#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqk s THR 2 N 0.00 5.20 -0.07 2.61 2.01 -1.26 -5.04 115.64 119.08 1wqk s THR 2 Ca 0.00 0.72 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 1wqk s THR 2 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1wqk s THR 2 CO 0.00 0.25 0.11 -0.89 -0.69 0.00 0.00 174.62 173.40 1wqk s THR 3 N 1.30 5.13 0.06 -0.82 2.01 -1.26 -0.48 115.64 121.58 1wqk s THR 3 Ca 0.19 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1wqk s THR 3 Cb -0.15 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1wqk s THR 3 CO 0.08 0.52 -0.08 0.00 -0.69 0.00 0.00 174.62 174.45 1wqk s TYR 5 N -1.91 2.75 -0.32 0.00 2.02 -1.26 0.08 117.35 118.71 1wqk s TYR 5 Ca -0.04 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1wqk s TYR 5 Cb -0.06 -1.67 0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1wqk s TYR 5 CO -0.01 0.16 0.02 0.00 -1.57 0.00 0.00 175.55 174.15 1wqk n GLY 7 N 4.37 1.38 0.01 0.00 0.00 -1.26 -1.54 105.19 108.15 1wqk n GLY 7 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wqk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqk n LYS 8 N 0.00 0.53 -3.71 1.61 -0.00 -1.26 -5.03 118.16 110.29 1wqk n LYS 8 Ca 0.00 -0.43 -0.37 0.00 -0.00 0.00 0.00 58.31 57.52 1wqk n LYS 8 Cb 0.00 -0.92 -0.07 0.00 -0.00 0.00 0.00 35.03 34.05 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wqk s THR 9 N -0.22 5.36 -0.22 0.58 2.01 -0.59 -5.07 115.64 117.50 1wqk s THR 9 Ca 0.00 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 1wqk s THR 9 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1wqk s THR 9 CO 0.01 0.54 0.32 -0.51 -0.69 0.00 0.00 174.62 174.28 1wqk s ILE 10 N -0.51 5.25 0.43 1.82 2.07 -1.26 -0.35 121.20 128.64 1wqk s ILE 10 Ca 0.16 0.52 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 1wqk s ILE 10 Cb -0.13 -3.65 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 1wqk s ILE 10 CO 0.05 0.28 0.12 -0.83 -1.91 0.00 0.00 174.94 172.65 1wqk s GLY 11 N 1.05 2.70 -0.09 1.50 0.00 0.11 -1.35 107.32 111.24 1wqk s GLY 11 Ca 0.15 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1wqk s GLY 11 CO 0.07 -1.87 -0.10 -1.50 0.00 0.00 0.00 173.10 169.69 1wqk s ILE 12 N -3.16 3.37 -0.57 0.90 -1.16 0.31 -0.78 121.20 120.12 1wqk s ILE 12 Ca 0.21 -0.58 -0.23 0.00 -0.51 0.00 0.00 60.65 59.54 1wqk s ILE 12 Cb 0.02 -2.39 0.05 0.00 0.61 0.00 0.00 42.46 40.75 1wqk s ILE 12 CO 0.13 0.56 0.91 -0.47 -2.81 0.00 0.00 174.94 173.27 1wqk s TYR 13 N -0.32 2.80 -0.95 3.50 5.04 0.37 -1.29 117.35 126.50 1wqk s TYR 13 Ca 0.04 -0.18 -0.20 0.00 -2.44 0.00 0.00 57.07 54.29 1wqk s TYR 13 Cb -0.13 -4.05 0.11 0.00 0.35 0.00 0.00 41.96 38.24 1wqk s TYR 13 CO 0.02 -1.38 1.20 -1.58 -1.34 0.00 0.00 175.55 172.48 1wqk s TRP 14 N 3.82 2.98 -0.14 4.97 0.52 0.58 -4.51 118.94 127.16 1wqk s TRP 14 Ca 0.27 -1.26 -0.29 0.00 0.02 0.00 0.00 56.10 54.84 1wqk s TRP 14 Cb -0.14 -4.38 -0.01 0.00 -1.15 0.00 0.00 33.47 27.80 1wqk s TRP 14 CO 0.16 -1.59 1.04 0.12 0.02 0.00 0.00 176.95 176.70 1wqk s PHE 15 N 3.21 3.41 0.00 -1.98 5.36 -1.26 -1.42 117.98 125.30 1wqk s PHE 15 Ca 0.36 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.83 1wqk s PHE 15 Cb -0.04 -3.24 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1wqk s PHE 15 CO -0.09 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 173.64 1wqk n GLY 16 N 3.20 1.53 3.31 13.12 0.00 -1.18 -5.02 105.19 120.16 1wqk n GLY 16 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1wqk n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wqk s THR 17 N -1.65 1.70 -0.25 2.61 -1.32 -1.23 -5.02 115.64 110.47 1wqk s THR 17 Ca 0.00 -1.87 0.13 0.00 -1.21 0.00 0.00 61.69 58.74 1wqk s THR 17 Cb 0.00 -1.77 0.29 0.00 -1.51 0.00 0.00 72.50 69.51 1wqk s THR 17 CO 0.00 -0.34 1.20 2.29 -2.21 0.00 0.00 174.62 175.57 1wqk n LYS 18 N 0.35 2.38 -4.27 7.08 2.85 -1.26 -3.21 118.16 122.09 1wqk n LYS 18 Ca -0.14 -2.31 -0.23 0.00 -1.05 0.00 0.00 58.31 54.59 1wqk n LYS 18 Cb 0.57 -1.43 -0.17 0.00 -0.65 0.00 0.00 35.03 33.35 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqk s THR 19 N -2.10 0.81 0.00 0.58 2.01 -1.26 -4.96 115.64 110.72 1wqk s THR 19 Ca 0.26 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1wqk s THR 19 Cb 0.20 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 1wqk s THR 19 CO 0.06 0.29 1.31 0.00 -0.69 0.00 0.00 174.62 175.60 1wqk s PRO 21 N 2.03 2.61 0.00 0.00 0.02 -1.26 -4.84 135.00 133.56 1wqk s PRO 21 Ca 0.61 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.53 1wqk s PRO 21 Cb -0.30 -4.41 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1wqk s PRO 21 CO 0.26 -2.73 0.80 -1.13 -0.33 0.00 0.00 177.00 173.87 1wqk n SER 22 N 13.11 2.24 0.01 2.53 3.41 -1.26 -3.31 113.62 130.35 1wqk n SER 22 Ca 0.24 -1.93 0.12 0.00 -0.26 0.00 0.00 58.87 57.04 1wqk n SER 22 Cb 0.52 -0.48 0.18 0.00 -0.26 0.00 0.00 64.21 64.17 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wqk n ASN 23 N 0.35 0.58 0.00 4.04 6.94 -1.26 -4.61 115.26 121.30 1wqk n ASN 23 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 1wqk n ASN 23 Cb 0.40 0.38 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wqk n ARG 24 N -1.62 0.00 0.00 -3.83 1.74 -1.21 -5.06 116.66 106.68 1wqk n ARG 24 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1wqk n ARG 24 Cb 0.36 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wqk n GLY 25 N 2.12 0.00 3.69 -0.13 0.00 -1.26 -5.05 105.19 104.56 1wqk n GLY 25 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wqk n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wqk s TYR 26 N 0.00 2.99 -0.27 1.61 2.02 -1.26 -4.52 117.35 117.91 1wqk s TYR 26 Ca 0.00 0.94 -0.13 0.00 -0.37 0.00 0.00 57.07 57.52 1wqk s TYR 26 Cb 0.00 -3.59 -0.12 0.00 -0.40 0.00 0.00 41.96 37.85 1wqk s TYR 26 CO 0.00 -2.11 -0.34 2.41 -1.57 0.00 0.00 175.55 173.94 1wqk n THR 27 N 4.57 1.46 -4.26 -0.71 -1.04 0.16 -4.94 114.28 109.52 1wqk n THR 27 Ca 0.12 -0.38 -0.25 0.00 -2.04 0.00 0.00 64.05 61.50 1wqk n THR 27 Cb 0.44 -1.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.04 1wqk n THR 27 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wqk s GLY 28 N -5.54 1.68 -0.01 3.41 0.00 -0.25 -4.99 107.32 101.63 1wqk s GLY 28 Ca -0.37 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1wqk s GLY 28 CO 0.47 -1.56 0.01 -0.56 0.00 0.00 0.00 173.10 171.46 1wqk s SER 29 N -3.27 0.08 -0.05 1.64 0.01 -1.26 -0.89 113.70 109.96 1wqk s SER 29 Ca 0.29 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.58 1wqk s SER 29 Cb -0.08 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1wqk s SER 29 CO 0.19 -0.04 -0.12 0.00 0.41 0.00 0.00 173.24 173.68 1wqk s GLY 31 N 0.40 2.86 0.17 0.00 0.00 -1.26 0.07 107.32 109.56 1wqk s GLY 31 Ca -0.09 1.20 0.01 0.00 0.00 0.00 0.00 44.72 45.84 1wqk s GLY 31 CO 0.02 1.71 0.03 -0.47 0.00 0.00 0.00 173.10 174.39 1wqk s TYR 32 N -1.37 1.14 -0.51 1.90 6.14 0.09 -4.73 117.35 120.01 1wqk s TYR 32 Ca 0.67 -1.11 -0.26 0.00 0.64 0.00 0.00 57.07 57.01 1wqk s TYR 32 Cb -0.36 -0.65 -0.07 0.00 0.42 0.00 0.00 41.96 41.29 1wqk s TYR 32 CO 0.44 -0.33 2.41 -0.06 0.64 0.00 0.00 175.55 178.65 1wqk s PHE 33 N -3.80 1.08 -1.44 4.97 0.08 -1.26 -1.49 117.98 116.11 1wqk s PHE 33 Ca 0.26 1.60 -0.02 0.00 0.12 0.00 0.00 56.93 58.89 1wqk s PHE 33 Cb 0.07 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 1wqk s PHE 33 CO 0.05 -2.46 0.22 1.28 -0.10 0.00 0.00 175.22 174.21 1wqk n LEU 34 N 16.12 -2.11 -3.84 -0.37 4.77 -1.26 -4.95 117.00 125.35 1wqk n LEU 34 Ca 0.37 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 1wqk n LEU 34 Cb 0.54 -2.59 0.02 0.00 -2.33 0.00 0.00 43.42 39.05 1wqk n LEU 34 CO 0.70 -0.03 0.67 -0.83 -1.33 0.00 0.00 177.39 176.57 1wqk s GLY 35 N -2.43 0.21 -0.06 -0.72 0.00 -0.56 -3.08 107.32 100.68 1wqk s GLY 35 Ca 0.11 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.35 1wqk s GLY 35 CO 0.13 1.01 -0.12 -1.50 0.00 0.00 0.00 173.10 172.62 1wqk s ILE 36 N -2.33 1.12 -0.52 0.90 2.07 -0.51 -0.73 121.20 121.20 1wqk s ILE 36 Ca 0.18 -0.49 -0.20 0.00 -1.41 0.00 0.00 60.65 58.73 1wqk s ILE 36 Cb -0.04 -1.01 0.06 0.00 0.13 0.00 0.00 42.46 41.60 1wqk s ILE 36 CO 0.08 0.35 0.71 0.00 -1.91 0.00 0.00 174.94 174.17 1wqk s TYR 39 N 1.26 1.52 0.66 0.00 -0.85 -0.07 -0.53 117.35 119.34 1wqk s TYR 39 Ca 0.06 -0.60 -0.11 0.00 -0.52 0.00 0.00 57.07 55.90 1wqk s TYR 39 Cb -0.14 -0.75 -0.01 0.00 0.38 0.00 0.00 41.96 41.43 1wqk s TYR 39 CO 0.05 0.23 1.05 -2.14 -1.52 0.00 0.00 175.55 173.23 1wqk s PRO 40 N -3.32 3.24 -0.59 -3.49 0.02 -1.26 -0.67 135.00 128.94 1wqk s PRO 40 Ca 0.17 0.73 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 1wqk s PRO 40 Cb -0.02 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1wqk s PRO 40 CO 0.04 -0.82 2.27 0.08 -0.33 0.00 0.00 177.00 178.24 1wqk s VAL 41 N -3.19 3.10 -2.37 3.83 1.01 -0.46 -4.60 120.40 117.73 1wqk s VAL 41 Ca 0.57 0.02 0.29 0.00 0.00 0.00 0.00 61.98 62.86 1wqk s VAL 41 Cb -0.12 -3.26 0.64 0.00 0.00 0.00 0.00 36.38 33.64 1wqk s VAL 41 CO 0.54 -0.25 1.87 -0.67 0.00 0.00 0.00 175.10 176.58