#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 1.93 -0.03 -0.61 1.01 -1.26 -5.11 121.20 117.14 1kj6 s ILE 2 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1kj6 s ILE 2 Cb 0.00 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1kj6 s ILE 2 CO 0.00 0.19 -0.12 -0.51 0.00 0.00 0.00 174.94 174.50 1kj6 s ILE 3 N 1.27 0.98 0.00 2.92 2.07 -1.26 -5.00 121.20 122.18 1kj6 s ILE 3 Ca -0.02 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1kj6 s ILE 3 Cb -0.17 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1kj6 s ILE 3 CO -0.08 0.29 0.00 0.59 -1.91 0.00 0.00 174.94 173.83 1kj6 n ASN 4 N 3.13 1.38 0.00 4.50 3.02 -1.26 -5.06 115.26 120.97 1kj6 n ASN 4 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1kj6 n ASN 4 Cb 0.54 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kj6 n THR 5 N -0.67 0.00 -1.78 3.41 -2.24 -1.26 -5.07 114.28 106.67 1kj6 n THR 5 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1kj6 n THR 5 Cb 0.07 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1kj6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kj6 n LEU 6 N -0.13 -0.41 0.00 3.22 -0.00 -1.26 -4.96 117.00 113.46 1kj6 n LEU 6 Ca 0.00 -0.88 0.04 0.00 -0.00 0.00 0.00 56.01 55.17 1kj6 n LEU 6 Cb 0.00 0.06 0.24 0.00 -0.00 0.00 0.00 43.42 43.73 1kj6 n LEU 6 CO 0.00 0.93 0.46 0.00 -0.00 0.00 0.00 177.39 178.78 1kj6 n GLN 7 N -0.06 0.27 0.08 1.47 6.02 -1.26 -1.64 117.38 122.26 1kj6 n GLN 7 Ca -0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1kj6 n GLN 7 Cb 0.45 -1.47 0.37 0.00 1.02 0.00 0.00 30.24 30.61 1kj6 n GLN 7 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1kj6 n LYS 8 N -0.97 0.23 -0.66 -1.09 4.01 -1.26 -4.17 118.16 114.25 1kj6 n LYS 8 Ca 0.06 0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 58.01 1kj6 n LYS 8 Cb 0.03 -1.74 -0.01 0.00 -0.51 0.00 0.00 35.03 32.80 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 1kj6 n TYR 9 N -2.12 0.00 0.04 2.13 0.18 -0.65 -4.89 117.16 111.85 1kj6 n TYR 9 Ca 0.05 -0.12 -0.13 0.00 1.88 0.00 0.00 57.90 59.58 1kj6 n TYR 9 Cb 0.42 0.21 -0.09 0.00 -0.38 0.00 0.00 39.34 39.50 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 0.07 -0.10 0.00 -3.48 5.03 -1.49 0.75 116.97 117.75 1kj6 h TYR 10 Ca -0.12 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1kj6 h TYR 10 Cb 1.21 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.52 1kj6 h TYR 10 CO -0.16 0.22 0.00 0.00 -1.32 0.00 0.00 178.16 176.90 1kj6 h ARG 12 N 0.00 0.00 0.00 0.00 9.65 -1.77 -2.02 114.38 120.24 1kj6 h ARG 12 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1kj6 h ARG 12 Cb 0.46 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1kj6 h ARG 12 CO 0.00 0.18 -0.45 -0.24 2.80 0.00 0.00 179.97 182.26 1kj6 h VAL 13 N 0.00 0.44 0.00 0.20 3.04 0.13 -3.45 116.25 116.61 1kj6 h VAL 13 Ca -0.06 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1kj6 h VAL 13 Cb 1.27 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 32.70 1kj6 h VAL 13 CO 0.03 0.25 0.00 -2.11 -1.01 0.00 0.00 177.57 174.73 1kj6 n ARG 14 N -3.10 0.00 -2.92 4.17 1.85 -1.05 -5.09 116.66 110.52 1kj6 n ARG 14 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.84 1kj6 n ARG 14 Cb 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.07 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 -0.90 -2.48 0.00 2.89 0.00 -0.76 -4.99 105.19 98.95 1kj6 n GLY 15 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.74 -1.52 3.62 -0.02 0.00 -1.26 -4.96 105.19 101.80 1kj6 n GLY 16 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 -0.03 1.61 1.70 -0.63 -4.98 118.95 118.72 1kj6 s ARG 17 Ca 0.00 -1.67 0.02 0.00 -0.47 0.00 0.00 55.73 53.61 1kj6 s ARG 17 Cb 0.00 -1.98 0.01 0.00 -0.57 0.00 0.00 34.95 32.41 1kj6 s ARG 17 CO 0.00 0.20 -0.08 0.00 -1.08 0.00 0.00 175.30 174.34 1kj6 s ALA 19 N 0.36 3.87 -0.26 0.00 0.00 -0.96 -5.00 121.76 119.77 1kj6 s ALA 19 Ca -0.06 -1.11 0.19 0.00 0.00 0.00 0.00 51.96 50.98 1kj6 s ALA 19 Cb -0.10 -1.67 0.13 0.00 0.00 0.00 0.00 23.12 21.48 1kj6 s ALA 19 CO 0.01 0.49 1.38 0.28 0.00 0.00 0.00 175.76 177.91 1kj6 h VAL 20 N 1.67 0.41 0.00 0.00 2.07 -1.91 -3.33 116.25 115.15 1kj6 h VAL 20 Ca -0.49 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1kj6 h VAL 20 Cb 1.20 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1kj6 h VAL 20 CO 0.66 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.49 1kj6 n LEU 21 N -3.07 0.00 -4.66 2.57 -0.00 -1.26 -4.64 117.00 105.94 1kj6 n LEU 21 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.74 1kj6 n LEU 21 Cb 0.65 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.99 1kj6 n LEU 21 CO 0.38 0.00 -0.34 -0.55 -0.00 0.00 0.00 177.39 176.88 1kj6 s SER 22 N 1.00 4.80 1.13 1.45 0.15 -1.26 -4.52 113.70 116.45 1kj6 s SER 22 Ca 0.00 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 1kj6 s SER 22 Cb 0.00 -1.04 0.26 0.00 -1.71 0.00 0.00 66.02 63.53 1kj6 s SER 22 CO 0.00 0.12 1.04 0.00 1.20 0.00 0.00 173.24 175.60 1kj6 s LEU 24 N -7.10 4.29 0.10 0.00 1.43 -1.26 -4.97 118.68 111.17 1kj6 s LEU 24 Ca 0.68 0.98 0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1kj6 s LEU 24 Cb -0.24 -3.35 0.64 0.00 0.03 0.00 0.00 46.19 43.26 1kj6 s LEU 24 CO 0.63 0.06 1.45 -0.81 0.23 0.00 0.00 176.35 177.91 1kj6 n PRO 25 N 0.52 0.06 -0.01 1.29 -0.04 -1.26 -1.51 135.00 134.06 1kj6 n PRO 25 Ca -0.04 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1kj6 n PRO 25 Cb 0.52 -1.64 0.32 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.76 1.99 -3.83 0.54 4.01 -1.26 -4.92 118.16 112.93 1kj6 n LYS 26 Ca 0.02 -1.44 -0.12 0.00 -0.51 0.00 0.00 58.31 56.25 1kj6 n LYS 26 Cb 0.13 -1.47 -0.09 0.00 -0.51 0.00 0.00 35.03 33.09 1kj6 n LYS 26 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1kj6 s GLU 27 N -1.98 0.56 0.38 1.97 -1.05 -0.57 -2.48 118.70 115.54 1kj6 s GLU 27 Ca 0.33 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.87 1kj6 s GLU 27 Cb 0.20 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1kj6 s GLU 27 CO 0.32 -0.14 0.55 -1.83 0.95 0.00 0.00 175.26 175.10 1kj6 s GLU 28 N -1.39 3.13 0.07 -4.83 -1.05 -0.98 -4.31 118.70 109.34 1kj6 s GLU 28 Ca -0.14 -0.75 -0.20 0.00 -0.15 0.00 0.00 54.97 53.73 1kj6 s GLU 28 Cb -0.07 -2.71 -0.07 0.00 -0.44 0.00 0.00 34.13 30.85 1kj6 s GLU 28 CO 0.03 -0.05 0.58 -1.14 0.95 0.00 0.00 175.26 175.63 1kj6 s GLN 29 N -4.32 4.23 -0.00 -4.83 0.74 -1.26 -0.54 119.66 113.68 1kj6 s GLN 29 Ca 0.45 0.75 0.01 0.00 0.05 0.00 0.00 55.36 56.63 1kj6 s GLN 29 Cb -0.10 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1kj6 s GLN 29 CO 0.34 0.61 0.03 0.44 -0.55 0.00 0.00 175.29 176.16 1kj6 n ILE 30 N 1.84 0.00 0.00 -2.34 -5.35 -0.39 -4.95 119.36 108.17 1kj6 n ILE 30 Ca -0.10 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1kj6 n ILE 30 Cb 0.51 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 2.43 1.36 3.68 3.28 0.00 -1.26 -4.52 105.19 110.16 1kj6 n GLY 31 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 4.22 0.28 1.61 1.02 -1.26 -0.19 119.74 123.43 1kj6 s LYS 32 Ca 0.00 2.16 0.10 0.00 0.02 0.00 0.00 55.97 58.25 1kj6 s LYS 32 Cb 0.00 -3.67 0.40 0.00 -0.52 0.00 0.00 37.83 34.04 1kj6 s LYS 32 CO 0.00 -0.70 1.64 0.00 -0.92 0.00 0.00 175.35 175.37 1kj6 s SER 34 N -6.87 0.16 0.00 0.00 0.01 -1.26 -4.95 113.70 100.79 1kj6 s SER 34 Ca -0.02 -1.08 0.23 0.00 1.31 0.00 0.00 55.95 56.39 1kj6 s SER 34 Cb 0.13 0.71 0.12 0.00 0.21 0.00 0.00 66.02 67.18 1kj6 s SER 34 CO 0.76 -1.38 1.15 0.35 0.41 0.00 0.00 173.24 174.54 1kj6 n THR 35 N -0.48 0.00 -0.01 1.44 -2.24 -1.26 -4.10 114.28 107.62 1kj6 n THR 35 Ca -0.03 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1kj6 n THR 35 Cb 0.61 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1kj6 n THR 35 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1kj6 h ARG 36 N 0.86 0.44 0.00 -0.78 3.08 -2.02 -3.46 114.38 112.51 1kj6 h ARG 36 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1kj6 h ARG 36 Cb 0.57 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1kj6 h ARG 36 CO 0.00 1.07 0.00 0.41 -1.07 0.00 0.00 179.97 180.38 1kj6 n GLY 37 N 0.92 0.00 3.52 0.04 0.00 -1.26 -5.18 105.19 103.22 1kj6 n GLY 37 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 1.79 0.15 1.61 0.52 -1.26 -4.40 118.95 117.36 1kj6 s ARG 38 Ca 0.00 -2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 53.07 1kj6 s ARG 38 Cb 0.00 -1.06 0.01 0.00 0.52 0.00 0.00 34.95 34.42 1kj6 s ARG 38 CO 0.00 -0.20 0.36 0.15 0.02 0.00 0.00 175.30 175.63 1kj6 s LYS 39 N -3.83 1.16 -0.18 3.54 3.01 -1.25 -3.18 119.74 119.00 1kj6 s LYS 39 Ca 0.33 -0.97 -0.05 0.00 -1.01 0.00 0.00 55.97 54.27 1kj6 s LYS 39 Cb 0.08 0.43 -0.03 0.00 -1.01 0.00 0.00 37.83 37.30 1kj6 s LYS 39 CO 0.15 -0.44 -0.01 0.00 0.51 0.00 0.00 175.35 175.56 1kj6 s ARG 42 N -0.42 3.00 0.36 0.00 3.00 0.30 -1.60 118.95 123.59 1kj6 s ARG 42 Ca 0.04 -0.84 -0.26 0.00 -1.00 0.00 0.00 55.73 53.67 1kj6 s ARG 42 Cb -0.12 -2.75 -0.12 0.00 0.00 0.00 0.00 34.95 31.96 1kj6 s ARG 42 CO 0.02 -0.26 1.04 0.54 0.00 0.00 0.00 175.30 176.64 1kj6 n ARG 43 N 4.65 1.46 -1.68 5.12 1.74 -1.26 -2.32 116.66 124.37 1kj6 n ARG 43 Ca -0.19 0.52 -0.50 0.00 -0.77 0.00 0.00 57.85 56.90 1kj6 n ARG 43 Cb 0.49 -2.00 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 1kj6 n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kj6 n LYS 44 N 0.44 1.97 0.00 5.56 4.76 -1.03 -4.90 118.16 124.95 1kj6 n LYS 44 Ca 0.09 0.72 0.04 0.00 -2.87 0.00 0.00 58.31 56.28 1kj6 n LYS 44 Cb 0.36 -2.54 0.21 0.00 -1.84 0.00 0.00 35.03 31.21 1kj6 n LYS 44 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20