#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 -0.26 0.00 7.55 0.00 -1.26 -4.73 105.19 106.49 1bkt n GLY 2 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.71 0.00 -2.01 -0.61 -5.35 -1.21 -4.60 119.36 104.87 1bkt n ILE 3 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1bkt n ILE 3 Cb 0.05 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 -0.17 -4.45 7.28 5.15 -1.26 -5.01 115.26 116.80 1bkt n ASN 4 Ca 0.00 -0.69 -0.22 0.00 -0.60 0.00 0.00 54.58 53.07 1bkt n ASN 4 Cb 0.00 0.07 -0.10 0.00 -0.53 0.00 0.00 39.78 39.21 1bkt n ASN 4 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bkt s VAL 5 N 0.01 1.77 -0.13 3.44 1.01 -1.26 -5.00 120.40 120.24 1bkt s VAL 5 Ca 0.01 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 59.76 1bkt s VAL 5 Cb 0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1bkt s VAL 5 CO -0.01 -0.29 0.15 -0.54 0.00 0.00 0.00 175.10 174.41 1bkt s LYS 6 N -3.70 3.61 0.36 2.72 1.02 -1.26 -0.77 119.74 121.72 1bkt s LYS 6 Ca 0.30 -0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.23 1bkt s LYS 6 Cb 0.03 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1bkt s LYS 6 CO 0.13 0.68 -0.02 0.00 -0.92 0.00 0.00 175.35 175.21 1bkt n LYS 8 N -0.84 0.00 -4.54 0.00 5.02 -1.26 -4.70 118.16 111.84 1bkt n LYS 8 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 1bkt n LYS 8 Cb 0.65 -0.98 -0.08 0.00 -0.02 0.00 0.00 35.03 34.61 1bkt n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1bkt s HIS 9 N -1.99 1.80 -0.65 2.13 3.76 -1.26 -4.99 115.29 114.08 1bkt s HIS 9 Ca 0.00 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.70 1bkt s HIS 9 Cb 0.00 -1.21 0.23 0.00 1.11 0.00 0.00 32.58 32.71 1bkt s HIS 9 CO 0.00 -0.24 0.95 0.45 -0.85 0.00 0.00 174.74 175.05 1bkt n SER 10 N -1.30 2.55 0.00 1.40 2.88 -1.26 -2.93 113.62 114.96 1bkt n SER 10 Ca -0.07 -2.31 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1bkt n SER 10 Cb 0.65 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.15 0.00 0.36 0.46 0.00 -1.26 -4.15 105.19 100.75 1bkt n GLY 11 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 1.61 -0.00 -1.92 0.61 115.11 115.41 1bkt h GLN 12 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 58.26 1bkt h GLN 12 Cb 0.95 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.36 1bkt h GLN 12 CO 0.00 0.00 -2.47 0.00 0.00 0.00 0.00 178.83 176.36 1bkt h LEU 14 N 0.00 0.94 0.55 0.00 6.46 -1.09 -0.43 115.31 121.74 1bkt h LEU 14 Ca -0.58 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.14 1bkt h LEU 14 Cb 1.94 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1bkt h LEU 14 CO -0.08 0.65 -0.26 0.11 -0.62 0.00 0.00 178.44 178.24 1bkt h LYS 15 N 1.10 -0.71 -0.10 1.25 1.57 -1.47 -0.47 116.57 117.73 1bkt h LYS 15 Ca 0.34 0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1bkt h LYS 15 Cb -0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1bkt h LYS 15 CO -0.10 -0.40 -0.31 -1.00 -0.57 0.00 0.00 179.45 177.07 1bkt h PRO 16 N -0.93 0.19 0.74 3.15 0.13 -1.75 -0.88 132.00 132.65 1bkt h PRO 16 Ca -0.07 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1bkt h PRO 16 Cb 0.63 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.75 1bkt h PRO 16 CO 0.12 0.49 -0.36 0.00 -0.23 0.00 0.00 178.00 178.02 1bkt h LYS 18 N -1.11 -0.44 -0.31 0.00 1.79 -0.99 0.18 116.57 115.69 1bkt h LYS 18 Ca -0.10 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.49 1bkt h LYS 18 Cb 0.79 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1bkt h LYS 18 CO 0.17 -0.29 0.29 0.22 -1.08 0.00 0.00 179.45 178.75 1bkt h ASP 19 N -0.46 0.00 -0.15 0.86 1.82 -1.07 0.82 116.42 118.24 1bkt h ASP 19 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1bkt h ASP 19 Cb 0.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1bkt h ASP 19 CO -0.46 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.17 1bkt n ALA 20 N -2.44 2.47 0.00 -0.78 0.00 0.19 -4.94 120.51 115.01 1bkt n ALA 20 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1bkt n ALA 20 Cb 0.45 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.36 0.83 0.00 0.00 0.00 0.27 -5.03 105.19 102.62 1bkt n GLY 21 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.03 0.00 1.61 2.81 0.42 -4.89 117.12 119.10 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 0.11 -4.57 0.03 1.74 -1.26 -4.34 116.66 108.37 1bkt n ARG 23 Ca 0.00 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 1bkt n ARG 23 Cb 0.00 -0.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.76 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 -1.90 1.84 0.07 -1.55 0.40 -1.25 -4.65 117.98 110.94 1bkt s PHE 24 Ca -0.06 -1.16 0.04 0.00 -0.60 0.00 0.00 56.93 55.15 1bkt s PHE 24 Cb 0.01 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 1bkt s PHE 24 CO 0.09 -0.13 -0.12 0.20 0.70 0.00 0.00 175.22 175.96 1bkt s GLY 25 N -3.67 0.80 -0.09 4.36 0.00 -1.26 -1.28 107.32 106.19 1bkt s GLY 25 Ca 0.21 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1bkt s GLY 25 CO 0.12 -1.03 0.25 0.54 0.00 0.00 0.00 173.10 172.98 1bkt s LYS 26 N -1.89 0.32 -0.09 2.90 1.02 0.88 -4.41 119.74 118.47 1bkt s LYS 26 Ca -0.02 0.29 -0.07 0.00 0.02 0.00 0.00 55.97 56.19 1bkt s LYS 26 Cb -0.09 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1bkt s LYS 26 CO 0.02 -0.05 0.16 0.00 -0.92 0.00 0.00 175.35 174.56 1bkt n ILE 28 N 1.79 0.00 -1.54 0.00 2.08 -0.73 -4.91 119.36 116.05 1bkt n ILE 28 Ca -0.18 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.95 1bkt n ILE 28 Cb 0.54 -0.57 0.13 0.00 -0.75 0.00 0.00 39.64 38.99 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 -1.00 4.28 0.00 4.38 0.23 -1.26 -4.83 115.26 117.06 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 -0.99 2.88 3.98 4.83 0.00 -1.26 -5.04 105.19 109.58 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 -0.45 3.05 0.25 1.61 2.20 -1.26 -0.96 119.74 124.18 1bkt s LYS 31 Ca 0.00 -1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 54.43 1bkt s LYS 31 Cb 0.00 -2.78 -0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1bkt s LYS 31 CO 0.00 0.04 0.60 0.00 -0.36 0.00 0.00 175.35 175.63 1bkt s ASP 33 N -2.29 1.08 0.32 0.00 -1.08 0.11 -3.30 116.67 111.51 1bkt s ASP 33 Ca 0.48 -0.16 0.08 0.00 -0.52 0.00 0.00 52.55 52.43 1bkt s ASP 33 Cb -0.11 -0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 40.97 1bkt s ASP 33 CO 0.20 0.04 0.15 0.00 0.52 0.00 0.00 175.17 176.07 1bkt n THR 35 N -1.15 2.69 -1.42 0.00 -1.04 -0.40 -4.13 114.28 108.83 1bkt n THR 35 Ca -0.04 -5.40 -0.29 0.00 -2.04 0.00 0.00 64.05 56.29 1bkt n THR 35 Cb 0.60 -1.26 0.15 0.00 -1.82 0.00 0.00 70.33 68.01 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 -3.39 0.90 0.00 -2.82 0.04 -1.26 -3.81 135.00 124.66 1bkt s PRO 36 Ca 0.48 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1bkt s PRO 36 Cb 0.30 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1bkt s PRO 36 CO -0.14 -2.38 0.00 1.17 0.04 0.00 0.00 177.00 175.70