#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 5.19 -0.07 -0.61 -1.09 -1.26 -5.07 121.20 118.29 1kj6 s ILE 2 Ca 0.00 0.75 0.02 0.00 -2.23 0.00 0.00 60.65 59.19 1kj6 s ILE 2 Cb 0.00 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1kj6 s ILE 2 CO 0.00 0.26 -0.12 -0.51 -1.23 0.00 0.00 174.94 173.34 1kj6 s ILE 3 N 1.24 3.28 0.10 2.92 2.07 -1.26 -5.04 121.20 124.51 1kj6 s ILE 3 Ca 0.20 -0.63 -0.26 0.00 -1.41 0.00 0.00 60.65 58.55 1kj6 s ILE 3 Cb -0.15 -2.32 -0.11 0.00 0.13 0.00 0.00 42.46 40.02 1kj6 s ILE 3 CO 0.08 0.58 1.67 0.78 -1.91 0.00 0.00 174.94 176.14 1kj6 h ASN 4 N 5.56 -0.47 -3.63 4.50 2.35 -2.11 -3.43 115.58 118.34 1kj6 h ASN 4 Ca -0.44 0.05 -0.32 0.00 -0.55 0.00 0.00 56.30 55.05 1kj6 h ASN 4 Cb 1.17 0.17 -0.32 0.00 0.05 0.00 0.00 38.32 39.40 1kj6 h ASN 4 CO 0.52 -0.25 -0.74 -0.89 -1.65 0.00 0.00 177.43 174.41 1kj6 s THR 5 N -6.12 0.20 -0.26 2.81 2.01 -1.26 -5.04 115.64 107.98 1kj6 s THR 5 Ca -0.15 -0.00 0.17 0.00 0.31 0.00 0.00 61.69 62.02 1kj6 s THR 5 Cb 0.07 -0.24 0.49 0.00 0.01 0.00 0.00 72.50 72.83 1kj6 s THR 5 CO 0.65 0.11 1.15 0.00 -0.69 0.00 0.00 174.62 175.84 1kj6 n LEU 6 N 3.66 2.86 0.00 4.42 -0.00 -1.26 -4.83 117.00 121.84 1kj6 n LEU 6 Ca -0.21 -3.66 0.04 0.00 -0.00 0.00 0.00 56.01 52.17 1kj6 n LEU 6 Cb 0.54 0.13 0.22 0.00 -0.00 0.00 0.00 43.42 44.30 1kj6 n LEU 6 CO 0.24 1.43 0.50 0.00 -0.00 0.00 0.00 177.39 179.57 1kj6 n GLN 7 N -0.62 0.19 0.08 1.47 6.02 -1.26 -1.05 117.38 122.22 1kj6 n GLN 7 Ca 0.21 0.10 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 1kj6 n GLN 7 Cb 0.87 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.94 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 -1.13 0.27 -0.83 -1.09 4.76 -1.26 -4.24 118.16 114.64 1kj6 n LYS 8 Ca 0.05 0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.62 1kj6 n LYS 8 Cb 0.04 -1.75 -0.02 0.00 -1.84 0.00 0.00 35.03 31.46 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1kj6 n TYR 9 N -2.18 0.00 0.25 2.13 0.18 -0.54 -4.91 117.16 112.09 1kj6 n TYR 9 Ca 0.05 -0.27 0.11 0.00 1.88 0.00 0.00 57.90 59.67 1kj6 n TYR 9 Cb 0.43 0.26 0.64 0.00 -0.38 0.00 0.00 39.34 40.29 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 -0.01 -3.48 5.03 -1.26 -0.93 116.97 116.44 1kj6 h TYR 10 Ca -0.26 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.05 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 0.16 -0.05 0.00 -1.32 0.00 0.00 178.16 176.81 1kj6 n ARG 12 N -0.16 0.66 0.01 0.00 5.12 -0.37 -1.95 116.66 119.97 1kj6 n ARG 12 Ca 0.18 -0.07 -0.07 0.00 -1.93 0.00 0.00 57.85 55.96 1kj6 n ARG 12 Cb 0.32 -1.56 -0.13 0.00 -1.16 0.00 0.00 32.46 29.93 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 1.13 0.00 1.55 -1.51 -1.58 -3.42 116.25 112.42 1kj6 h VAL 13 Ca -0.22 -2.91 -0.12 0.00 -1.23 0.00 0.00 66.70 62.22 1kj6 h VAL 13 Cb 1.52 2.55 -0.10 0.00 -2.13 0.00 0.00 31.29 33.13 1kj6 h VAL 13 CO 0.02 0.64 -0.17 -2.11 -1.23 0.00 0.00 177.57 174.72 1kj6 n ARG 14 N -3.15 0.87 -2.21 5.19 -4.01 -1.23 -5.14 116.66 106.99 1kj6 n ARG 14 Ca -0.10 -0.92 -0.41 0.00 -1.04 0.00 0.00 57.85 55.38 1kj6 n ARG 14 Cb 1.00 0.22 -0.03 0.00 -3.04 0.00 0.00 32.46 30.60 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1kj6 s GLY 15 N -0.75 2.40 0.00 2.89 0.00 -0.82 -4.91 107.32 106.13 1kj6 s GLY 15 Ca 0.08 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1kj6 s GLY 15 CO -0.08 2.10 0.00 0.61 0.00 0.00 0.00 173.10 175.73 1kj6 n GLY 16 N 2.51 1.15 1.91 0.20 0.00 -1.26 -4.97 105.19 104.73 1kj6 n GLY 16 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1kj6 n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kj6 n ARG 17 N 0.00 1.00 -4.01 1.61 1.85 -0.04 -4.96 116.66 112.10 1kj6 n ARG 17 Ca 0.00 -1.67 -0.16 0.00 -1.00 0.00 0.00 57.85 55.02 1kj6 n ARG 17 Cb 0.00 0.09 -0.15 0.00 -1.05 0.00 0.00 32.46 31.34 1kj6 n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kj6 s ALA 19 N 0.57 4.08 -0.15 0.00 0.00 -1.02 -4.98 121.76 120.27 1kj6 s ALA 19 Ca -0.06 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 1kj6 s ALA 19 Cb -0.09 -1.55 -0.24 0.00 0.00 0.00 0.00 23.12 21.23 1kj6 s ALA 19 CO -0.01 0.02 0.60 0.28 0.00 0.00 0.00 175.76 176.65 1kj6 h VAL 20 N 1.03 1.46 0.00 0.00 2.07 -1.90 -3.36 116.25 115.55 1kj6 h VAL 20 Ca -0.46 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1kj6 h VAL 20 Cb 1.25 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1kj6 h VAL 20 CO 0.55 0.53 -0.27 -0.11 0.02 0.00 0.00 177.57 178.29 1kj6 n LEU 21 N -4.47 0.79 -4.08 2.57 7.94 -1.25 -4.06 117.00 114.44 1kj6 n LEU 21 Ca -0.18 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.50 1kj6 n LEU 21 Cb 0.60 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.39 1kj6 n LEU 21 CO 0.31 0.12 -0.46 -0.55 -1.11 0.00 0.00 177.39 175.69 1kj6 s SER 22 N -3.34 1.55 1.23 1.96 0.15 -1.26 -4.71 113.70 109.28 1kj6 s SER 22 Ca 0.00 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 1kj6 s SER 22 Cb 0.00 -0.25 0.31 0.00 -1.71 0.00 0.00 66.02 64.37 1kj6 s SER 22 CO 0.00 0.14 1.00 0.00 1.20 0.00 0.00 173.24 175.58 1kj6 s LEU 24 N -7.40 4.24 0.28 0.00 1.43 -1.26 -4.97 118.68 111.01 1kj6 s LEU 24 Ca 0.69 1.02 0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1kj6 s LEU 24 Cb -0.24 -3.52 1.06 0.00 0.03 0.00 0.00 46.19 43.52 1kj6 s LEU 24 CO 0.65 0.00 1.69 -0.81 0.23 0.00 0.00 176.35 178.10 1kj6 n PRO 25 N 0.29 0.17 -0.04 1.29 -0.04 -1.26 -1.56 135.00 133.85 1kj6 n PRO 25 Ca -0.02 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1kj6 n PRO 25 Cb 0.52 -1.91 0.33 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.24 1.98 -3.79 0.54 5.02 -1.26 -4.90 118.16 113.50 1kj6 n LYS 26 Ca 0.01 -1.45 -0.13 0.00 -2.02 0.00 0.00 58.31 54.72 1kj6 n LYS 26 Cb 0.14 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.91 0.40 0.47 1.97 1.03 -0.60 -2.50 118.70 117.56 1kj6 s GLU 27 Ca 0.34 0.13 0.00 0.00 0.03 0.00 0.00 54.97 55.47 1kj6 s GLU 27 Cb 0.20 0.18 0.00 0.00 -0.80 0.00 0.00 34.13 33.72 1kj6 s GLU 27 CO 0.31 -0.08 0.69 -1.83 -1.33 0.00 0.00 175.26 173.02 1kj6 s GLU 28 N -0.39 3.00 0.01 -4.83 4.04 -0.91 -4.22 118.70 115.40 1kj6 s GLU 28 Ca -0.05 -0.51 -0.19 0.00 0.04 0.00 0.00 54.97 54.26 1kj6 s GLU 28 Cb -0.03 -2.54 -0.06 0.00 0.02 0.00 0.00 34.13 31.52 1kj6 s GLU 28 CO 0.01 -0.34 0.54 -1.14 -1.84 0.00 0.00 175.26 172.50 1kj6 s GLN 29 N -4.59 4.21 0.00 -4.83 -0.44 -1.25 -0.68 119.66 112.08 1kj6 s GLN 29 Ca 0.50 0.65 0.00 0.00 -2.50 0.00 0.00 55.36 54.01 1kj6 s GLN 29 Cb -0.10 -3.29 0.00 0.00 -1.64 0.00 0.00 33.01 27.97 1kj6 s GLN 29 CO 0.38 0.50 0.00 0.44 0.50 0.00 0.00 175.29 177.11 1kj6 n ILE 30 N 2.31 0.00 -2.31 -2.34 -5.35 -0.19 -4.97 119.36 106.52 1kj6 n ILE 30 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1kj6 n ILE 30 Cb 0.51 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 2.38 2.11 3.15 3.28 0.00 -1.25 -4.79 105.19 110.07 1kj6 n GLY 31 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 1.10 2.84 0.00 1.61 1.02 -1.26 -1.25 119.74 123.80 1kj6 s LYS 32 Ca 0.00 -0.95 0.17 0.00 0.02 0.00 0.00 55.97 55.21 1kj6 s LYS 32 Cb 0.00 -2.78 0.82 0.00 -0.52 0.00 0.00 37.83 35.35 1kj6 s LYS 32 CO 0.00 -0.33 1.51 0.00 -0.92 0.00 0.00 175.35 175.61 1kj6 s SER 34 N -2.67 0.04 0.29 0.00 0.15 -1.26 -4.95 113.70 105.30 1kj6 s SER 34 Ca 0.14 -0.99 -0.00 0.00 0.70 0.00 0.00 55.95 55.80 1kj6 s SER 34 Cb 0.11 0.74 0.50 0.00 -1.71 0.00 0.00 66.02 65.67 1kj6 s SER 34 CO 0.27 -1.44 1.90 0.00 1.20 0.00 0.00 173.24 175.18 1kj6 h THR 35 N 2.06 1.07 -1.42 6.45 1.03 -1.92 -3.45 112.91 116.73 1kj6 h THR 35 Ca -0.27 -0.37 0.12 0.00 -0.01 0.00 0.00 66.41 65.88 1kj6 h THR 35 Cb 1.25 -0.09 -0.26 0.00 -1.07 0.00 0.00 68.15 67.98 1kj6 h THR 35 CO 0.34 0.19 0.63 0.00 -0.01 0.00 0.00 175.52 176.68 1kj6 s ARG 36 N -5.94 0.40 0.00 0.00 1.70 -1.26 -4.99 118.95 108.86 1kj6 s ARG 36 Ca -0.12 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.40 1kj6 s ARG 36 Cb 0.20 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1kj6 s ARG 36 CO 0.80 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 175.34 1kj6 n GLY 37 N 1.29 2.59 3.70 3.88 0.00 -1.26 -5.05 105.19 110.35 1kj6 n GLY 37 Ca -0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 2.11 0.27 1.61 0.52 -1.26 -3.84 118.95 118.35 1kj6 s ARG 38 Ca 0.00 -2.10 -0.10 0.00 -0.52 0.00 0.00 55.73 53.01 1kj6 s ARG 38 Cb 0.00 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.73 1kj6 s ARG 38 CO 0.00 -0.18 0.45 0.15 0.02 0.00 0.00 175.30 175.74 1kj6 s LYS 39 N -3.84 1.61 -0.20 3.54 3.01 -1.26 -4.09 119.74 118.51 1kj6 s LYS 39 Ca 0.30 -1.40 -0.05 0.00 -1.01 0.00 0.00 55.97 53.81 1kj6 s LYS 39 Cb 0.06 0.45 -0.02 0.00 -1.01 0.00 0.00 37.83 37.30 1kj6 s LYS 39 CO 0.16 -0.66 -0.01 0.00 0.51 0.00 0.00 175.35 175.35 1kj6 s ARG 42 N 0.15 3.18 0.19 0.00 1.04 0.14 -0.87 118.95 122.79 1kj6 s ARG 42 Ca -0.09 -0.78 -0.32 0.00 -1.04 0.00 0.00 55.73 53.50 1kj6 s ARG 42 Cb -0.15 -2.56 -0.15 0.00 -2.04 0.00 0.00 34.95 30.05 1kj6 s ARG 42 CO 0.05 0.05 1.27 -2.13 -0.04 0.00 0.00 175.30 174.50 1kj6 n ARG 43 N 3.95 1.50 -4.42 3.89 0.63 -1.26 -2.13 116.66 118.82 1kj6 n ARG 43 Ca -0.19 0.54 -0.21 0.00 -0.92 0.00 0.00 57.85 57.06 1kj6 n ARG 43 Cb 0.52 -2.10 -0.10 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.31 1.54 0.00 -0.14 0.00 -1.04 -4.90 119.74 114.89 1kj6 s LYS 44 Ca 0.72 -1.74 0.00 0.00 0.00 0.00 0.00 55.97 54.95 1kj6 s LYS 44 Cb -0.78 -1.33 0.00 0.00 0.00 0.00 0.00 37.83 35.72 1kj6 s LYS 44 CO 0.51 0.15 0.13 0.36 0.00 0.00 0.00 175.35 176.50