#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 3.24 -4.09 2.61 -2.24 -1.26 -4.92 114.28 107.62 1wqk n THR 2 Ca 0.00 -2.75 -0.35 0.00 -2.27 0.00 0.00 64.05 58.68 1wqk n THR 2 Cb 0.00 -1.58 -0.11 0.00 -2.10 0.00 0.00 70.33 66.54 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 -2.10 4.36 -0.09 4.28 2.01 -1.26 -0.22 115.64 122.63 1wqk s THR 3 Ca 0.56 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 1wqk s THR 3 Cb 0.36 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.94 1wqk s THR 3 CO -0.18 0.45 0.21 0.00 -0.69 0.00 0.00 174.62 174.41 1wqk s TYR 5 N 0.55 3.56 -0.31 0.00 2.02 -1.26 -0.12 117.35 121.80 1wqk s TYR 5 Ca -0.04 0.57 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1wqk s TYR 5 Cb -0.05 -2.10 0.08 0.00 -0.40 0.00 0.00 41.96 39.49 1wqk s TYR 5 CO -0.03 0.56 -0.01 0.00 -1.57 0.00 0.00 175.55 174.49 1wqk n GLY 7 N 4.38 2.63 0.00 0.00 0.00 -1.26 -0.98 105.19 109.96 1wqk n GLY 7 Ca -0.05 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 7.13 0.67 -2.81 1.61 4.76 -1.26 -4.95 118.16 123.31 1wqk n LYS 8 Ca 0.00 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 1wqk n LYS 8 Cb 0.00 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wqk s THR 9 N -2.96 4.77 -0.11 -0.18 2.01 -0.15 -5.00 115.64 114.01 1wqk s THR 9 Ca 0.03 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 1wqk s THR 9 Cb 0.14 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1wqk s THR 9 CO 0.79 -0.14 1.30 -0.51 -0.69 0.00 0.00 174.62 175.38 1wqk s ILE 10 N 3.01 4.14 0.27 1.82 1.10 -1.26 -0.39 121.20 129.88 1wqk s ILE 10 Ca 0.38 1.42 0.12 0.00 -0.51 0.00 0.00 60.65 62.06 1wqk s ILE 10 Cb -0.15 -3.92 -0.05 0.00 0.15 0.00 0.00 42.46 38.49 1wqk s ILE 10 CO 0.08 -0.08 -0.21 -0.83 -2.11 0.00 0.00 174.94 171.79 1wqk s GLY 11 N 1.98 1.86 -0.20 1.50 0.00 0.84 -1.32 107.32 111.98 1wqk s GLY 11 Ca 0.58 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1wqk s GLY 11 CO 0.19 -1.92 0.13 -1.50 0.00 0.00 0.00 173.10 170.00 1wqk s ILE 12 N -2.38 5.40 -0.76 0.90 -1.16 -0.06 -1.55 121.20 121.59 1wqk s ILE 12 Ca 0.28 0.18 -0.24 0.00 -0.51 0.00 0.00 60.65 60.37 1wqk s ILE 12 Cb -0.05 -3.46 0.06 0.00 0.61 0.00 0.00 42.46 39.62 1wqk s ILE 12 CO 0.14 0.45 1.15 -0.47 -2.81 0.00 0.00 174.94 173.40 1wqk s TYR 13 N 0.32 2.56 -1.05 3.50 5.04 0.70 -1.07 117.35 127.36 1wqk s TYR 13 Ca 0.08 -0.50 -0.23 0.00 -2.44 0.00 0.00 57.07 53.99 1wqk s TYR 13 Cb -0.11 -4.46 0.05 0.00 0.35 0.00 0.00 41.96 37.79 1wqk s TYR 13 CO -0.02 -1.82 1.48 -1.58 -1.34 0.00 0.00 175.55 172.27 1wqk s TRP 14 N 4.63 2.55 -0.60 4.97 0.52 0.92 -4.81 118.94 127.12 1wqk s TRP 14 Ca 0.31 -0.91 -0.25 0.00 0.02 0.00 0.00 56.10 55.27 1wqk s TRP 14 Cb -0.10 -4.70 0.04 0.00 -1.15 0.00 0.00 33.47 27.56 1wqk s TRP 14 CO 0.07 -1.92 1.05 0.12 0.02 0.00 0.00 176.95 176.29 1wqk s PHE 15 N 4.96 2.65 0.00 -1.98 5.36 -1.26 -1.51 117.98 126.20 1wqk s PHE 15 Ca 0.47 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 1wqk s PHE 15 Cb 0.00 -4.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.39 1wqk s PHE 15 CO -0.08 -1.56 0.00 0.41 -1.46 0.00 0.00 175.22 172.53 1wqk n GLY 16 N 5.18 2.98 3.83 13.12 0.00 -1.26 -5.06 105.19 123.97 1wqk n GLY 16 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.30 -0.01 2.61 -1.32 -1.25 -5.02 115.64 113.94 1wqk s THR 17 Ca 0.00 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.06 1wqk s THR 17 Cb 0.00 -3.12 0.03 0.00 -1.51 0.00 0.00 72.50 67.90 1wqk s THR 17 CO 0.00 -0.15 0.96 1.17 -2.21 0.00 0.00 174.62 174.39 1wqk n LYS 18 N -1.34 2.51 -4.34 7.08 3.00 -1.26 -3.91 118.16 119.89 1wqk n LYS 18 Ca -0.01 -1.50 -0.27 0.00 -0.00 0.00 0.00 58.31 56.53 1wqk n LYS 18 Cb 0.60 -0.99 -0.17 0.00 0.00 0.00 0.00 35.03 34.48 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wqk s THR 19 N -1.06 1.26 0.00 3.15 2.01 -1.26 -4.98 115.64 114.77 1wqk s THR 19 Ca 0.03 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1wqk s THR 19 Cb 0.03 -1.18 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 1wqk s THR 19 CO 0.00 0.40 1.55 0.00 -0.69 0.00 0.00 174.62 175.87 1wqk s PRO 21 N 2.95 2.98 -1.39 0.00 0.02 -1.26 -4.86 135.00 133.45 1wqk s PRO 21 Ca 0.69 1.76 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 1wqk s PRO 21 Cb -0.34 -4.37 -0.11 0.00 0.02 0.00 0.00 34.50 29.69 1wqk s PRO 21 CO 0.29 -2.27 3.04 0.43 -0.33 0.00 0.00 177.00 178.15 1wqk n SER 22 N 12.15 8.20 -0.71 2.53 7.64 -1.26 -3.75 113.62 138.42 1wqk n SER 22 Ca 0.29 -2.55 -0.00 0.00 1.01 0.00 0.00 58.87 57.62 1wqk n SER 22 Cb 0.47 -1.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.14 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1wqk n ASN 23 N 3.45 0.02 0.00 6.43 6.94 -1.26 -4.94 115.26 125.90 1wqk n ASN 23 Ca 0.73 -1.66 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 1wqk n ASN 23 Cb 0.32 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 0.07 0.00 0.00 -3.83 1.74 -1.25 -5.06 116.66 108.34 1wqk n ARG 24 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1wqk n ARG 24 Cb 0.70 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 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 2.00 0.00 3.61 -0.13 0.00 -1.26 -5.00 105.19 104.41 1wqk n GLY 25 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 2.06 -0.10 1.61 2.02 -1.26 -4.35 117.35 117.32 1wqk s TYR 26 Ca 0.00 0.61 0.16 0.00 -0.37 0.00 0.00 57.07 57.47 1wqk s TYR 26 Cb 0.00 -4.11 -0.22 0.00 -0.40 0.00 0.00 41.96 37.23 1wqk s TYR 26 CO 0.00 -2.72 0.53 2.41 -1.57 0.00 0.00 175.55 174.20 1wqk n THR 27 N 6.97 1.37 -4.23 -0.71 -1.04 0.29 -4.93 114.28 112.00 1wqk n THR 27 Ca 0.20 -0.77 -0.13 0.00 -2.04 0.00 0.00 64.05 61.30 1wqk n THR 27 Cb 0.46 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 68.11 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 -5.11 1.36 -0.03 3.41 0.00 -0.52 -5.02 107.32 101.41 1wqk s GLY 28 Ca -0.06 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 42.94 1wqk s GLY 28 CO 0.83 -1.48 0.14 -1.35 0.00 0.00 0.00 173.10 171.25 1wqk s SER 29 N -3.18 -0.07 -0.10 1.64 1.04 -1.26 -1.28 113.70 110.49 1wqk s SER 29 Ca 0.31 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.85 1wqk s SER 29 Cb 0.07 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1wqk s SER 29 CO 0.08 -0.20 -0.22 0.00 0.98 0.00 0.00 173.24 173.89 1wqk s GLY 31 N 0.47 1.21 0.38 0.00 0.00 -1.26 -0.45 107.32 107.67 1wqk s GLY 31 Ca -0.16 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.20 1wqk s GLY 31 CO 0.07 3.08 0.02 -0.47 0.00 0.00 0.00 173.10 175.80 1wqk s TYR 32 N 5.27 2.52 -0.59 1.90 5.04 -0.20 -4.93 117.35 126.35 1wqk s TYR 32 Ca 0.74 -0.56 -0.28 0.00 -2.44 0.00 0.00 57.07 54.53 1wqk s TYR 32 Cb -0.27 -1.67 -0.11 0.00 0.35 0.00 0.00 41.96 40.26 1wqk s TYR 32 CO 0.30 0.43 2.46 1.19 -1.34 0.00 0.00 175.55 178.59 1wqk n PHE 33 N -0.99 1.25 -1.68 4.97 3.72 -1.26 -1.53 117.46 121.94 1wqk n PHE 33 Ca -0.04 0.18 -0.17 0.00 -0.05 0.00 0.00 57.45 57.37 1wqk n PHE 33 Cb 0.65 -2.57 -0.06 0.00 -0.94 0.00 0.00 39.48 36.56 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 14.00 -1.36 0.00 4.37 4.77 -1.26 -4.91 117.00 132.61 1wqk n LEU 34 Ca 0.44 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.67 1wqk n LEU 34 Cb 0.39 -2.45 0.03 0.00 -2.33 0.00 0.00 43.42 39.06 1wqk n LEU 34 CO 0.77 -0.73 0.51 0.61 -1.33 0.00 0.00 177.39 177.22 1wqk n GLY 35 N -0.91 1.03 2.96 -0.72 0.00 -0.58 -4.22 105.19 102.75 1wqk n GLY 35 Ca -0.18 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.17 1.00 -0.49 -0.61 2.07 -0.57 -1.04 121.20 119.39 1wqk s ILE 36 Ca 0.15 -0.36 -0.22 0.00 -1.41 0.00 0.00 60.65 58.82 1wqk s ILE 36 Cb -0.04 -0.96 0.04 0.00 0.13 0.00 0.00 42.46 41.62 1wqk s ILE 36 CO 0.10 0.34 0.75 0.00 -1.91 0.00 0.00 174.94 174.22 1wqk s TYR 39 N 0.95 1.48 0.77 0.00 -0.85 -0.40 -0.88 117.35 118.42 1wqk s TYR 39 Ca 0.07 -0.55 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 1wqk s TYR 39 Cb -0.13 -0.76 0.05 0.00 0.38 0.00 0.00 41.96 41.50 1wqk s TYR 39 CO 0.03 0.18 1.08 -2.14 -1.52 0.00 0.00 175.55 173.19 1wqk s PRO 40 N -2.81 2.28 -0.39 -3.49 0.02 -1.26 -0.55 135.00 128.80 1wqk s PRO 40 Ca 0.11 0.95 -0.27 0.00 0.02 0.00 0.00 61.00 61.81 1wqk s PRO 40 Cb -0.04 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1wqk s PRO 40 CO 0.04 -1.56 2.28 0.08 -0.33 0.00 0.00 177.00 177.51 1wqk s VAL 41 N -3.00 3.05 0.00 3.83 1.01 -0.43 -4.64 120.40 120.22 1wqk s VAL 41 Ca 0.60 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1wqk s VAL 41 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1wqk s VAL 41 CO 0.56 -0.08 0.45 -0.67 0.00 0.00 0.00 175.10 175.36