#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 3.96 -4.26 2.61 -2.24 -1.26 -4.97 114.28 108.12 1wqk n THR 2 Ca 0.00 -5.24 -0.17 0.00 -2.27 0.00 0.00 64.05 56.37 1wqk n THR 2 Cb 0.00 -1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 66.71 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 -4.81 0.55 0.28 4.28 2.01 -1.26 -0.94 115.64 115.75 1wqk s THR 3 Ca 0.47 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1wqk s THR 3 Cb 0.32 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1wqk s THR 3 CO -0.22 0.15 0.27 0.00 -0.69 0.00 0.00 174.62 174.13 1wqk s TYR 5 N -3.66 0.67 -0.33 0.00 1.51 -1.26 -0.10 117.35 114.17 1wqk s TYR 5 Ca 0.38 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1wqk s TYR 5 Cb 0.03 -0.57 0.07 0.00 -0.11 0.00 0.00 41.96 41.39 1wqk s TYR 5 CO 0.20 -0.13 0.07 0.00 -1.11 0.00 0.00 175.55 174.57 1wqk n GLY 7 N 4.62 1.33 0.00 0.00 0.00 -1.26 -1.28 105.19 108.60 1wqk n GLY 7 Ca -0.09 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wqk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqk n LYS 8 N 0.00 0.17 -3.42 1.61 2.85 -1.26 -5.05 118.16 113.06 1wqk n LYS 8 Ca 0.00 -0.49 -0.38 0.00 -1.05 0.00 0.00 58.31 56.40 1wqk n LYS 8 Cb 0.00 -0.74 -0.06 0.00 -0.65 0.00 0.00 35.03 33.58 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqk s THR 9 N -0.16 5.16 -0.13 0.58 2.01 -0.40 -5.05 115.64 117.64 1wqk s THR 9 Ca 0.00 0.83 -0.24 0.00 0.31 0.00 0.00 61.69 62.59 1wqk s THR 9 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1wqk s THR 9 CO 0.00 0.42 0.77 -0.51 -0.69 0.00 0.00 174.62 174.61 1wqk s ILE 10 N 0.07 4.95 0.29 1.82 2.07 -1.26 -0.14 121.20 128.99 1wqk s ILE 10 Ca 0.23 1.54 0.10 0.00 -1.41 0.00 0.00 60.65 61.10 1wqk s ILE 10 Cb -0.15 -4.09 -0.06 0.00 0.13 0.00 0.00 42.46 38.29 1wqk s ILE 10 CO 0.10 0.12 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.28 1wqk s GLY 11 N 1.04 1.89 -0.18 1.50 0.00 0.85 -1.44 107.32 110.98 1wqk s GLY 11 Ca 0.38 -1.91 -0.10 0.00 0.00 0.00 0.00 44.72 43.09 1wqk s GLY 11 CO 0.15 -1.93 0.16 -1.50 0.00 0.00 0.00 173.10 169.98 1wqk s ILE 12 N -2.71 5.40 -0.73 0.90 -1.16 0.39 -0.45 121.20 122.84 1wqk s ILE 12 Ca 0.29 0.26 -0.23 0.00 -0.51 0.00 0.00 60.65 60.46 1wqk s ILE 12 Cb -0.01 -3.49 0.07 0.00 0.61 0.00 0.00 42.46 39.65 1wqk s ILE 12 CO 0.13 0.46 1.05 -0.47 -2.81 0.00 0.00 174.94 173.31 1wqk s TYR 13 N 0.16 2.68 -0.74 3.50 5.04 -0.12 -1.00 117.35 126.86 1wqk s TYR 13 Ca 0.11 -0.62 -0.25 0.00 -2.44 0.00 0.00 57.07 53.86 1wqk s TYR 13 Cb -0.12 -4.36 0.05 0.00 0.35 0.00 0.00 41.96 37.89 1wqk s TYR 13 CO -0.00 -1.70 1.19 -1.58 -1.34 0.00 0.00 175.55 172.12 1wqk s TRP 14 N 4.13 2.45 -0.06 4.97 0.52 0.55 -4.70 118.94 126.80 1wqk s TRP 14 Ca 0.26 -0.31 -0.29 0.00 0.02 0.00 0.00 56.10 55.78 1wqk s TRP 14 Cb -0.13 -4.52 -0.02 0.00 -1.15 0.00 0.00 33.47 27.65 1wqk s TRP 14 CO 0.07 -1.92 0.94 0.12 0.02 0.00 0.00 176.95 176.18 1wqk s PHE 15 N 5.06 3.57 0.00 -1.98 5.36 -1.26 -0.89 117.98 127.84 1wqk s PHE 15 Ca 0.32 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1wqk s PHE 15 Cb -0.10 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1wqk s PHE 15 CO 0.11 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.18 1wqk n GLY 16 N 3.05 2.06 3.74 13.12 0.00 -0.10 -4.98 105.19 122.07 1wqk n GLY 16 Ca 0.06 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 4.70 -2.74 2.61 -1.32 -1.26 -4.80 115.64 112.82 1wqk s THR 17 Ca 0.00 1.78 0.25 0.00 -1.21 0.00 0.00 61.69 62.51 1wqk s THR 17 Cb 0.00 -4.19 0.26 0.00 -1.51 0.00 0.00 72.50 67.06 1wqk s THR 17 CO 0.00 0.33 1.37 1.17 -2.21 0.00 0.00 174.62 175.27 1wqk n LYS 18 N 2.95 2.00 -3.28 7.08 0.00 -1.26 -3.78 118.16 121.87 1wqk n LYS 18 Ca -0.00 -1.56 -0.44 0.00 0.00 0.00 0.00 58.31 56.32 1wqk n LYS 18 Cb 0.50 -1.47 -0.08 0.00 0.00 0.00 0.00 35.03 33.99 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 -2.07 5.05 -0.14 3.15 2.01 -1.26 -4.87 115.64 117.51 1wqk s THR 19 Ca 0.29 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1wqk s THR 19 Cb 0.20 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 1wqk s THR 19 CO 0.34 -0.59 2.14 0.00 -0.69 0.00 0.00 174.62 175.82 1wqk n PRO 21 N 8.34 1.17 -0.76 0.00 -0.02 -1.26 -4.79 135.00 137.67 1wqk n PRO 21 Ca 0.27 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1wqk n PRO 21 Cb 0.43 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 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 7.97 4.46 -0.03 2.55 7.64 -1.26 -3.60 113.62 131.35 1wqk n SER 22 Ca 0.35 -2.30 -0.07 0.00 1.01 0.00 0.00 58.87 57.86 1wqk n SER 22 Cb 0.19 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 1wqk n SER 22 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wqk n ASN 23 N 2.37 1.21 -0.02 6.43 2.85 -1.26 -4.81 115.26 122.04 1wqk n ASN 23 Ca 0.29 0.19 -0.11 0.00 -0.11 0.00 0.00 54.58 54.84 1wqk n ASN 23 Cb 0.71 -0.44 -0.09 0.00 1.24 0.00 0.00 39.78 41.19 1wqk n ASN 23 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1wqk h ARG 24 N -0.41 -0.06 0.00 1.20 -0.00 -1.98 -3.48 114.38 109.64 1wqk h ARG 24 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 1wqk h ARG 24 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.71 1wqk h ARG 24 CO -0.07 0.56 0.00 0.41 0.00 0.00 0.00 179.97 180.88 1wqk n GLY 25 N 1.06 0.90 3.69 0.04 0.00 -1.26 -5.00 105.19 104.62 1wqk n GLY 25 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 2.44 -0.04 1.61 4.01 -1.26 -4.80 117.16 119.12 1wqk n TYR 26 Ca 0.00 0.24 -0.05 0.00 -0.16 0.00 0.00 57.90 57.93 1wqk n TYR 26 Cb 0.00 -2.57 -0.04 0.00 -0.31 0.00 0.00 39.34 36.42 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 3.17 0.44 -4.00 -0.72 -1.04 -0.18 -4.95 114.28 106.99 1wqk n THR 27 Ca 0.15 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1wqk n THR 27 Cb 0.32 -0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 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 -4.47 1.99 -0.05 3.41 0.00 0.57 -4.97 107.32 103.80 1wqk s GLY 28 Ca -0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1wqk s GLY 28 CO 0.20 -0.98 0.13 -1.35 0.00 0.00 0.00 173.10 171.10 1wqk s SER 29 N -2.66 -0.12 -0.07 1.64 1.04 -1.26 -0.46 113.70 111.81 1wqk s SER 29 Ca 0.32 0.26 0.04 0.00 0.48 0.00 0.00 55.95 57.05 1wqk s SER 29 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1wqk s SER 29 CO 0.25 -0.07 -0.19 0.00 0.98 0.00 0.00 173.24 174.21 1wqk s GLY 31 N 0.24 2.27 0.26 0.00 0.00 -1.26 0.12 107.32 108.95 1wqk s GLY 31 Ca -0.11 1.29 0.01 0.00 0.00 0.00 0.00 44.72 45.91 1wqk s GLY 31 CO 0.05 2.28 0.13 -0.47 0.00 0.00 0.00 173.10 175.08 1wqk s TYR 32 N 0.15 1.47 -0.60 1.90 5.04 -0.02 -4.83 117.35 120.46 1wqk s TYR 32 Ca 0.60 -1.30 -0.26 0.00 -2.44 0.00 0.00 57.07 53.67 1wqk s TYR 32 Cb -0.41 -0.80 -0.09 0.00 0.35 0.00 0.00 41.96 41.01 1wqk s TYR 32 CO 0.41 -0.48 2.38 -0.06 -1.34 0.00 0.00 175.55 176.46 1wqk s PHE 33 N -3.79 1.12 -1.58 4.97 0.08 -1.26 -1.63 117.98 115.89 1wqk s PHE 33 Ca 0.37 1.68 0.00 0.00 0.12 0.00 0.00 56.93 59.10 1wqk s PHE 33 Cb 0.07 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1wqk s PHE 33 CO 0.15 -2.18 0.00 1.28 -0.10 0.00 0.00 175.22 174.36 1wqk n LEU 34 N 16.74 -1.76 0.00 -0.37 4.32 -1.26 -4.89 117.00 129.78 1wqk n LEU 34 Ca 0.40 0.04 -0.04 0.00 -0.02 0.00 0.00 56.01 56.39 1wqk n LEU 34 Cb 0.51 -2.59 0.02 0.00 -1.62 0.00 0.00 43.42 39.73 1wqk n LEU 34 CO 0.65 -0.28 0.41 0.61 -1.22 0.00 0.00 177.39 177.56 1wqk n GLY 35 N -0.99 1.14 2.92 -0.72 0.00 -0.65 -0.92 105.19 105.97 1wqk n GLY 35 Ca -0.21 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.36 0.34 -0.61 -0.61 2.07 -0.07 -0.84 121.20 119.12 1wqk s ILE 36 Ca 0.12 -0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.03 1wqk s ILE 36 Cb -0.03 -0.32 0.10 0.00 0.13 0.00 0.00 42.46 42.34 1wqk s ILE 36 CO 0.06 0.12 0.76 0.00 -1.91 0.00 0.00 174.94 173.97 1wqk s TYR 39 N 1.93 2.10 0.56 0.00 -0.85 0.39 -0.46 117.35 121.02 1wqk s TYR 39 Ca 0.11 -0.44 -0.15 0.00 -0.52 0.00 0.00 57.07 56.07 1wqk s TYR 39 Cb -0.16 -0.97 -0.06 0.00 0.38 0.00 0.00 41.96 41.15 1wqk s TYR 39 CO 0.11 0.57 1.01 -2.14 -1.52 0.00 0.00 175.55 173.58 1wqk s PRO 40 N -3.57 3.71 -0.46 -3.49 0.02 -1.26 -0.31 135.00 129.63 1wqk s PRO 40 Ca 0.28 0.93 -0.26 0.00 0.02 0.00 0.00 61.00 61.96 1wqk s PRO 40 Cb -0.03 -2.10 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 1wqk s PRO 40 CO 0.12 -0.47 2.28 0.08 -0.33 0.00 0.00 177.00 178.68 1wqk s VAL 41 N -2.79 3.08 -2.00 3.83 1.01 -0.52 -4.65 120.40 118.37 1wqk s VAL 41 Ca 0.58 0.05 0.32 0.00 0.00 0.00 0.00 61.98 62.93 1wqk s VAL 41 Cb -0.11 -3.18 0.90 0.00 0.00 0.00 0.00 36.38 33.99 1wqk s VAL 41 CO 0.40 -0.16 2.22 0.47 0.00 0.00 0.00 175.10 178.02