#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 0.06 -0.61 2.07 -1.26 -5.18 121.20 116.28 1kj6 s ILE 2 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1kj6 s ILE 2 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1kj6 s ILE 2 CO 0.00 0.00 -0.14 -0.51 -1.91 0.00 0.00 174.94 172.38 1kj6 s ILE 3 N -0.60 1.13 -0.09 2.00 1.10 -1.26 -5.07 121.20 118.41 1kj6 s ILE 3 Ca -0.04 -1.19 -0.19 0.00 -0.51 0.00 0.00 60.65 58.71 1kj6 s ILE 3 Cb -0.02 -1.06 -0.16 0.00 0.15 0.00 0.00 42.46 41.37 1kj6 s ILE 3 CO 0.04 -0.13 0.67 -1.13 -2.11 0.00 0.00 174.94 172.28 1kj6 h ASN 4 N 4.53 -0.08 -5.06 4.50 -0.73 -2.10 -3.48 115.58 113.16 1kj6 h ASN 4 Ca -0.40 -0.49 -0.06 0.00 1.87 0.00 0.00 56.30 57.22 1kj6 h ASN 4 Cb 1.19 0.02 -0.14 0.00 0.27 0.00 0.00 38.32 39.66 1kj6 h ASN 4 CO 0.42 0.60 -0.06 -0.89 -0.37 0.00 0.00 177.43 177.12 1kj6 s THR 5 N -2.68 0.06 -0.31 -3.57 2.01 -1.26 -5.07 115.64 104.82 1kj6 s THR 5 Ca -0.12 -0.50 0.09 0.00 0.31 0.00 0.00 61.69 61.47 1kj6 s THR 5 Cb -0.01 -1.08 0.46 0.00 0.01 0.00 0.00 72.50 71.88 1kj6 s THR 5 CO 0.45 -0.27 1.16 0.00 -0.69 0.00 0.00 174.62 175.27 1kj6 n LEU 6 N 0.03 4.41 0.00 4.42 -0.00 -1.26 -4.79 117.00 119.82 1kj6 n LEU 6 Ca -0.17 -4.59 0.05 0.00 -0.00 0.00 0.00 56.01 51.29 1kj6 n LEU 6 Cb 0.62 -0.24 0.27 0.00 -0.00 0.00 0.00 43.42 44.07 1kj6 n LEU 6 CO 0.18 1.99 0.55 0.00 -0.00 0.00 0.00 177.39 180.11 1kj6 n GLN 7 N -0.64 0.22 0.11 1.47 6.02 -1.26 -0.55 117.38 122.75 1kj6 n GLN 7 Ca 0.38 0.10 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 1kj6 n GLN 7 Cb 0.90 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.97 1kj6 n GLN 7 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1kj6 h LYS 8 N 0.00 0.00 0.00 -1.09 1.79 -1.92 -3.30 116.57 112.05 1kj6 h LYS 8 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1kj6 h LYS 8 Cb 0.04 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.59 1kj6 h LYS 8 CO 0.00 0.00 -0.32 2.48 -1.08 0.00 0.00 179.45 180.53 1kj6 n TYR 9 N -2.32 0.00 0.26 -1.35 0.18 -0.59 -4.92 117.16 108.41 1kj6 n TYR 9 Ca 0.05 -0.27 0.08 0.00 1.88 0.00 0.00 57.90 59.64 1kj6 n TYR 9 Cb 0.45 0.26 0.64 0.00 -0.38 0.00 0.00 39.34 40.30 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 0.00 0.00 -3.48 5.03 -0.98 -0.00 116.97 117.67 1kj6 h TYR 10 Ca -0.26 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.04 1kj6 h TYR 10 Cb 1.33 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.61 1kj6 h TYR 10 CO -0.14 0.02 -0.54 0.00 -1.32 0.00 0.00 178.16 176.17 1kj6 h ARG 12 N 0.00 0.27 -0.43 0.00 2.47 -1.43 -3.32 114.38 111.94 1kj6 h ARG 12 Ca -0.01 -0.42 -0.06 0.00 -1.26 0.00 0.00 59.98 58.23 1kj6 h ARG 12 Cb 1.05 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1kj6 h ARG 12 CO 0.01 1.17 0.00 -0.39 0.56 0.00 0.00 179.97 181.32 1kj6 h VAL 13 N -0.42 1.23 0.00 2.04 -1.51 -1.29 -3.46 116.25 112.84 1kj6 h VAL 13 Ca -0.11 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1kj6 h VAL 13 Cb 1.48 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1kj6 h VAL 13 CO 0.12 0.32 0.00 -2.11 -1.23 0.00 0.00 177.57 174.67 1kj6 n ARG 14 N -4.24 0.00 0.00 5.19 1.85 -1.19 -5.13 116.66 113.14 1kj6 n ARG 14 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1kj6 n ARG 14 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 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 -1.34 3.37 0.00 2.89 0.00 -0.54 -4.80 105.19 104.77 1kj6 n GLY 15 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.61 3.25 -0.02 0.00 -1.26 -4.89 105.19 100.66 1kj6 n GLY 16 Ca 0.00 0.64 -0.21 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 0.00 1.04 -0.07 1.61 1.70 -0.57 -5.01 118.95 117.65 1kj6 s ARG 17 Ca 0.00 -1.15 0.03 0.00 -0.47 0.00 0.00 55.73 54.14 1kj6 s ARG 17 Cb 0.00 -1.12 -0.02 0.00 -0.57 0.00 0.00 34.95 33.24 1kj6 s ARG 17 CO 0.00 0.25 -0.14 0.00 -1.08 0.00 0.00 175.30 174.32 1kj6 s ALA 19 N -0.50 3.89 0.06 0.00 0.00 -1.01 -4.99 121.76 119.21 1kj6 s ALA 19 Ca 0.07 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1kj6 s ALA 19 Cb -0.12 -1.86 -0.24 0.00 0.00 0.00 0.00 23.12 20.90 1kj6 s ALA 19 CO 0.02 0.37 1.07 0.28 0.00 0.00 0.00 175.76 177.49 1kj6 h VAL 20 N 1.39 1.42 0.00 0.00 2.07 -1.91 -3.32 116.25 115.89 1kj6 h VAL 20 Ca -0.49 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 63.91 1kj6 h VAL 20 Cb 1.21 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1kj6 h VAL 20 CO 0.66 0.85 0.00 -0.11 0.02 0.00 0.00 177.57 178.99 1kj6 n LEU 21 N -3.36 0.01 -4.47 2.57 -0.00 -1.21 -4.32 117.00 106.23 1kj6 n LEU 21 Ca -0.08 0.02 -0.28 0.00 -0.00 0.00 0.00 56.01 55.67 1kj6 n LEU 21 Cb 0.99 0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 44.31 1kj6 n LEU 21 CO 0.49 -0.51 -0.50 -0.55 -0.00 0.00 0.00 177.39 176.31 1kj6 s SER 22 N -4.45 3.70 1.17 1.96 0.15 -1.26 -4.37 113.70 110.59 1kj6 s SER 22 Ca 0.00 -0.71 -0.17 0.00 0.70 0.00 0.00 55.95 55.76 1kj6 s SER 22 Cb 0.00 -0.42 0.19 0.00 -1.71 0.00 0.00 66.02 64.08 1kj6 s SER 22 CO 0.00 0.14 0.37 0.00 1.20 0.00 0.00 173.24 174.95 1kj6 s LEU 24 N -3.38 4.34 0.00 0.00 2.01 -1.26 -4.96 118.68 115.43 1kj6 s LEU 24 Ca 0.59 0.93 0.00 0.00 0.01 0.00 0.00 54.13 55.65 1kj6 s LEU 24 Cb -0.15 -3.15 0.00 0.00 0.01 0.00 0.00 46.19 42.90 1kj6 s LEU 24 CO 0.63 0.13 0.52 -0.81 1.01 0.00 0.00 176.35 177.83 1kj6 n PRO 25 N 0.80 0.60 -0.25 1.29 -0.04 -1.26 -2.22 135.00 133.92 1kj6 n PRO 25 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1kj6 n PRO 25 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1kj6 n PRO 25 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kj6 n LYS 26 N 0.57 0.00 -3.81 0.54 5.02 -1.26 -5.11 118.16 114.11 1kj6 n LYS 26 Ca 0.00 -0.49 -0.11 0.00 -2.02 0.00 0.00 58.31 55.68 1kj6 n LYS 26 Cb 0.26 -0.33 -0.08 0.00 -0.02 0.00 0.00 35.03 34.86 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 0.00 0.70 0.09 1.97 1.03 -0.94 -2.24 118.70 119.31 1kj6 s GLU 27 Ca 0.00 -0.52 0.01 0.00 0.03 0.00 0.00 54.97 54.49 1kj6 s GLU 27 Cb 0.00 0.30 -0.04 0.00 -0.80 0.00 0.00 34.13 33.59 1kj6 s GLU 27 CO 0.00 -0.21 0.24 -2.00 -1.33 0.00 0.00 175.26 171.97 1kj6 s GLU 28 N -2.30 3.45 0.14 -4.83 2.56 -0.72 -4.60 118.70 112.40 1kj6 s GLU 28 Ca -0.07 -0.47 -0.18 0.00 0.00 0.00 0.00 54.97 54.26 1kj6 s GLU 28 Cb -0.02 -3.00 -0.07 0.00 2.00 0.00 0.00 34.13 33.03 1kj6 s GLU 28 CO -0.02 0.57 0.60 -1.14 -0.56 0.00 0.00 175.26 174.71 1kj6 s GLN 29 N -2.75 4.13 0.00 4.30 0.74 -1.26 -0.76 119.66 124.06 1kj6 s GLN 29 Ca 0.35 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.44 1kj6 s GLN 29 Cb -0.12 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1kj6 s GLN 29 CO 0.28 0.52 0.00 0.44 -0.55 0.00 0.00 175.29 175.98 1kj6 n ILE 30 N 1.11 0.00 -3.96 -2.34 -5.35 0.11 -4.97 119.36 103.96 1kj6 n ILE 30 Ca -0.06 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.43 1kj6 n ILE 30 Cb 0.51 0.19 0.01 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 2.35 0.35 3.76 3.28 0.00 -1.25 -4.71 105.19 108.98 1kj6 n GLY 31 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.02 4.20 -0.07 1.61 1.02 -1.24 -0.03 119.74 123.21 1kj6 s LYS 32 Ca 0.26 0.43 -0.15 0.00 0.02 0.00 0.00 55.97 56.53 1kj6 s LYS 32 Cb -0.01 -3.36 -0.30 0.00 -0.52 0.00 0.00 37.83 33.65 1kj6 s LYS 32 CO 0.01 0.36 0.67 0.00 -0.92 0.00 0.00 175.35 175.47 1kj6 n SER 34 N -3.82 0.00 0.00 0.00 3.41 -1.26 -4.95 113.62 107.00 1kj6 n SER 34 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1kj6 n SER 34 Cb 0.97 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1kj6 n SER 34 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1kj6 n THR 35 N -1.61 0.00 -0.60 6.66 5.66 -1.26 -4.98 114.28 118.14 1kj6 n THR 35 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kj6 n THR 35 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kj6 n THR 35 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1kj6 n ARG 36 N -0.52 0.00 -0.00 1.09 1.85 -1.26 -4.95 116.66 112.87 1kj6 n ARG 36 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 1kj6 n ARG 36 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kj6 n GLY 37 N 0.00 -0.74 3.34 2.89 0.00 -1.26 -5.01 105.19 104.41 1kj6 n GLY 37 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.98 1.42 0.28 1.61 0.52 -1.26 -3.35 118.95 115.20 1kj6 s ARG 38 Ca -0.01 -1.76 -0.10 0.00 -0.52 0.00 0.00 55.73 53.35 1kj6 s ARG 38 Cb 0.12 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1kj6 s ARG 38 CO 0.73 -0.22 0.49 0.15 0.02 0.00 0.00 175.30 176.47 1kj6 s LYS 39 N -3.96 1.69 -0.28 3.54 1.02 -1.25 -3.30 119.74 117.20 1kj6 s LYS 39 Ca 0.35 -1.42 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 1kj6 s LYS 39 Cb 0.07 0.47 0.04 0.00 -0.52 0.00 0.00 37.83 37.89 1kj6 s LYS 39 CO 0.12 -0.71 -0.03 0.00 -0.92 0.00 0.00 175.35 173.82 1kj6 s ARG 42 N 0.03 3.26 -0.46 0.00 1.04 0.06 -1.51 118.95 121.36 1kj6 s ARG 42 Ca -0.08 -0.72 -0.45 0.00 -1.04 0.00 0.00 55.73 53.45 1kj6 s ARG 42 Cb -0.15 -2.56 -0.19 0.00 -2.04 0.00 0.00 34.95 30.01 1kj6 s ARG 42 CO 0.05 0.25 1.75 0.54 -0.04 0.00 0.00 175.30 177.84 1kj6 n ARG 43 N 3.41 0.22 -2.97 3.89 1.74 -1.26 -1.76 116.66 119.93 1kj6 n ARG 43 Ca -0.18 0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 1kj6 n ARG 43 Cb 0.53 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1kj6 n ARG 43 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1kj6 s LYS 44 N 3.77 3.55 0.00 5.56 0.00 -0.95 -4.85 119.74 126.82 1kj6 s LYS 44 Ca 1.07 0.03 0.00 0.00 0.00 0.00 0.00 55.97 57.07 1kj6 s LYS 44 Cb -1.41 -2.50 0.00 0.00 0.00 0.00 0.00 37.83 33.92 1kj6 s LYS 44 CO 0.75 -0.03 0.36 1.63 0.00 0.00 0.00 175.35 178.06