#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 0.00 -0.28 -0.61 -1.16 -1.26 -5.18 121.20 112.71 1kj6 s ILE 2 Ca 0.00 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.89 1kj6 s ILE 2 Cb 0.00 -1.00 0.11 0.00 0.61 0.00 0.00 42.46 42.18 1kj6 s ILE 2 CO 0.00 0.00 0.97 -0.51 -2.81 0.00 0.00 174.94 172.59 1kj6 s ILE 3 N -0.59 0.00 0.00 2.00 2.07 -1.26 -5.10 121.20 118.32 1kj6 s ILE 3 Ca -0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1kj6 s ILE 3 Cb -0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1kj6 s ILE 3 CO 0.02 0.00 0.00 0.59 -1.91 0.00 0.00 174.94 173.64 1kj6 n ASN 4 N 2.39 0.00 -1.43 4.50 3.02 -1.26 -5.15 115.26 117.33 1kj6 n ASN 4 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1kj6 n ASN 4 Cb 0.56 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1kj6 n THR 5 N -2.43 0.00 -2.84 3.41 -1.04 -1.26 -5.06 114.28 105.06 1kj6 n THR 5 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1kj6 n THR 5 Cb 0.00 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.54 1kj6 n THR 5 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1kj6 s LEU 6 N 0.00 4.08 0.00 -4.42 2.34 -1.26 -4.82 118.68 114.60 1kj6 s LEU 6 Ca 0.00 1.11 0.00 0.00 0.06 0.00 0.00 54.13 55.30 1kj6 s LEU 6 Cb 0.00 -3.27 0.00 0.00 -0.56 0.00 0.00 46.19 42.36 1kj6 s LEU 6 CO 0.00 -0.55 0.00 0.00 -1.06 0.00 0.00 176.35 174.74 1kj6 n GLN 7 N 6.09 3.23 0.00 1.48 6.02 -1.26 -4.06 117.38 128.87 1kj6 n GLN 7 Ca 0.07 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.21 1kj6 n GLN 7 Cb 0.47 -0.47 0.69 0.00 1.02 0.00 0.00 30.24 31.96 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 -0.56 0.63 -0.33 -1.09 4.01 -1.26 -3.80 118.16 115.75 1kj6 n LYS 8 Ca 0.00 -0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1kj6 n LYS 8 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 1kj6 n TYR 9 N -1.07 0.00 0.03 2.13 4.11 -1.26 -4.91 117.16 116.19 1kj6 n TYR 9 Ca 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.12 1kj6 n TYR 9 Cb 0.25 0.13 0.49 0.00 -0.00 0.00 0.00 39.34 40.22 1kj6 n TYR 9 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1kj6 h TYR 10 N 0.00 0.38 0.00 -3.48 5.03 -1.70 0.21 116.97 117.40 1kj6 h TYR 10 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1kj6 h TYR 10 Cb 1.09 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1kj6 h TYR 10 CO -0.11 0.22 -0.43 0.00 -1.32 0.00 0.00 178.16 176.53 1kj6 h ARG 12 N 0.00 0.00 0.09 0.00 9.65 -1.01 -2.47 114.38 120.63 1kj6 h ARG 12 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 1kj6 h ARG 12 Cb 0.56 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1kj6 h ARG 12 CO 0.00 0.32 -1.75 -0.39 2.80 0.00 0.00 179.97 180.94 1kj6 h VAL 13 N 0.00 0.87 0.00 0.20 -1.51 -1.24 -3.45 116.25 111.13 1kj6 h VAL 13 Ca -0.10 -2.60 -0.08 0.00 -1.23 0.00 0.00 66.70 62.69 1kj6 h VAL 13 Cb 1.46 2.57 -0.08 0.00 -2.13 0.00 0.00 31.29 33.11 1kj6 h VAL 13 CO 0.05 0.76 0.07 -2.11 -1.23 0.00 0.00 177.57 175.10 1kj6 n ARG 14 N -3.35 0.31 0.00 5.19 1.85 -1.21 -5.13 116.66 114.32 1kj6 n ARG 14 Ca -0.22 -0.65 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 1kj6 n ARG 14 Cb 1.05 0.03 0.00 0.00 -1.05 0.00 0.00 32.46 32.49 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 -0.48 -0.66 0.00 2.89 0.00 -0.93 -4.90 105.19 101.10 1kj6 n GLY 15 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 3.05 -1.40 3.87 -0.02 0.00 -1.26 -4.81 105.19 104.62 1kj6 n GLY 16 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 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 0.94 2.23 0.03 1.61 1.70 -0.43 -4.98 118.95 120.05 1kj6 s ARG 17 Ca 0.00 -2.20 0.03 0.00 -0.47 0.00 0.00 55.73 53.09 1kj6 s ARG 17 Cb 0.00 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.48 1kj6 s ARG 17 CO 0.00 -0.59 -0.09 0.00 -1.08 0.00 0.00 175.30 173.54 1kj6 s ALA 19 N -0.90 3.43 0.01 0.00 0.00 -0.69 -4.95 121.76 118.66 1kj6 s ALA 19 Ca -0.03 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1kj6 s ALA 19 Cb -0.07 -1.23 -0.31 0.00 0.00 0.00 0.00 23.12 21.50 1kj6 s ALA 19 CO 0.01 0.52 0.89 0.28 0.00 0.00 0.00 175.76 177.45 1kj6 h VAL 20 N 2.25 1.18 0.00 0.00 2.07 -1.92 -3.26 116.25 116.57 1kj6 h VAL 20 Ca -0.47 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.33 1kj6 h VAL 20 Cb 1.20 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 1kj6 h VAL 20 CO 0.61 0.84 0.00 0.18 0.02 0.00 0.00 177.57 179.22 1kj6 n LEU 21 N -3.59 0.31 -4.39 2.57 4.32 -1.26 -4.20 117.00 110.76 1kj6 n LEU 21 Ca -0.18 0.19 -0.30 0.00 -0.02 0.00 0.00 56.01 55.70 1kj6 n LEU 21 Cb 1.07 0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.74 1kj6 n LEU 21 CO 0.55 -0.67 -0.54 -0.94 -1.22 0.00 0.00 177.39 174.57 1kj6 s SER 22 N -5.14 3.41 1.22 -1.43 1.04 -1.26 -4.68 113.70 106.86 1kj6 s SER 22 Ca 0.00 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 1kj6 s SER 22 Cb 0.00 -0.40 0.26 0.00 0.10 0.00 0.00 66.02 65.98 1kj6 s SER 22 CO 0.00 0.25 0.68 0.00 0.98 0.00 0.00 173.24 175.15 1kj6 s LEU 24 N -5.43 4.45 0.48 0.00 2.01 -1.26 -4.96 118.68 113.97 1kj6 s LEU 24 Ca 0.63 0.94 0.31 0.00 0.01 0.00 0.00 54.13 56.02 1kj6 s LEU 24 Cb -0.19 -2.59 1.67 0.00 0.01 0.00 0.00 46.19 45.09 1kj6 s LEU 24 CO 0.62 0.29 1.93 -0.65 1.01 0.00 0.00 176.35 179.56 1kj6 h PRO 25 N 4.92 0.00 -0.56 1.29 0.11 -2.02 0.55 132.00 136.29 1kj6 h PRO 25 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1kj6 h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1kj6 h PRO 25 CO 0.63 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 1kj6 n LYS 26 N -2.61 2.48 -3.57 1.05 4.76 -1.26 -4.91 118.16 114.10 1kj6 n LYS 26 Ca -0.02 -1.96 -0.13 0.00 -2.87 0.00 0.00 58.31 53.32 1kj6 n LYS 26 Cb 0.10 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 1kj6 n LYS 26 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1kj6 s GLU 27 N -1.45 1.06 0.31 1.97 -1.05 0.18 -2.39 118.70 117.32 1kj6 s GLU 27 Ca 0.36 -0.29 0.07 0.00 -0.15 0.00 0.00 54.97 54.95 1kj6 s GLU 27 Cb 0.20 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.35 1kj6 s GLU 27 CO 0.22 -0.39 0.34 -1.83 0.95 0.00 0.00 175.26 174.54 1kj6 s GLU 28 N -2.66 2.98 0.00 -4.83 -1.05 -0.96 -4.35 118.70 107.83 1kj6 s GLU 28 Ca -0.04 -1.09 -0.21 0.00 -0.15 0.00 0.00 54.97 53.48 1kj6 s GLU 28 Cb -0.00 -2.65 -0.05 0.00 -0.44 0.00 0.00 34.13 30.98 1kj6 s GLU 28 CO -0.03 0.19 0.62 -1.14 0.95 0.00 0.00 175.26 175.85 1kj6 s GLN 29 N -4.02 4.34 0.00 -4.83 0.74 -1.25 -0.70 119.66 113.94 1kj6 s GLN 29 Ca 0.40 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.59 1kj6 s GLN 29 Cb -0.08 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1kj6 s GLN 29 CO 0.28 0.35 0.00 0.44 -0.55 0.00 0.00 175.29 175.81 1kj6 n ILE 30 N 2.76 0.00 -3.34 -2.34 -5.35 -0.34 -4.96 119.36 105.79 1kj6 n ILE 30 Ca -0.06 -0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.38 1kj6 n ILE 30 Cb 0.51 0.39 0.01 0.00 -1.74 0.00 0.00 39.64 38.81 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 1.92 1.78 3.21 3.28 0.00 -1.25 -4.73 105.19 109.40 1kj6 n GLY 31 Ca 0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.06 2.70 0.47 1.61 1.02 -1.26 -0.87 119.74 121.35 1kj6 s LYS 32 Ca 0.06 -1.08 0.32 0.00 0.02 0.00 0.00 55.97 55.29 1kj6 s LYS 32 Cb -0.02 -3.12 1.63 0.00 -0.52 0.00 0.00 37.83 35.81 1kj6 s LYS 32 CO 0.05 -0.50 1.97 0.00 -0.92 0.00 0.00 175.35 175.95 1kj6 n SER 34 N -2.66 0.00 0.00 0.00 2.88 -1.26 -4.93 113.62 107.65 1kj6 n SER 34 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1kj6 n SER 34 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1kj6 n SER 34 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kj6 n THR 35 N 0.00 0.00 -0.72 2.46 -2.24 -1.26 -4.99 114.28 107.53 1kj6 n THR 35 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kj6 n THR 35 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1kj6 n THR 35 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1kj6 n ARG 36 N -1.97 0.00 -0.05 -0.78 1.85 -1.26 -5.00 116.66 109.45 1kj6 n ARG 36 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 1kj6 n ARG 36 Cb 0.10 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.50 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1kj6 h GLY 37 N 0.00 0.00 -1.77 2.89 0.00 -1.94 -3.48 103.07 98.77 1kj6 h GLY 37 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1kj6 h GLY 37 CO 0.00 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 177.02 1kj6 s ARG 38 N -1.61 2.29 0.28 4.80 0.52 -1.26 -4.49 118.95 119.48 1kj6 s ARG 38 Ca -0.02 -1.03 -0.09 0.00 -0.52 0.00 0.00 55.73 54.08 1kj6 s ARG 38 Cb 0.00 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.98 1kj6 s ARG 38 CO 0.03 -0.90 0.48 0.15 0.02 0.00 0.00 175.30 175.07 1kj6 s LYS 39 N -4.82 1.69 -0.13 3.54 3.01 -1.23 -3.55 119.74 118.25 1kj6 s LYS 39 Ca 0.60 -1.45 -0.01 0.00 -1.01 0.00 0.00 55.97 54.11 1kj6 s LYS 39 Cb -0.08 0.46 -0.02 0.00 -1.01 0.00 0.00 37.83 37.18 1kj6 s LYS 39 CO 0.40 -0.70 -0.10 0.00 0.51 0.00 0.00 175.35 175.45 1kj6 s ARG 42 N 0.11 3.46 0.36 0.00 1.04 0.12 -1.31 118.95 122.72 1kj6 s ARG 42 Ca -0.08 -0.60 -0.27 0.00 -1.04 0.00 0.00 55.73 53.74 1kj6 s ARG 42 Cb -0.14 -2.99 -0.12 0.00 -2.04 0.00 0.00 34.95 29.66 1kj6 s ARG 42 CO 0.04 -0.08 1.14 -2.13 -0.04 0.00 0.00 175.30 174.24 1kj6 n ARG 43 N 4.47 1.71 -1.14 3.89 0.63 -1.26 -2.27 116.66 122.68 1kj6 n ARG 43 Ca -0.18 0.60 -0.31 0.00 -0.92 0.00 0.00 57.85 57.05 1kj6 n ARG 43 Cb 0.51 -2.13 0.11 0.00 0.45 0.00 0.00 32.46 31.40 1kj6 n ARG 43 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1kj6 s LYS 44 N -1.86 1.92 0.00 -0.14 3.01 -1.01 -4.91 119.74 116.75 1kj6 s LYS 44 Ca 0.59 1.22 0.01 0.00 -1.01 0.00 0.00 55.97 56.78 1kj6 s LYS 44 Cb -0.59 -1.85 0.07 0.00 -1.01 0.00 0.00 37.83 34.44 1kj6 s LYS 44 CO 0.60 -1.90 0.56 0.36 0.51 0.00 0.00 175.35 175.49