#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 -1.81 0.00 7.55 0.00 -1.26 -3.22 105.19 106.45 1bkt n GLY 2 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.38 0.00 -2.05 -0.61 -5.35 -1.15 -4.66 119.36 103.17 1bkt n ILE 3 Ca -0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.46 1bkt n ILE 3 Cb 0.42 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.33 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 -4.41 7.28 2.85 -1.26 -5.00 115.26 114.38 1bkt n ASN 4 Ca 0.00 -0.91 -0.21 0.00 -0.11 0.00 0.00 54.58 53.36 1bkt n ASN 4 Cb 0.00 0.13 -0.10 0.00 1.24 0.00 0.00 39.78 41.05 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 0.02 1.85 -0.14 3.44 1.01 -1.26 -5.00 120.40 120.32 1bkt s VAL 5 Ca 0.01 -2.21 -0.08 0.00 0.00 0.00 0.00 61.98 59.70 1bkt s VAL 5 Cb 0.06 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1bkt s VAL 5 CO -0.02 -0.43 0.14 -0.54 0.00 0.00 0.00 175.10 174.26 1bkt s LYS 6 N -3.65 3.67 0.35 2.72 1.02 -1.26 -0.63 119.74 121.95 1bkt s LYS 6 Ca 0.27 -0.14 0.07 0.00 0.02 0.00 0.00 55.97 56.18 1bkt s LYS 6 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.99 1bkt s LYS 6 CO 0.11 0.64 -0.02 0.00 -0.92 0.00 0.00 175.35 175.15 1bkt n LYS 8 N -0.78 0.01 -4.55 0.00 5.02 -1.26 -4.68 118.16 111.92 1bkt n LYS 8 Ca -0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1bkt n LYS 8 Cb 0.65 -0.99 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 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 -2.01 1.81 -0.93 2.13 3.76 -1.26 -5.00 115.29 113.80 1bkt s HIS 9 Ca -0.01 -1.22 0.03 0.00 -0.15 0.00 0.00 55.06 53.72 1bkt s HIS 9 Cb 0.00 -1.24 0.17 0.00 1.11 0.00 0.00 32.58 32.63 1bkt s HIS 9 CO 0.01 -0.20 0.79 0.45 -0.85 0.00 0.00 174.74 174.94 1bkt n SER 10 N -1.28 1.92 -0.01 1.40 2.88 -1.26 -2.90 113.62 114.37 1bkt n SER 10 Ca -0.08 -2.18 -0.02 0.00 -1.33 0.00 0.00 58.87 55.25 1bkt n SER 10 Cb 0.65 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.18 -0.04 0.39 0.46 0.00 -1.26 -4.01 105.19 100.90 1bkt n GLY 11 Ca 0.06 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.08 0.00 0.01 1.61 -0.00 -1.93 0.60 115.11 115.33 1bkt h GLN 12 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.21 1bkt h GLN 12 Cb 1.05 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.47 1bkt h GLN 12 CO -0.03 0.00 -2.41 0.00 0.00 0.00 0.00 178.83 176.38 1bkt h LEU 14 N 0.01 0.59 0.57 0.00 6.46 -1.05 -0.67 115.31 121.21 1bkt h LEU 14 Ca -0.56 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.20 1bkt h LEU 14 Cb 1.96 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1bkt h LEU 14 CO -0.05 0.39 -0.27 0.11 -0.62 0.00 0.00 178.44 177.99 1bkt h LYS 15 N 0.72 -0.74 -0.31 1.25 1.79 -1.53 -1.15 116.57 116.60 1bkt h LYS 15 Ca 0.29 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.71 1bkt h LYS 15 Cb 0.14 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1bkt h LYS 15 CO -0.16 -0.49 -0.23 -1.00 -1.08 0.00 0.00 179.45 176.49 1bkt h PRO 16 N -0.77 0.59 0.36 3.15 0.13 -1.76 -0.47 132.00 133.23 1bkt h PRO 16 Ca -0.08 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1bkt h PRO 16 Cb 0.59 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1bkt h PRO 16 CO 0.13 0.78 -0.27 0.00 -0.23 0.00 0.00 178.00 178.41 1bkt h LYS 18 N -0.60 0.28 -0.06 0.00 2.10 -1.24 0.09 116.57 117.14 1bkt h LYS 18 Ca -0.05 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1bkt h LYS 18 Cb 0.50 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1bkt h LYS 18 CO 0.02 0.19 0.11 0.22 -2.00 0.00 0.00 179.45 177.99 1bkt h ASP 19 N 0.29 0.00 0.04 7.07 3.58 -0.93 0.74 116.42 127.20 1bkt h ASP 19 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1bkt h ASP 19 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1bkt h ASP 19 CO -0.13 0.00 -0.48 0.00 -2.88 0.00 0.00 179.24 175.74 1bkt n ALA 20 N -2.20 3.58 0.00 -0.78 0.00 0.18 -4.94 120.51 116.35 1bkt n ALA 20 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1bkt n ALA 20 Cb 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.41 1.11 0.00 0.00 0.00 0.24 -5.05 105.19 102.90 1bkt n GLY 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.03 2.27 0.01 1.61 2.81 -0.12 -4.79 117.12 118.89 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 0.05 -4.66 0.03 1.74 -1.26 -4.18 116.66 108.37 1bkt n ARG 23 Ca 0.00 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 1bkt n ARG 23 Cb 0.00 -0.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.61 1.78 0.20 -1.55 0.40 -1.24 -4.43 117.98 111.53 1bkt s PHE 24 Ca -0.03 -1.15 0.07 0.00 -0.60 0.00 0.00 56.93 55.22 1bkt s PHE 24 Cb 0.00 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 1bkt s PHE 24 CO 0.04 -0.05 -0.12 0.20 0.70 0.00 0.00 175.22 175.99 1bkt s GLY 25 N -3.78 1.40 -0.22 4.36 0.00 -1.26 -1.29 107.32 106.53 1bkt s GLY 25 Ca 0.11 -1.65 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 1bkt s GLY 25 CO 0.07 -1.73 0.58 1.25 0.00 0.00 0.00 173.10 173.27 1bkt s LYS 26 N -3.68 0.63 -0.08 2.90 2.36 0.14 -4.58 119.74 117.43 1bkt s LYS 26 Ca 0.22 0.90 -0.07 0.00 -2.55 0.00 0.00 55.97 54.48 1bkt s LYS 26 Cb 0.01 0.22 -0.04 0.00 -1.05 0.00 0.00 37.83 36.97 1bkt s LYS 26 CO 0.06 -0.11 0.18 0.00 1.55 0.00 0.00 175.35 177.03 1bkt n ILE 28 N 1.75 0.00 -1.57 0.00 5.41 -0.69 -4.91 119.36 119.35 1bkt n ILE 28 Ca -0.18 0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.38 1bkt n ILE 28 Cb 0.54 -0.66 0.11 0.00 -0.71 0.00 0.00 39.64 38.93 1bkt n ILE 28 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1bkt n ASN 29 N -1.22 4.73 0.00 4.38 0.23 -1.26 -4.81 115.26 117.31 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 -0.95 3.27 3.98 4.83 0.00 -1.26 -5.03 105.19 110.02 1bkt n GLY 30 Ca 0.47 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.72 2.98 0.23 1.61 2.20 -1.26 -1.08 119.74 123.70 1bkt s LYS 31 Ca 0.00 -1.12 -0.14 0.00 -0.36 0.00 0.00 55.97 54.35 1bkt s LYS 31 Cb 0.00 -2.76 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1bkt s LYS 31 CO 0.00 -0.04 0.64 0.00 -0.36 0.00 0.00 175.35 175.58 1bkt s ASP 33 N -2.04 1.41 0.36 0.00 2.15 0.63 -2.95 116.67 116.24 1bkt s ASP 33 Ca 0.46 -0.23 0.08 0.00 0.43 0.00 0.00 52.55 53.29 1bkt s ASP 33 Cb -0.13 -0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 41.91 1bkt s ASP 33 CO 0.19 0.03 0.22 0.00 -0.17 0.00 0.00 175.17 175.45 1bkt n THR 35 N -1.28 2.83 -0.81 0.00 -1.04 -0.41 -2.12 114.28 111.45 1bkt n THR 35 Ca -0.02 -5.50 -0.30 0.00 -2.04 0.00 0.00 64.05 56.20 1bkt n THR 35 Cb 0.61 -1.39 0.26 0.00 -1.82 0.00 0.00 70.33 67.99 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 -3.33 -1.80 0.00 -2.82 0.04 -1.26 -3.64 135.00 122.19 1bkt s PRO 36 Ca 0.48 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1bkt s PRO 36 Cb 0.27 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 33.30 1bkt s PRO 36 CO -0.13 -4.12 0.00 1.63 0.04 0.00 0.00 177.00 174.42