#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 4.83 -0.14 2.61 -4.23 -1.26 -4.99 115.64 112.46 1wqk s THR 2 Ca 0.00 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.37 1wqk s THR 2 Cb 0.00 -4.86 -0.04 0.00 1.34 0.00 0.00 72.50 68.94 1wqk s THR 2 CO 0.00 -1.59 0.10 -0.89 -0.54 0.00 0.00 174.62 171.70 1wqk s THR 3 N 2.27 5.15 -0.00 3.99 2.01 -1.26 -0.33 115.64 127.47 1wqk s THR 3 Ca 0.39 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 1wqk s THR 3 Cb -0.03 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1wqk s THR 3 CO -0.04 0.56 0.16 0.00 -0.69 0.00 0.00 174.62 174.61 1wqk s TYR 5 N -1.34 3.09 -0.68 0.00 1.51 -1.26 -0.46 117.35 118.21 1wqk s TYR 5 Ca -0.14 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 1wqk s TYR 5 Cb -0.07 -2.05 0.15 0.00 -0.11 0.00 0.00 41.96 39.89 1wqk s TYR 5 CO 0.02 -0.07 0.69 0.00 -1.11 0.00 0.00 175.55 175.08 1wqk n GLY 7 N 4.86 1.41 0.00 0.00 0.00 -1.26 -1.33 105.19 108.87 1wqk n GLY 7 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 3.99 -2.55 1.61 5.02 -1.26 -5.02 118.16 119.96 1wqk n LYS 8 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1wqk n LYS 8 Cb 0.00 -0.71 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.42 4.33 -0.04 -0.18 2.01 -0.44 -4.98 115.64 114.92 1wqk s THR 9 Ca 0.00 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 1wqk s THR 9 Cb 0.00 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1wqk s THR 9 CO 0.00 -0.53 1.23 -0.51 -0.69 0.00 0.00 174.62 174.11 1wqk s ILE 10 N 4.03 4.17 0.22 1.82 1.10 -1.26 -0.29 121.20 130.99 1wqk s ILE 10 Ca 0.50 1.50 0.03 0.00 -0.51 0.00 0.00 60.65 62.17 1wqk s ILE 10 Cb -0.13 -3.97 -0.01 0.00 0.15 0.00 0.00 42.46 38.50 1wqk s ILE 10 CO 0.20 0.00 0.24 0.61 -2.11 0.00 0.00 174.94 173.88 1wqk n GLY 11 N 3.40 2.97 3.30 1.50 0.00 0.40 -1.19 105.19 115.57 1wqk n GLY 11 Ca 0.11 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.81 2.34 -0.65 -0.61 -1.16 -0.24 -1.60 121.20 116.47 1wqk s ILE 12 Ca 0.24 -0.95 -0.24 0.00 -0.51 0.00 0.00 60.65 59.18 1wqk s ILE 12 Cb 0.01 -1.89 0.05 0.00 0.61 0.00 0.00 42.46 41.24 1wqk s ILE 12 CO 0.17 0.56 1.04 -0.47 -2.81 0.00 0.00 174.94 173.43 1wqk s TYR 13 N -0.07 2.61 -0.53 3.50 5.04 0.55 -0.80 117.35 127.64 1wqk s TYR 13 Ca -0.06 -0.25 -0.27 0.00 -2.44 0.00 0.00 57.07 54.05 1wqk s TYR 13 Cb -0.14 -4.33 0.03 0.00 0.35 0.00 0.00 41.96 37.87 1wqk s TYR 13 CO 0.05 -1.67 1.08 -1.58 -1.34 0.00 0.00 175.55 172.09 1wqk s TRP 14 N 4.47 2.75 -0.55 4.97 0.52 0.81 -4.73 118.94 127.17 1wqk s TRP 14 Ca 0.28 0.39 -0.18 0.00 0.02 0.00 0.00 56.10 56.61 1wqk s TRP 14 Cb -0.13 -4.31 0.10 0.00 -1.15 0.00 0.00 33.47 27.97 1wqk s TRP 14 CO 0.14 -1.39 0.61 0.12 0.02 0.00 0.00 176.95 176.45 1wqk s PHE 15 N 4.43 3.10 0.00 -1.98 5.36 -1.26 -1.08 117.98 126.54 1wqk s PHE 15 Ca 0.40 -0.99 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 1wqk s PHE 15 Cb -0.09 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 1wqk s PHE 15 CO 0.26 -1.13 0.00 0.41 -1.46 0.00 0.00 175.22 173.29 1wqk n GLY 16 N 5.25 4.51 3.93 13.12 0.00 -1.26 -5.06 105.19 125.69 1wqk n GLY 16 Ca -0.11 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 5.19 -1.77 2.61 -1.32 -1.26 -4.99 115.64 114.09 1wqk s THR 17 Ca 0.00 -0.36 0.20 0.00 -1.21 0.00 0.00 61.69 60.32 1wqk s THR 17 Cb 0.00 -3.74 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1wqk s THR 17 CO 0.00 -0.21 0.98 2.29 -2.21 0.00 0.00 174.62 175.48 1wqk n LYS 18 N -0.76 1.39 -4.79 7.08 2.85 -1.26 -4.31 118.16 118.36 1wqk n LYS 18 Ca -0.05 -0.89 -0.26 0.00 -1.05 0.00 0.00 58.31 56.06 1wqk n LYS 18 Cb 0.54 -1.39 -0.16 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.26 1.39 -0.08 0.58 2.01 -1.26 -5.01 115.64 111.01 1wqk s THR 19 Ca 0.16 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1wqk s THR 19 Cb 0.16 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1wqk s THR 19 CO 0.51 0.41 1.47 0.00 -0.69 0.00 0.00 174.62 176.31 1wqk n PRO 21 N 6.56 1.20 0.00 0.00 -0.02 -1.26 -4.80 135.00 136.68 1wqk n PRO 21 Ca 0.15 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1wqk n PRO 21 Cb 0.44 -2.66 0.68 0.00 -0.02 0.00 0.00 33.50 31.94 1wqk n PRO 21 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wqk n SER 22 N 10.82 0.00 0.07 2.55 2.88 -1.26 -1.46 113.62 127.22 1wqk n SER 22 Ca 0.40 -0.63 0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1wqk n SER 22 Cb 0.29 -0.04 0.41 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.04 0.59 -0.08 -3.46 6.94 -1.26 -3.92 115.26 113.02 1wqk n ASN 23 Ca 0.17 0.43 -0.12 0.00 -0.02 0.00 0.00 54.58 55.03 1wqk n ASN 23 Cb 0.10 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 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 0.00 0.00 0.00 -3.83 2.47 -1.64 -3.50 114.38 107.89 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 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1wqk h ARG 24 CO 0.00 0.47 0.00 0.41 0.56 0.00 0.00 179.97 181.41 1wqk n GLY 25 N 1.54 1.89 3.73 0.04 0.00 -1.24 -4.94 105.19 106.21 1wqk n GLY 25 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 2.96 -0.12 1.61 2.02 -1.26 -4.74 117.35 115.82 1wqk s TYR 26 Ca 0.00 0.75 0.17 0.00 -0.37 0.00 0.00 57.07 57.62 1wqk s TYR 26 Cb 0.00 -3.95 -0.20 0.00 -0.40 0.00 0.00 41.96 37.41 1wqk s TYR 26 CO 0.00 -3.32 0.58 2.41 -1.57 0.00 0.00 175.55 173.65 1wqk n THR 27 N 3.08 1.15 -4.09 -0.71 -1.04 0.38 -4.91 114.28 108.14 1wqk n THR 27 Ca 0.11 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.05 61.29 1wqk n THR 27 Cb 0.38 -0.63 -0.07 0.00 -1.82 0.00 0.00 70.33 68.19 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 -4.96 0.97 -0.01 3.41 0.00 -0.06 -5.00 107.32 101.66 1wqk s GLY 28 Ca -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1wqk s GLY 28 CO 0.83 -0.99 0.01 -1.35 0.00 0.00 0.00 173.10 171.60 1wqk s SER 29 N -3.09 0.17 -0.37 1.64 1.04 -1.26 -1.37 113.70 110.47 1wqk s SER 29 Ca 0.30 0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 1wqk s SER 29 Cb 0.03 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.13 1wqk s SER 29 CO 0.11 -0.07 0.15 0.00 0.98 0.00 0.00 173.24 174.40 1wqk n GLY 31 N 4.76 1.49 3.45 0.00 0.00 -1.26 0.05 105.19 113.68 1wqk n GLY 31 Ca -0.10 0.77 -0.22 0.00 0.00 0.00 0.00 46.02 46.47 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 3.00 1.93 -0.49 1.61 5.04 -0.19 -4.86 117.35 123.40 1wqk s TYR 32 Ca 0.86 -0.99 -0.30 0.00 -2.44 0.00 0.00 57.07 54.20 1wqk s TYR 32 Cb -0.60 -1.26 -0.10 0.00 0.35 0.00 0.00 41.96 40.35 1wqk s TYR 32 CO 0.43 -0.03 2.37 1.19 -1.34 0.00 0.00 175.55 178.17 1wqk n PHE 33 N -0.70 1.43 -2.31 4.97 3.72 -1.26 -1.61 117.46 121.69 1wqk n PHE 33 Ca -0.03 0.16 -0.17 0.00 -0.05 0.00 0.00 57.45 57.37 1wqk n PHE 33 Cb 0.66 -2.58 -0.02 0.00 -0.94 0.00 0.00 39.48 36.60 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 12.77 -1.54 0.00 4.37 7.99 -1.26 -4.87 117.00 134.47 1wqk n LEU 34 Ca 0.42 0.12 -0.01 0.00 -0.01 0.00 0.00 56.01 56.53 1wqk n LEU 34 Cb 0.36 -2.56 0.01 0.00 -0.11 0.00 0.00 43.42 41.12 1wqk n LEU 34 CO 0.75 -0.26 0.19 0.61 -1.51 0.00 0.00 177.39 177.17 1wqk n GLY 35 N -0.85 1.24 2.71 -0.72 0.00 -0.64 -4.08 105.19 102.86 1wqk n GLY 35 Ca -0.20 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.50 0.03 -0.81 -0.61 2.07 -0.24 -1.02 121.20 118.10 1wqk s ILE 36 Ca 0.05 0.32 -0.24 0.00 -1.41 0.00 0.00 60.65 59.37 1wqk s ILE 36 Cb -0.01 -0.24 0.06 0.00 0.13 0.00 0.00 42.46 42.40 1wqk s ILE 36 CO 0.02 0.19 1.22 0.00 -1.91 0.00 0.00 174.94 174.45 1wqk s TYR 39 N 0.77 0.86 0.49 0.00 -0.85 -0.47 -1.07 117.35 117.07 1wqk s TYR 39 Ca 0.37 -0.80 -0.19 0.00 -0.52 0.00 0.00 57.07 55.93 1wqk s TYR 39 Cb -0.18 -0.50 -0.08 0.00 0.38 0.00 0.00 41.96 41.58 1wqk s TYR 39 CO 0.18 -0.12 1.01 -2.14 -1.52 0.00 0.00 175.55 172.96 1wqk s PRO 40 N -3.25 3.87 -0.67 -3.49 0.02 -1.26 -0.47 135.00 129.75 1wqk s PRO 40 Ca 0.07 1.23 -0.26 0.00 0.02 0.00 0.00 61.00 62.06 1wqk s PRO 40 Cb 0.01 -2.11 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1wqk s PRO 40 CO -0.03 -0.35 2.09 0.54 -0.33 0.00 0.00 177.00 178.91 1wqk s VAL 41 N -2.17 3.24 0.00 3.83 0.11 -0.34 -4.67 120.40 120.41 1wqk s VAL 41 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1wqk s VAL 41 Cb -0.14 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1wqk s VAL 41 CO 0.21 -0.58 0.07 -0.67 -3.33 0.00 0.00 175.10 170.80