#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 5.37 -4.34 2.61 -2.24 -1.26 -4.97 114.28 109.45 1wqk n THR 2 Ca 0.00 -5.82 -0.18 0.00 -2.27 0.00 0.00 64.05 55.78 1wqk n THR 2 Cb 0.00 -2.03 -0.15 0.00 -2.10 0.00 0.00 70.33 66.05 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 -2.74 0.67 0.36 4.28 2.01 -1.26 -0.20 115.64 118.77 1wqk s THR 3 Ca 0.33 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1wqk s THR 3 Cb 0.07 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 1wqk s THR 3 CO 0.07 0.19 0.05 0.00 -0.69 0.00 0.00 174.62 174.25 1wqk s TYR 5 N -3.13 2.23 -0.58 0.00 2.02 -1.26 -0.22 117.35 116.41 1wqk s TYR 5 Ca 0.33 -1.78 -0.23 0.00 -0.37 0.00 0.00 57.07 55.02 1wqk s TYR 5 Cb 0.08 -1.70 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 1wqk s TYR 5 CO 0.15 -0.80 0.89 0.00 -1.57 0.00 0.00 175.55 174.23 1wqk n GLY 7 N 5.19 1.94 0.29 0.00 0.00 -1.26 -1.20 105.19 110.15 1wqk n GLY 7 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 3.19 0.84 -2.95 1.61 5.02 -1.26 -4.99 118.16 119.62 1wqk n LYS 8 Ca 0.00 -1.17 -0.42 0.00 -2.02 0.00 0.00 58.31 54.70 1wqk n LYS 8 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.68 4.85 -0.02 -0.18 2.01 -0.34 -5.01 115.64 116.28 1wqk s THR 9 Ca 0.09 1.39 -0.30 0.00 0.31 0.00 0.00 61.69 63.18 1wqk s THR 9 Cb 0.06 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1wqk s THR 9 CO 0.08 -0.10 1.35 -0.51 -0.69 0.00 0.00 174.62 174.75 1wqk s ILE 10 N 2.81 3.86 0.12 1.82 2.07 -1.26 -0.63 121.20 130.00 1wqk s ILE 10 Ca 0.33 1.22 0.09 0.00 -1.41 0.00 0.00 60.65 60.88 1wqk s ILE 10 Cb -0.15 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.61 1wqk s ILE 10 CO 0.09 -0.01 -0.22 -0.83 -1.91 0.00 0.00 174.94 172.06 1wqk s GLY 11 N 1.80 1.38 -0.18 1.50 0.00 0.69 -1.15 107.32 111.35 1wqk s GLY 11 Ca 0.62 -1.36 -0.08 0.00 0.00 0.00 0.00 44.72 43.89 1wqk s GLY 11 CO 0.25 -1.37 0.08 -1.50 0.00 0.00 0.00 173.10 170.56 1wqk s ILE 12 N -1.30 4.99 -0.24 0.90 -1.16 0.96 -0.04 121.20 125.32 1wqk s ILE 12 Ca 0.11 0.04 -0.22 0.00 -0.51 0.00 0.00 60.65 60.06 1wqk s ILE 12 Cb -0.09 -3.25 -0.02 0.00 0.61 0.00 0.00 42.46 39.71 1wqk s ILE 12 CO 0.05 0.46 0.70 -0.47 -2.81 0.00 0.00 174.94 172.88 1wqk s TYR 13 N 0.29 3.31 -0.22 3.50 5.04 0.72 -0.06 117.35 129.92 1wqk s TYR 13 Ca 0.05 0.95 -0.09 0.00 -2.44 0.00 0.00 57.07 55.54 1wqk s TYR 13 Cb -0.12 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.24 1wqk s TYR 13 CO -0.00 -0.33 0.10 -1.58 -1.34 0.00 0.00 175.55 172.40 1wqk s TRP 14 N 2.52 3.22 -0.20 4.97 0.52 0.87 -4.85 118.94 125.98 1wqk s TRP 14 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 56.10 56.41 1wqk s TRP 14 Cb -0.15 -2.20 0.01 0.00 -1.15 0.00 0.00 33.47 29.98 1wqk s TRP 14 CO 0.08 -0.02 -0.13 0.12 0.02 0.00 0.00 176.95 177.03 1wqk s PHE 15 N 0.99 2.89 0.00 -1.98 5.36 -1.26 -1.45 117.98 122.52 1wqk s PHE 15 Ca 0.05 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1wqk s PHE 15 Cb -0.14 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1wqk s PHE 15 CO 0.03 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 173.49 1wqk n GLY 16 N 4.68 1.39 3.44 13.12 0.00 -1.26 -5.09 105.19 121.46 1wqk n GLY 16 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 0.01 -0.82 2.61 -1.32 -1.26 -5.02 115.64 107.84 1wqk s THR 17 Ca 0.00 -0.07 0.24 0.00 -1.21 0.00 0.00 61.69 60.66 1wqk s THR 17 Cb 0.00 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.18 1wqk s THR 17 CO 0.00 -0.04 1.30 1.17 -2.21 0.00 0.00 174.62 174.84 1wqk n LYS 18 N 2.22 0.14 -4.98 7.08 3.00 -1.26 -4.25 118.16 120.11 1wqk n LYS 18 Ca -0.16 0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 57.90 1wqk n LYS 18 Cb 0.56 -1.57 -0.15 0.00 0.00 0.00 0.00 35.03 33.87 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1wqk s THR 19 N -3.09 1.84 0.18 3.15 -1.32 -1.26 -4.94 115.64 110.20 1wqk s THR 19 Ca 0.08 -1.11 -0.30 0.00 -1.21 0.00 0.00 61.69 59.15 1wqk s THR 19 Cb 0.16 -1.55 -0.08 0.00 -1.51 0.00 0.00 72.50 69.51 1wqk s THR 19 CO 0.73 0.41 1.22 0.00 -2.21 0.00 0.00 174.62 174.77 1wqk s PRO 21 N -0.16 2.40 -1.50 0.00 0.02 -1.26 -4.87 135.00 129.63 1wqk s PRO 21 Ca 0.54 0.40 -0.13 0.00 0.02 0.00 0.00 61.00 61.83 1wqk s PRO 21 Cb -0.33 -4.70 -0.00 0.00 0.02 0.00 0.00 34.50 29.49 1wqk s PRO 21 CO 0.37 -3.25 2.45 0.45 -0.33 0.00 0.00 177.00 176.69 1wqk n SER 22 N 14.36 5.38 -0.25 2.53 2.88 -1.26 -3.78 113.62 133.48 1wqk n SER 22 Ca 0.33 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1wqk n SER 22 Cb 0.50 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 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 5.33 0.00 -0.06 -3.46 0.23 -1.26 -4.88 115.26 111.16 1wqk n ASN 23 Ca 0.60 -1.47 -0.11 0.00 -0.53 0.00 0.00 54.58 53.07 1wqk n ASN 23 Cb 0.34 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wqk n ARG 24 N 0.00 0.32 0.00 -3.83 3.00 -1.25 -5.04 116.66 109.86 1wqk n ARG 24 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1wqk n ARG 24 Cb 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wqk n GLY 25 N 2.16 -0.10 3.63 -0.13 0.00 -1.26 -4.92 105.19 104.56 1wqk n GLY 25 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1wqk n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wqk n TYR 26 N 0.00 1.69 0.00 1.61 4.01 -1.26 -4.78 117.16 118.43 1wqk n TYR 26 Ca 0.00 0.63 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 1wqk n TYR 26 Cb 0.00 -2.32 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 1wqk n TYR 26 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wqk n THR 27 N 0.49 0.00 -3.11 -0.72 -1.04 -0.46 -4.95 114.28 104.49 1wqk n THR 27 Ca 0.08 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.84 1wqk n THR 27 Cb 0.33 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.04 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 -4.78 1.44 0.03 3.41 0.00 0.55 -4.94 107.32 103.04 1wqk s GLY 28 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 1wqk s GLY 28 CO 0.00 -0.64 0.05 -0.56 0.00 0.00 0.00 173.10 171.96 1wqk s SER 29 N -3.99 0.23 -0.08 1.64 0.01 -1.26 -0.39 113.70 109.85 1wqk s SER 29 Ca 0.43 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 1wqk s SER 29 Cb -0.10 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.35 1wqk s SER 29 CO 0.39 -0.46 -0.02 0.00 0.41 0.00 0.00 173.24 173.56 1wqk n GLY 31 N 5.01 1.63 3.57 0.00 0.00 -1.26 -0.68 105.19 113.46 1wqk n GLY 31 Ca -0.10 0.73 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 1wqk n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wqk s TYR 32 N 2.83 1.82 -0.60 1.61 5.04 -0.41 -4.87 117.35 122.77 1wqk s TYR 32 Ca 0.83 -1.19 -0.29 0.00 -2.44 0.00 0.00 57.07 53.98 1wqk s TYR 32 Cb -0.51 -1.27 -0.12 0.00 0.35 0.00 0.00 41.96 40.41 1wqk s TYR 32 CO 0.39 -0.16 2.46 1.19 -1.34 0.00 0.00 175.55 178.09 1wqk n PHE 33 N -0.99 1.23 -2.37 4.97 3.72 -1.26 -1.52 117.46 121.24 1wqk n PHE 33 Ca -0.09 0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.34 1wqk n PHE 33 Cb 0.65 -2.56 -0.01 0.00 -0.94 0.00 0.00 39.48 36.63 1wqk n PHE 33 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wqk n LEU 34 N 13.48 -1.63 0.00 4.37 7.94 -1.26 -4.84 117.00 135.07 1wqk n LEU 34 Ca 0.45 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1wqk n LEU 34 Cb 0.36 -2.64 0.00 0.00 0.53 0.00 0.00 43.42 41.67 1wqk n LEU 34 CO 0.78 -0.22 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 1wqk n GLY 35 N -0.91 1.71 2.85 -3.96 0.00 -0.58 -4.43 105.19 99.87 1wqk n GLY 35 Ca -0.21 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.55 0.36 -0.33 -0.61 2.07 -0.53 -1.29 121.20 118.32 1wqk s ILE 36 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 1wqk s ILE 36 Cb 0.00 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1wqk s ILE 36 CO 0.00 0.19 0.27 0.00 -1.91 0.00 0.00 174.94 173.49 1wqk s TYR 39 N -0.06 1.24 0.41 0.00 -0.85 0.47 -0.03 117.35 118.53 1wqk s TYR 39 Ca 0.02 -0.92 -0.19 0.00 -0.52 0.00 0.00 57.07 55.47 1wqk s TYR 39 Cb -0.13 -0.69 -0.10 0.00 0.38 0.00 0.00 41.96 41.42 1wqk s TYR 39 CO 0.02 -0.10 0.89 -2.14 -1.52 0.00 0.00 175.55 172.71 1wqk s PRO 40 N -3.85 4.13 -0.60 -3.49 0.02 -1.26 -0.33 135.00 129.62 1wqk s PRO 40 Ca 0.21 0.97 -0.26 0.00 0.02 0.00 0.00 61.00 61.94 1wqk s PRO 40 Cb 0.05 -2.25 -0.07 0.00 0.02 0.00 0.00 34.50 32.26 1wqk s PRO 40 CO 0.03 -0.00 2.25 0.08 -0.33 0.00 0.00 177.00 179.02 1wqk s VAL 41 N -2.18 3.12 0.00 3.83 1.01 -0.30 -4.41 120.40 121.47 1wqk s VAL 41 Ca 0.59 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1wqk s VAL 41 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wqk s VAL 41 CO 0.16 -0.29 0.00 -0.67 0.00 0.00 0.00 175.10 174.30