#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 -1.63 0.00 7.63 0.00 -1.26 -4.65 105.19 105.28 1bkt n GLY 2 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.19 0.00 -2.11 -0.61 -5.35 -1.18 -4.63 119.36 103.29 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 0.18 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.27 -4.41 7.28 2.85 -1.26 -5.00 115.26 114.45 1bkt n ASN 4 Ca 0.00 -0.88 -0.21 0.00 -0.11 0.00 0.00 54.58 53.38 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 1.98 -0.13 3.44 1.01 -1.26 -4.99 120.40 120.47 1bkt s VAL 5 Ca 0.01 -2.26 -0.07 0.00 0.00 0.00 0.00 61.98 59.66 1bkt s VAL 5 Cb 0.05 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1bkt s VAL 5 CO -0.01 -0.45 0.14 -0.54 0.00 0.00 0.00 175.10 174.23 1bkt s LYS 6 N -3.62 3.52 0.32 2.72 1.02 -1.26 -0.60 119.74 121.84 1bkt s LYS 6 Ca 0.27 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.18 1bkt s LYS 6 Cb -0.01 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1bkt s LYS 6 CO 0.11 0.73 -0.01 0.00 -0.92 0.00 0.00 175.35 175.26 1bkt n LYS 8 N -0.69 0.52 -4.49 0.00 5.02 -1.26 -4.67 118.16 112.59 1bkt n LYS 8 Ca -0.04 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 1bkt n LYS 8 Cb 0.65 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 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 -2.06 1.82 -0.15 2.13 3.76 -1.26 -5.02 115.29 114.50 1bkt s HIS 9 Ca -0.04 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1bkt s HIS 9 Cb 0.01 -1.18 0.16 0.00 1.11 0.00 0.00 32.58 32.67 1bkt s HIS 9 CO 0.08 -0.21 1.59 0.45 -0.85 0.00 0.00 174.74 175.80 1bkt n SER 10 N -1.10 4.47 0.00 1.40 2.88 -1.26 -3.25 113.62 116.76 1bkt n SER 10 Ca -0.05 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1bkt n SER 10 Cb 0.65 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.41 0.00 0.00 0.46 0.00 -1.26 -4.39 105.19 100.41 1bkt n GLY 11 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1bkt n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bkt n GLN 12 N -2.75 0.03 -0.09 1.61 6.02 -1.20 -1.51 117.38 119.49 1bkt n GLN 12 Ca 0.00 0.33 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 1bkt n GLN 12 Cb 0.35 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 1bkt n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bkt h LEU 14 N -0.04 0.45 0.62 0.00 6.46 -1.47 -0.62 115.31 120.70 1bkt h LEU 14 Ca -0.42 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1bkt h LEU 14 Cb 1.62 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 41.49 1bkt h LEU 14 CO -0.08 0.31 -0.30 0.11 -0.62 0.00 0.00 178.44 177.87 1bkt h LYS 15 N 0.58 -0.80 -0.26 1.25 1.79 -1.71 -1.00 116.57 116.43 1bkt h LYS 15 Ca 0.24 0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.67 1bkt h LYS 15 Cb 0.12 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1bkt h LYS 15 CO -0.15 -0.52 -0.24 -1.00 -1.08 0.00 0.00 179.45 176.45 1bkt h PRO 16 N -0.85 0.49 0.60 3.15 0.13 -1.78 -0.36 132.00 133.40 1bkt h PRO 16 Ca -0.08 -0.18 -0.03 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 0.70 -0.29 0.00 -0.23 0.00 0.00 178.00 178.32 1bkt h LYS 18 N -0.82 0.53 0.00 0.00 5.09 -1.21 0.57 116.57 120.73 1bkt h LYS 18 Ca -0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.62 1bkt h LYS 18 Cb 0.62 -0.12 -0.00 0.00 0.10 0.00 0.00 32.23 32.83 1bkt h LYS 18 CO 0.14 0.35 -0.03 0.22 -2.09 0.00 0.00 179.45 178.04 1bkt h ASP 19 N 0.55 0.00 -0.06 7.07 1.82 -0.95 -0.43 116.42 124.41 1bkt h ASP 19 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1bkt h ASP 19 Cb 0.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1bkt h ASP 19 CO -0.20 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.46 1bkt n ALA 20 N -2.31 2.48 0.00 -0.78 0.00 0.17 -4.93 120.51 115.13 1bkt n ALA 20 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1bkt n ALA 20 Cb 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.33 1.06 0.00 0.00 0.00 -0.19 -5.04 105.19 102.35 1bkt n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.02 2.14 0.00 1.61 2.81 -0.07 -4.90 117.12 118.69 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 0.09 -4.64 0.03 1.74 -1.26 -4.23 116.66 108.39 1bkt n ARG 23 Ca 0.00 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1bkt n ARG 23 Cb 0.00 -0.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.69 1.76 0.12 -1.55 0.40 -1.25 -4.51 117.98 111.27 1bkt s PHE 24 Ca -0.05 -1.21 0.07 0.00 -0.60 0.00 0.00 56.93 55.13 1bkt s PHE 24 Cb 0.01 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1bkt s PHE 24 CO 0.07 -0.14 -0.16 0.20 0.70 0.00 0.00 175.22 175.90 1bkt s GLY 25 N -3.75 1.12 -0.08 4.36 0.00 -1.26 -1.27 107.32 106.44 1bkt s GLY 25 Ca 0.13 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 1bkt s GLY 25 CO 0.09 -1.32 0.20 0.54 0.00 0.00 0.00 173.10 172.61 1bkt s LYS 26 N -2.46 0.22 -0.12 2.90 1.02 0.91 -4.51 119.74 117.70 1bkt s LYS 26 Ca 0.08 0.32 -0.08 0.00 0.02 0.00 0.00 55.97 56.31 1bkt s LYS 26 Cb -0.06 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1bkt s LYS 26 CO 0.04 -0.06 0.17 0.00 -0.92 0.00 0.00 175.35 174.57 1bkt n ILE 28 N 2.15 0.00 -1.56 0.00 5.41 -0.69 -4.91 119.36 119.76 1bkt n ILE 28 Ca -0.19 0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.37 1bkt n ILE 28 Cb 0.54 -0.62 0.12 0.00 -0.71 0.00 0.00 39.64 38.97 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 -1.19 4.59 0.00 4.38 0.23 -1.26 -4.82 115.26 117.19 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 -0.96 3.16 3.95 4.83 0.00 -1.26 -5.03 105.19 109.88 1bkt n GLY 30 Ca 0.46 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 -0.63 2.81 0.19 1.61 2.20 -1.26 -0.97 119.74 123.69 1bkt s LYS 31 Ca 0.00 -1.27 -0.12 0.00 -0.36 0.00 0.00 55.97 54.22 1bkt s LYS 31 Cb 0.00 -2.65 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 1bkt s LYS 31 CO 0.00 -0.13 0.55 0.00 -0.36 0.00 0.00 175.35 175.42 1bkt s ASP 33 N -2.05 1.41 0.33 0.00 -1.08 0.38 -3.13 116.67 112.52 1bkt s ASP 33 Ca 0.43 -0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.27 1bkt s ASP 33 Cb -0.13 -0.14 -0.04 0.00 -1.46 0.00 0.00 42.92 41.15 1bkt s ASP 33 CO 0.20 0.11 0.10 0.00 0.52 0.00 0.00 175.17 176.10 1bkt n THR 35 N -1.09 2.74 -1.44 0.00 -1.04 -0.40 -4.25 114.28 108.80 1bkt n THR 35 Ca -0.04 -5.38 -0.29 0.00 -2.04 0.00 0.00 64.05 56.30 1bkt n THR 35 Cb 0.61 -1.28 0.14 0.00 -1.82 0.00 0.00 70.33 67.98 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 1.17 0.00 -2.82 0.04 -1.26 -3.75 135.00 124.96 1bkt s PRO 36 Ca 0.48 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1bkt s PRO 36 Cb 0.31 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1bkt s PRO 36 CO -0.14 -2.21 0.00 1.17 0.04 0.00 0.00 177.00 175.86