#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie6 n ASP 2 N 0.00 0.00 -4.70 1.61 2.03 -1.26 -5.18 116.55 109.05 1ie6 n ASP 2 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1ie6 n ASP 2 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1ie6 n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ie6 s LEU 4 N -3.83 4.32 1.26 0.00 1.43 0.45 -4.77 118.68 117.53 1ie6 s LEU 4 Ca 0.33 0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 1ie6 s LEU 4 Cb 0.06 -2.89 0.31 0.00 0.03 0.00 0.00 46.19 43.70 1ie6 s LEU 4 CO 0.18 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 1ie6 s PRO 5 N -3.17 -1.65 -0.24 1.29 0.04 -1.26 0.28 135.00 130.29 1ie6 s PRO 5 Ca 0.34 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1ie6 s PRO 5 Cb -0.11 -1.55 0.24 0.00 0.04 0.00 0.00 34.50 33.12 1ie6 s PRO 5 CO 0.28 -3.99 1.71 1.58 0.04 0.00 0.00 177.00 176.62 1ie6 n HIS 6 N -4.95 1.37 -1.92 0.56 -0.00 -1.26 -3.65 115.22 105.37 1ie6 n HIS 6 Ca 0.14 -1.48 0.00 0.00 -0.00 0.00 0.00 57.72 56.38 1ie6 n HIS 6 Cb 0.60 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 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 0.12 0.00 -4.86 0.27 4.77 -1.11 -4.30 117.00 111.89 1ie6 n LEU 7 Ca 0.27 -0.71 -0.28 0.00 -0.03 0.00 0.00 56.01 55.26 1ie6 n LEU 7 Cb 0.79 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1ie6 n LEU 7 CO 0.31 0.73 -0.04 -0.54 -1.33 0.00 0.00 177.39 176.51 1ie6 s LYS 8 N 0.00 2.24 0.58 3.23 1.02 -1.24 -4.68 119.74 120.89 1ie6 s LYS 8 Ca 0.00 -2.09 -0.15 0.00 0.02 0.00 0.00 55.97 53.75 1ie6 s LYS 8 Cb 0.00 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1ie6 s LYS 8 CO 0.00 -0.51 1.02 0.50 -0.92 0.00 0.00 175.35 175.44 1ie6 s ARG 9 N -4.15 3.58 -0.04 1.68 3.52 -1.26 0.68 118.95 122.96 1ie6 s ARG 9 Ca 0.28 1.01 -0.01 0.00 -0.13 0.00 0.00 55.73 56.87 1ie6 s ARG 9 Cb -0.01 -2.08 0.03 0.00 -1.56 0.00 0.00 34.95 31.33 1ie6 s ARG 9 CO 0.17 -0.58 0.08 0.00 -0.81 0.00 0.00 175.30 174.15 1ie6 h LYS 11 N 7.10 0.00 -4.04 0.00 6.56 -1.90 -3.23 116.57 121.06 1ie6 h LYS 11 Ca -0.42 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.03 1ie6 h LYS 11 Cb 1.14 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.62 1ie6 h LYS 11 CO 0.46 0.00 -0.66 0.00 -2.06 0.00 0.00 179.45 177.19 1ie6 s ALA 12 N -3.17 0.23 0.53 3.86 0.00 -1.26 -4.74 121.76 117.22 1ie6 s ALA 12 Ca 0.07 -0.82 0.26 0.00 0.00 0.00 0.00 51.96 51.48 1ie6 s ALA 12 Cb 0.11 0.21 1.41 0.00 0.00 0.00 0.00 23.12 24.86 1ie6 s ALA 12 CO 0.67 -0.27 1.98 -0.44 0.00 0.00 0.00 175.76 177.70 1ie6 h ASP 13 N 3.90 0.00 1.14 0.00 3.32 -1.89 0.07 116.42 122.96 1ie6 h ASP 13 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1ie6 h ASP 13 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1ie6 h ASP 13 CO 0.52 0.00 -0.84 -1.13 -1.72 0.00 0.00 179.24 176.07 1ie6 h ASN 14 N 0.00 0.00 -1.00 6.45 -0.00 -1.96 -3.25 115.58 115.82 1ie6 h ASN 14 Ca 0.28 -0.01 0.41 0.00 -0.00 0.00 0.00 56.30 56.98 1ie6 h ASN 14 Cb 1.13 0.00 -0.18 0.00 -0.00 0.00 0.00 38.32 39.28 1ie6 h ASN 14 CO -0.00 0.00 0.54 -0.78 -0.00 0.00 0.00 177.43 177.19 1ie6 h ASP 15 N 0.00 0.33 -4.15 1.15 3.58 -1.36 -3.39 116.42 112.58 1ie6 h ASP 15 Ca 0.00 0.25 -0.46 0.00 0.42 0.00 0.00 57.03 57.24 1ie6 h ASP 15 Cb 0.99 0.26 0.01 0.00 1.72 0.00 0.00 39.33 42.31 1ie6 h ASP 15 CO 0.00 -0.41 0.37 0.00 -2.88 0.00 0.00 179.24 176.32 1ie6 n GLY 18 N 1.13 -0.71 2.37 0.00 0.00 -1.26 -4.89 105.19 101.83 1ie6 n GLY 18 Ca 0.09 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1ie6 n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ie6 n LYS 19 N -0.77 -1.45 -3.25 1.61 5.02 -0.87 -4.84 118.16 113.62 1ie6 n LYS 19 Ca 0.11 0.94 -0.25 0.00 -2.02 0.00 0.00 58.31 57.10 1ie6 n LYS 19 Cb 0.34 -5.24 -0.07 0.00 -0.02 0.00 0.00 35.03 30.05 1ie6 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ie6 n LYS 20 N -1.80 1.65 -1.82 1.97 4.76 -1.24 -4.74 118.16 116.94 1ie6 n LYS 20 Ca -0.15 -3.93 -0.31 0.00 -2.87 0.00 0.00 58.31 51.05 1ie6 n LYS 20 Cb 0.54 -1.75 0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ie6 s LYS 22 N -4.91 0.02 0.82 0.00 2.20 0.82 -4.50 119.74 114.19 1ie6 s LYS 22 Ca 0.57 0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 56.25 1ie6 s LYS 22 Cb -0.12 -1.10 0.09 0.00 -1.51 0.00 0.00 37.83 35.18 1ie6 s LYS 22 CO 0.50 -0.50 1.14 0.50 -0.36 0.00 0.00 175.35 176.63 1ie6 s ARG 23 N 2.19 1.87 -0.44 4.03 3.52 -1.26 -2.69 118.95 126.17 1ie6 s ARG 23 Ca 0.04 0.31 -0.07 0.00 -0.13 0.00 0.00 55.73 55.88 1ie6 s ARG 23 Cb -0.14 -1.92 -0.22 0.00 -1.56 0.00 0.00 34.95 31.11 1ie6 s ARG 23 CO -0.07 -1.70 3.42 -2.13 -0.81 0.00 0.00 175.30 174.01 1ie6 n ARG 24 N -3.43 2.44 0.00 5.12 3.00 -1.26 -3.66 116.66 118.87 1ie6 n ARG 24 Ca 0.07 -1.32 0.00 0.00 -0.00 0.00 0.00 57.85 56.61 1ie6 n ARG 24 Cb 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.84 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 2.80 -0.21 2.65 5.14 0.00 -1.26 -5.05 105.19 109.26 1ie6 n GLY 25 Ca 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.99 0.00 -2.07 2.61 5.66 -1.24 -5.11 114.28 112.14 1ie6 n THR 26 Ca 0.00 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1ie6 n THR 26 Cb 0.00 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1ie6 n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ie6 n ASN 27 N 0.32 -7.74 0.00 1.09 4.05 -1.26 -4.76 115.26 106.96 1ie6 n ASN 27 Ca -0.12 1.41 0.00 0.00 0.45 0.00 0.00 54.58 56.32 1ie6 n ASN 27 Cb 0.74 -4.62 0.00 0.00 1.23 0.00 0.00 39.78 37.13 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ie6 n ALA 28 N 1.91 0.00 0.00 5.20 0.00 -1.26 -4.61 120.51 121.75 1ie6 n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ie6 n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ie6 n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ie6 n GLU 29 N -0.26 0.00 0.00 0.00 0.00 -1.26 -4.55 120.64 114.57 1ie6 n GLU 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ie6 n GLU 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ie6 n GLU 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ie6 n LYS 30 N 0.00 0.00 -4.07 5.31 4.76 -1.22 -4.80 118.16 118.15 1ie6 n LYS 30 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1ie6 n LYS 30 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1ie6 n LYS 30 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ie6 s ARG 31 N 0.00 0.55 -0.26 1.97 0.52 -1.09 -2.14 118.95 118.49 1ie6 s ARG 31 Ca 0.00 -0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 1ie6 s ARG 31 Cb 0.00 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.42 1ie6 s ARG 31 CO 0.00 -0.03 1.44 0.00 0.02 0.00 0.00 175.30 176.73