#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 -0.18 0.00 7.63 0.00 -1.26 -2.80 105.19 108.58 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 -0.08 0.00 -1.78 -0.61 -5.35 -1.20 -4.76 119.36 105.58 1bkt n ILE 3 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.47 1bkt n ILE 3 Cb 0.03 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.91 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 -0.33 -4.32 7.28 2.85 -1.26 -5.06 115.26 114.42 1bkt n ASN 4 Ca 0.00 -0.72 -0.17 0.00 -0.11 0.00 0.00 54.58 53.58 1bkt n ASN 4 Cb 0.00 0.11 -0.10 0.00 1.24 0.00 0.00 39.78 41.03 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 0.01 0.99 -0.09 3.44 1.01 -1.26 -5.04 120.40 119.45 1bkt s VAL 5 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 61.98 59.92 1bkt s VAL 5 Cb 0.02 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1bkt s VAL 5 CO -0.01 -0.32 0.07 -0.54 0.00 0.00 0.00 175.10 174.31 1bkt s LYS 6 N -3.87 3.19 0.33 2.72 1.02 -1.26 -1.01 119.74 120.86 1bkt s LYS 6 Ca 0.28 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.05 1bkt s LYS 6 Cb 0.06 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 1bkt s LYS 6 CO 0.09 0.73 -0.04 0.00 -0.92 0.00 0.00 175.35 175.20 1bkt n LYS 8 N -0.74 0.05 -4.49 0.00 4.76 -1.26 -4.70 118.16 111.79 1bkt n LYS 8 Ca -0.05 0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.15 1bkt n LYS 8 Cb 0.64 -1.02 -0.08 0.00 -1.84 0.00 0.00 35.03 32.74 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 -2.04 1.78 -0.22 2.13 3.76 -1.26 -5.00 115.29 114.44 1bkt s HIS 9 Ca -0.03 -1.40 0.02 0.00 -0.15 0.00 0.00 55.06 53.50 1bkt s HIS 9 Cb 0.01 -1.07 0.23 0.00 1.11 0.00 0.00 32.58 32.85 1bkt s HIS 9 CO 0.05 -0.44 1.27 0.45 -0.85 0.00 0.00 174.74 175.21 1bkt n SER 10 N -1.48 3.18 0.01 1.40 2.88 -1.26 -3.00 113.62 115.35 1bkt n SER 10 Ca -0.04 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1bkt n SER 10 Cb 0.64 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1bkt n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bkt n GLY 11 N -0.02 -0.01 0.37 0.46 0.00 -1.26 -4.29 105.19 100.44 1bkt n GLY 11 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.90 -0.04 115.11 114.78 1bkt h GLN 12 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 58.24 1bkt h GLN 12 Cb 0.67 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.08 1bkt h GLN 12 CO 0.00 0.00 -2.45 0.00 0.00 0.00 0.00 178.83 176.38 1bkt h LEU 14 N -0.32 0.42 0.62 0.00 6.46 -1.17 0.06 115.31 121.38 1bkt h LEU 14 Ca -0.61 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.20 1bkt h LEU 14 Cb 1.81 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 41.75 1bkt h LEU 14 CO -0.19 0.22 -0.30 0.11 -0.62 0.00 0.00 178.44 177.67 1bkt h LYS 15 N 0.57 -0.80 -0.07 1.25 1.57 -1.54 -1.14 116.57 116.42 1bkt h LYS 15 Ca 0.37 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.12 1bkt h LYS 15 Cb 0.45 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1bkt h LYS 15 CO -0.31 -0.51 -0.35 -1.00 -0.57 0.00 0.00 179.45 176.72 1bkt h PRO 16 N -0.90 0.13 0.61 3.15 0.13 -1.74 -0.69 132.00 132.69 1bkt h PRO 16 Ca -0.08 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1bkt h PRO 16 Cb 0.66 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.79 1bkt h PRO 16 CO 0.14 0.47 -0.29 0.00 -0.23 0.00 0.00 178.00 178.09 1bkt h LYS 18 N -0.87 0.24 -0.04 0.00 2.10 -1.22 0.83 116.57 117.61 1bkt h LYS 18 Ca -0.08 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1bkt h LYS 18 Cb 0.63 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1bkt h LYS 18 CO 0.14 0.16 0.06 0.22 -2.00 0.00 0.00 179.45 178.02 1bkt h ASP 19 N 0.25 0.00 -0.01 7.07 1.82 -1.04 0.72 116.42 125.22 1bkt h ASP 19 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1bkt h ASP 19 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1bkt h ASP 19 CO -0.18 0.00 -0.11 0.00 -1.61 0.00 0.00 179.24 177.34 1bkt n ALA 20 N -2.24 2.73 0.00 -0.78 0.00 0.22 -4.93 120.51 115.50 1bkt n ALA 20 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1bkt n ALA 20 Cb 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.98 0.00 0.00 0.00 0.23 -5.04 105.19 102.69 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 1.88 -0.00 1.61 2.81 0.09 -4.92 117.12 118.58 1bkt n MET 22 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1bkt n MET 22 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.08 -4.64 0.03 1.74 -1.26 -4.16 116.66 108.44 1bkt n ARG 23 Ca 0.00 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1bkt n ARG 23 Cb 0.00 -0.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.92 1bkt n ARG 23 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bkt s PHE 24 N -1.48 1.81 0.02 -1.55 0.40 -1.25 -4.43 117.98 111.49 1bkt s PHE 24 Ca -0.04 -1.15 -0.01 0.00 -0.60 0.00 0.00 56.93 55.13 1bkt s PHE 24 Cb 0.01 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1bkt s PHE 24 CO 0.06 -0.06 -0.01 0.20 0.70 0.00 0.00 175.22 176.12 1bkt s GLY 25 N -3.75 0.19 0.02 4.36 0.00 -1.26 -1.25 107.32 105.63 1bkt s GLY 25 Ca 0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 1bkt s GLY 25 CO 0.08 -0.55 0.13 -1.59 0.00 0.00 0.00 173.10 171.18 1bkt s LYS 26 N -1.31 0.55 -0.05 2.90 -2.85 0.05 -3.99 119.74 115.04 1bkt s LYS 26 Ca -0.14 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.23 1bkt s LYS 26 Cb -0.09 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1bkt s LYS 26 CO -0.01 -0.14 0.18 0.00 0.10 0.00 0.00 175.35 175.49 1bkt n ILE 28 N 1.40 0.00 -1.52 0.00 2.08 -0.76 -4.91 119.36 115.64 1bkt n ILE 28 Ca -0.15 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.01 1bkt n ILE 28 Cb 0.54 -0.54 0.14 0.00 -0.75 0.00 0.00 39.64 39.03 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 -0.91 3.97 0.00 4.38 0.23 -1.26 -4.83 115.26 116.84 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 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.03 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 -1.02 3.07 3.99 4.83 0.00 -1.26 -5.04 105.19 109.75 1bkt n GLY 30 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.60 3.21 0.25 1.61 2.20 -1.26 -0.88 119.74 124.27 1bkt s LYS 31 Ca 0.00 -0.94 -0.09 0.00 -0.36 0.00 0.00 55.97 54.57 1bkt s LYS 31 Cb 0.00 -2.84 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1bkt s LYS 31 CO 0.00 0.16 0.57 0.00 -0.36 0.00 0.00 175.35 175.72 1bkt s ASP 33 N -2.49 0.87 0.38 0.00 2.15 -0.16 -3.22 116.67 114.20 1bkt s ASP 33 Ca 0.48 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 53.23 1bkt s ASP 33 Cb -0.11 -0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.42 1bkt s ASP 33 CO 0.22 -0.03 0.17 0.00 -0.17 0.00 0.00 175.17 175.36 1bkt n THR 35 N -1.21 2.67 -1.02 0.00 -1.04 -0.38 -1.59 114.28 111.72 1bkt n THR 35 Ca -0.02 -5.39 -0.29 0.00 -2.04 0.00 0.00 64.05 56.31 1bkt n THR 35 Cb 0.63 -1.25 0.22 0.00 -1.82 0.00 0.00 70.33 68.11 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 -3.38 -0.66 0.00 -2.82 0.04 -1.26 -3.78 135.00 123.14 1bkt s PRO 36 Ca 0.48 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1bkt s PRO 36 Cb 0.30 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 33.21 1bkt s PRO 36 CO -0.14 -3.41 0.00 1.17 0.04 0.00 0.00 177.00 174.67