#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 3.38 0.00 -0.61 -1.09 -1.26 -5.03 121.20 116.59 1kj6 s ILE 2 Ca 0.00 1.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1kj6 s ILE 2 Cb 0.00 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1kj6 s ILE 2 CO 0.00 0.21 0.04 -0.51 -1.23 0.00 0.00 174.94 173.46 1kj6 s ILE 3 N -0.29 4.45 -0.39 2.92 2.07 -1.26 -5.05 121.20 123.65 1kj6 s ILE 3 Ca 0.52 -0.52 0.10 0.00 -1.41 0.00 0.00 60.65 59.35 1kj6 s ILE 3 Cb -0.34 -3.02 0.33 0.00 0.13 0.00 0.00 42.46 39.56 1kj6 s ILE 3 CO 0.39 0.35 0.75 0.59 -1.91 0.00 0.00 174.94 175.11 1kj6 n ASN 4 N 1.24 0.20 0.00 4.50 3.02 -1.26 -4.86 115.26 118.10 1kj6 n ASN 4 Ca -0.14 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.36 1kj6 n ASN 4 Cb 0.53 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1kj6 n ASN 4 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1kj6 n THR 5 N 0.53 0.00 -1.10 3.41 5.66 -1.26 -4.79 114.28 116.73 1kj6 n THR 5 Ca 0.21 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.95 1kj6 n THR 5 Cb 0.64 0.17 0.10 0.00 -1.55 0.00 0.00 70.33 69.69 1kj6 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kj6 n LEU 6 N -0.62 6.95 0.00 1.09 -0.00 -1.26 -4.54 117.00 118.61 1kj6 n LEU 6 Ca 0.00 -3.75 0.04 0.00 -0.00 0.00 0.00 56.01 52.30 1kj6 n LEU 6 Cb 0.01 -0.93 0.26 0.00 -0.00 0.00 0.00 43.42 42.76 1kj6 n LEU 6 CO 0.00 1.25 0.51 0.00 -0.00 0.00 0.00 177.39 179.14 1kj6 n GLN 7 N -0.68 0.25 0.11 1.47 6.02 -1.26 -0.53 117.38 122.76 1kj6 n GLN 7 Ca 0.53 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.68 1kj6 n GLN 7 Cb 0.94 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 31.06 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 6.56 -1.93 -3.37 116.57 116.74 1kj6 h LYS 8 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1kj6 h LYS 8 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1kj6 h LYS 8 CO 0.00 0.00 -0.09 2.48 -2.06 0.00 0.00 179.45 179.78 1kj6 n TYR 9 N -2.33 0.00 0.21 -1.35 0.18 -0.56 -4.90 117.16 108.42 1kj6 n TYR 9 Ca 0.05 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.89 1kj6 n TYR 9 Cb 0.44 0.16 0.47 0.00 -0.38 0.00 0.00 39.34 40.04 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 0.00 0.00 -0.22 -3.48 5.03 -0.97 -0.04 116.97 117.29 1kj6 h TYR 10 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1kj6 h TYR 10 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.35 1kj6 h TYR 10 CO -0.14 0.26 0.00 0.00 -1.32 0.00 0.00 178.16 176.96 1kj6 n ARG 12 N 0.20 1.05 -0.06 0.00 5.12 -0.04 -2.46 116.66 120.47 1kj6 n ARG 12 Ca 0.11 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 1kj6 n ARG 12 Cb 0.23 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 29.95 1kj6 n ARG 12 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1kj6 n VAL 13 N -2.50 1.52 -2.23 1.55 0.24 -1.13 -4.60 118.33 111.18 1kj6 n VAL 13 Ca -0.21 -0.82 0.01 0.00 -2.04 0.00 0.00 64.34 61.28 1kj6 n VAL 13 Cb 0.90 -0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1kj6 n VAL 13 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1kj6 n ARG 14 N -2.93 0.00 -2.15 7.34 1.74 -1.12 -5.08 116.66 114.46 1kj6 n ARG 14 Ca -0.25 -1.35 -0.43 0.00 -0.77 0.00 0.00 57.85 55.05 1kj6 n ARG 14 Cb 1.10 -0.07 -0.03 0.00 -1.02 0.00 0.00 32.46 32.44 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1kj6 s GLY 15 N -1.35 0.86 0.00 -0.13 0.00 -1.03 -4.88 107.32 100.79 1kj6 s GLY 15 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1kj6 s GLY 15 CO -0.08 3.07 0.12 0.61 0.00 0.00 0.00 173.10 176.83 1kj6 n GLY 16 N 5.31 0.34 3.45 0.20 0.00 -1.26 -4.90 105.19 108.33 1kj6 n GLY 16 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.24 1.74 0.01 1.61 1.70 -0.62 -5.01 118.95 118.15 1kj6 s ARG 17 Ca 0.00 -2.01 0.04 0.00 -0.47 0.00 0.00 55.73 53.29 1kj6 s ARG 17 Cb 0.00 -0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 33.77 1kj6 s ARG 17 CO 0.00 -0.36 -0.12 0.00 -1.08 0.00 0.00 175.30 173.74 1kj6 s ALA 19 N -0.56 3.87 -0.14 0.00 0.00 -0.99 -4.96 121.76 118.98 1kj6 s ALA 19 Ca 0.02 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.53 1kj6 s ALA 19 Cb -0.06 -1.66 -0.25 0.00 0.00 0.00 0.00 23.12 21.15 1kj6 s ALA 19 CO 0.00 0.33 0.61 0.28 0.00 0.00 0.00 175.76 176.98 1kj6 h VAL 20 N 1.38 1.40 0.00 0.00 2.07 -1.95 -3.38 116.25 115.77 1kj6 h VAL 20 Ca -0.50 -2.34 -0.09 0.00 0.82 0.00 0.00 66.70 64.58 1kj6 h VAL 20 Cb 1.22 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 1kj6 h VAL 20 CO 0.63 0.57 -0.99 0.18 0.02 0.00 0.00 177.57 177.97 1kj6 n LEU 21 N -4.38 1.15 -3.93 2.57 4.32 -1.26 -4.53 117.00 110.95 1kj6 n LEU 21 Ca -0.19 0.18 -0.10 0.00 -0.02 0.00 0.00 56.01 55.88 1kj6 n LEU 21 Cb 0.65 -0.43 -0.10 0.00 -1.62 0.00 0.00 43.42 41.92 1kj6 n LEU 21 CO 0.33 -0.18 -0.26 -0.94 -1.22 0.00 0.00 177.39 175.12 1kj6 s SER 22 N -6.00 0.14 1.02 -1.43 1.04 -1.26 -4.51 113.70 102.71 1kj6 s SER 22 Ca -0.14 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 1kj6 s SER 22 Cb 0.04 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.45 1kj6 s SER 22 CO 0.19 -0.36 0.68 0.00 0.98 0.00 0.00 173.24 174.73 1kj6 s LEU 24 N -4.05 4.45 0.41 0.00 1.43 -1.26 -4.96 118.68 114.69 1kj6 s LEU 24 Ca 0.62 0.95 0.28 0.00 -1.03 0.00 0.00 54.13 54.95 1kj6 s LEU 24 Cb -0.21 -2.70 1.50 0.00 0.03 0.00 0.00 46.19 44.82 1kj6 s LEU 24 CO 0.64 0.29 1.86 -0.65 0.23 0.00 0.00 176.35 178.71 1kj6 h PRO 25 N 4.46 0.00 -0.31 1.29 0.11 -2.02 0.31 132.00 135.84 1kj6 h PRO 25 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 -2.49 1.95 -3.75 1.05 4.76 -1.26 -4.87 118.16 113.56 1kj6 n LYS 26 Ca -0.02 -1.46 -0.13 0.00 -2.87 0.00 0.00 58.31 53.84 1kj6 n LYS 26 Cb 0.05 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 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 -1.59 0.52 0.30 1.97 -1.05 0.10 -2.46 118.70 116.48 1kj6 s GLU 27 Ca 0.32 0.24 -0.01 0.00 -0.15 0.00 0.00 54.97 55.36 1kj6 s GLU 27 Cb 0.17 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1kj6 s GLU 27 CO 0.24 -0.10 0.52 -1.83 0.95 0.00 0.00 175.26 175.04 1kj6 s GLU 28 N -0.39 3.54 0.08 -4.83 -1.05 -0.91 -4.35 118.70 110.79 1kj6 s GLU 28 Ca -0.05 -0.23 -0.19 0.00 -0.15 0.00 0.00 54.97 54.36 1kj6 s GLU 28 Cb -0.03 -2.69 -0.07 0.00 -0.44 0.00 0.00 34.13 30.90 1kj6 s GLU 28 CO 0.02 0.22 0.56 -1.14 0.95 0.00 0.00 175.26 175.87 1kj6 s GLN 29 N -3.87 4.17 0.00 -4.83 0.74 -1.25 -0.49 119.66 114.12 1kj6 s GLN 29 Ca 0.41 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.52 1kj6 s GLN 29 Cb -0.10 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1kj6 s GLN 29 CO 0.33 0.62 0.00 0.44 -0.55 0.00 0.00 175.29 176.13 1kj6 n ILE 30 N 1.60 0.00 -2.25 -2.34 -5.35 -0.08 -4.97 119.36 105.96 1kj6 n ILE 30 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1kj6 n ILE 30 Cb 0.51 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 2.57 2.28 3.08 3.28 0.00 -1.25 -4.87 105.19 110.28 1kj6 n GLY 31 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 1.08 2.53 0.00 1.61 1.02 -1.26 -1.84 119.74 122.88 1kj6 s LYS 32 Ca 0.00 -1.07 0.12 0.00 0.02 0.00 0.00 55.97 55.04 1kj6 s LYS 32 Cb 0.00 -2.70 0.53 0.00 -0.52 0.00 0.00 37.83 35.14 1kj6 s LYS 32 CO 0.00 -0.40 1.36 0.00 -0.92 0.00 0.00 175.35 175.39 1kj6 n SER 34 N -1.45 0.00 0.00 0.00 3.41 -1.26 -4.98 113.62 109.34 1kj6 n SER 34 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1kj6 n SER 34 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1kj6 n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1kj6 n THR 35 N -0.55 0.00 0.32 6.66 -2.24 -1.26 -5.01 114.28 112.20 1kj6 n THR 35 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1kj6 n THR 35 Cb 0.00 0.00 1.09 0.00 -2.10 0.00 0.00 70.33 69.32 1kj6 n THR 35 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1kj6 h ARG 36 N 0.00 0.00 0.00 -0.78 0.11 -2.01 -3.22 114.38 108.48 1kj6 h ARG 36 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1kj6 h ARG 36 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1kj6 h ARG 36 CO 0.00 0.01 -0.00 0.78 0.10 0.00 0.00 179.97 180.86 1kj6 h GLY 37 N 0.39 -0.00 -1.99 0.08 0.00 -1.95 -3.46 103.07 96.13 1kj6 h GLY 37 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.86 1kj6 h GLY 37 CO 0.00 -0.00 0.05 0.50 0.00 0.00 0.00 176.54 177.09 1kj6 s ARG 38 N -2.03 3.19 0.32 4.80 0.52 -1.22 -4.61 118.95 119.91 1kj6 s ARG 38 Ca -0.00 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.01 1kj6 s ARG 38 Cb 0.00 -2.42 0.01 0.00 0.52 0.00 0.00 34.95 33.06 1kj6 s ARG 38 CO 0.00 -0.36 0.52 0.15 0.02 0.00 0.00 175.30 175.63 1kj6 s LYS 39 N -4.73 1.83 -0.23 3.54 3.01 -1.26 -3.96 119.74 117.94 1kj6 s LYS 39 Ca 0.49 -1.53 -0.06 0.00 -1.01 0.00 0.00 55.97 53.86 1kj6 s LYS 39 Cb -0.10 0.48 -0.02 0.00 -1.01 0.00 0.00 37.83 37.17 1kj6 s LYS 39 CO 0.42 -0.78 0.03 0.00 0.51 0.00 0.00 175.35 175.54 1kj6 s ARG 42 N -0.88 2.89 0.21 0.00 1.04 0.36 -1.59 118.95 120.99 1kj6 s ARG 42 Ca 0.12 -0.81 -0.32 0.00 -1.04 0.00 0.00 55.73 53.68 1kj6 s ARG 42 Cb -0.10 -2.34 -0.14 0.00 -2.04 0.00 0.00 34.95 30.33 1kj6 s ARG 42 CO 0.01 -0.02 1.43 -2.13 -0.04 0.00 0.00 175.30 174.56 1kj6 n ARG 43 N 4.07 1.98 -4.10 3.89 0.63 -1.26 -2.14 116.66 119.73 1kj6 n ARG 43 Ca -0.20 0.71 -0.12 0.00 -0.92 0.00 0.00 57.85 57.32 1kj6 n ARG 43 Cb 0.51 -2.38 -0.11 0.00 0.45 0.00 0.00 32.46 30.94 1kj6 n ARG 43 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1kj6 s LYS 44 N -0.07 0.65 0.00 -0.14 0.00 -1.03 -4.93 119.74 114.23 1kj6 s LYS 44 Ca 0.71 -1.01 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1kj6 s LYS 44 Cb -0.68 -0.22 0.00 0.00 0.00 0.00 0.00 37.83 36.93 1kj6 s LYS 44 CO 0.47 0.01 0.35 0.36 0.00 0.00 0.00 175.35 176.54