#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 4.03 0.00 7.63 0.00 -1.26 0.51 105.19 116.10 1bkt n GLY 2 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.10 0.00 -1.98 -0.61 -5.35 -1.19 -4.74 119.36 105.39 1bkt n ILE 3 Ca -0.01 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.45 1bkt n ILE 3 Cb 0.06 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 -0.41 -4.31 7.28 5.15 -1.26 -5.02 115.26 116.70 1bkt n ASN 4 Ca 0.00 -0.95 -0.21 0.00 -0.60 0.00 0.00 54.58 52.83 1bkt n ASN 4 Cb 0.00 0.15 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.02 1.68 -0.17 3.44 1.01 -1.26 -5.01 120.40 120.10 1bkt s VAL 5 Ca 0.01 -1.86 -0.09 0.00 0.00 0.00 0.00 61.98 60.04 1bkt s VAL 5 Cb 0.05 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1bkt s VAL 5 CO -0.02 -0.34 0.13 -0.54 0.00 0.00 0.00 175.10 174.34 1bkt s LYS 6 N -2.76 3.95 0.33 2.72 1.02 -1.26 -0.27 119.74 123.47 1bkt s LYS 6 Ca 0.14 -0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.01 1bkt s LYS 6 Cb -0.05 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.84 1bkt s LYS 6 CO 0.05 0.45 -0.03 0.00 -0.92 0.00 0.00 175.35 174.91 1bkt n LYS 8 N -0.74 0.69 -4.55 0.00 4.76 -1.26 -4.54 118.16 112.52 1bkt n LYS 8 Ca -0.05 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.15 1bkt n LYS 8 Cb 0.65 -1.06 -0.09 0.00 -1.84 0.00 0.00 35.03 32.69 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 -2.06 1.95 -0.25 2.13 3.76 -1.26 -5.00 115.29 114.57 1bkt s HIS 9 Ca -0.03 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 1bkt s HIS 9 Cb 0.01 -1.36 0.24 0.00 1.11 0.00 0.00 32.58 32.57 1bkt s HIS 9 CO 0.07 -0.00 1.74 0.43 -0.85 0.00 0.00 174.74 176.13 1bkt n SER 10 N -1.03 5.01 0.00 1.40 7.64 -1.26 -3.25 113.62 122.12 1bkt n SER 10 Ca -0.07 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1bkt n SER 10 Cb 0.66 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.16 -0.01 0.22 0.23 0.00 -1.26 -4.22 105.19 100.32 1bkt n GLY 11 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1bkt n GLY 11 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bkt h GLN 12 N 0.00 0.00 0.00 1.61 4.20 -1.96 -0.03 115.11 118.92 1bkt h GLN 12 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1bkt h GLN 12 Cb 0.78 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.49 1bkt h GLN 12 CO 0.00 0.00 -2.43 0.00 -0.67 0.00 0.00 178.83 175.73 1bkt h LEU 14 N -0.13 0.27 0.80 0.00 6.46 -1.21 -0.43 115.31 121.07 1bkt h LEU 14 Ca -0.57 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.20 1bkt h LEU 14 Cb 1.83 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.76 1bkt h LEU 14 CO -0.13 0.18 -0.49 0.11 -0.62 0.00 0.00 178.44 177.49 1bkt h LYS 15 N 0.42 -1.16 -0.17 1.25 6.56 -1.57 -1.14 116.57 120.77 1bkt h LYS 15 Ca 0.24 0.08 -0.08 0.00 -1.06 0.00 0.00 60.65 59.83 1bkt h LYS 15 Cb 0.22 0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 1bkt h LYS 15 CO -0.21 -0.77 -0.24 -1.00 -2.06 0.00 0.00 179.45 175.16 1bkt h PRO 16 N -1.20 0.30 0.90 3.15 0.13 -1.76 -0.94 132.00 132.57 1bkt h PRO 16 Ca -0.11 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1bkt h PRO 16 Cb 0.96 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.08 1bkt h PRO 16 CO 0.11 0.53 -0.44 0.00 -0.23 0.00 0.00 178.00 177.96 1bkt h LYS 18 N -1.22 -0.48 0.00 0.00 1.63 -1.06 0.20 116.57 115.65 1bkt h LYS 18 Ca -0.12 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1bkt h LYS 18 Cb 0.94 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1bkt h LYS 18 CO 0.20 -0.32 -0.00 -0.44 -3.45 0.00 0.00 179.45 175.44 1bkt h ASP 19 N -0.50 0.00 -0.01 4.20 5.19 -1.07 -0.35 116.42 123.89 1bkt h ASP 19 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1bkt h ASP 19 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1bkt h ASP 19 CO -0.30 0.00 -0.18 0.00 -3.12 0.00 0.00 179.24 175.64 1bkt n ALA 20 N -2.09 2.89 0.00 3.45 0.00 0.28 -4.94 120.51 120.10 1bkt n ALA 20 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1bkt n ALA 20 Cb 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.18 0.00 0.00 0.00 -0.16 -5.03 105.19 102.54 1bkt n GLY 21 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.11 2.12 0.01 1.61 2.81 0.54 -4.87 117.12 119.23 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 0.13 -4.17 0.03 3.00 -1.24 -4.24 116.66 110.17 1bkt n ARG 23 Ca 0.00 0.05 -0.25 0.00 -0.01 0.00 0.00 57.85 57.65 1bkt n ARG 23 Cb 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 32.46 31.72 1bkt n ARG 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1bkt n PHE 24 N -3.60 0.52 -4.20 -1.55 3.01 -1.25 -4.53 117.46 105.86 1bkt n PHE 24 Ca -0.04 -2.21 -0.17 0.00 1.01 0.00 0.00 57.45 56.05 1bkt n PHE 24 Cb 0.13 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 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 -3.26 0.95 -0.17 1.37 0.00 -1.26 -1.04 107.32 103.91 1bkt s GLY 25 Ca 0.10 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1bkt s GLY 25 CO 0.07 -1.26 0.42 1.25 0.00 0.00 0.00 173.10 173.58 1bkt s LYS 26 N -2.57 0.46 -0.06 2.90 2.20 0.20 -4.54 119.74 118.34 1bkt s LYS 26 Ca 0.06 0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 56.29 1bkt s LYS 26 Cb -0.05 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1bkt s LYS 26 CO 0.02 -0.10 0.17 0.00 -0.36 0.00 0.00 175.35 175.08 1bkt n ILE 28 N 1.45 0.00 -1.54 0.00 2.08 -0.77 -4.92 119.36 115.66 1bkt n ILE 28 Ca -0.15 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.98 1bkt n ILE 28 Cb 0.54 -0.49 0.13 0.00 -0.75 0.00 0.00 39.64 39.07 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 -0.80 4.35 0.00 4.38 0.23 -1.26 -4.82 115.26 117.34 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 3.19 4.00 4.83 0.00 -1.26 -5.04 105.19 109.92 1bkt n GLY 30 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.74 3.04 0.23 1.61 2.47 -1.26 -0.48 119.74 124.61 1bkt s LYS 31 Ca 0.00 -1.08 -0.08 0.00 -1.56 0.00 0.00 55.97 53.25 1bkt s LYS 31 Cb 0.00 -2.80 -0.07 0.00 -1.46 0.00 0.00 37.83 33.50 1bkt s LYS 31 CO 0.00 -0.03 0.53 0.00 0.16 0.00 0.00 175.35 176.01 1bkt s ASP 33 N -2.53 1.07 0.54 0.00 2.15 0.65 -3.19 116.67 115.36 1bkt s ASP 33 Ca 0.46 -0.04 0.09 0.00 0.43 0.00 0.00 52.55 53.49 1bkt s ASP 33 Cb -0.11 -0.31 0.07 0.00 -0.30 0.00 0.00 42.92 42.27 1bkt s ASP 33 CO 0.23 -0.16 0.75 0.00 -0.17 0.00 0.00 175.17 175.82 1bkt n THR 35 N -2.17 3.13 -0.50 0.00 -1.04 -0.20 -4.75 114.28 108.75 1bkt n THR 35 Ca 0.14 -5.46 -0.31 0.00 -2.04 0.00 0.00 64.05 56.38 1bkt n THR 35 Cb 0.61 -1.85 0.28 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.94 -2.75 0.00 -2.82 0.04 -1.26 -3.62 135.00 121.64 1bkt s PRO 36 Ca 0.42 0.06 0.17 0.00 0.04 0.00 0.00 61.00 61.69 1bkt s PRO 36 Cb 0.18 -1.41 0.14 0.00 0.04 0.00 0.00 34.50 33.45 1bkt s PRO 36 CO -0.05 -4.74 1.04 0.36 0.04 0.00 0.00 177.00 173.66