#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj6 s ILE 2 N 0.00 1.97 0.28 -0.61 1.01 -1.26 -5.11 121.20 117.48 1kj6 s ILE 2 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.09 1kj6 s ILE 2 Cb 0.00 -1.68 -0.11 0.00 0.01 0.00 0.00 42.46 40.68 1kj6 s ILE 2 CO 0.00 0.36 1.53 -0.51 0.00 0.00 0.00 174.94 176.32 1kj6 s ILE 3 N -0.75 2.27 0.06 2.92 2.07 -1.26 -4.94 121.20 121.58 1kj6 s ILE 3 Ca 0.10 0.23 -0.34 0.00 -1.41 0.00 0.00 60.65 59.23 1kj6 s ILE 3 Cb -0.10 -3.15 -0.19 0.00 0.13 0.00 0.00 42.46 39.15 1kj6 s ILE 3 CO 0.01 0.04 1.57 0.78 -1.91 0.00 0.00 174.94 175.43 1kj6 h ASN 4 N 4.82 -0.91 -1.21 4.50 2.35 -2.10 -3.36 115.58 119.67 1kj6 h ASN 4 Ca -0.47 0.03 -0.49 0.00 -0.55 0.00 0.00 56.30 54.81 1kj6 h ASN 4 Cb 1.22 0.23 -0.08 0.00 0.05 0.00 0.00 38.32 39.75 1kj6 h ASN 4 CO 0.78 -0.63 1.21 -0.89 -1.65 0.00 0.00 177.43 176.24 1kj6 s THR 5 N -5.92 3.71 -0.51 2.81 2.01 -1.26 -4.80 115.64 111.69 1kj6 s THR 5 Ca -0.18 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1kj6 s THR 5 Cb 0.03 -4.65 0.46 0.00 0.01 0.00 0.00 72.50 68.35 1kj6 s THR 5 CO 0.60 -1.56 1.69 0.00 -0.69 0.00 0.00 174.62 174.66 1kj6 n LEU 6 N 10.75 6.49 0.00 4.42 -0.00 -1.26 -4.68 117.00 132.73 1kj6 n LEU 6 Ca 0.31 -4.44 0.03 0.00 -0.00 0.00 0.00 56.01 51.91 1kj6 n LEU 6 Cb 0.50 -0.72 0.17 0.00 -0.00 0.00 0.00 43.42 43.37 1kj6 n LEU 6 CO 0.65 1.71 0.51 0.00 -0.00 0.00 0.00 177.39 180.26 1kj6 n GLN 7 N -0.85 0.12 0.10 1.47 6.02 -1.26 -0.72 117.38 122.26 1kj6 n GLN 7 Ca 0.55 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.84 1kj6 n GLN 7 Cb 0.81 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.91 1kj6 n GLN 7 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1kj6 n LYS 8 N -1.22 0.28 -1.05 -1.09 4.76 -1.26 -4.21 118.16 114.37 1kj6 n LYS 8 Ca 0.04 0.19 -0.05 0.00 -2.87 0.00 0.00 58.31 55.61 1kj6 n LYS 8 Cb 0.05 -1.78 -0.06 0.00 -1.84 0.00 0.00 35.03 31.40 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1kj6 n TYR 9 N -2.25 0.00 -0.16 2.13 0.18 -0.44 -4.95 117.16 111.67 1kj6 n TYR 9 Ca 0.05 -0.48 -0.11 0.00 1.88 0.00 0.00 57.90 59.23 1kj6 n TYR 9 Cb 0.44 0.40 -0.00 0.00 -0.38 0.00 0.00 39.34 39.79 1kj6 n TYR 9 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1kj6 h TYR 10 N 0.14 1.09 -0.00 -3.48 5.03 -1.09 -1.94 116.97 116.72 1kj6 h TYR 10 Ca -0.50 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 60.55 1kj6 h TYR 10 Cb 1.46 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1kj6 h TYR 10 CO -0.14 1.06 0.00 0.00 -1.32 0.00 0.00 178.16 177.76 1kj6 n ARG 12 N -0.87 0.63 0.15 0.00 0.63 -0.79 -2.91 116.66 113.51 1kj6 n ARG 12 Ca 0.19 0.30 0.14 0.00 -0.92 0.00 0.00 57.85 57.56 1kj6 n ARG 12 Cb 0.09 -1.59 0.70 0.00 0.45 0.00 0.00 32.46 32.11 1kj6 n ARG 12 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1kj6 h VAL 13 N -0.53 0.80 0.00 5.15 -1.51 -1.42 -3.41 116.25 115.33 1kj6 h VAL 13 Ca -0.55 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1kj6 h VAL 13 Cb 1.71 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1kj6 h VAL 13 CO -0.20 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.03 1kj6 n ARG 14 N -4.34 0.00 -2.60 5.19 1.85 -1.25 -5.14 116.66 110.37 1kj6 n ARG 14 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.83 1kj6 n ARG 14 Cb 0.32 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.70 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kj6 n GLY 15 N 0.11 -4.66 0.00 2.89 0.00 -1.15 -4.98 105.19 97.40 1kj6 n GLY 15 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 46.02 47.34 1kj6 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kj6 n GLY 16 N 1.85 -0.89 3.24 -0.02 0.00 -1.24 -4.99 105.19 103.14 1kj6 n GLY 16 Ca -0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1kj6 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kj6 s ARG 17 N -0.39 1.16 -0.09 1.61 1.70 0.48 -4.98 118.95 118.44 1kj6 s ARG 17 Ca 0.00 -1.59 0.02 0.00 -0.47 0.00 0.00 55.73 53.69 1kj6 s ARG 17 Cb 0.00 -0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.25 1kj6 s ARG 17 CO 0.00 -0.23 -0.14 0.00 -1.08 0.00 0.00 175.30 173.86 1kj6 s ALA 19 N -0.18 3.88 -0.15 0.00 0.00 -1.06 -5.02 121.76 119.24 1kj6 s ALA 19 Ca -0.00 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 1kj6 s ALA 19 Cb -0.13 -1.82 -0.24 0.00 0.00 0.00 0.00 23.12 20.93 1kj6 s ALA 19 CO 0.03 0.21 0.59 0.28 0.00 0.00 0.00 175.76 176.87 1kj6 h VAL 20 N 1.12 1.44 0.00 0.00 2.07 -1.92 -3.37 116.25 115.58 1kj6 h VAL 20 Ca -0.51 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 1kj6 h VAL 20 Cb 1.22 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1kj6 h VAL 20 CO 0.62 0.54 -0.63 -0.11 0.02 0.00 0.00 177.57 178.00 1kj6 n LEU 21 N -4.45 0.59 -4.14 2.57 7.94 -1.26 -4.41 117.00 113.83 1kj6 n LEU 21 Ca -0.18 0.08 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 1kj6 n LEU 21 Cb 0.61 -0.19 -0.12 0.00 0.53 0.00 0.00 43.42 44.25 1kj6 n LEU 21 CO 0.31 -0.31 -0.44 -0.44 -1.11 0.00 0.00 177.39 175.41 1kj6 s SER 22 N -5.53 1.41 1.23 1.96 0.01 -1.26 -4.64 113.70 106.88 1kj6 s SER 22 Ca -0.02 -0.60 -0.17 0.00 1.31 0.00 0.00 55.95 56.48 1kj6 s SER 22 Cb 0.01 -0.02 0.27 0.00 0.21 0.00 0.00 66.02 66.48 1kj6 s SER 22 CO 0.03 -0.12 0.70 0.00 0.41 0.00 0.00 173.24 174.26 1kj6 s LEU 24 N -5.55 4.46 0.51 0.00 2.01 -1.26 -4.97 118.68 113.87 1kj6 s LEU 24 Ca 0.63 0.94 0.34 0.00 0.01 0.00 0.00 54.13 56.06 1kj6 s LEU 24 Cb -0.18 -2.65 1.84 0.00 0.01 0.00 0.00 46.19 45.21 1kj6 s LEU 24 CO 0.62 0.30 2.05 1.55 1.01 0.00 0.00 176.35 181.88 1kj6 h PRO 25 N 4.56 0.00 -0.62 1.29 0.13 -2.02 -0.75 132.00 134.58 1kj6 h PRO 25 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1kj6 h PRO 25 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kj6 h PRO 25 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1kj6 n LYS 26 N -2.72 3.06 -3.67 0.86 5.02 -1.26 -4.90 118.16 114.54 1kj6 n LYS 26 Ca -0.02 -2.28 -0.15 0.00 -2.02 0.00 0.00 58.31 53.85 1kj6 n LYS 26 Cb 0.07 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.28 1kj6 n LYS 26 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1kj6 s GLU 27 N -1.68 0.75 0.32 1.97 -1.05 -0.29 -1.66 118.70 117.05 1kj6 s GLU 27 Ca 0.41 0.26 0.01 0.00 -0.15 0.00 0.00 54.97 55.50 1kj6 s GLU 27 Cb 0.26 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 1kj6 s GLU 27 CO 0.21 -0.18 0.50 -1.83 0.95 0.00 0.00 175.26 174.91 1kj6 s GLU 28 N -0.71 3.48 0.10 -4.83 -1.05 -0.94 -4.39 118.70 110.37 1kj6 s GLU 28 Ca -0.08 -0.43 -0.19 0.00 -0.15 0.00 0.00 54.97 54.13 1kj6 s GLU 28 Cb -0.03 -2.72 -0.07 0.00 -0.44 0.00 0.00 34.13 30.87 1kj6 s GLU 28 CO 0.05 0.22 0.59 -1.14 0.95 0.00 0.00 175.26 175.92 1kj6 s GLN 29 N -4.18 4.18 0.00 -4.83 0.74 -1.26 -0.39 119.66 113.92 1kj6 s GLN 29 Ca 0.39 0.72 0.00 0.00 0.05 0.00 0.00 55.36 56.52 1kj6 s GLN 29 Cb -0.10 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.85 1kj6 s GLN 29 CO 0.34 0.59 0.00 0.44 -0.55 0.00 0.00 175.29 176.11 1kj6 n ILE 30 N 1.48 0.00 -2.05 -2.34 -5.35 0.14 -4.95 119.36 106.29 1kj6 n ILE 30 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1kj6 n ILE 30 Cb 0.51 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1kj6 n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kj6 n GLY 31 N 2.27 2.04 3.12 3.28 0.00 -1.24 -4.65 105.19 110.00 1kj6 n GLY 31 Ca 0.00 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1kj6 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kj6 s LYS 32 N 1.43 2.03 0.00 1.61 1.02 -1.26 -1.51 119.74 123.06 1kj6 s LYS 32 Ca 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 55.97 54.36 1kj6 s LYS 32 Cb 0.00 -3.42 0.26 0.00 -0.52 0.00 0.00 37.83 34.15 1kj6 s LYS 32 CO 0.00 -0.93 1.14 0.00 -0.92 0.00 0.00 175.35 174.63 1kj6 n SER 34 N -1.43 0.00 0.09 0.00 2.88 -1.26 -4.92 113.62 108.98 1kj6 n SER 34 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1kj6 n SER 34 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1kj6 n SER 34 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1kj6 n THR 35 N 0.00 0.09 0.00 2.46 5.66 -1.26 -5.02 114.28 116.20 1kj6 n THR 35 Ca 0.00 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1kj6 n THR 35 Cb 0.00 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 1kj6 n THR 35 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1kj6 n ARG 36 N -3.16 2.77 0.11 1.09 0.63 -1.26 -4.91 116.66 111.92 1kj6 n ARG 36 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1kj6 n ARG 36 Cb 0.00 -0.25 -0.15 0.00 0.45 0.00 0.00 32.46 32.51 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1kj6 h GLY 37 N 0.00 0.44 -1.65 5.14 0.00 -1.93 -3.47 103.07 101.60 1kj6 h GLY 37 Ca 0.00 -1.12 -0.54 0.00 0.00 0.00 0.00 47.33 45.67 1kj6 h GLY 37 CO 0.00 0.98 -0.36 0.50 0.00 0.00 0.00 176.54 177.66 1kj6 s ARG 38 N -2.62 2.35 0.23 4.80 0.52 -1.26 -4.52 118.95 118.46 1kj6 s ARG 38 Ca -0.08 -1.80 -0.12 0.00 -0.52 0.00 0.00 55.73 53.21 1kj6 s ARG 38 Cb 0.06 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 1kj6 s ARG 38 CO 0.90 -0.38 0.43 0.15 0.02 0.00 0.00 175.30 176.41 1kj6 s LYS 39 N -4.17 1.47 -0.22 3.54 3.01 -1.26 -4.19 119.74 117.92 1kj6 s LYS 39 Ca 0.41 -1.27 -0.07 0.00 -1.01 0.00 0.00 55.97 54.04 1kj6 s LYS 39 Cb -0.02 0.45 -0.03 0.00 -1.01 0.00 0.00 37.83 37.22 1kj6 s LYS 39 CO 0.24 -0.60 0.05 0.00 0.51 0.00 0.00 175.35 175.55 1kj6 s ARG 42 N -0.29 3.39 0.48 0.00 1.04 0.47 -0.39 118.95 123.65 1kj6 s ARG 42 Ca 0.01 -0.63 -0.22 0.00 -1.04 0.00 0.00 55.73 53.85 1kj6 s ARG 42 Cb -0.12 -2.91 -0.10 0.00 -2.04 0.00 0.00 34.95 29.78 1kj6 s ARG 42 CO 0.02 -0.08 0.75 -2.13 -0.04 0.00 0.00 175.30 173.82 1kj6 n ARG 43 N 4.43 0.86 -1.64 3.89 0.63 -1.26 -2.20 116.66 121.37 1kj6 n ARG 43 Ca -0.18 0.32 -0.38 0.00 -0.92 0.00 0.00 57.85 56.68 1kj6 n ARG 43 Cb 0.51 -1.81 0.05 0.00 0.45 0.00 0.00 32.46 31.66 1kj6 n ARG 43 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kj6 n LYS 44 N 0.09 1.10 0.00 -0.14 4.76 -0.66 -4.86 118.16 118.44 1kj6 n LYS 44 Ca 0.11 0.42 0.08 0.00 -2.87 0.00 0.00 58.31 56.04 1kj6 n LYS 44 Cb 0.42 -2.22 0.45 0.00 -1.84 0.00 0.00 35.03 31.84 1kj6 n LYS 44 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39