#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 4.26 -3.85 2.61 -2.24 -1.26 -4.83 114.28 108.96 1wqk n THR 2 Ca 0.00 -2.82 -0.12 0.00 -2.27 0.00 0.00 64.05 58.84 1wqk n THR 2 Cb 0.00 -2.57 -0.12 0.00 -2.10 0.00 0.00 70.33 65.54 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 2.04 0.02 0.15 4.28 2.01 -1.26 -0.47 115.64 122.41 1wqk s THR 3 Ca 0.64 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.54 1wqk s THR 3 Cb 0.17 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 1wqk s THR 3 CO -0.07 -0.08 -0.10 0.00 -0.69 0.00 0.00 174.62 173.68 1wqk s TYR 5 N -3.24 3.55 -0.92 0.00 1.51 -1.26 -0.16 117.35 116.82 1wqk s TYR 5 Ca 0.16 -2.40 -0.19 0.00 -1.01 0.00 0.00 57.07 53.63 1wqk s TYR 5 Cb 0.02 -2.93 0.13 0.00 -0.11 0.00 0.00 41.96 39.07 1wqk s TYR 5 CO 0.01 -0.93 1.12 0.00 -1.11 0.00 0.00 175.55 174.64 1wqk n GLY 7 N 5.52 2.81 0.11 0.00 0.00 -1.26 -1.53 105.19 110.84 1wqk n GLY 7 Ca 0.23 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1wqk n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wqk h LYS 8 N 0.00 0.00 -5.27 1.61 1.57 -2.02 -3.46 116.57 109.01 1wqk h LYS 8 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1wqk h LYS 8 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 1wqk h LYS 8 CO 0.00 0.00 -0.06 0.99 -0.57 0.00 0.00 179.45 179.81 1wqk s THR 9 N -3.29 5.05 -0.07 -0.16 2.01 -0.58 -5.03 115.64 113.57 1wqk s THR 9 Ca 0.02 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 1wqk s THR 9 Cb 0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1wqk s THR 9 CO 0.76 -0.07 0.69 -0.51 -0.69 0.00 0.00 174.62 174.80 1wqk s ILE 10 N 2.33 5.05 0.20 1.82 2.07 -1.26 -0.33 121.20 131.08 1wqk s ILE 10 Ca 0.19 1.42 0.05 0.00 -1.41 0.00 0.00 60.65 60.90 1wqk s ILE 10 Cb -0.16 -4.03 -0.05 0.00 0.13 0.00 0.00 42.46 38.36 1wqk s ILE 10 CO 0.12 0.25 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.49 1wqk s GLY 11 N 0.80 1.39 -0.15 1.50 0.00 0.77 -0.53 107.32 111.11 1wqk s GLY 11 Ca 0.37 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1wqk s GLY 11 CO 0.18 -1.68 0.22 -1.50 0.00 0.00 0.00 173.10 170.32 1wqk s ILE 12 N -3.25 5.35 -0.58 0.90 -1.16 0.50 -0.27 121.20 122.69 1wqk s ILE 12 Ca 0.23 0.40 -0.22 0.00 -0.51 0.00 0.00 60.65 60.55 1wqk s ILE 12 Cb 0.03 -3.54 0.06 0.00 0.61 0.00 0.00 42.46 39.62 1wqk s ILE 12 CO 0.06 0.47 0.87 -0.47 -2.81 0.00 0.00 174.94 173.05 1wqk s TYR 13 N 0.01 2.82 -1.22 3.50 5.04 0.39 -0.55 117.35 127.33 1wqk s TYR 13 Ca 0.14 -0.36 -0.17 0.00 -2.44 0.00 0.00 57.07 54.25 1wqk s TYR 13 Cb -0.12 -4.03 0.11 0.00 0.35 0.00 0.00 41.96 38.27 1wqk s TYR 13 CO 0.03 -1.38 1.56 -1.58 -1.34 0.00 0.00 175.55 172.84 1wqk s TRP 14 N 3.64 3.08 -0.21 4.97 0.52 0.82 -4.79 118.94 126.97 1wqk s TRP 14 Ca 0.23 -1.77 -0.29 0.00 0.02 0.00 0.00 56.10 54.29 1wqk s TRP 14 Cb -0.16 -4.55 -0.01 0.00 -1.15 0.00 0.00 33.47 27.60 1wqk s TRP 14 CO 0.14 -1.63 1.29 0.12 0.02 0.00 0.00 176.95 176.88 1wqk s PHE 15 N 3.12 2.77 0.00 -1.98 5.36 -1.26 -1.36 117.98 124.62 1wqk s PHE 15 Ca 0.48 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1wqk s PHE 15 Cb 0.01 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1wqk s PHE 15 CO 0.03 -1.75 0.00 0.41 -1.46 0.00 0.00 175.22 172.45 1wqk n GLY 16 N 3.88 1.82 3.17 13.12 0.00 -0.21 -4.96 105.19 122.01 1wqk n GLY 16 Ca 0.14 0.00 -0.15 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 -1.71 0.97 -1.14 2.61 -1.32 -1.18 -4.95 115.64 108.93 1wqk s THR 17 Ca 0.00 -1.52 0.11 0.00 -1.21 0.00 0.00 61.69 59.08 1wqk s THR 17 Cb 0.00 -1.24 0.25 0.00 -1.51 0.00 0.00 72.50 70.01 1wqk s THR 17 CO 0.00 -0.46 1.15 0.29 -2.21 0.00 0.00 174.62 173.39 1wqk n LYS 18 N 0.80 2.17 -3.76 7.08 5.02 -1.26 -2.12 118.16 126.09 1wqk n LYS 18 Ca -0.18 -1.81 -0.37 0.00 -2.02 0.00 0.00 58.31 53.94 1wqk n LYS 18 Cb 0.57 -1.27 -0.13 0.00 -0.02 0.00 0.00 35.03 34.18 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wqk s THR 19 N -0.99 4.14 -0.16 -0.18 2.01 -1.26 -4.90 115.64 114.29 1wqk s THR 19 Ca 0.21 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1wqk s THR 19 Cb 0.12 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1wqk s THR 19 CO 0.16 0.25 1.64 0.00 -0.69 0.00 0.00 174.62 175.98 1wqk n PRO 21 N 7.49 2.44 -1.19 0.00 -0.02 -1.26 -4.84 135.00 137.62 1wqk n PRO 21 Ca 0.19 0.90 -0.18 0.00 -2.02 0.00 0.00 63.50 62.38 1wqk n PRO 21 Cb 0.44 -2.78 -0.11 0.00 -0.02 0.00 0.00 33.50 31.03 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 6.94 5.81 -0.08 2.55 2.88 -1.26 -3.50 113.62 126.95 1wqk n SER 22 Ca 0.22 -2.81 0.02 0.00 -1.33 0.00 0.00 58.87 54.97 1wqk n SER 22 Cb 0.34 -1.32 0.03 0.00 -0.75 0.00 0.00 64.21 62.50 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 1.71 1.25 0.01 -3.46 6.94 -1.26 -4.82 115.26 115.63 1wqk n ASN 23 Ca 0.44 -1.94 -0.02 0.00 -0.02 0.00 0.00 54.58 53.04 1wqk n ASN 23 Cb 0.74 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 38.04 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 -0.48 0.06 0.00 -3.83 3.00 -1.23 -5.07 116.66 109.11 1wqk n ARG 24 Ca 0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.90 1wqk n ARG 24 Cb 0.46 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.32 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 3.09 1.14 3.77 -0.13 0.00 -1.26 -5.02 105.19 106.78 1wqk n GLY 25 Ca -0.03 0.00 -0.40 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 -1.93 2.98 -0.09 1.61 2.02 -1.26 -4.68 117.35 116.00 1wqk s TYR 26 Ca 0.00 1.46 0.04 0.00 -0.37 0.00 0.00 57.07 58.19 1wqk s TYR 26 Cb 0.00 -3.60 -0.08 0.00 -0.40 0.00 0.00 41.96 37.88 1wqk s TYR 26 CO 0.00 -1.78 -0.03 2.41 -1.57 0.00 0.00 175.55 174.57 1wqk n THR 27 N 0.39 0.55 -4.32 -0.71 -1.04 -0.31 -4.94 114.28 103.90 1wqk n THR 27 Ca 0.02 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.05 61.58 1wqk n THR 27 Cb 0.44 -0.82 -0.09 0.00 -1.82 0.00 0.00 70.33 68.03 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 -4.49 2.08 0.11 3.41 0.00 -0.50 -5.03 107.32 102.91 1wqk s GLY 28 Ca -0.09 -1.79 -0.21 0.00 0.00 0.00 0.00 44.72 42.63 1wqk s GLY 28 CO 0.27 -1.55 0.51 -1.35 0.00 0.00 0.00 173.10 170.98 1wqk s SER 29 N -3.36 -0.42 -0.20 1.64 1.04 -1.26 -0.49 113.70 110.65 1wqk s SER 29 Ca 0.36 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1wqk s SER 29 Cb 0.04 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1wqk s SER 29 CO 0.19 -0.85 -0.11 0.00 0.98 0.00 0.00 173.24 173.45 1wqk s GLY 31 N 1.36 2.12 0.34 0.00 0.00 -1.26 -0.67 107.32 109.20 1wqk s GLY 31 Ca -0.01 1.13 0.06 0.00 0.00 0.00 0.00 44.72 45.90 1wqk s GLY 31 CO -0.08 2.27 0.20 -1.72 0.00 0.00 0.00 173.10 173.77 1wqk n TYR 32 N 3.49 -0.34 -1.55 1.90 4.01 -0.19 -4.91 117.16 119.56 1wqk n TYR 32 Ca 0.10 -2.53 -0.39 0.00 -0.16 0.00 0.00 57.90 54.92 1wqk n TYR 32 Cb 0.42 0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 1wqk n TYR 32 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wqk n PHE 33 N -0.71 1.46 -2.10 -0.72 3.72 -1.26 -1.61 117.46 116.24 1wqk n PHE 33 Ca 0.01 0.11 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 1wqk n PHE 33 Cb 0.56 -2.63 -0.04 0.00 -0.94 0.00 0.00 39.48 36.44 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 14.35 -1.78 -3.86 4.37 7.99 -1.26 -4.83 117.00 131.97 1wqk n LEU 34 Ca 0.39 0.18 -0.08 0.00 -0.01 0.00 0.00 56.01 56.49 1wqk n LEU 34 Cb 0.47 -2.91 -0.01 0.00 -0.11 0.00 0.00 43.42 40.85 1wqk n LEU 34 CO 0.72 -0.54 0.46 -0.83 -1.51 0.00 0.00 177.39 175.69 1wqk s GLY 35 N -2.32 0.18 -0.07 -0.72 0.00 -0.63 -1.05 107.32 102.71 1wqk s GLY 35 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1wqk s GLY 35 CO 0.00 -0.24 -0.05 -1.50 0.00 0.00 0.00 173.10 171.31 1wqk s ILE 36 N -3.33 0.70 -0.63 0.90 2.07 -0.46 -1.03 121.20 119.43 1wqk s ILE 36 Ca 0.14 -0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 59.05 1wqk s ILE 36 Cb -0.05 -0.75 0.11 0.00 0.13 0.00 0.00 42.46 41.90 1wqk s ILE 36 CO 0.09 0.29 0.74 0.00 -1.91 0.00 0.00 174.94 174.16 1wqk s TYR 39 N -1.10 1.02 0.73 0.00 -0.85 0.36 -0.37 117.35 117.14 1wqk s TYR 39 Ca 0.24 -0.84 -0.15 0.00 -0.52 0.00 0.00 57.07 55.80 1wqk s TYR 39 Cb -0.16 -0.56 0.04 0.00 0.38 0.00 0.00 41.96 41.66 1wqk s TYR 39 CO 0.13 -0.06 1.19 -2.14 -1.52 0.00 0.00 175.55 173.15 1wqk s PRO 40 N -3.72 2.16 -0.59 -3.49 0.02 -1.26 -1.17 135.00 126.95 1wqk s PRO 40 Ca 0.13 1.70 -0.26 0.00 0.02 0.00 0.00 61.00 62.58 1wqk s PRO 40 Cb 0.04 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.66 1wqk s PRO 40 CO -0.03 -1.80 2.17 0.54 -0.33 0.00 0.00 177.00 177.56 1wqk s VAL 41 N -2.07 3.17 0.00 3.83 0.11 0.32 -4.72 120.40 121.03 1wqk s VAL 41 Ca 0.73 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1wqk s VAL 41 Cb -0.28 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1wqk s VAL 41 CO 0.46 -0.41 0.00 -0.67 -3.33 0.00 0.00 175.10 171.14