#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 4.38 0.44 2.61 -4.23 -1.26 -4.99 115.64 112.59 1wqk s THR 2 Ca 0.00 -1.65 -0.22 0.00 -1.18 0.00 0.00 61.69 58.64 1wqk s THR 2 Cb 0.00 -5.01 -0.09 0.00 1.34 0.00 0.00 72.50 68.74 1wqk s THR 2 CO 0.00 -1.80 1.01 0.28 -0.54 0.00 0.00 174.62 173.57 1wqk s THR 3 N 3.57 3.96 -0.20 3.99 -1.32 -1.26 -0.29 115.64 124.09 1wqk s THR 3 Ca 0.45 1.31 -0.05 0.00 -1.21 0.00 0.00 61.69 62.19 1wqk s THR 3 Cb -0.01 -3.58 0.10 0.00 -1.51 0.00 0.00 72.50 67.51 1wqk s THR 3 CO -0.03 -0.18 0.36 0.00 -2.21 0.00 0.00 174.62 172.56 1wqk s TYR 5 N 2.53 3.18 -0.72 0.00 1.51 -1.26 0.53 117.35 123.11 1wqk s TYR 5 Ca 0.05 -0.47 -0.23 0.00 -1.01 0.00 0.00 57.07 55.41 1wqk s TYR 5 Cb -0.14 -2.93 0.07 0.00 -0.11 0.00 0.00 41.96 38.86 1wqk s TYR 5 CO -0.13 -0.72 1.05 0.00 -1.11 0.00 0.00 175.55 174.64 1wqk n GLY 7 N 5.44 1.85 0.11 0.00 0.00 -1.26 -1.42 105.19 109.90 1wqk n GLY 7 Ca 0.02 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.41 1wqk n GLY 7 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wqk h LYS 8 N 0.00 0.00 -5.39 1.61 2.10 -2.01 -3.46 116.57 109.42 1wqk h LYS 8 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 1wqk h LYS 8 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1wqk h LYS 8 CO 0.00 0.15 0.03 0.99 -2.00 0.00 0.00 179.45 178.62 1wqk s THR 9 N -3.14 5.02 -0.13 0.07 2.01 -0.51 -5.02 115.64 113.94 1wqk s THR 9 Ca -0.02 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 1wqk s THR 9 Cb 0.09 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1wqk s THR 9 CO 0.80 -0.02 1.09 -0.51 -0.69 0.00 0.00 174.62 175.29 1wqk s ILE 10 N 2.41 4.57 0.00 1.82 2.07 -1.26 -0.71 121.20 130.11 1wqk s ILE 10 Ca 0.22 1.87 0.00 0.00 -1.41 0.00 0.00 60.65 61.33 1wqk s ILE 10 Cb -0.15 -4.20 0.00 0.00 0.13 0.00 0.00 42.46 38.23 1wqk s ILE 10 CO 0.10 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1wqk n GLY 11 N 3.27 4.26 3.24 1.50 0.00 0.19 -0.94 105.19 116.71 1wqk n GLY 11 Ca 0.11 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.37 2.01 -0.53 -0.61 -1.16 0.42 -0.93 121.20 119.02 1wqk s ILE 12 Ca 0.00 -1.02 -0.23 0.00 -0.51 0.00 0.00 60.65 58.90 1wqk s ILE 12 Cb 0.00 -1.72 0.04 0.00 0.61 0.00 0.00 42.46 41.40 1wqk s ILE 12 CO 0.00 0.55 0.83 -0.47 -2.81 0.00 0.00 174.94 173.05 1wqk s TYR 13 N 0.08 2.89 -0.78 3.50 5.04 0.61 -1.16 117.35 127.52 1wqk s TYR 13 Ca -0.10 -0.14 -0.22 0.00 -2.44 0.00 0.00 57.07 54.16 1wqk s TYR 13 Cb -0.16 -3.87 0.08 0.00 0.35 0.00 0.00 41.96 38.37 1wqk s TYR 13 CO 0.06 -1.22 1.09 -1.58 -1.34 0.00 0.00 175.55 172.55 1wqk s TRP 14 N 3.50 2.77 -0.47 4.97 0.52 0.96 -4.73 118.94 126.46 1wqk s TRP 14 Ca 0.26 -0.80 -0.29 0.00 0.02 0.00 0.00 56.10 55.29 1wqk s TRP 14 Cb -0.14 -4.35 0.03 0.00 -1.15 0.00 0.00 33.47 27.85 1wqk s TRP 14 CO 0.17 -1.66 1.21 0.12 0.02 0.00 0.00 176.95 176.81 1wqk s PHE 15 N 3.85 2.70 0.00 -1.98 5.36 -1.26 -1.09 117.98 125.56 1wqk s PHE 15 Ca 0.29 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1wqk s PHE 15 Cb -0.11 -4.42 0.00 0.00 -0.34 0.00 0.00 43.02 38.15 1wqk s PHE 15 CO 0.02 -1.46 0.00 0.41 -1.46 0.00 0.00 175.22 172.73 1wqk n GLY 16 N 4.92 2.88 3.90 13.12 0.00 -0.91 -4.99 105.19 124.13 1wqk n GLY 16 Ca 0.13 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 4.85 -0.33 2.61 -1.32 -1.25 -4.85 115.64 115.35 1wqk s THR 17 Ca 0.00 0.23 0.06 0.00 -1.21 0.00 0.00 61.69 60.78 1wqk s THR 17 Cb 0.00 -3.85 0.16 0.00 -1.51 0.00 0.00 72.50 67.30 1wqk s THR 17 CO 0.00 -0.85 1.12 2.29 -2.21 0.00 0.00 174.62 174.97 1wqk n LYS 18 N -2.30 2.80 -4.37 7.08 2.85 -1.26 -3.20 118.16 119.75 1wqk n LYS 18 Ca 0.01 -1.86 -0.21 0.00 -1.05 0.00 0.00 58.31 55.20 1wqk n LYS 18 Cb 0.55 -1.19 -0.13 0.00 -0.65 0.00 0.00 35.03 33.61 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1wqk s THR 19 N -1.28 1.18 -0.14 0.58 -1.32 -1.26 -4.91 115.64 108.49 1wqk s THR 19 Ca 0.13 -1.04 -0.27 0.00 -1.21 0.00 0.00 61.69 59.30 1wqk s THR 19 Cb 0.09 -1.06 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1wqk s THR 19 CO 0.06 0.01 0.89 0.00 -2.21 0.00 0.00 174.62 173.37 1wqk n PRO 21 N 5.05 1.98 -0.57 0.00 -0.02 -1.26 -4.83 135.00 135.35 1wqk n PRO 21 Ca 0.06 0.62 -0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1wqk n PRO 21 Cb 0.49 -2.95 -0.05 0.00 -0.02 0.00 0.00 33.50 30.97 1wqk n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wqk n SER 22 N 9.78 4.52 -0.17 2.55 7.64 -1.26 -3.37 113.62 133.31 1wqk n SER 22 Ca 0.29 -2.25 0.04 0.00 1.01 0.00 0.00 58.87 57.97 1wqk n SER 22 Cb 0.37 -1.05 0.05 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.92 1.29 0.00 6.43 6.94 -1.26 -4.77 115.26 125.81 1wqk n ASN 23 Ca 0.12 -2.29 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1wqk n ASN 23 Cb 0.55 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 -0.66 0.00 0.00 -3.83 3.00 -1.22 -5.06 116.66 108.90 1wqk n ARG 24 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.90 1wqk n ARG 24 Cb 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.21 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 3.10 1.79 3.68 -0.13 0.00 -1.26 -4.96 105.19 107.40 1wqk n GLY 25 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.50 2.37 0.07 1.61 4.01 -1.26 -4.79 117.16 118.67 1wqk n TYR 26 Ca 0.00 0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.78 1wqk n TYR 26 Cb 0.00 -2.55 -0.15 0.00 -0.31 0.00 0.00 39.34 36.33 1wqk n TYR 26 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wqk h THR 27 N 3.50 0.97 -4.34 -0.72 2.02 -1.02 -3.47 112.91 109.85 1wqk h THR 27 Ca -0.45 -2.50 -0.17 0.00 0.77 0.00 0.00 66.41 64.06 1wqk h THR 27 Cb 1.25 2.78 -0.15 0.00 -1.74 0.00 0.00 68.15 70.29 1wqk h THR 27 CO 0.86 0.83 -0.59 -0.83 0.37 0.00 0.00 175.52 176.16 1wqk s GLY 28 N -5.06 0.90 -0.02 2.16 0.00 -0.50 -5.03 107.32 99.77 1wqk s GLY 28 Ca -0.16 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 1wqk s GLY 28 CO 0.84 -1.28 0.04 -1.35 0.00 0.00 0.00 173.10 171.36 1wqk s SER 29 N -3.03 0.01 -0.35 1.64 1.04 -1.26 -1.24 113.70 110.50 1wqk s SER 29 Ca 0.23 0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.64 1wqk s SER 29 Cb 0.07 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1wqk s SER 29 CO 0.01 -0.08 0.17 0.00 0.98 0.00 0.00 173.24 174.32 1wqk n GLY 31 N 4.94 1.02 3.70 0.00 0.00 -1.26 -0.24 105.19 113.35 1wqk n GLY 31 Ca -0.12 0.86 -0.23 0.00 0.00 0.00 0.00 46.02 46.52 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 6.58 2.67 -0.42 1.61 5.04 -0.07 -4.90 117.35 127.85 1wqk s TYR 32 Ca 1.01 -0.38 -0.29 0.00 -2.44 0.00 0.00 57.07 54.97 1wqk s TYR 32 Cb -0.61 -1.55 -0.08 0.00 0.35 0.00 0.00 41.96 40.06 1wqk s TYR 32 CO 0.45 0.40 2.34 1.19 -1.34 0.00 0.00 175.55 178.60 1wqk n PHE 33 N -1.07 1.56 -2.18 4.97 3.72 -1.26 -1.46 117.46 121.73 1wqk n PHE 33 Ca -0.04 0.09 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 1wqk n PHE 33 Cb 0.61 -2.63 -0.02 0.00 -0.94 0.00 0.00 39.48 36.51 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 13.18 -1.64 0.00 4.37 4.77 -1.26 -4.90 117.00 131.51 1wqk n LEU 34 Ca 0.38 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wqk n LEU 34 Cb 0.42 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1wqk n LEU 34 CO 0.72 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1wqk n GLY 35 N -1.02 0.96 2.84 -0.72 0.00 -0.54 -2.14 105.19 104.57 1wqk n GLY 35 Ca -0.18 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.31 0.15 -0.58 -0.61 2.07 -0.25 -0.90 121.20 118.78 1wqk s ILE 36 Ca 0.00 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 59.10 1wqk s ILE 36 Cb 0.00 -0.22 0.10 0.00 0.13 0.00 0.00 42.46 42.47 1wqk s ILE 36 CO 0.00 0.11 0.69 0.00 -1.91 0.00 0.00 174.94 173.83 1wqk s TYR 39 N 1.75 1.51 0.38 0.00 -0.85 -0.37 -0.44 117.35 119.33 1wqk s TYR 39 Ca 0.11 -0.51 -0.10 0.00 -0.52 0.00 0.00 57.07 56.05 1wqk s TYR 39 Cb -0.15 -0.79 -0.07 0.00 0.38 0.00 0.00 41.96 41.32 1wqk s TYR 39 CO 0.10 0.18 0.74 -1.25 -1.52 0.00 0.00 175.55 173.79 1wqk s PRO 40 N -2.47 3.79 -0.74 -3.49 0.04 -1.26 -0.37 135.00 130.50 1wqk s PRO 40 Ca 0.08 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 1wqk s PRO 40 Cb -0.06 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 32.11 1wqk s PRO 40 CO 0.04 0.02 1.11 0.54 0.04 0.00 0.00 177.00 178.75 1wqk s VAL 41 N -2.28 4.15 0.00 -0.36 0.11 -0.12 -4.67 120.40 117.23 1wqk s VAL 41 Ca 0.51 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1wqk s VAL 41 Cb -0.10 -4.79 0.00 0.00 -1.53 0.00 0.00 36.38 29.95 1wqk s VAL 41 CO 0.29 -1.62 0.00 -0.67 -3.33 0.00 0.00 175.10 169.77