#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkt n GLY 2 N 0.00 -0.23 0.00 7.63 0.00 -1.26 -2.88 105.19 108.46 1bkt n GLY 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bkt n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bkt n ILE 3 N -0.09 0.00 -2.44 -0.61 -5.35 -1.22 -4.77 119.36 104.88 1bkt n ILE 3 Ca 0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 1bkt n ILE 3 Cb 0.03 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.97 1bkt n ILE 3 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1bkt n ASN 4 N 0.00 -0.47 -4.25 7.28 2.85 -1.26 -5.05 115.26 114.36 1bkt n ASN 4 Ca 0.00 -1.31 -0.15 0.00 -0.11 0.00 0.00 54.58 53.01 1bkt n ASN 4 Cb 0.00 0.21 -0.10 0.00 1.24 0.00 0.00 39.78 41.13 1bkt n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1bkt s VAL 5 N 0.04 1.22 -0.22 3.44 1.01 -1.26 -5.04 120.40 119.58 1bkt s VAL 5 Ca 0.03 -1.98 -0.09 0.00 0.00 0.00 0.00 61.98 59.94 1bkt s VAL 5 Cb 0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1bkt s VAL 5 CO -0.04 -0.67 0.11 -0.75 0.00 0.00 0.00 175.10 173.76 1bkt s LYS 6 N -3.48 3.97 0.38 2.72 2.47 -1.26 -0.92 119.74 123.61 1bkt s LYS 6 Ca 0.15 -0.33 0.08 0.00 -1.56 0.00 0.00 55.97 54.31 1bkt s LYS 6 Cb 0.01 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.93 1bkt s LYS 6 CO 0.01 0.08 0.12 0.00 0.16 0.00 0.00 175.35 175.73 1bkt n LYS 8 N -1.14 0.02 -4.50 0.00 4.76 -1.26 -4.61 118.16 111.43 1bkt n LYS 8 Ca -0.02 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.17 1bkt n LYS 8 Cb 0.63 -1.01 -0.08 0.00 -1.84 0.00 0.00 35.03 32.73 1bkt n LYS 8 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1bkt s HIS 9 N -2.01 1.80 -0.41 2.13 3.76 -1.26 -5.01 115.29 114.28 1bkt s HIS 9 Ca -0.01 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.69 1bkt s HIS 9 Cb 0.00 -1.17 0.28 0.00 1.11 0.00 0.00 32.58 32.80 1bkt s HIS 9 CO 0.01 -0.26 1.18 0.43 -0.85 0.00 0.00 174.74 175.25 1bkt n SER 10 N -1.21 3.06 0.00 1.40 7.64 -1.26 -2.97 113.62 120.29 1bkt n SER 10 Ca -0.05 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1bkt n SER 10 Cb 0.65 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1bkt n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bkt n GLY 11 N 0.04 -0.00 0.40 0.23 0.00 -1.26 -4.01 105.19 100.59 1bkt n GLY 11 Ca 0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.40 1bkt n GLY 11 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bkt h GLN 12 N 0.00 0.00 0.01 1.61 -0.00 -1.94 0.13 115.11 114.93 1bkt h GLN 12 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.27 1bkt h GLN 12 Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.34 1bkt h GLN 12 CO 0.00 0.00 -2.38 0.00 0.00 0.00 0.00 178.83 176.45 1bkt h LEU 14 N 0.01 0.67 0.62 0.00 6.46 -0.90 -0.59 115.31 121.57 1bkt h LEU 14 Ca -0.55 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 1bkt h LEU 14 Cb 2.00 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1bkt h LEU 14 CO -0.04 0.46 -0.30 0.11 -0.62 0.00 0.00 178.44 178.05 1bkt h LYS 15 N 0.80 -0.80 -0.23 1.25 1.79 -1.56 -1.03 116.57 116.80 1bkt h LYS 15 Ca 0.28 0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.71 1bkt h LYS 15 Cb 0.06 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1bkt h LYS 15 CO -0.12 -0.53 -0.26 -1.00 -1.08 0.00 0.00 179.45 176.46 1bkt h PRO 16 N -0.84 0.44 0.99 3.15 0.13 -1.76 -0.64 132.00 133.48 1bkt h PRO 16 Ca -0.08 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1bkt h PRO 16 Cb 0.64 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.75 1bkt h PRO 16 CO 0.14 0.67 -0.49 0.00 -0.23 0.00 0.00 178.00 178.09 1bkt h LYS 18 N -1.35 -0.41 -0.06 0.00 1.63 -1.17 0.11 116.57 115.32 1bkt h LYS 18 Ca -0.14 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1bkt h LYS 18 Cb 1.04 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1bkt h LYS 18 CO 0.22 -0.27 0.10 0.22 -3.45 0.00 0.00 179.45 176.27 1bkt h ASP 19 N -0.43 0.00 -0.01 4.20 1.82 -1.00 0.20 116.42 121.21 1bkt h ASP 19 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1bkt h ASP 19 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1bkt h ASP 19 CO -0.31 0.00 -0.13 0.00 -1.61 0.00 0.00 179.24 177.19 1bkt n ALA 20 N -2.21 2.77 0.00 -0.78 0.00 0.23 -4.94 120.51 115.58 1bkt n ALA 20 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1bkt n ALA 20 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1bkt n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkt n GLY 21 N 1.34 1.01 0.00 0.00 0.00 0.04 -5.04 105.19 102.54 1bkt n GLY 21 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1bkt n GLY 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bkt n MET 22 N -0.00 1.82 -0.00 1.61 2.81 0.19 -4.91 117.12 118.63 1bkt n MET 22 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1bkt n MET 22 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1bkt n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1bkt n ARG 23 N 0.00 0.09 -4.68 0.03 1.74 -1.26 -4.22 116.66 108.36 1bkt n ARG 23 Ca 0.00 0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 1bkt n ARG 23 Cb 0.00 -0.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.87 1bkt n ARG 23 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1bkt n PHE 24 N -3.07 0.83 -4.31 -1.55 3.01 -1.24 -4.47 117.46 106.65 1bkt n PHE 24 Ca -0.02 -2.65 -0.21 0.00 1.01 0.00 0.00 57.45 55.58 1bkt n PHE 24 Cb 0.09 -0.22 -0.11 0.00 -0.01 0.00 0.00 39.48 39.23 1bkt n PHE 24 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1bkt s GLY 25 N -3.79 1.30 -0.14 1.37 0.00 -1.26 -1.23 107.32 103.57 1bkt s GLY 25 Ca 0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.27 1bkt s GLY 25 CO 0.06 -1.47 0.36 1.25 0.00 0.00 0.00 173.10 173.30 1bkt s LYS 26 N -2.69 0.39 -0.11 2.90 2.47 0.85 -4.53 119.74 119.01 1bkt s LYS 26 Ca 0.13 0.58 -0.08 0.00 -1.56 0.00 0.00 55.97 55.05 1bkt s LYS 26 Cb -0.06 0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.38 1bkt s LYS 26 CO 0.05 -0.09 0.16 0.00 0.16 0.00 0.00 175.35 175.63 1bkt n ILE 28 N 2.01 0.00 -1.54 0.00 2.08 -0.67 -4.89 119.36 116.34 1bkt n ILE 28 Ca -0.19 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.94 1bkt n ILE 28 Cb 0.55 -0.66 0.13 0.00 -0.75 0.00 0.00 39.64 38.91 1bkt n ILE 28 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1bkt n ASN 29 N -1.10 4.31 0.00 4.38 0.23 -1.26 -4.82 115.26 116.99 1bkt n ASN 29 Ca 0.00 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.28 1bkt n ASN 29 Cb 0.00 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1bkt n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bkt n GLY 30 N -0.99 3.05 3.99 4.83 0.00 -1.26 -5.04 105.19 109.76 1bkt n GLY 30 Ca 0.45 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 1bkt n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bkt s LYS 31 N -0.55 3.12 0.36 1.61 2.20 -1.26 -0.43 119.74 124.78 1bkt s LYS 31 Ca 0.00 -0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 54.56 1bkt s LYS 31 Cb 0.00 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.46 1bkt s LYS 31 CO 0.00 0.04 0.70 0.00 -0.36 0.00 0.00 175.35 175.73 1bkt s ASP 33 N -3.03 0.10 0.37 0.00 2.15 0.56 -3.43 116.67 113.40 1bkt s ASP 33 Ca 0.49 -0.19 0.08 0.00 0.43 0.00 0.00 52.55 53.36 1bkt s ASP 33 Cb -0.10 0.04 -0.05 0.00 -0.30 0.00 0.00 42.92 42.50 1bkt s ASP 33 CO 0.29 -0.11 0.12 0.00 -0.17 0.00 0.00 175.17 175.30 1bkt n THR 35 N -1.13 2.79 -0.98 0.00 -1.04 -0.37 -1.69 114.28 111.87 1bkt n THR 35 Ca -0.03 -5.43 -0.29 0.00 -2.04 0.00 0.00 64.05 56.26 1bkt n THR 35 Cb 0.63 -1.30 0.23 0.00 -1.82 0.00 0.00 70.33 68.07 1bkt n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bkt s PRO 36 N -3.42 -0.84 0.00 -2.82 0.04 -1.26 -3.72 135.00 122.98 1bkt s PRO 36 Ca 0.48 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1bkt s PRO 36 Cb 0.30 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 33.23 1bkt s PRO 36 CO -0.14 -3.52 0.00 0.36 0.04 0.00 0.00 177.00 173.74