#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qky n GLU 2 N 0.00 0.00 -4.22 -0.67 0.28 -1.26 -5.15 120.64 109.62 1qky n GLU 2 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1qky n GLU 2 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1qky n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qky s ALA 3 N 0.00 1.49 -0.49 -1.84 0.00 -1.26 -5.12 121.76 114.54 1qky s ALA 3 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 51.96 50.11 1qky s ALA 3 Cb 0.00 1.38 0.14 0.00 0.00 0.00 0.00 23.12 24.65 1qky s ALA 3 CO 0.00 -0.69 0.30 0.42 0.00 0.00 0.00 175.76 175.78 1qky s ILE 4 N -3.42 1.64 0.16 0.00 1.01 -1.26 -5.08 121.20 114.25 1qky s ILE 4 Ca 0.38 -2.94 -0.31 0.00 0.00 0.00 0.00 60.65 57.78 1qky s ILE 4 Cb 0.02 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1qky s ILE 4 CO 0.24 -0.95 1.37 -0.60 0.00 0.00 0.00 174.94 175.01 1qky s ARG 5 N -0.06 4.34 0.49 2.79 3.52 -1.26 -0.48 118.95 128.29 1qky s ARG 5 Ca 0.21 2.10 0.02 0.00 -0.13 0.00 0.00 55.73 57.93 1qky s ARG 5 Cb -0.18 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1qky s ARG 5 CO -0.05 -0.37 0.70 0.00 -0.81 0.00 0.00 175.30 174.77 1qky n THR 7 N -2.17 0.00 -3.61 0.00 5.66 -1.26 -4.92 114.28 107.99 1qky n THR 7 Ca 0.05 -0.25 -0.02 0.00 -3.05 0.00 0.00 64.05 60.78 1qky n THR 7 Cb 0.59 0.61 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 1qky n THR 7 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qky s GLY 8 N -2.53 -0.34 0.14 1.09 0.00 -1.26 -5.04 107.32 99.38 1qky s GLY 8 Ca -0.00 1.21 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 1qky s GLY 8 CO 0.38 0.36 1.61 -0.84 0.00 0.00 0.00 173.10 174.61 1qky h THR 9 N 2.00 0.26 0.00 0.90 2.02 -1.97 -1.12 112.91 115.01 1qky h THR 9 Ca -0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1qky h THR 9 Cb 1.18 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1qky h THR 9 CO 0.25 0.00 -0.05 0.11 0.37 0.00 0.00 175.52 176.20 1qky h LYS 10 N -0.39 0.00 -0.56 6.66 1.57 -1.98 -3.13 116.57 118.75 1qky h LYS 10 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1qky h LYS 10 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1qky h LYS 10 CO -0.38 0.05 0.23 0.22 -0.57 0.00 0.00 179.45 179.00 1qky h ASP 11 N 0.00 0.72 0.32 0.86 3.58 -1.61 -0.78 116.42 119.52 1qky h ASP 11 Ca -0.00 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1qky h ASP 11 Cb 0.16 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1qky h ASP 11 CO 0.01 0.64 -0.07 0.00 -2.88 0.00 0.00 179.24 176.94 1qky h TYR 13 N 0.00 0.00 0.06 0.00 -1.99 -1.31 -0.90 116.97 112.82 1qky h TYR 13 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1qky h TYR 13 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1qky h TYR 13 CO 0.00 0.04 -0.03 0.82 -0.00 0.00 0.00 178.16 178.99 1qky h ILE 14 N 0.00 0.00 -0.59 -2.88 5.03 -1.64 -0.47 117.51 116.96 1qky h ILE 14 Ca -0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 64.86 64.69 1qky h ILE 14 Cb 0.47 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.23 1qky h ILE 14 CO 0.00 0.00 0.27 1.55 -0.68 0.00 0.00 178.15 179.30 1qky h PRO 15 N -0.11 0.83 0.05 2.37 0.13 -1.73 0.15 132.00 133.69 1qky h PRO 15 Ca -0.01 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qky h PRO 15 Cb 0.06 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1qky h PRO 15 CO 0.01 0.65 -0.03 0.00 -0.23 0.00 0.00 178.00 178.41 1qky h ARG 17 N -0.32 0.11 0.23 0.00 1.12 -0.61 0.30 114.38 115.21 1qky h ARG 17 Ca -0.01 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1qky h ARG 17 Cb 0.29 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1qky h ARG 17 CO 0.01 0.17 -0.11 1.88 -3.11 0.00 0.00 179.97 178.81 1qky h TYR 18 N 0.11 -0.29 0.29 2.20 0.05 -0.47 -2.89 116.97 115.97 1qky h TYR 18 Ca 0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1qky h TYR 18 Cb 0.16 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1qky h TYR 18 CO 0.00 -0.18 -0.14 0.82 -1.05 0.00 0.00 178.16 177.61 1qky h ILE 19 N -0.39 0.00 0.00 -2.88 2.04 -0.47 -3.26 117.51 112.55 1qky h ILE 19 Ca -0.03 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1qky h ILE 19 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1qky h ILE 19 CO 0.05 0.00 0.00 0.74 0.00 0.00 0.00 178.15 178.94 1qky h THR 20 N -0.92 0.00 0.00 -0.27 2.02 -0.59 -3.47 112.91 109.67 1qky h THR 20 Ca -0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1qky h THR 20 Cb 0.30 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1qky h THR 20 CO 0.06 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1qky n GLY 21 N -0.42 1.90 3.87 2.16 0.00 -0.81 -4.83 105.19 107.05 1qky n GLY 21 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1qky n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qky n PHE 23 N -1.12 0.00 -1.86 0.00 -1.74 -1.26 -3.80 117.46 107.68 1qky n PHE 23 Ca 0.02 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.56 1qky n PHE 23 Cb 0.54 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.50 1qky n PHE 23 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1qky s ASN 24 N -1.70 4.92 0.21 5.98 2.47 -1.26 -4.87 114.94 120.69 1qky s ASN 24 Ca 0.22 0.49 -0.14 0.00 0.42 0.00 0.00 52.86 53.85 1qky s ASN 24 Cb 0.10 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.39 1qky s ASN 24 CO 0.17 -2.65 0.47 -0.44 -3.72 0.00 0.00 177.10 170.94 1qky s SER 25 N 9.60 -0.14 0.14 -4.21 0.01 -1.26 -0.26 113.70 117.58 1qky s SER 25 Ca 0.79 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 57.08 1qky s SER 25 Cb -0.14 0.56 0.07 0.00 0.21 0.00 0.00 66.02 66.73 1qky s SER 25 CO 0.20 -1.07 0.60 -0.60 0.41 0.00 0.00 173.24 172.78 1qky s ARG 26 N -3.95 1.26 -0.23 12.44 3.52 0.56 -4.99 118.95 127.56 1qky s ARG 26 Ca 0.16 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1qky s ARG 26 Cb -0.00 0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 33.93 1qky s ARG 26 CO 0.03 -0.54 0.07 0.00 -0.81 0.00 0.00 175.30 174.05 1qky s ILE 28 N 1.22 0.80 -1.45 0.00 1.10 0.58 -4.71 121.20 118.74 1qky s ILE 28 Ca 0.05 -0.29 -0.09 0.00 -0.51 0.00 0.00 60.65 59.81 1qky s ILE 28 Cb -0.14 -0.76 0.05 0.00 0.15 0.00 0.00 42.46 41.76 1qky s ILE 28 CO 0.03 0.28 0.89 -3.20 -2.11 0.00 0.00 174.94 170.83 1qky n ASN 29 N 3.85 -3.60 0.00 4.50 5.15 -1.26 -0.32 115.26 123.58 1qky n ASN 29 Ca -0.24 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 1qky n ASN 29 Cb 0.52 -3.97 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 1qky n ASN 29 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1qky n LYS 30 N -4.56 -1.36 -3.70 1.20 4.81 -1.26 -4.94 118.16 108.36 1qky n LYS 30 Ca -0.08 0.28 -0.36 0.00 -0.87 0.00 0.00 58.31 57.28 1qky n LYS 30 Cb 0.58 -4.31 -0.07 0.00 0.02 0.00 0.00 35.03 31.25 1qky n LYS 30 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qky s SER 31 N -1.62 6.32 0.39 3.14 0.15 0.56 -0.20 113.70 122.43 1qky s SER 31 Ca 0.00 0.37 -0.27 0.00 0.70 0.00 0.00 55.95 56.74 1qky s SER 31 Cb 0.00 -2.12 -0.10 0.00 -1.71 0.00 0.00 66.02 62.10 1qky s SER 31 CO 0.00 0.20 1.40 0.00 1.20 0.00 0.00 173.24 176.04 1qky s LYS 33 N -2.12 0.18 0.36 0.00 -0.14 0.60 -4.75 119.74 113.87 1qky s LYS 33 Ca 0.54 0.15 0.05 0.00 -1.36 0.00 0.00 55.97 55.36 1qky s LYS 33 Cb -0.43 -0.47 -0.01 0.00 -1.68 0.00 0.00 37.83 35.24 1qky s LYS 33 CO 0.57 -0.19 0.51 0.00 -0.76 0.00 0.00 175.35 175.48 1qky s TYR 35 N -2.25 2.16 0.63 0.00 2.02 0.64 -4.92 117.35 115.63 1qky s TYR 35 Ca 0.46 -0.83 -0.15 0.00 -0.37 0.00 0.00 57.07 56.18 1qky s TYR 35 Cb -0.10 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1qky s TYR 35 CO 0.33 0.19 1.08 0.20 -1.57 0.00 0.00 175.55 175.78 1qky s GLY 36 N -3.56 2.11 0.72 0.71 0.00 -1.26 -4.74 107.32 101.30 1qky s GLY 36 Ca 0.35 0.44 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 1qky s GLY 36 CO 0.16 0.77 1.07 0.00 0.00 0.00 0.00 173.10 175.10