#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 0.02 -0.20 -0.61 2.07 -1.26 -5.14 121.20 116.09 1kj6 s ILE 2 Ca 0.00 -0.19 -0.23 0.00 -1.41 0.00 0.00 60.65 58.83 1kj6 s ILE 2 Cb 0.00 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 1kj6 s ILE 2 CO 0.00 -0.10 0.71 -0.63 -1.91 0.00 0.00 174.94 173.01 1kj6 s ILE 3 N -0.41 4.95 0.00 2.00 1.01 -1.26 -4.88 121.20 122.62 1kj6 s ILE 3 Ca -0.05 1.36 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1kj6 s ILE 3 Cb -0.03 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1kj6 s ILE 3 CO 0.02 0.06 0.00 0.59 0.00 0.00 0.00 174.94 175.61 1kj6 n ASN 4 N 5.27 4.28 -4.00 3.58 3.02 -1.26 -5.06 115.26 121.08 1kj6 n ASN 4 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1kj6 n ASN 4 Cb 0.49 0.74 -0.12 0.00 -0.61 0.00 0.00 39.78 40.28 1kj6 n ASN 4 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kj6 s THR 5 N -1.75 0.39 -0.53 3.41 2.01 -1.26 -5.05 115.64 112.85 1kj6 s THR 5 Ca 0.00 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1kj6 s THR 5 Cb 0.00 -0.43 0.45 0.00 0.01 0.00 0.00 72.50 72.53 1kj6 s THR 5 CO 0.00 -0.23 1.70 0.00 -0.69 0.00 0.00 174.62 175.40 1kj6 n LEU 6 N 2.03 6.61 0.00 4.42 -0.00 -1.26 -4.68 117.00 124.12 1kj6 n LEU 6 Ca -0.19 -4.51 0.04 0.00 -0.00 0.00 0.00 56.01 51.35 1kj6 n LEU 6 Cb 0.56 -0.74 0.20 0.00 -0.00 0.00 0.00 43.42 43.44 1kj6 n LEU 6 CO 0.22 1.74 0.50 0.00 -0.00 0.00 0.00 177.39 179.86 1kj6 n GLN 7 N -0.81 0.16 0.14 1.47 6.02 -1.26 -0.79 117.38 122.30 1kj6 n GLN 7 Ca 0.55 0.13 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1kj6 n GLN 7 Cb 0.75 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.74 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 -0.02 -1.09 1.79 -1.95 -3.38 116.57 111.92 1kj6 h LYS 8 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1kj6 h LYS 8 Cb 0.04 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.50 1kj6 h LYS 8 CO 0.00 0.00 -0.43 2.48 -1.08 0.00 0.00 179.45 180.42 1kj6 n TYR 9 N -2.61 -0.42 0.01 -1.35 0.18 -0.44 -4.94 117.16 107.58 1kj6 n TYR 9 Ca 0.04 -0.88 -0.12 0.00 1.88 0.00 0.00 57.90 58.82 1kj6 n TYR 9 Cb 0.48 0.63 0.01 0.00 -0.38 0.00 0.00 39.34 40.08 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 0.52 0.75 -0.03 -3.48 5.03 -1.14 -2.77 116.97 115.85 1kj6 h TYR 10 Ca -0.47 -0.30 0.00 0.00 2.58 0.00 0.00 58.73 60.53 1kj6 h TYR 10 Cb 1.44 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.60 1kj6 h TYR 10 CO -0.07 1.07 0.00 0.00 -1.32 0.00 0.00 178.16 177.84 1kj6 n ARG 12 N -0.15 0.57 0.05 0.00 5.12 -1.05 -3.25 116.66 117.95 1kj6 n ARG 12 Ca 0.01 0.04 -0.06 0.00 -1.93 0.00 0.00 57.85 55.91 1kj6 n ARG 12 Cb 0.18 -1.15 -0.11 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.00 1.49 0.00 1.55 -1.51 -1.51 -3.38 116.25 112.88 1kj6 h VAL 13 Ca -0.16 -3.18 0.00 0.00 -1.23 0.00 0.00 66.70 62.12 1kj6 h VAL 13 Cb 1.27 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 33.16 1kj6 h VAL 13 CO -0.02 0.85 -0.38 0.54 -1.23 0.00 0.00 177.57 177.33 1kj6 n ARG 14 N -3.28 0.00 -1.80 5.19 1.74 -1.11 -5.10 116.66 112.30 1kj6 n ARG 14 Ca -0.03 -0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 55.87 1kj6 n ARG 14 Cb 0.94 -0.38 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 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 -0.75 1.42 0.00 -0.13 0.00 -1.20 -4.87 107.32 101.78 1kj6 s GLY 15 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1kj6 s GLY 15 CO 0.00 2.99 0.00 0.61 0.00 0.00 0.00 173.10 176.70 1kj6 n GLY 16 N 4.09 -0.28 3.42 0.20 0.00 -1.26 -4.87 105.19 106.48 1kj6 n GLY 16 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.03 1.76 0.04 1.61 1.70 -0.93 -5.01 118.95 118.08 1kj6 s ARG 17 Ca 0.00 -2.03 0.06 0.00 -0.47 0.00 0.00 55.73 53.28 1kj6 s ARG 17 Cb 0.00 -0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1kj6 s ARG 17 CO 0.00 -0.46 -0.16 0.00 -1.08 0.00 0.00 175.30 173.60 1kj6 s ALA 19 N -0.79 4.63 -0.17 0.00 0.00 -0.90 -4.96 121.76 119.56 1kj6 s ALA 19 Ca 0.04 -1.96 -0.25 0.00 0.00 0.00 0.00 51.96 49.79 1kj6 s ALA 19 Cb -0.08 -1.42 -0.23 0.00 0.00 0.00 0.00 23.12 21.39 1kj6 s ALA 19 CO 0.01 -0.67 0.50 0.28 0.00 0.00 0.00 175.76 175.88 1kj6 h VAL 20 N 0.36 1.33 0.00 0.00 2.07 -1.91 -3.38 116.25 114.73 1kj6 h VAL 20 Ca -0.33 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1kj6 h VAL 20 Cb 1.29 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1kj6 h VAL 20 CO 0.44 0.48 -0.37 -0.11 0.02 0.00 0.00 177.57 178.03 1kj6 n LEU 21 N -4.47 0.08 -4.36 2.57 0.00 -1.25 -4.15 117.00 105.42 1kj6 n LEU 21 Ca -0.21 0.07 -0.24 0.00 0.00 0.00 0.00 56.01 55.62 1kj6 n LEU 21 Cb 0.61 0.01 -0.12 0.00 0.00 0.00 0.00 43.42 43.93 1kj6 n LEU 21 CO 0.28 -0.37 -0.51 -0.94 0.00 0.00 0.00 177.39 175.85 1kj6 s SER 22 N -5.09 2.94 1.13 1.96 1.04 -1.26 -4.59 113.70 109.83 1kj6 s SER 22 Ca 0.00 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 1kj6 s SER 22 Cb 0.00 -0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.08 1kj6 s SER 22 CO 0.00 0.04 0.24 0.00 0.98 0.00 0.00 173.24 174.50 1kj6 s LEU 24 N -2.60 4.04 0.00 0.00 2.01 -1.26 -4.95 118.68 115.91 1kj6 s LEU 24 Ca 0.59 0.98 0.00 0.00 0.01 0.00 0.00 54.13 55.71 1kj6 s LEU 24 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.26 1kj6 s LEU 24 CO 0.66 -0.21 0.46 -0.81 1.01 0.00 0.00 176.35 177.47 1kj6 n PRO 25 N -0.67 0.68 -0.69 1.29 -0.04 -1.26 -2.56 135.00 131.75 1kj6 n PRO 25 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1kj6 n PRO 25 Cb 0.53 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.34 0.00 -3.60 0.54 5.02 -1.26 -5.12 118.16 114.08 1kj6 n LYS 26 Ca 0.00 -0.88 -0.10 0.00 -2.02 0.00 0.00 58.31 55.31 1kj6 n LYS 26 Cb 0.23 -0.21 -0.03 0.00 -0.02 0.00 0.00 35.03 35.00 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 1.35 0.24 1.97 -1.05 -1.06 -1.75 118.70 118.40 1kj6 s GLU 27 Ca 0.05 -0.69 0.08 0.00 -0.15 0.00 0.00 54.97 54.27 1kj6 s GLU 27 Cb 0.06 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.26 1kj6 s GLU 27 CO -0.03 -0.58 0.05 -1.83 0.95 0.00 0.00 175.26 173.82 1kj6 s GLU 28 N -3.82 2.48 0.10 -4.83 -1.05 -0.99 -4.56 118.70 106.03 1kj6 s GLU 28 Ca 0.05 -1.26 -0.19 0.00 -0.15 0.00 0.00 54.97 53.41 1kj6 s GLU 28 Cb -0.01 -2.30 -0.07 0.00 -0.44 0.00 0.00 34.13 31.31 1kj6 s GLU 28 CO -0.07 0.39 0.60 -1.14 0.95 0.00 0.00 175.26 175.99 1kj6 s GLN 29 N -3.57 4.21 -0.02 -4.83 0.74 -1.26 -0.34 119.66 114.59 1kj6 s GLN 29 Ca 0.31 0.76 0.04 0.00 0.05 0.00 0.00 55.36 56.52 1kj6 s GLN 29 Cb -0.07 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 1kj6 s GLN 29 CO 0.21 0.59 0.05 0.44 -0.55 0.00 0.00 175.29 176.03 1kj6 n ILE 30 N 1.51 0.15 0.00 -2.34 -0.00 -0.11 -4.96 119.36 113.61 1kj6 n ILE 30 Ca -0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1kj6 n ILE 30 Cb 0.51 -0.33 0.00 0.00 -0.00 0.00 0.00 39.64 39.82 1kj6 n ILE 30 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1kj6 n GLY 31 N 2.55 1.94 3.70 3.28 0.00 -1.25 -4.64 105.19 110.77 1kj6 n GLY 31 Ca -0.04 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 1kj6 n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kj6 n LYS 32 N -0.50 2.39 0.10 1.61 2.85 -1.26 -0.52 118.16 122.83 1kj6 n LYS 32 Ca 0.00 0.85 -0.23 0.00 -1.05 0.00 0.00 58.31 57.88 1kj6 n LYS 32 Cb 0.00 -2.62 -0.15 0.00 -0.65 0.00 0.00 35.03 31.61 1kj6 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kj6 n SER 34 N -3.64 0.00 -0.19 0.00 7.64 -1.26 -5.01 113.62 111.17 1kj6 n SER 34 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1kj6 n SER 34 Cb 1.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1kj6 n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kj6 n THR 35 N -0.24 0.00 0.95 0.44 -2.24 -1.26 -4.98 114.28 106.95 1kj6 n THR 35 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1kj6 n THR 35 Cb 0.00 -0.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.06 1.39 -0.04 -0.78 3.00 -1.26 -3.52 116.66 115.40 1kj6 n ARG 36 Ca 0.00 -0.34 -0.05 0.00 -0.01 0.00 0.00 57.85 57.46 1kj6 n ARG 36 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 30.92 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kj6 n GLY 37 N 0.16 -0.21 3.77 -0.13 0.00 -1.26 -5.05 105.19 102.47 1kj6 n GLY 37 Ca 0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.17 2.44 0.28 1.61 0.52 -1.23 -3.94 118.95 116.47 1kj6 s ARG 38 Ca -0.08 -1.53 -0.08 0.00 -0.52 0.00 0.00 55.73 53.51 1kj6 s ARG 38 Cb 0.03 -2.23 -0.00 0.00 0.52 0.00 0.00 34.95 33.26 1kj6 s ARG 38 CO 0.23 0.05 0.46 0.15 0.02 0.00 0.00 175.30 176.21 1kj6 s LYS 39 N -3.91 1.67 -0.24 3.54 3.01 -1.26 -3.67 119.74 118.87 1kj6 s LYS 39 Ca 0.40 -1.46 -0.06 0.00 -1.01 0.00 0.00 55.97 53.83 1kj6 s LYS 39 Cb -0.02 0.45 -0.02 0.00 -1.01 0.00 0.00 37.83 37.22 1kj6 s LYS 39 CO 0.24 -0.69 0.04 0.00 0.51 0.00 0.00 175.35 175.46 1kj6 s ARG 42 N -0.23 3.11 0.41 0.00 3.00 0.54 -2.18 118.95 123.60 1kj6 s ARG 42 Ca -0.00 -0.82 -0.23 0.00 -1.00 0.00 0.00 55.73 53.67 1kj6 s ARG 42 Cb -0.13 -3.21 -0.12 0.00 0.00 0.00 0.00 34.95 31.49 1kj6 s ARG 42 CO 0.03 -0.37 0.68 -2.13 0.00 0.00 0.00 175.30 173.50 1kj6 n ARG 43 N 4.81 0.76 -2.16 5.12 0.63 -1.26 -2.34 116.66 122.21 1kj6 n ARG 43 Ca -0.16 0.27 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 1kj6 n ARG 43 Cb 0.48 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 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 -1.67 4.12 0.00 -0.14 -0.14 -0.71 -4.87 119.74 116.32 1kj6 s LYS 44 Ca 0.63 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 57.15 1kj6 s LYS 44 Cb -0.61 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 31.62 1kj6 s LYS 44 CO 0.58 -0.89 0.16 1.63 -0.76 0.00 0.00 175.35 176.07