#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 -0.78 -4.94 1.61 -0.08 -1.26 -5.01 116.55 106.08 1ie6 n ASP 2 Ca 0.00 1.12 -0.24 0.00 -1.51 0.00 0.00 54.79 54.16 1ie6 n ASP 2 Cb 0.00 -4.50 -0.01 0.00 2.34 0.00 0.00 41.12 38.95 1ie6 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ie6 s LEU 4 N -4.18 3.98 1.28 0.00 1.02 0.31 -4.56 118.68 116.53 1ie6 s LEU 4 Ca 0.39 0.67 -0.20 0.00 0.02 0.00 0.00 54.13 55.01 1ie6 s LEU 4 Cb -0.10 -3.52 0.32 0.00 0.02 0.00 0.00 46.19 42.91 1ie6 s LEU 4 CO 0.34 -0.28 1.04 -2.16 0.02 0.00 0.00 176.35 175.31 1ie6 s PRO 5 N -3.95 -1.83 -0.20 1.29 0.04 -1.26 0.39 135.00 129.47 1ie6 s PRO 5 Ca 0.43 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.52 1ie6 s PRO 5 Cb -0.10 -1.51 0.25 0.00 0.04 0.00 0.00 34.50 33.17 1ie6 s PRO 5 CO 0.34 -4.14 1.51 -2.39 0.04 0.00 0.00 177.00 172.36 1ie6 n HIS 6 N -5.08 1.25 -2.24 0.56 1.44 -1.26 -3.69 115.22 106.20 1ie6 n HIS 6 Ca 0.13 -1.21 -0.04 0.00 -2.01 0.00 0.00 57.72 54.59 1ie6 n HIS 6 Cb 0.59 -0.61 -0.02 0.00 0.12 0.00 0.00 29.99 30.08 1ie6 n HIS 6 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1ie6 n LEU 7 N -0.02 -0.54 -4.19 2.39 -0.00 -0.93 -3.08 117.00 110.63 1ie6 n LEU 7 Ca 0.24 -2.22 -0.17 0.00 -0.00 0.00 0.00 56.01 53.86 1ie6 n LEU 7 Cb 0.89 0.04 -0.11 0.00 -0.00 0.00 0.00 43.42 44.23 1ie6 n LEU 7 CO 0.26 1.31 -0.44 -0.54 -0.00 0.00 0.00 177.39 177.97 1ie6 s LYS 8 N -0.17 0.89 0.35 1.96 -0.14 -1.24 -4.78 119.74 116.61 1ie6 s LYS 8 Ca 0.10 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.33 1ie6 s LYS 8 Cb 0.16 -0.77 -0.11 0.00 -1.68 0.00 0.00 37.83 35.43 1ie6 s LYS 8 CO -0.06 0.15 1.49 0.50 -0.76 0.00 0.00 175.35 176.68 1ie6 s ARG 9 N -2.29 4.14 -0.01 1.68 6.06 -1.26 0.04 118.95 127.30 1ie6 s ARG 9 Ca 0.03 2.53 0.05 0.00 -2.50 0.00 0.00 55.73 55.84 1ie6 s ARG 9 Cb -0.07 -2.99 -0.01 0.00 0.06 0.00 0.00 34.95 31.94 1ie6 s ARG 9 CO 0.02 -0.51 -0.17 0.00 -2.50 0.00 0.00 175.30 172.13 1ie6 n LYS 11 N 2.67 0.04 -3.69 0.00 3.00 -1.26 -4.26 118.16 114.66 1ie6 n LYS 11 Ca -0.15 0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.08 1ie6 n LYS 11 Cb 0.54 -1.53 -0.10 0.00 0.00 0.00 0.00 35.03 33.94 1ie6 n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ie6 s ALA 12 N -3.02 -1.13 0.56 3.14 0.00 -1.26 -4.91 121.76 115.13 1ie6 s ALA 12 Ca 0.12 1.59 0.49 0.00 0.00 0.00 0.00 51.96 54.16 1ie6 s ALA 12 Cb 0.18 -0.96 1.72 0.00 0.00 0.00 0.00 23.12 24.05 1ie6 s ALA 12 CO 0.63 -0.27 1.60 -0.44 0.00 0.00 0.00 175.76 177.28 1ie6 h ASP 13 N 6.96 0.00 -0.39 0.00 3.32 -1.87 2.19 116.42 126.64 1ie6 h ASP 13 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1ie6 h ASP 13 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ie6 h ASP 13 CO 0.28 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.34 1ie6 n ASN 14 N -3.95 2.33 0.16 6.45 0.23 -1.26 -3.18 115.26 116.04 1ie6 n ASN 14 Ca 0.42 -2.07 0.11 0.00 -0.53 0.00 0.00 54.58 52.51 1ie6 n ASN 14 Cb 1.94 -0.31 0.09 0.00 -2.08 0.00 0.00 39.78 39.41 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1ie6 h ASP 15 N 2.29 0.00 -4.53 0.53 3.58 0.33 -3.45 116.42 115.18 1ie6 h ASP 15 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1ie6 h ASP 15 Cb 0.64 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.79 1ie6 h ASP 15 CO 0.04 0.02 0.39 0.00 -2.88 0.00 0.00 179.24 176.82 1ie6 n GLY 18 N 1.35 -0.53 2.76 0.00 0.00 -1.26 -4.92 105.19 102.59 1ie6 n GLY 18 Ca 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.73 -1.57 -3.68 1.61 5.02 -1.13 -4.88 118.16 112.80 1ie6 n LYS 19 Ca 0.08 0.56 -0.28 0.00 -2.02 0.00 0.00 58.31 56.65 1ie6 n LYS 19 Cb 0.39 -4.80 -0.11 0.00 -0.02 0.00 0.00 35.03 30.49 1ie6 n LYS 19 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ie6 n LYS 20 N -0.26 1.20 -0.28 1.97 4.81 -1.23 -4.52 118.16 119.84 1ie6 n LYS 20 Ca -0.04 -3.96 -0.05 0.00 -0.87 0.00 0.00 58.31 53.39 1ie6 n LYS 20 Cb 0.45 -2.03 0.03 0.00 0.02 0.00 0.00 35.03 33.50 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ie6 s LYS 22 N -3.44 0.51 1.03 0.00 2.36 -0.46 -4.60 119.74 115.14 1ie6 s LYS 22 Ca 0.12 0.86 -0.17 0.00 -2.55 0.00 0.00 55.97 54.22 1ie6 s LYS 22 Cb -0.00 0.27 0.24 0.00 -1.05 0.00 0.00 37.83 37.29 1ie6 s LYS 22 CO 0.08 -0.65 1.24 2.89 1.55 0.00 0.00 175.35 180.47 1ie6 n ARG 23 N 5.41 -1.79 -2.06 4.03 -4.01 -1.26 -2.62 116.66 114.36 1ie6 n ARG 23 Ca -0.01 -1.93 -0.40 0.00 -1.04 0.00 0.00 57.85 54.46 1ie6 n ARG 23 Cb 0.51 -1.42 -0.00 0.00 -3.04 0.00 0.00 32.46 28.51 1ie6 n ARG 23 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1ie6 n ARG 24 N -4.05 4.63 0.00 2.89 1.74 -1.26 -4.50 116.66 116.11 1ie6 n ARG 24 Ca 0.16 -3.58 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 1ie6 n ARG 24 Cb 0.57 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ie6 n GLY 25 N 1.45 -2.21 2.24 -0.13 0.00 -1.26 -5.03 105.19 100.25 1ie6 n GLY 25 Ca 0.60 0.73 -0.21 0.00 0.00 0.00 0.00 46.02 47.14 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 0.00 -0.49 -1.72 2.61 5.66 -1.26 -5.10 114.28 113.98 1ie6 n THR 26 Ca 0.00 -3.92 0.00 0.00 -3.05 0.00 0.00 64.05 57.08 1ie6 n THR 26 Cb 0.00 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 1ie6 n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ie6 n ASN 27 N 1.09 -9.13 0.00 1.09 5.03 -1.26 -4.90 115.26 107.17 1ie6 n ASN 27 Ca 0.21 1.40 0.00 0.00 0.87 0.00 0.00 54.58 57.06 1ie6 n ASN 27 Cb 0.58 -5.30 0.00 0.00 -1.02 0.00 0.00 39.78 34.04 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ie6 n ALA 28 N -1.06 0.00 0.00 5.41 0.00 -1.26 -4.63 120.51 118.97 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 0.00 0.00 0.00 0.00 0.28 -1.26 -3.95 120.64 115.71 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 -4.54 3.44 4.01 -1.23 -4.51 118.16 115.32 1ie6 n LYS 30 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 1ie6 n LYS 30 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 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 0.00 1.16 0.45 1.97 0.52 -1.08 -2.30 118.95 119.67 1ie6 s ARG 31 Ca 0.00 -0.75 -0.24 0.00 -0.52 0.00 0.00 55.73 54.21 1ie6 s ARG 31 Cb 0.00 -1.18 -0.08 0.00 0.52 0.00 0.00 34.95 34.21 1ie6 s ARG 31 CO 0.00 0.30 1.27 0.00 0.02 0.00 0.00 175.30 176.89