#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 5.12 0.04 -0.61 2.07 -1.26 -5.10 121.20 121.45 1kj6 s ILE 2 Ca 0.00 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 1kj6 s ILE 2 Cb 0.00 -3.23 -0.03 0.00 0.13 0.00 0.00 42.46 39.33 1kj6 s ILE 2 CO 0.00 0.58 -0.00 -0.51 -1.91 0.00 0.00 174.94 173.10 1kj6 s ILE 3 N -0.68 0.16 -0.12 2.00 2.07 -1.26 -5.09 121.20 118.28 1kj6 s ILE 3 Ca 0.12 -1.35 -0.09 0.00 -1.41 0.00 0.00 60.65 57.92 1kj6 s ILE 3 Cb -0.12 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 1kj6 s ILE 3 CO 0.02 -0.74 -0.18 0.59 -1.91 0.00 0.00 174.94 172.72 1kj6 n ASN 4 N 0.76 1.52 0.00 4.50 3.02 -1.26 -5.04 115.26 118.75 1kj6 n ASN 4 Ca -0.18 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1kj6 n ASN 4 Cb 0.58 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -4.18 0.00 -2.62 3.41 -1.04 -1.26 -5.06 114.28 103.53 1kj6 n THR 5 Ca -0.07 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 1kj6 n THR 5 Cb 0.27 -0.02 0.06 0.00 -1.82 0.00 0.00 70.33 68.83 1kj6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kj6 n LEU 6 N -0.96 -1.05 0.00 -4.42 -0.00 -1.26 -4.96 117.00 104.35 1kj6 n LEU 6 Ca 0.00 -2.36 0.03 0.00 -0.00 0.00 0.00 56.01 53.69 1kj6 n LEU 6 Cb 0.00 0.48 0.19 0.00 -0.00 0.00 0.00 43.42 44.09 1kj6 n LEU 6 CO 0.00 1.43 0.51 0.00 -0.00 0.00 0.00 177.39 179.33 1kj6 n GLN 7 N -0.76 0.14 0.12 1.47 6.02 -1.26 -0.60 117.38 122.51 1kj6 n GLN 7 Ca -0.12 0.15 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 1kj6 n GLN 7 Cb 0.72 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.94 -3.32 116.57 116.78 1kj6 h LYS 8 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1kj6 h LYS 8 Cb 0.04 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 31.54 1kj6 h LYS 8 CO 0.00 0.00 -0.42 2.48 -2.06 0.00 0.00 179.45 179.45 1kj6 n TYR 9 N -2.46 0.00 0.24 -1.35 0.18 -0.44 -4.91 117.16 108.42 1kj6 n TYR 9 Ca 0.05 -0.40 0.10 0.00 1.88 0.00 0.00 57.90 59.52 1kj6 n TYR 9 Cb 0.46 0.29 0.62 0.00 -0.38 0.00 0.00 39.34 40.33 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 0.22 0.00 -0.02 -3.48 5.03 -1.02 -0.42 116.97 117.28 1kj6 h TYR 10 Ca -0.38 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1kj6 h TYR 10 Cb 1.46 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.74 1kj6 h TYR 10 CO -0.11 0.17 0.00 0.00 -1.32 0.00 0.00 178.16 176.91 1kj6 n ARG 12 N -0.13 0.68 0.06 0.00 3.00 -0.18 -2.29 116.66 117.79 1kj6 n ARG 12 Ca 0.20 0.11 -0.16 0.00 -0.00 0.00 0.00 57.85 58.00 1kj6 n ARG 12 Cb 0.28 -1.59 -0.14 0.00 0.00 0.00 0.00 32.46 31.01 1kj6 n ARG 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1kj6 h VAL 13 N 0.01 1.23 -0.14 5.15 -1.51 -1.58 -3.41 116.25 115.99 1kj6 h VAL 13 Ca -0.50 -2.87 -0.22 0.00 -1.23 0.00 0.00 66.70 61.88 1kj6 h VAL 13 Cb 2.11 2.78 -0.19 0.00 -2.13 0.00 0.00 31.29 33.85 1kj6 h VAL 13 CO 0.02 0.82 -0.47 -2.11 -1.23 0.00 0.00 177.57 174.60 1kj6 n ARG 14 N -3.44 1.27 -2.77 5.19 1.85 -1.18 -5.11 116.66 112.47 1kj6 n ARG 14 Ca -0.14 -1.91 -0.43 0.00 -1.00 0.00 0.00 57.85 54.37 1kj6 n ARG 14 Cb 1.03 -0.14 -0.03 0.00 -1.05 0.00 0.00 32.46 32.27 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1kj6 s GLY 15 N -1.54 1.51 0.00 2.89 0.00 -0.97 -4.85 107.32 104.36 1kj6 s GLY 15 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1kj6 s GLY 15 CO -0.08 2.09 0.57 0.61 0.00 0.00 0.00 173.10 176.28 1kj6 n GLY 16 N 4.53 -2.25 3.38 0.20 0.00 -1.26 -4.93 105.19 104.86 1kj6 n GLY 16 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.45 1.74 -0.01 1.61 1.70 -0.16 -5.00 118.95 117.37 1kj6 s ARG 17 Ca 0.00 -2.02 0.03 0.00 -0.47 0.00 0.00 55.73 53.27 1kj6 s ARG 17 Cb 0.00 -0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1kj6 s ARG 17 CO 0.00 -0.52 -0.10 0.00 -1.08 0.00 0.00 175.30 173.60 1kj6 s ALA 19 N -0.11 3.89 -0.42 0.00 0.00 -1.04 -4.97 121.76 119.11 1kj6 s ALA 19 Ca 0.02 -0.65 0.23 0.00 0.00 0.00 0.00 51.96 51.56 1kj6 s ALA 19 Cb -0.05 -1.99 0.29 0.00 0.00 0.00 0.00 23.12 21.37 1kj6 s ALA 19 CO -0.00 0.68 1.48 0.28 0.00 0.00 0.00 175.76 178.20 1kj6 h VAL 20 N 3.18 0.00 0.00 0.00 2.07 -1.92 -3.37 116.25 116.21 1kj6 h VAL 20 Ca -0.51 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1kj6 h VAL 20 Cb 1.20 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1kj6 h VAL 20 CO 0.65 0.00 0.00 0.18 0.02 0.00 0.00 177.57 178.42 1kj6 n LEU 21 N -2.93 0.26 -3.81 2.57 4.32 -1.26 -4.86 117.00 111.28 1kj6 n LEU 21 Ca 0.03 0.08 -0.11 0.00 -0.02 0.00 0.00 56.01 55.99 1kj6 n LEU 21 Cb 0.53 -0.04 -0.08 0.00 -1.62 0.00 0.00 43.42 42.20 1kj6 n LEU 21 CO 0.35 -0.59 -0.05 -0.94 -1.22 0.00 0.00 177.39 174.94 1kj6 s SER 22 N -5.06 -0.02 0.65 -1.43 1.04 -1.26 -4.67 113.70 102.95 1kj6 s SER 22 Ca 0.00 -0.33 -0.17 0.00 0.48 0.00 0.00 55.95 55.93 1kj6 s SER 22 Cb 0.00 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.36 1kj6 s SER 22 CO 0.00 -0.60 0.41 0.00 0.98 0.00 0.00 173.24 174.03 1kj6 s LEU 24 N 1.04 4.43 0.50 0.00 1.43 -1.26 -4.95 118.68 119.87 1kj6 s LEU 24 Ca 0.65 0.97 0.23 0.00 -1.03 0.00 0.00 54.13 54.95 1kj6 s LEU 24 Cb -0.40 -2.67 1.24 0.00 0.03 0.00 0.00 46.19 44.39 1kj6 s LEU 24 CO 0.58 0.22 1.66 -0.65 0.23 0.00 0.00 176.35 178.39 1kj6 h PRO 25 N 5.27 0.00 -0.68 1.29 0.11 -2.03 0.18 132.00 136.14 1kj6 h PRO 25 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.66 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.08 1kj6 n LYS 26 N -2.51 3.93 -3.59 1.05 5.02 -1.26 -4.92 118.16 115.89 1kj6 n LYS 26 Ca -0.02 -2.39 -0.11 0.00 -2.02 0.00 0.00 58.31 53.78 1kj6 n LYS 26 Cb 0.32 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 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 -2.31 1.11 0.09 1.97 1.03 0.63 -2.24 118.70 118.98 1kj6 s GLU 27 Ca 0.41 -0.66 0.05 0.00 0.03 0.00 0.00 54.97 54.81 1kj6 s GLU 27 Cb 0.31 0.49 -0.04 0.00 -0.80 0.00 0.00 34.13 34.10 1kj6 s GLU 27 CO 0.12 -0.45 -0.01 -2.00 -1.33 0.00 0.00 175.26 171.59 1kj6 s GLU 28 N -3.79 2.50 0.12 -4.83 2.56 -0.67 -4.62 118.70 109.96 1kj6 s GLU 28 Ca 0.03 -0.86 -0.22 0.00 0.00 0.00 0.00 54.97 53.92 1kj6 s GLU 28 Cb 0.01 -2.51 -0.07 0.00 2.00 0.00 0.00 34.13 33.55 1kj6 s GLU 28 CO -0.12 0.54 0.67 -1.14 -0.56 0.00 0.00 175.26 174.65 1kj6 s GLN 29 N -2.28 4.39 -0.00 4.30 -0.44 -1.26 -0.77 119.66 123.60 1kj6 s GLN 29 Ca 0.25 0.95 0.01 0.00 -2.50 0.00 0.00 55.36 54.07 1kj6 s GLN 29 Cb -0.12 -3.25 -0.01 0.00 -1.64 0.00 0.00 33.01 27.99 1kj6 s GLN 29 CO 0.18 0.60 0.01 0.44 0.50 0.00 0.00 175.29 177.02 1kj6 n ILE 30 N 1.68 0.02 -3.05 -2.34 -5.35 0.04 -4.99 119.36 105.37 1kj6 n ILE 30 Ca -0.08 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1kj6 n ILE 30 Cb 0.50 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 2.64 1.34 3.24 3.28 0.00 -1.25 -4.72 105.19 109.72 1kj6 n GLY 31 Ca -0.01 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.31 2.65 0.51 1.61 1.02 -1.25 -1.02 119.74 122.95 1kj6 s LYS 32 Ca 0.00 -1.14 0.34 0.00 0.02 0.00 0.00 55.97 55.19 1kj6 s LYS 32 Cb 0.00 -3.30 1.61 0.00 -0.52 0.00 0.00 37.83 35.62 1kj6 s LYS 32 CO 0.00 -0.59 2.03 0.00 -0.92 0.00 0.00 175.35 175.86 1kj6 s SER 34 N -5.11 -0.28 -0.11 0.00 0.15 -1.26 -4.96 113.70 102.14 1kj6 s SER 34 Ca -0.01 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.72 1kj6 s SER 34 Cb 0.10 0.43 0.49 0.00 -1.71 0.00 0.00 66.02 65.33 1kj6 s SER 34 CO 0.44 -0.68 1.30 1.07 1.20 0.00 0.00 173.24 176.58 1kj6 n THR 35 N 0.45 1.46 0.00 6.45 5.66 -1.26 -4.23 114.28 122.81 1kj6 n THR 35 Ca -0.18 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1kj6 n THR 35 Cb 0.60 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1kj6 n THR 35 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1kj6 n ARG 36 N 0.52 0.00 -2.70 1.09 0.63 -1.26 -5.01 116.66 109.93 1kj6 n ARG 36 Ca 0.17 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.03 1kj6 n ARG 36 Cb 0.74 -0.18 0.12 0.00 0.45 0.00 0.00 32.46 33.58 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kj6 n GLY 37 N 2.59 1.34 3.25 5.14 0.00 -1.26 -5.14 105.19 111.10 1kj6 n GLY 37 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.06 1.28 0.26 1.61 0.52 -1.26 -4.61 118.95 116.80 1kj6 s ARG 38 Ca 0.22 -1.68 -0.10 0.00 -0.52 0.00 0.00 55.73 53.65 1kj6 s ARG 38 Cb 0.40 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.92 1kj6 s ARG 38 CO -0.08 -0.35 0.45 0.15 0.02 0.00 0.00 175.30 175.48 1kj6 s LYS 39 N -4.11 1.57 -0.24 3.54 3.01 -1.26 -3.96 119.74 118.28 1kj6 s LYS 39 Ca 0.38 -1.36 -0.04 0.00 -1.01 0.00 0.00 55.97 53.94 1kj6 s LYS 39 Cb 0.07 0.45 0.00 0.00 -1.01 0.00 0.00 37.83 37.34 1kj6 s LYS 39 CO 0.12 -0.64 -0.02 0.00 0.51 0.00 0.00 175.35 175.32 1kj6 s ARG 42 N -1.26 2.01 0.27 0.00 1.04 0.05 -0.99 118.95 120.07 1kj6 s ARG 42 Ca 0.12 -0.50 -0.26 0.00 -1.04 0.00 0.00 55.73 54.05 1kj6 s ARG 42 Cb -0.10 -1.68 -0.16 0.00 -2.04 0.00 0.00 34.95 30.97 1kj6 s ARG 42 CO 0.03 -0.01 0.43 -2.13 -0.04 0.00 0.00 175.30 173.58 1kj6 n ARG 43 N 4.01 0.11 -0.35 3.89 0.63 -1.26 -1.67 116.66 122.01 1kj6 n ARG 43 Ca -0.20 0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.47 1kj6 n ARG 43 Cb 0.52 -1.07 0.28 0.00 0.45 0.00 0.00 32.46 32.64 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 -1.06 -2.40 0.00 -0.14 3.01 -0.95 -4.78 119.74 113.42 1kj6 s LYS 44 Ca 0.62 0.44 0.00 0.00 -1.01 0.00 0.00 55.97 56.02 1kj6 s LYS 44 Cb -0.82 -1.41 0.00 0.00 -1.01 0.00 0.00 37.83 34.58 1kj6 s LYS 44 CO 0.58 -4.60 0.13 0.36 0.51 0.00 0.00 175.35 172.33