#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 6.48 0.28 1.61 2.15 -1.26 -4.97 116.67 120.96 1ie6 s ASP 2 Ca 0.00 2.72 -0.10 0.00 0.43 0.00 0.00 52.55 55.60 1ie6 s ASP 2 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1ie6 s ASP 2 CO 0.00 -0.92 0.49 0.00 -0.17 0.00 0.00 175.17 174.57 1ie6 s LEU 4 N -3.08 3.46 1.11 0.00 1.43 0.81 -4.63 118.68 117.77 1ie6 s LEU 4 Ca 0.25 0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 54.10 1ie6 s LEU 4 Cb -0.01 -3.79 0.25 0.00 0.03 0.00 0.00 46.19 42.67 1ie6 s LEU 4 CO 0.12 -0.78 1.05 -2.16 0.23 0.00 0.00 176.35 174.82 1ie6 s PRO 5 N -4.86 -0.45 -0.26 1.29 0.04 -1.26 0.21 135.00 129.71 1ie6 s PRO 5 Ca 0.50 0.64 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1ie6 s PRO 5 Cb -0.10 -1.62 0.30 0.00 0.04 0.00 0.00 34.50 33.11 1ie6 s PRO 5 CO 0.46 -3.36 1.65 1.58 0.04 0.00 0.00 177.00 177.37 1ie6 n HIS 6 N -4.63 1.57 -1.92 0.56 -0.00 -1.26 -3.85 115.22 105.69 1ie6 n HIS 6 Ca 0.04 -1.46 -0.03 0.00 -0.00 0.00 0.00 57.72 56.26 1ie6 n HIS 6 Cb 0.56 -0.73 -0.03 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 -0.11 -0.45 -4.22 0.27 4.77 -1.13 -4.32 117.00 111.81 1ie6 n LEU 7 Ca 0.30 -1.34 -0.17 0.00 -0.03 0.00 0.00 56.01 54.78 1ie6 n LEU 7 Cb 0.92 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.90 1ie6 n LEU 7 CO 0.34 1.17 -0.44 -0.75 -1.33 0.00 0.00 177.39 176.38 1ie6 s LYS 8 N 0.00 0.97 0.69 3.23 2.20 -1.25 -4.80 119.74 120.78 1ie6 s LYS 8 Ca 0.00 -1.22 -0.17 0.00 -0.36 0.00 0.00 55.97 54.22 1ie6 s LYS 8 Cb 0.00 -0.78 -0.08 0.00 -1.51 0.00 0.00 37.83 35.46 1ie6 s LYS 8 CO 0.00 0.14 0.26 -2.13 -0.36 0.00 0.00 175.35 173.26 1ie6 n ARG 9 N 0.51 0.23 -4.79 4.03 0.63 -1.26 -0.73 116.66 115.28 1ie6 n ARG 9 Ca -0.15 0.10 -0.30 0.00 -0.92 0.00 0.00 57.85 56.58 1ie6 n ARG 9 Cb 0.57 -1.56 -0.17 0.00 0.45 0.00 0.00 32.46 31.76 1ie6 n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ie6 n LYS 11 N 3.88 0.05 -3.64 0.00 5.02 -1.26 -4.34 118.16 117.87 1ie6 n LYS 11 Ca -0.20 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 1ie6 n LYS 11 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1ie6 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ie6 s ALA 12 N -2.95 -1.75 0.41 7.82 0.00 -1.26 -4.95 121.76 119.08 1ie6 s ALA 12 Ca 0.15 2.16 0.28 0.00 0.00 0.00 0.00 51.96 54.54 1ie6 s ALA 12 Cb 0.18 -1.26 1.43 0.00 0.00 0.00 0.00 23.12 23.47 1ie6 s ALA 12 CO 0.50 -0.35 1.58 -0.44 0.00 0.00 0.00 175.76 177.05 1ie6 h ASP 13 N 6.11 0.25 -0.19 0.00 3.32 -1.86 2.11 116.42 126.17 1ie6 h ASP 13 Ca -0.30 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ie6 h ASP 13 Cb 1.20 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1ie6 h ASP 13 CO 0.13 -0.33 0.00 -3.20 -1.72 0.00 0.00 179.24 174.11 1ie6 n ASN 14 N -4.96 1.99 0.26 6.45 2.85 -1.26 -3.04 115.26 117.55 1ie6 n ASN 14 Ca 0.39 -1.75 0.15 0.00 -0.11 0.00 0.00 54.58 53.26 1ie6 n ASN 14 Cb 1.45 -0.12 0.53 0.00 1.24 0.00 0.00 39.78 42.88 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1ie6 h ASP 15 N 2.67 0.00 -4.40 1.20 3.58 0.31 -3.43 116.42 116.35 1ie6 h ASP 15 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1ie6 h ASP 15 Cb 0.58 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.72 1ie6 h ASP 15 CO 0.00 0.02 0.39 0.00 -2.88 0.00 0.00 179.24 176.77 1ie6 n GLY 18 N 1.25 -0.16 2.66 0.00 0.00 -1.26 -4.93 105.19 102.75 1ie6 n GLY 18 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1ie6 n GLY 18 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ie6 n LYS 19 N -0.25 -1.49 -3.43 1.61 -0.00 -0.98 -4.90 118.16 108.72 1ie6 n LYS 19 Ca 0.09 0.98 -0.24 0.00 -0.00 0.00 0.00 58.31 59.15 1ie6 n LYS 19 Cb 0.44 -5.32 -0.11 0.00 -0.00 0.00 0.00 35.03 30.04 1ie6 n LYS 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ie6 s LYS 20 N -3.15 0.51 0.86 -1.58 2.20 -1.22 -4.58 119.74 112.79 1ie6 s LYS 20 Ca 0.00 -0.97 -0.13 0.00 -0.36 0.00 0.00 55.97 54.51 1ie6 s LYS 20 Cb 0.00 -1.03 0.11 0.00 -1.51 0.00 0.00 37.83 35.40 1ie6 s LYS 20 CO 0.00 -1.17 1.19 0.00 -0.36 0.00 0.00 175.35 175.01 1ie6 s LYS 22 N -5.55 1.91 0.45 0.00 2.36 0.40 -4.62 119.74 114.69 1ie6 s LYS 22 Ca 0.64 -2.56 -0.20 0.00 -2.55 0.00 0.00 55.97 51.30 1ie6 s LYS 22 Cb -0.11 -3.22 -0.10 0.00 -1.05 0.00 0.00 37.83 33.35 1ie6 s LYS 22 CO 0.51 -1.11 0.96 0.50 1.55 0.00 0.00 175.35 177.75 1ie6 s ARG 23 N -0.23 4.15 -0.09 4.03 3.52 -1.26 -2.87 118.95 126.20 1ie6 s ARG 23 Ca 0.17 1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 56.79 1ie6 s ARG 23 Cb -0.26 -2.17 -0.20 0.00 -1.56 0.00 0.00 34.95 30.76 1ie6 s ARG 23 CO 0.00 -0.10 3.44 2.89 -0.81 0.00 0.00 175.30 180.72 1ie6 n ARG 24 N -0.90 2.07 0.00 5.12 1.85 -1.26 -4.39 116.66 119.15 1ie6 n ARG 24 Ca 0.07 -1.26 0.00 0.00 -1.00 0.00 0.00 57.85 55.66 1ie6 n ARG 24 Cb 0.54 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 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 2.16 -0.31 2.82 2.89 0.00 -1.26 -4.99 105.19 106.49 1ie6 n GLY 25 Ca 0.44 0.60 -0.39 0.00 0.00 0.00 0.00 46.02 46.66 1ie6 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ie6 n THR 26 N 0.00 4.18 -1.45 2.61 -2.24 -1.26 -5.01 114.28 111.11 1ie6 n THR 26 Ca 0.00 -4.82 0.07 0.00 -2.27 0.00 0.00 64.05 57.03 1ie6 n THR 26 Cb 0.00 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 66.86 1ie6 n THR 26 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ie6 n ASN 27 N -0.40 -7.24 0.00 3.42 2.04 -1.26 -5.01 115.26 106.81 1ie6 n ASN 27 Ca 0.51 1.50 0.00 0.00 -0.44 0.00 0.00 54.58 56.15 1ie6 n ASN 27 Cb 0.27 -4.69 0.00 0.00 -2.53 0.00 0.00 39.78 32.83 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ie6 n ALA 28 N -3.32 0.00 0.00 -2.53 0.00 -1.26 -4.86 120.51 108.54 1ie6 n ALA 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ie6 n ALA 28 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.64 120.64 116.02 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 -4.24 3.44 4.01 -1.26 -4.30 118.16 115.81 1ie6 n LYS 30 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 1ie6 n LYS 30 Cb 0.00 -0.02 -0.14 0.00 -0.51 0.00 0.00 35.03 34.36 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 0.55 0.09 1.97 0.52 -1.14 -2.16 118.95 118.78 1ie6 s ARG 31 Ca 0.00 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 1ie6 s ARG 31 Cb 0.00 -0.53 -0.10 0.00 0.52 0.00 0.00 34.95 34.84 1ie6 s ARG 31 CO 0.00 0.15 1.88 0.00 0.02 0.00 0.00 175.30 177.35