#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqk n THR 2 N 0.00 1.52 -2.12 2.61 -2.24 -1.26 -4.89 114.28 107.89 1wqk n THR 2 Ca 0.00 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1wqk n THR 2 Cb 0.00 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1wqk n THR 2 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wqk s THR 3 N -1.97 3.72 0.18 4.28 2.01 -1.26 -0.72 115.64 121.88 1wqk s THR 3 Ca 0.34 0.82 0.10 0.00 0.31 0.00 0.00 61.69 63.26 1wqk s THR 3 Cb 0.24 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1wqk s THR 3 CO 0.12 -0.26 -0.21 0.00 -0.69 0.00 0.00 174.62 173.58 1wqk s TYR 5 N -1.85 1.17 -0.53 0.00 2.02 -1.26 0.19 117.35 117.09 1wqk s TYR 5 Ca 0.18 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 1wqk s TYR 5 Cb -0.07 -1.04 0.13 0.00 -0.40 0.00 0.00 41.96 40.59 1wqk s TYR 5 CO 0.08 -0.41 0.45 0.00 -1.57 0.00 0.00 175.55 174.11 1wqk n GLY 7 N 5.04 0.90 0.04 0.00 0.00 -1.26 -1.10 105.19 108.80 1wqk n GLY 7 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1wqk n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wqk n LYS 8 N 0.00 1.15 -3.08 1.61 5.02 -1.26 -4.99 118.16 116.61 1wqk n LYS 8 Ca 0.00 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.82 1wqk n LYS 8 Cb 0.00 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wqk s THR 9 N -2.65 5.00 0.06 -0.18 2.01 -0.26 -5.03 115.64 114.59 1wqk s THR 9 Ca -0.06 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 1wqk s THR 9 Cb 0.06 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1wqk s THR 9 CO 0.57 0.10 1.02 -0.51 -0.69 0.00 0.00 174.62 175.11 1wqk s ILE 10 N 1.91 4.55 0.16 1.82 2.07 -1.26 -0.20 121.20 130.25 1wqk s ILE 10 Ca 0.30 1.93 0.02 0.00 -1.41 0.00 0.00 60.65 61.50 1wqk s ILE 10 Cb -0.16 -4.24 -0.01 0.00 0.13 0.00 0.00 42.46 38.18 1wqk s ILE 10 CO 0.11 0.21 0.09 0.61 -1.91 0.00 0.00 174.94 174.04 1wqk n GLY 11 N 2.69 3.66 3.32 1.50 0.00 0.13 -1.13 105.19 115.36 1wqk n GLY 11 Ca 0.05 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1wqk n GLY 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wqk s ILE 12 N -2.36 2.54 -0.69 -0.61 -1.16 0.09 -1.17 121.20 117.84 1wqk s ILE 12 Ca 0.12 -0.87 -0.25 0.00 -0.51 0.00 0.00 60.65 59.14 1wqk s ILE 12 Cb 0.01 -1.99 0.05 0.00 0.61 0.00 0.00 42.46 41.13 1wqk s ILE 12 CO 0.09 0.56 1.11 -0.47 -2.81 0.00 0.00 174.94 173.41 1wqk s TYR 13 N 0.02 2.50 -0.90 3.50 5.04 0.10 -1.16 117.35 126.46 1wqk s TYR 13 Ca -0.07 -0.32 -0.25 0.00 -2.44 0.00 0.00 57.07 54.00 1wqk s TYR 13 Cb -0.15 -4.44 0.04 0.00 0.35 0.00 0.00 41.96 37.76 1wqk s TYR 13 CO 0.05 -1.84 1.37 -1.58 -1.34 0.00 0.00 175.55 172.21 1wqk s TRP 14 N 4.81 2.43 -0.48 4.97 0.52 0.12 -4.86 118.94 126.45 1wqk s TRP 14 Ca 0.28 -0.50 -0.29 0.00 0.02 0.00 0.00 56.10 55.61 1wqk s TRP 14 Cb -0.13 -4.66 0.03 0.00 -1.15 0.00 0.00 33.47 27.56 1wqk s TRP 14 CO 0.12 -1.99 1.17 0.12 0.02 0.00 0.00 176.95 176.39 1wqk s PHE 15 N 5.27 2.77 0.00 -1.98 5.36 -1.26 -1.20 117.98 126.94 1wqk s PHE 15 Ca 0.41 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1wqk s PHE 15 Cb -0.04 -4.44 0.00 0.00 -0.34 0.00 0.00 43.02 38.20 1wqk s PHE 15 CO 0.01 -1.35 0.00 0.41 -1.46 0.00 0.00 175.22 172.83 1wqk n GLY 16 N 4.89 1.37 3.10 13.12 0.00 -1.13 -5.01 105.19 121.53 1wqk n GLY 16 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.63 0.67 -0.45 2.61 -1.32 -1.23 -5.01 115.64 110.28 1wqk s THR 17 Ca 0.00 -1.29 0.05 0.00 -1.21 0.00 0.00 61.69 59.24 1wqk s THR 17 Cb 0.00 -0.89 0.12 0.00 -1.51 0.00 0.00 72.50 70.21 1wqk s THR 17 CO 0.00 -0.45 1.02 2.29 -2.21 0.00 0.00 174.62 175.27 1wqk n LYS 18 N 1.13 2.32 -4.81 7.08 2.85 -1.26 -2.25 118.16 123.22 1wqk n LYS 18 Ca -0.20 -1.56 -0.32 0.00 -1.05 0.00 0.00 58.31 55.18 1wqk n LYS 18 Cb 0.56 -1.11 -0.17 0.00 -0.65 0.00 0.00 35.03 33.66 1wqk n LYS 18 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1wqk s THR 19 N -0.89 1.96 0.20 0.58 -4.23 -1.26 -4.93 115.64 107.07 1wqk s THR 19 Ca 0.09 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1wqk s THR 19 Cb 0.05 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 72.09 1wqk s THR 19 CO 0.07 0.53 1.13 0.00 -0.54 0.00 0.00 174.62 175.81 1wqk s PRO 21 N -0.50 3.20 -0.01 0.00 0.02 -1.26 -4.88 135.00 131.56 1wqk s PRO 21 Ca 0.50 -0.14 0.01 0.00 0.02 0.00 0.00 61.00 61.38 1wqk s PRO 21 Cb -0.31 -4.17 0.04 0.00 0.02 0.00 0.00 34.50 30.08 1wqk s PRO 21 CO 0.36 -2.13 0.58 0.45 -0.33 0.00 0.00 177.00 175.94 1wqk n SER 22 N 9.44 1.30 -0.04 2.53 2.88 -1.26 -2.81 113.62 125.66 1wqk n SER 22 Ca 0.04 -2.05 0.13 0.00 -1.33 0.00 0.00 58.87 55.67 1wqk n SER 22 Cb 0.49 -0.51 0.40 0.00 -0.75 0.00 0.00 64.21 63.85 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wqk n ASN 23 N 0.05 0.43 -0.08 -3.46 6.94 -1.26 -4.12 115.26 113.76 1wqk n ASN 23 Ca 0.01 -0.19 -0.07 0.00 -0.02 0.00 0.00 54.58 54.31 1wqk n ASN 23 Cb 0.31 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 1wqk n ASN 23 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1wqk h ARG 24 N 0.21 0.00 0.00 -3.83 2.47 -1.90 -3.49 114.38 107.84 1wqk h ARG 24 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wqk h ARG 24 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1wqk h ARG 24 CO 0.00 0.18 0.00 0.41 0.56 0.00 0.00 179.97 181.12 1wqk n GLY 25 N 1.59 0.11 3.79 0.04 0.00 -1.26 -4.99 105.19 104.47 1wqk n GLY 25 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.11 2.82 -0.02 1.61 2.02 -1.26 -4.69 117.35 117.72 1wqk s TYR 26 Ca 0.00 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 1wqk s TYR 26 Cb 0.00 -3.14 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 1wqk s TYR 26 CO 0.00 -1.30 -0.02 2.41 -1.57 0.00 0.00 175.55 175.07 1wqk n THR 27 N -1.63 0.12 -4.30 -0.71 -1.04 0.06 -4.91 114.28 101.88 1wqk n THR 27 Ca 0.10 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 1wqk n THR 27 Cb 0.52 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 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 -4.30 1.46 -0.02 3.41 0.00 0.50 -5.01 107.32 103.36 1wqk s GLY 28 Ca -0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 1wqk s GLY 28 CO 0.05 -1.62 0.10 -1.35 0.00 0.00 0.00 173.10 170.28 1wqk s SER 29 N -3.26 -0.04 -0.12 1.64 1.04 -1.26 -0.48 113.70 111.22 1wqk s SER 29 Ca 0.27 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1wqk s SER 29 Cb 0.06 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1wqk s SER 29 CO 0.07 -0.15 -0.19 0.00 0.98 0.00 0.00 173.24 173.95 1wqk s GLY 31 N 0.86 1.75 0.24 0.00 0.00 -1.26 0.26 107.32 109.16 1wqk s GLY 31 Ca -0.08 1.49 0.03 0.00 0.00 0.00 0.00 44.72 46.17 1wqk s GLY 31 CO -0.01 2.62 0.01 -0.47 0.00 0.00 0.00 173.10 175.26 1wqk s TYR 32 N 0.60 1.58 -0.49 1.90 5.04 -0.25 -4.79 117.35 120.95 1wqk s TYR 32 Ca 0.68 -0.96 -0.26 0.00 -2.44 0.00 0.00 57.07 54.09 1wqk s TYR 32 Cb -0.47 -0.93 -0.08 0.00 0.35 0.00 0.00 41.96 40.84 1wqk s TYR 32 CO 0.39 -0.07 2.41 1.19 -1.34 0.00 0.00 175.55 178.13 1wqk n PHE 33 N -0.44 1.44 -2.26 4.97 3.72 -1.26 -1.56 117.46 122.07 1wqk n PHE 33 Ca -0.04 0.11 -0.16 0.00 -0.05 0.00 0.00 57.45 57.30 1wqk n PHE 33 Cb 0.64 -2.63 -0.01 0.00 -0.94 0.00 0.00 39.48 36.54 1wqk n PHE 33 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wqk n LEU 34 N 15.33 -1.71 0.00 4.37 4.32 -1.26 -4.92 117.00 133.13 1wqk n LEU 34 Ca 0.38 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1wqk n LEU 34 Cb 0.51 -2.42 0.00 0.00 -1.62 0.00 0.00 43.42 39.89 1wqk n LEU 34 CO 0.72 -0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 1wqk n GLY 35 N -1.01 1.13 2.86 -0.72 0.00 -0.60 -2.85 105.19 104.00 1wqk n GLY 35 Ca -0.19 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 1wqk n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wqk s ILE 36 N -2.42 0.34 -0.75 -0.61 2.07 -0.34 -1.09 121.20 118.39 1wqk s ILE 36 Ca 0.00 -0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.02 1wqk s ILE 36 Cb 0.00 -0.39 0.10 0.00 0.13 0.00 0.00 42.46 42.29 1wqk s ILE 36 CO 0.00 0.18 1.00 0.00 -1.91 0.00 0.00 174.94 174.20 1wqk s TYR 39 N 0.24 1.26 0.65 0.00 -0.85 0.37 -0.73 117.35 118.29 1wqk s TYR 39 Ca 0.08 -0.69 -0.13 0.00 -0.52 0.00 0.00 57.07 55.81 1wqk s TYR 39 Cb -0.11 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 1wqk s TYR 39 CO -0.01 0.09 1.06 -2.14 -1.52 0.00 0.00 175.55 173.03 1wqk s PRO 40 N -3.32 3.06 -0.64 -3.49 0.02 -1.26 -0.37 135.00 129.00 1wqk s PRO 40 Ca 0.13 1.11 -0.26 0.00 0.02 0.00 0.00 61.00 62.00 1wqk s PRO 40 Cb -0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1wqk s PRO 40 CO 0.01 -1.01 2.08 0.54 -0.33 0.00 0.00 177.00 178.30 1wqk s VAL 41 N -2.72 3.24 -2.86 3.83 0.11 -0.29 -4.64 120.40 117.07 1wqk s VAL 41 Ca 0.61 0.04 0.25 0.00 -2.93 0.00 0.00 61.98 59.95 1wqk s VAL 41 Cb -0.15 -3.60 0.29 0.00 -1.53 0.00 0.00 36.38 31.38 1wqk s VAL 41 CO 0.46 -0.58 1.39 -0.67 -3.33 0.00 0.00 175.10 172.37