#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie6 s ASP 2 N 0.00 6.37 0.00 1.61 1.01 -1.26 -4.89 116.67 119.50 1ie6 s ASP 2 Ca 0.00 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1ie6 s ASP 2 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1ie6 s ASP 2 CO 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 175.17 173.98 1ie6 s LEU 4 N 0.00 2.10 0.96 0.00 1.43 -1.03 -4.88 118.68 117.25 1ie6 s LEU 4 Ca 0.00 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 51.81 1ie6 s LEU 4 Cb 0.00 -0.03 0.17 0.00 0.03 0.00 0.00 46.19 46.36 1ie6 s LEU 4 CO 0.00 -0.58 1.09 -2.16 0.23 0.00 0.00 176.35 174.93 1ie6 s PRO 5 N -3.92 0.72 -0.27 1.29 0.04 -1.26 -1.09 135.00 130.50 1ie6 s PRO 5 Ca 0.24 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1ie6 s PRO 5 Cb 0.06 -1.73 0.32 0.00 0.04 0.00 0.00 34.50 33.19 1ie6 s PRO 5 CO 0.04 -2.68 1.63 1.58 0.04 0.00 0.00 177.00 177.60 1ie6 n HIS 6 N -4.22 1.64 -1.87 0.56 -0.00 -1.26 -3.91 115.22 106.16 1ie6 n HIS 6 Ca 0.08 -1.44 0.00 0.00 -0.00 0.00 0.00 57.72 56.36 1ie6 n HIS 6 Cb 0.54 -0.72 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 1ie6 n HIS 6 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ie6 n LEU 7 N -0.20 0.00 -4.54 0.27 4.77 -1.06 -4.15 117.00 112.09 1ie6 n LEU 7 Ca 0.32 -0.74 -0.28 0.00 -0.03 0.00 0.00 56.01 55.28 1ie6 n LEU 7 Cb 0.97 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.96 1ie6 n LEU 7 CO 0.35 0.77 -0.45 -0.75 -1.33 0.00 0.00 177.39 175.98 1ie6 s LYS 8 N 0.00 1.96 0.39 3.23 2.20 -1.25 -4.69 119.74 121.57 1ie6 s LYS 8 Ca 0.00 -1.19 -0.25 0.00 -0.36 0.00 0.00 55.97 54.17 1ie6 s LYS 8 Cb 0.00 -2.17 -0.11 0.00 -1.51 0.00 0.00 37.83 34.04 1ie6 s LYS 8 CO 0.00 0.47 0.99 -2.13 -0.36 0.00 0.00 175.35 174.31 1ie6 n ARG 9 N 0.47 1.32 -4.35 4.03 3.00 -1.26 -0.71 116.66 119.16 1ie6 n ARG 9 Ca -0.13 0.47 -0.26 0.00 -0.00 0.00 0.00 57.85 57.93 1ie6 n ARG 9 Cb 0.54 -1.98 -0.12 0.00 0.00 0.00 0.00 32.46 30.90 1ie6 n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ie6 h LYS 11 N 3.73 0.00 -2.93 0.00 1.63 -1.92 -3.41 116.57 113.67 1ie6 h LYS 11 Ca -0.47 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.31 1ie6 h LYS 11 Cb 1.19 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.69 1ie6 h LYS 11 CO 0.43 0.00 0.21 0.00 -3.45 0.00 0.00 179.45 176.64 1ie6 s ALA 12 N -3.16 -1.61 0.24 5.00 0.00 -1.26 -4.88 121.76 116.08 1ie6 s ALA 12 Ca 0.09 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 1ie6 s ALA 12 Cb 0.09 0.83 0.39 0.00 0.00 0.00 0.00 23.12 24.43 1ie6 s ALA 12 CO 0.63 -0.75 1.79 -0.44 0.00 0.00 0.00 175.76 176.99 1ie6 h ASP 13 N 2.06 0.57 -0.98 0.00 3.32 -1.83 -2.20 116.42 117.36 1ie6 h ASP 13 Ca -0.33 0.06 -0.48 0.00 0.02 0.00 0.00 57.03 56.30 1ie6 h ASP 13 Cb 1.30 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 1ie6 h ASP 13 CO 0.38 0.31 0.42 -0.46 -1.72 0.00 0.00 179.24 178.17 1ie6 n ASN 14 N -4.81 6.52 -0.01 6.45 0.23 -1.26 -3.08 115.26 119.30 1ie6 n ASN 14 Ca 0.13 -3.21 0.00 0.00 -0.53 0.00 0.00 54.58 50.98 1ie6 n ASN 14 Cb 0.30 -1.19 -0.02 0.00 -2.08 0.00 0.00 39.78 36.79 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1ie6 n ASP 15 N 0.72 4.40 -4.85 0.53 2.03 -0.83 -4.96 116.55 113.58 1ie6 n ASP 15 Ca 0.46 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.48 1ie6 n ASP 15 Cb 0.55 0.87 0.10 0.00 -0.72 0.00 0.00 41.12 41.93 1ie6 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ie6 n GLY 18 N 1.19 -1.15 2.73 0.00 0.00 -1.26 -4.92 105.19 101.78 1ie6 n GLY 18 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1ie6 n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ie6 n LYS 19 N -1.64 -1.49 -3.42 1.61 4.81 -1.03 -4.87 118.16 112.13 1ie6 n LYS 19 Ca 0.04 0.48 -0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1ie6 n LYS 19 Cb 0.36 -4.65 -0.09 0.00 0.02 0.00 0.00 35.03 30.68 1ie6 n LYS 19 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ie6 n LYS 20 N -0.26 1.62 -2.70 1.64 0.00 -1.25 -4.48 118.16 112.73 1ie6 n LYS 20 Ca -0.02 -4.04 -0.39 0.00 0.00 0.00 0.00 58.31 53.85 1ie6 n LYS 20 Cb 0.41 -1.88 -0.06 0.00 0.00 0.00 0.00 35.03 33.50 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ie6 s LYS 22 N -1.48 2.30 0.33 0.00 -0.14 0.16 -4.71 119.74 116.20 1ie6 s LYS 22 Ca 0.44 0.32 -0.05 0.00 -1.36 0.00 0.00 55.97 55.32 1ie6 s LYS 22 Cb -0.25 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 33.94 1ie6 s LYS 22 CO 0.31 -1.40 0.51 -0.98 -0.76 0.00 0.00 175.35 173.03 1ie6 s ARG 23 N -5.42 1.89 -0.98 1.68 3.03 -1.26 0.34 118.95 118.23 1ie6 s ARG 23 Ca 0.60 -1.65 -0.01 0.00 2.03 0.00 0.00 55.73 56.71 1ie6 s ARG 23 Cb -0.12 0.47 0.32 0.00 -1.03 0.00 0.00 34.95 34.59 1ie6 s ARG 23 CO 0.51 -0.80 1.64 -2.13 -1.13 0.00 0.00 175.30 173.39 1ie6 n ARG 24 N -0.53 4.96 0.00 3.89 3.00 -1.26 -4.85 116.66 121.86 1ie6 n ARG 24 Ca -0.01 -4.67 0.00 0.00 -0.00 0.00 0.00 57.85 53.17 1ie6 n ARG 24 Cb 0.61 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.63 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ie6 n GLY 25 N 0.19 1.21 3.15 5.14 0.00 -1.26 -5.01 105.19 108.61 1ie6 n GLY 25 Ca 0.41 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ie6 n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ie6 n THR 26 N 1.33 -2.46 -0.15 2.61 5.66 -1.26 -4.56 114.28 115.44 1ie6 n THR 26 Ca 0.00 0.54 -0.05 0.00 -3.05 0.00 0.00 64.05 61.48 1ie6 n THR 26 Cb 0.00 -3.17 -0.00 0.00 -1.55 0.00 0.00 70.33 65.61 1ie6 n THR 26 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ie6 n ASN 27 N 1.37 -0.12 0.00 1.09 0.23 -1.26 -4.86 115.26 111.71 1ie6 n ASN 27 Ca -0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1ie6 n ASN 27 Cb 0.43 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ie6 n ALA 28 N 0.01 0.21 0.00 -2.53 0.00 -1.26 -5.04 120.51 111.90 1ie6 n ALA 28 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ie6 n ALA 28 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1ie6 n ALA 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ie6 n GLU 29 N -1.52 0.00 0.00 0.00 0.28 -1.26 -2.57 120.64 115.57 1ie6 n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ie6 n GLU 29 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ie6 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ie6 n LYS 30 N 0.00 0.00 -3.83 3.44 4.01 1.03 -4.21 118.16 118.60 1ie6 n LYS 30 Ca 0.00 0.23 -0.13 0.00 -0.51 0.00 0.00 58.31 57.90 1ie6 n LYS 30 Cb 0.00 -0.67 -0.14 0.00 -0.51 0.00 0.00 35.03 33.71 1ie6 n LYS 30 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1ie6 s ARG 31 N -0.62 0.09 -0.24 1.97 0.52 -0.90 -2.40 118.95 117.38 1ie6 s ARG 31 Ca 0.00 0.15 -0.40 0.00 -0.52 0.00 0.00 55.73 54.96 1ie6 s ARG 31 Cb 0.00 -0.00 -0.16 0.00 0.52 0.00 0.00 34.95 35.31 1ie6 s ARG 31 CO 0.00 -0.04 1.71 0.00 0.02 0.00 0.00 175.30 176.98