s SER 9 Ca 0.00 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 1ne5 s SER 9 Cb 0.00 -1.96 0.07 0.00 -1.71 0.00 0.00 66.02 62.43 1ne5 s SER 9 CO 0.00 -0.05 1.18 -0.60 1.20 0.00 0.00 173.24 174.97 1ne5 s ARG 10 N 1.63 1.80 0.29 5.44 6.06 -1.26 -4.48 118.95 128.43 1ne5 s ARG 10 Ca 0.06 1.64 0.03 0.00 -2.50 0.00 0.00 55.73 54.96 1ne5 s ARG 10 Cb -0.15 -1.81 -0.04 0.00 0.06 0.00 0.00 34.95 33.01 1ne5 s ARG 10 CO 0.05 -2.07 0.15 0.00 -2.50 0.00 0.00 175.30 170.93 1ne5 n ALA 12 N -0.54 -0.11 -0.21 0.00 0.00 -1.26 -4.42 120.51 113.97 1ne5 n ALA 12 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 53.44 52.53 1ne5 n ALA 12 Cb 0.65 0.11 0.12 0.00 0.00 0.00 0.00 19.45 20.33 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 0.22 0.00 0.00 3.64 -1.97 -0.32 116.57 118.14 1ne5 h LYS 13 Ca -0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ne5 h LYS 13 Cb 0.60 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ne5 h LYS 13 CO 0.17 0.14 0.00 2.48 -2.27 0.00 0.00 179.45 179.97 1ne5 n TYR 14 N -5.17 0.00 0.00 1.91 0.18 -1.26 -0.89 117.16 111.93 1ne5 n TYR 14 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1ne5 n TYR 14 Cb 0.35 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 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 -0.32 0.15 3.73 -7.48 0.00 -0.96 -4.97 105.19 95.34 1ne5 n GLY 15 Ca 0.00 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 3.37 -0.15 1.61 6.14 -1.26 -1.03 117.35 126.03 1ne5 s TYR 16 Ca 0.00 0.27 -0.04 0.00 0.64 0.00 0.00 57.07 57.95 1ne5 s TYR 16 Cb 0.00 -2.01 0.05 0.00 0.42 0.00 0.00 41.96 40.42 1ne5 s TYR 16 CO 0.00 0.39 0.06 -0.47 0.64 0.00 0.00 175.55 176.18 1ne5 s TYR 17 N -0.21 0.45 0.40 4.97 5.04 -1.26 -4.97 117.35 121.77 1ne5 s TYR 17 Ca 0.09 -0.36 0.17 0.00 -2.44 0.00 0.00 57.07 54.53 1ne5 s TYR 17 Cb -0.12 -0.76 1.06 0.00 0.35 0.00 0.00 41.96 42.49 1ne5 s TYR 17 CO 0.01 -0.47 1.82 0.37 -1.34 0.00 0.00 175.55 175.94 1ne5 h GLN 18 N 8.36 0.43 0.69 4.97 5.75 -1.99 -1.73 115.11 131.59 1ne5 h GLN 18 Ca -0.15 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1ne5 h GLN 18 Cb 1.13 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 29.60 1ne5 h GLN 18 CO 0.28 0.28 -0.33 0.93 -2.65 0.00 0.00 178.83 177.34 1ne5 h GLU 19 N 0.44 -0.89 -0.19 1.69 5.08 -1.95 -1.11 114.58 117.64 1ne5 h GLU 19 Ca 0.53 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.99 1ne5 h GLU 19 Cb 1.28 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 1ne5 h GLU 19 CO -0.24 -0.58 -0.10 0.00 -1.00 0.00 0.00 179.01 177.09 1ne5 h GLN 21 N -0.08 -0.39 -0.92 0.00 1.08 -1.31 -1.30 115.11 112.18 1ne5 h GLN 21 Ca 0.11 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1ne5 h GLN 21 Cb 0.24 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1ne5 h GLN 21 CO -0.24 -0.26 0.60 -0.44 -0.95 0.00 0.00 178.83 177.54 1ne5 h ASP 22 N -0.40 0.98 0.73 1.46 5.19 -0.92 -2.37 116.42 121.09 1ne5 h ASP 22 Ca 0.08 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1ne5 h ASP 22 Cb 0.53 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1ne5 h ASP 22 CO -0.31 0.66 -0.44 0.00 -3.12 0.00 0.00 179.24 176.03 1ne5 h LYS 25 N -0.83 0.33 0.00 0.00 2.10 -1.47 1.02 116.57 117.72 1ne5 h LYS 25 Ca -0.04 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.50 1ne5 h LYS 25 Cb 0.76 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1ne5 h LYS 25 CO -0.15 0.22 -0.46 -0.97 -2.00 0.00 0.00 179.45 176.09 1ne5 h ASN 26 N 0.33 0.00 0.26 7.07 -0.73 -0.51 -3.08 115.58 118.93 1ne5 h ASN 26 Ca 0.62 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.66 1ne5 h ASN 26 Cb 1.68 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.26 1ne5 h ASN 26 CO -0.31 0.46 -0.52 0.00 -0.37 0.00 0.00 177.43 176.69 1ne5 h ALA 27 N 1.54 0.92 0.00 1.57 0.00 0.28 -3.46 119.26 120.12 1ne5 h ALA 27 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ne5 h ALA 27 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ne5 h ALA 27 CO 0.06 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ne5 n GLY 28 N 0.09 0.35 0.00 0.00 0.00 -0.78 -5.09 105.19 99.76 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 -0.05 1.61 8.25 -1.14 -4.99 115.22 118.89 1ne5 n HIS 29 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 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 0.09 0.64 0.00 0.00 176.34 177.07 1ne5 n ASN 30 N 0.00 1.28 0.00 0.41 4.13 -1.26 -4.28 115.26 115.54 1ne5 n ASN 30 Ca 0.00 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1ne5 n ASN 30 Cb 0.00 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1ne5 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ne5 n GLY 31 N 2.51 1.25 0.00 7.41 0.00 -1.26 -3.83 105.19 111.27 1ne5 n GLY 31 Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 2.16 3.26 -0.02 0.00 -1.26 -0.75 105.19 108.58 1ne5 n GLY 32 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.70 0.11 -0.20 2.61 -1.32 -0.13 -4.84 115.64 110.16 1ne5 s THR 33 Ca 0.00 -1.39 -0.11 0.00 -1.21 0.00 0.00 61.69 58.99 1ne5 s THR 33 Cb 0.00 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.28 1ne5 s THR 33 CO 0.00 -0.48 0.17 0.00 -2.21 0.00 0.00 174.62 172.10 1ne5 s MET 35 N 0.53 0.64 -0.88 0.00 -1.94 -0.30 -2.26 119.30 115.08 1ne5 s MET 35 Ca 0.09 -1.14 -0.06 0.00 -1.71 0.00 0.00 55.69 52.88 1ne5 s MET 35 Cb -0.12 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1ne5 s MET 35 CO 0.00 -1.07 0.67 0.34 -0.01 0.00 0.00 175.02 174.95 1ne5 n PHE 36 N 4.57 -2.23 -1.52 -0.03 7.35 -0.06 -0.93 117.46 124.60 1ne5 n PHE 36 Ca 0.02 0.80 -0.18 0.00 -0.76 0.00 0.00 57.45 57.33 1ne5 n PHE 36 Cb 0.40 -3.24 -0.08 0.00 0.35 0.00 0.00 39.48 36.91 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 -2.82 -0.03 -4.27 -5.13 3.72 -0.13 -4.95 117.46 103.86 1ne5 n PHE 37 Ca -0.19 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.88 1ne5 n PHE 37 Cb 0.62 -3.26 -0.15 0.00 -0.94 0.00 0.00 39.48 35.74 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 -3.53 3.24 -0.62 -1.08 1.02 -0.11 -4.13 119.74 114.53 1ne5 s LYS 38 Ca 0.00 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1ne5 s LYS 38 Cb 0.00 -2.74 0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1ne5 s LYS 38 CO 0.00 -0.08 0.88 0.00 -0.92 0.00 0.00 175.35 175.24 1ne5 s LYS 40 N 3.66 2.94 0.11 0.00 2.47 -0.87 -2.81 119.74 125.24 1ne5 s LYS 40 Ca 0.20 -0.96 0.02 0.00 -1.56 0.00 0.00 55.97 53.67 1ne5 s LYS 40 Cb -0.18 -2.62 0.02 0.00 -1.46 0.00 0.00 37.83 33.59 1ne5 s LYS 40 CO 0.10 0.44 0.14 0.00 0.16 0.00 0.00 175.35 176.19