#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 4.90 0.09 -0.61 -1.09 -1.26 -5.09 121.20 118.15 1kj6 s ILE 2 Ca 0.00 0.97 0.06 0.00 -2.23 0.00 0.00 60.65 59.45 1kj6 s ILE 2 Cb 0.00 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1kj6 s ILE 2 CO 0.00 0.52 -0.04 0.27 -1.23 0.00 0.00 174.94 174.47 1kj6 s ILE 3 N -1.14 3.77 0.00 2.92 -5.25 -1.26 -5.08 121.20 115.16 1kj6 s ILE 3 Ca 0.28 -1.09 0.00 0.00 -0.99 0.00 0.00 60.65 58.85 1kj6 s ILE 3 Cb -0.18 -2.78 0.00 0.00 2.95 0.00 0.00 42.46 42.45 1kj6 s ILE 3 CO 0.16 0.12 0.00 0.59 -1.79 0.00 0.00 174.94 174.02 1kj6 n ASN 4 N 0.63 0.00 -4.67 4.36 3.02 -1.26 -4.91 115.26 112.43 1kj6 n ASN 4 Ca -0.12 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 1kj6 n ASN 4 Cb 0.52 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kj6 s THR 5 N -0.64 3.55 -0.06 3.41 -4.23 -1.26 -4.96 115.64 111.45 1kj6 s THR 5 Ca 0.00 0.81 -0.30 0.00 -1.18 0.00 0.00 61.69 61.02 1kj6 s THR 5 Cb 0.00 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1kj6 s THR 5 CO 0.00 -0.04 1.16 -1.48 -0.54 0.00 0.00 174.62 173.71 1kj6 s LEU 6 N 3.34 4.28 0.00 4.79 0.05 -1.26 -4.82 118.68 125.06 1kj6 s LEU 6 Ca 0.70 1.77 0.00 0.00 0.05 0.00 0.00 54.13 56.64 1kj6 s LEU 6 Cb -0.33 -3.56 0.00 0.00 -2.05 0.00 0.00 46.19 40.25 1kj6 s LEU 6 CO 0.28 -0.54 0.00 0.00 -0.55 0.00 0.00 176.35 175.54 1kj6 n GLN 7 N 5.05 3.98 0.00 1.48 -0.00 -1.26 -4.31 117.38 122.31 1kj6 n GLN 7 Ca 0.10 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.25 1kj6 n GLN 7 Cb 0.47 -0.37 0.77 0.00 -0.00 0.00 0.00 30.24 31.10 1kj6 n GLN 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1kj6 n LYS 8 N -0.08 0.74 -0.60 2.61 4.76 -1.26 -3.60 118.16 120.73 1kj6 n LYS 8 Ca 0.00 -0.11 -0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1kj6 n LYS 8 Cb 0.00 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.03 0.00 -0.06 2.13 4.11 -1.26 -4.91 117.16 116.14 1kj6 n TYR 9 Ca 0.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.90 58.00 1kj6 n TYR 9 Cb 0.22 0.16 0.27 0.00 -0.00 0.00 0.00 39.34 39.99 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 0.05 0.67 -0.03 -3.48 5.03 -1.75 -0.06 116.97 117.41 1kj6 h TYR 10 Ca -0.06 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1kj6 h TYR 10 Cb 1.21 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1kj6 h TYR 10 CO -0.14 0.58 0.00 0.00 -1.32 0.00 0.00 178.16 177.28 1kj6 n ARG 12 N -0.34 0.70 0.19 0.00 5.12 -0.09 -3.77 116.66 118.47 1kj6 n ARG 12 Ca 0.20 0.20 0.06 0.00 -1.93 0.00 0.00 57.85 56.38 1kj6 n ARG 12 Cb 0.23 -1.63 0.31 0.00 -1.16 0.00 0.00 32.46 30.21 1kj6 n ARG 12 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1kj6 h VAL 13 N 0.03 0.82 0.00 1.55 -1.51 -1.48 -3.45 116.25 112.21 1kj6 h VAL 13 Ca -0.48 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1kj6 h VAL 13 Cb 2.00 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 33.14 1kj6 h VAL 13 CO 0.01 0.36 0.00 -2.11 -1.23 0.00 0.00 177.57 174.60 1kj6 n ARG 14 N -3.45 0.00 0.00 5.19 1.85 -1.23 -5.15 116.66 113.87 1kj6 n ARG 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1kj6 n ARG 14 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -1.48 1.64 0.00 2.89 0.00 -1.15 -4.92 105.19 102.15 1kj6 n GLY 15 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 -1.76 3.60 -0.02 0.00 -1.26 -4.91 105.19 100.83 1kj6 n GLY 16 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 46.02 46.47 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 0.30 1.93 -0.03 1.61 1.70 -0.84 -4.98 118.95 118.64 1kj6 s ARG 17 Ca 0.00 -2.14 0.03 0.00 -0.47 0.00 0.00 55.73 53.15 1kj6 s ARG 17 Cb 0.00 -1.27 0.00 0.00 -0.57 0.00 0.00 34.95 33.11 1kj6 s ARG 17 CO 0.00 -0.22 -0.11 0.00 -1.08 0.00 0.00 175.30 173.89 1kj6 s ALA 19 N 0.15 4.13 -0.12 0.00 0.00 -1.06 -5.00 121.76 119.87 1kj6 s ALA 19 Ca -0.03 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 1kj6 s ALA 19 Cb -0.09 -1.37 -0.27 0.00 0.00 0.00 0.00 23.12 21.39 1kj6 s ALA 19 CO 0.01 -0.11 0.66 0.28 0.00 0.00 0.00 175.76 176.60 1kj6 h VAL 20 N 0.99 1.38 0.00 0.00 2.07 -1.90 -3.38 116.25 115.40 1kj6 h VAL 20 Ca -0.43 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.70 1kj6 h VAL 20 Cb 1.26 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1kj6 h VAL 20 CO 0.54 0.61 0.00 -0.11 0.02 0.00 0.00 177.57 178.63 1kj6 n LEU 21 N -4.27 0.00 -4.83 2.57 7.94 -1.26 -4.46 117.00 112.69 1kj6 n LEU 21 Ca -0.19 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.44 1kj6 n LEU 21 Cb 0.72 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.62 1kj6 n LEU 21 CO 0.37 -0.09 -0.20 -0.55 -1.11 0.00 0.00 177.39 175.82 1kj6 s SER 22 N -0.06 5.74 1.30 1.96 0.15 -1.26 -4.56 113.70 116.97 1kj6 s SER 22 Ca 0.00 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.44 1kj6 s SER 22 Cb 0.00 -1.58 0.31 0.00 -1.71 0.00 0.00 66.02 63.04 1kj6 s SER 22 CO 0.00 0.09 0.79 0.00 1.20 0.00 0.00 173.24 175.32 1kj6 s LEU 24 N -6.32 4.45 0.65 0.00 2.01 -1.26 -4.96 118.68 113.24 1kj6 s LEU 24 Ca 0.64 1.11 0.34 0.00 0.01 0.00 0.00 54.13 56.22 1kj6 s LEU 24 Cb -0.17 -2.81 1.84 0.00 0.01 0.00 0.00 46.19 45.06 1kj6 s LEU 24 CO 0.59 0.19 2.07 -0.65 1.01 0.00 0.00 176.35 179.57 1kj6 h PRO 25 N 5.23 0.00 -0.59 1.29 0.11 -2.02 0.13 132.00 136.16 1kj6 h PRO 25 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.67 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.09 1kj6 n LYS 26 N -3.17 2.73 -3.80 1.05 5.02 -1.26 -4.92 118.16 113.81 1kj6 n LYS 26 Ca -0.01 -1.92 -0.09 0.00 -2.02 0.00 0.00 58.31 54.28 1kj6 n LYS 26 Cb 0.31 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.67 1.50 0.35 1.97 -1.05 0.45 -2.50 118.70 117.74 1kj6 s GLU 27 Ca 0.35 -0.95 0.08 0.00 -0.15 0.00 0.00 54.97 54.30 1kj6 s GLU 27 Cb 0.21 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.39 1kj6 s GLU 27 CO 0.18 -0.65 0.09 -1.83 0.95 0.00 0.00 175.26 174.00 1kj6 s GLU 28 N -3.90 2.25 0.04 -4.83 -1.05 -1.06 -4.45 118.70 105.69 1kj6 s GLU 28 Ca 0.12 -1.65 -0.21 0.00 -0.15 0.00 0.00 54.97 53.08 1kj6 s GLU 28 Cb -0.02 -2.06 -0.06 0.00 -0.44 0.00 0.00 34.13 31.55 1kj6 s GLU 28 CO 0.01 0.10 0.61 -1.14 0.95 0.00 0.00 175.26 175.79 1kj6 s GLN 29 N -3.80 4.30 -0.00 -4.83 0.74 -1.25 0.07 119.66 114.89 1kj6 s GLN 29 Ca 0.37 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.56 1kj6 s GLN 29 Cb -0.01 -3.30 -0.00 0.00 1.10 0.00 0.00 33.01 30.80 1kj6 s GLN 29 CO 0.21 0.47 0.00 0.44 -0.55 0.00 0.00 175.29 175.87 1kj6 n ILE 30 N 2.30 0.00 -1.22 -2.34 -5.35 -0.22 -4.94 119.36 107.60 1kj6 n ILE 30 Ca -0.08 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1kj6 n ILE 30 Cb 0.51 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 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 2.58 2.53 2.67 3.28 0.00 -1.25 -4.74 105.19 110.27 1kj6 n GLY 31 Ca -0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1kj6 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kj6 s LYS 32 N 2.30 0.45 0.41 1.61 -2.85 -1.26 -1.70 119.74 118.71 1kj6 s LYS 32 Ca 0.00 -0.53 0.08 0.00 -1.00 0.00 0.00 55.97 54.52 1kj6 s LYS 32 Cb 0.00 -1.80 0.86 0.00 -2.06 0.00 0.00 37.83 34.82 1kj6 s LYS 32 CO 0.00 -0.82 2.01 0.00 0.10 0.00 0.00 175.35 176.65 1kj6 s SER 34 N -6.78 -0.08 -0.02 0.00 0.01 -1.26 -5.01 113.70 100.56 1kj6 s SER 34 Ca -0.07 0.09 0.12 0.00 1.31 0.00 0.00 55.95 57.41 1kj6 s SER 34 Cb 0.17 0.26 0.39 0.00 0.21 0.00 0.00 66.02 67.05 1kj6 s SER 34 CO 0.73 -0.17 1.30 0.35 0.41 0.00 0.00 173.24 175.86 1kj6 n THR 35 N 2.40 0.72 0.71 1.44 -2.24 -1.26 -2.89 114.28 113.16 1kj6 n THR 35 Ca -0.16 -0.61 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1kj6 n THR 35 Cb 0.58 0.19 0.10 0.00 -2.10 0.00 0.00 70.33 69.10 1kj6 n THR 35 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kj6 n ARG 36 N 0.70 0.20 0.00 -0.78 5.12 -1.26 -4.88 116.66 115.76 1kj6 n ARG 36 Ca 0.15 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1kj6 n ARG 36 Cb 0.43 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kj6 n GLY 37 N 1.40 0.16 3.28 -0.13 0.00 -1.25 -5.18 105.19 103.48 1kj6 n GLY 37 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1kj6 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kj6 s ARG 38 N 0.00 1.57 0.24 1.61 0.52 -1.14 -4.43 118.95 117.33 1kj6 s ARG 38 Ca 0.00 -1.89 -0.12 0.00 -0.52 0.00 0.00 55.73 53.20 1kj6 s ARG 38 Cb 0.00 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 1kj6 s ARG 38 CO 0.00 -0.53 0.45 0.15 0.02 0.00 0.00 175.30 175.39 1kj6 s LYS 39 N -3.73 1.52 -0.13 3.54 3.01 -1.26 -4.32 119.74 118.38 1kj6 s LYS 39 Ca 0.39 -1.28 -0.03 0.00 -1.01 0.00 0.00 55.97 54.04 1kj6 s LYS 39 Cb 0.04 0.46 -0.03 0.00 -1.01 0.00 0.00 37.83 37.28 1kj6 s LYS 39 CO 0.21 -0.62 0.00 0.00 0.51 0.00 0.00 175.35 175.45 1kj6 s ARG 42 N -3.02 0.79 0.43 0.00 6.06 0.11 -1.99 118.95 121.32 1kj6 s ARG 42 Ca 0.27 -0.83 -0.25 0.00 -2.50 0.00 0.00 55.73 52.41 1kj6 s ARG 42 Cb -0.08 -2.09 -0.10 0.00 0.06 0.00 0.00 34.95 32.74 1kj6 s ARG 42 CO 0.17 -0.82 1.27 -2.13 -2.50 0.00 0.00 175.30 171.28 1kj6 n ARG 43 N 4.90 1.91 -3.22 5.12 0.63 -1.26 -2.56 116.66 122.18 1kj6 n ARG 43 Ca -0.06 0.68 -0.19 0.00 -0.92 0.00 0.00 57.85 57.36 1kj6 n ARG 43 Cb 0.44 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 -2.22 2.66 0.00 -0.14 1.02 -1.04 -4.96 119.74 115.06 1kj6 s LYS 44 Ca 0.61 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1kj6 s LYS 44 Cb -0.51 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1kj6 s LYS 44 CO 0.58 -0.32 0.29 0.36 -0.92 0.00 0.00 175.35 175.34