#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 1.36 0.97 1.61 -4.77 -1.26 -5.14 116.67 109.44 1ie6 s ASP 2 Ca 0.00 -2.00 -0.15 0.00 -3.30 0.00 0.00 52.55 47.10 1ie6 s ASP 2 Cb 0.00 0.29 0.09 0.00 -1.09 0.00 0.00 42.92 42.21 1ie6 s ASP 2 CO 0.00 -0.23 -0.05 0.00 0.70 0.00 0.00 175.17 175.59 1ie6 s LEU 4 N 1.83 3.21 0.97 0.00 1.43 0.81 -4.64 118.68 122.29 1ie6 s LEU 4 Ca 0.36 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 1ie6 s LEU 4 Cb -0.04 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 42.79 1ie6 s LEU 4 CO 0.41 -1.09 1.09 -2.16 0.23 0.00 0.00 176.35 174.83 1ie6 s PRO 5 N -5.02 0.64 -0.23 1.29 0.04 -1.26 0.30 135.00 130.76 1ie6 s PRO 5 Ca 0.54 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ie6 s PRO 5 Cb -0.11 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.91 1ie6 s PRO 5 CO 0.46 -2.70 1.78 1.58 0.04 0.00 0.00 177.00 178.16 1ie6 n HIS 6 N -4.21 1.23 -1.89 0.56 -0.00 -1.26 -3.67 115.22 105.97 1ie6 n HIS 6 Ca 0.07 -1.52 0.00 0.00 -0.00 0.00 0.00 57.72 56.27 1ie6 n HIS 6 Cb 0.55 -0.75 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 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 0.32 0.00 -4.38 0.27 4.77 -0.97 -4.37 117.00 112.64 1ie6 n LEU 7 Ca 0.24 -0.84 -0.25 0.00 -0.03 0.00 0.00 56.01 55.13 1ie6 n LEU 7 Cb 0.70 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.68 1ie6 n LEU 7 CO 0.28 0.88 -0.51 -0.75 -1.33 0.00 0.00 177.39 175.96 1ie6 s LYS 8 N 0.00 1.40 0.62 3.23 2.47 -1.24 -4.74 119.74 121.48 1ie6 s LYS 8 Ca 0.00 -1.46 -0.18 0.00 -1.56 0.00 0.00 55.97 52.77 1ie6 s LYS 8 Cb 0.00 -1.62 -0.07 0.00 -1.46 0.00 0.00 37.83 34.68 1ie6 s LYS 8 CO 0.00 0.34 0.55 -2.13 0.16 0.00 0.00 175.35 174.28 1ie6 n ARG 9 N 0.32 0.48 -4.14 4.03 0.63 -1.26 -0.59 116.66 116.13 1ie6 n ARG 9 Ca -0.13 0.19 -0.17 0.00 -0.92 0.00 0.00 57.85 56.83 1ie6 n ARG 9 Cb 0.56 -1.77 -0.15 0.00 0.45 0.00 0.00 32.46 31.55 1ie6 n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ie6 h LYS 11 N 6.35 0.10 -3.83 0.00 3.64 -1.90 -3.35 116.57 117.58 1ie6 h LYS 11 Ca -0.32 -0.18 -0.26 0.00 -1.27 0.00 0.00 60.65 58.63 1ie6 h LYS 11 Cb 1.18 0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 32.78 1ie6 h LYS 11 CO 0.49 1.00 -0.73 0.00 -2.27 0.00 0.00 179.45 177.95 1ie6 s ALA 12 N -2.67 0.10 0.56 5.00 0.00 -1.26 -4.79 121.76 118.71 1ie6 s ALA 12 Ca -0.03 -0.02 0.48 0.00 0.00 0.00 0.00 51.96 52.40 1ie6 s ALA 12 Cb 0.09 -0.05 1.70 0.00 0.00 0.00 0.00 23.12 24.86 1ie6 s ALA 12 CO 0.84 0.01 1.60 -0.44 0.00 0.00 0.00 175.76 177.77 1ie6 h ASP 13 N 6.24 0.00 -0.50 0.00 3.32 -1.89 1.06 116.42 124.64 1ie6 h ASP 13 Ca -0.27 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.54 1ie6 h ASP 13 Cb 1.20 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 1ie6 h ASP 13 CO 0.51 0.00 0.31 0.59 -1.72 0.00 0.00 179.24 178.93 1ie6 n ASN 14 N -3.95 3.41 -0.00 6.45 5.03 -1.26 -3.93 115.26 121.00 1ie6 n ASN 14 Ca 0.42 -2.81 0.04 0.00 0.87 0.00 0.00 54.58 53.10 1ie6 n ASN 14 Cb 1.91 -0.67 -0.06 0.00 -1.02 0.00 0.00 39.78 39.93 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1ie6 n ASP 15 N -0.30 2.10 -4.88 6.41 -0.08 0.37 -4.94 116.55 115.23 1ie6 n ASP 15 Ca 0.30 -0.23 -0.30 0.00 -1.51 0.00 0.00 54.79 53.05 1ie6 n ASP 15 Cb 1.08 1.28 -0.04 0.00 2.34 0.00 0.00 41.12 45.79 1ie6 n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ie6 n GLY 18 N 1.13 -0.10 2.59 0.00 0.00 -1.26 -4.93 105.19 102.63 1ie6 n GLY 18 Ca 0.16 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.21 -1.47 -3.20 1.61 5.02 -1.02 -4.87 118.16 114.03 1ie6 n LYS 19 Ca 0.09 1.22 -0.24 0.00 -2.02 0.00 0.00 58.31 57.36 1ie6 n LYS 19 Cb 0.45 -5.63 -0.07 0.00 -0.02 0.00 0.00 35.03 29.76 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 -2.42 0.67 -2.65 1.97 5.02 -1.26 -4.92 118.16 114.57 1ie6 n LYS 20 Ca -0.21 -3.20 -0.41 0.00 -2.02 0.00 0.00 58.31 52.46 1ie6 n LYS 20 Cb 0.69 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 34.41 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ie6 s LYS 22 N 0.33 3.14 0.89 0.00 2.20 -0.57 -3.99 119.74 121.74 1ie6 s LYS 22 Ca 0.50 -0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1ie6 s LYS 22 Cb -0.24 -2.64 0.15 0.00 -1.51 0.00 0.00 37.83 33.58 1ie6 s LYS 22 CO 0.30 -0.10 1.25 -0.98 -0.36 0.00 0.00 175.35 175.46 1ie6 s ARG 23 N 1.09 1.19 -0.47 4.03 1.04 -1.26 -2.86 118.95 121.71 1ie6 s ARG 23 Ca -0.00 -0.25 -0.07 0.00 -1.04 0.00 0.00 55.73 54.37 1ie6 s ARG 23 Cb -0.14 -1.91 -0.21 0.00 -2.04 0.00 0.00 34.95 30.65 1ie6 s ARG 23 CO -0.05 -2.06 3.36 2.89 -0.04 0.00 0.00 175.30 179.40 1ie6 n ARG 24 N -3.55 2.45 0.00 3.89 1.85 -1.26 -4.19 116.66 115.84 1ie6 n ARG 24 Ca 0.12 -1.33 0.00 0.00 -1.00 0.00 0.00 57.85 55.65 1ie6 n ARG 24 Cb 0.60 -2.22 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ie6 n GLY 25 N 2.83 -2.32 2.58 2.89 0.00 -1.26 -5.07 105.19 104.85 1ie6 n GLY 25 Ca 0.52 0.76 -0.15 0.00 0.00 0.00 0.00 46.02 47.16 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 -0.98 -0.58 -1.72 2.61 5.66 -1.26 -5.09 114.28 112.92 1ie6 n THR 26 Ca 0.00 -2.19 0.00 0.00 -3.05 0.00 0.00 64.05 58.81 1ie6 n THR 26 Cb 0.00 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 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 2.83 0.00 0.00 1.09 6.94 -1.26 -4.76 115.26 120.10 1ie6 n ASN 27 Ca 0.23 0.93 0.00 0.00 -0.02 0.00 0.00 54.58 55.73 1ie6 n ASN 27 Cb 0.52 -1.40 0.00 0.00 -2.36 0.00 0.00 39.78 36.54 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ie6 n ALA 28 N 1.80 0.02 0.00 -2.53 0.00 -1.26 -4.67 120.51 113.87 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 -2.52 0.00 0.00 0.00 2.13 -1.26 -4.41 120.64 114.57 1ie6 n GLU 29 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ie6 n GLU 29 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ie6 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ie6 n LYS 30 N 0.00 0.00 -3.87 5.31 4.01 -1.25 -4.75 118.16 117.62 1ie6 n LYS 30 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1ie6 n LYS 30 Cb 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.41 1ie6 n LYS 30 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1ie6 s ARG 31 N 0.00 0.31 -0.50 1.97 3.52 -1.13 -2.19 118.95 120.92 1ie6 s ARG 31 Ca 0.00 -0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.14 1ie6 s ARG 31 Cb 0.00 0.13 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 1ie6 s ARG 31 CO 0.00 -0.06 2.42 0.00 -0.81 0.00 0.00 175.30 176.85