#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxn n THR 2 N 0.00 3.64 -2.66 2.61 -2.24 -1.26 -4.96 114.28 109.42 1wxn n THR 2 Ca 0.00 -3.54 -0.39 0.00 -2.27 0.00 0.00 64.05 57.85 1wxn n THR 2 Cb 0.00 -2.45 -0.05 0.00 -2.10 0.00 0.00 70.33 65.72 1wxn n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxn s ALA 3 N 3.99 3.30 0.15 6.98 0.00 -1.26 -0.09 121.76 134.82 1wxn s ALA 3 Ca 0.51 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 1wxn s ALA 3 Cb 0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1wxn s ALA 3 CO 0.01 0.05 0.09 0.00 0.00 0.00 0.00 175.76 175.91 1wxn s SER 5 N -3.06 1.52 -0.66 0.00 0.01 -1.26 -1.14 113.70 109.10 1wxn s SER 5 Ca 0.26 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.33 1wxn s SER 5 Cb 0.07 -0.17 0.17 0.00 0.21 0.00 0.00 66.02 66.31 1wxn s SER 5 CO 0.04 0.16 0.49 0.00 0.41 0.00 0.00 173.24 174.33 1wxn n GLY 7 N 2.02 0.86 0.08 0.00 0.00 -1.26 -1.38 105.19 105.51 1wxn n GLY 7 Ca 0.22 0.44 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 1wxn n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wxn n ASN 8 N 5.63 0.41 -4.78 1.61 5.15 -1.26 -4.93 115.26 117.09 1wxn n ASN 8 Ca 0.00 0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.78 1wxn n ASN 8 Cb 0.00 0.69 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wxn s SER 9 N -5.56 7.32 -0.02 1.20 0.01 -0.48 -4.92 113.70 111.25 1wxn s SER 9 Ca -0.07 1.61 0.01 0.00 1.31 0.00 0.00 55.95 58.81 1wxn s SER 9 Cb 0.08 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1wxn s SER 9 CO 0.83 0.17 -0.03 -0.54 0.41 0.00 0.00 173.24 174.08 1wxn s LYS 10 N -1.34 0.45 0.00 12.44 1.02 -1.19 0.18 119.74 131.30 1wxn s LYS 10 Ca 0.38 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1wxn s LYS 10 Cb -0.22 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 1wxn s LYS 10 CO 0.25 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 1wxn n GLY 11 N 3.62 2.40 3.11 -3.33 0.00 -0.29 -0.53 105.19 110.16 1wxn n GLY 11 Ca -0.21 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1wxn n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxn s ILE 12 N 0.73 1.20 -0.13 -0.61 -1.09 -0.15 -0.34 121.20 120.80 1wxn s ILE 12 Ca 0.00 -0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 57.73 1wxn s ILE 12 Cb 0.00 -1.02 -0.04 0.00 -1.58 0.00 0.00 42.46 39.82 1wxn s ILE 12 CO 0.00 0.35 0.14 -0.72 -1.23 0.00 0.00 174.94 173.48 1wxn s TYR 13 N -0.11 3.58 0.18 3.97 1.13 0.87 -0.95 117.35 126.01 1wxn s TYR 13 Ca 0.01 0.51 0.04 0.00 -1.41 0.00 0.00 57.07 56.22 1wxn s TYR 13 Cb -0.08 -1.98 -0.04 0.00 -1.10 0.00 0.00 41.96 38.77 1wxn s TYR 13 CO 0.01 0.68 0.25 -1.58 -2.51 0.00 0.00 175.55 172.39 1wxn s TRP 14 N -0.84 3.34 -0.41 -3.49 0.52 0.13 -4.75 118.94 113.45 1wxn s TRP 14 Ca 0.14 0.03 -0.21 0.00 0.02 0.00 0.00 56.10 56.07 1wxn s TRP 14 Cb -0.12 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 1wxn s TRP 14 CO 0.03 0.50 0.69 -0.06 0.02 0.00 0.00 176.95 178.13 1wxn s PHE 15 N -1.83 3.08 -0.43 -1.98 0.08 -1.26 -0.14 117.98 115.49 1wxn s PHE 15 Ca 0.33 0.17 -0.28 0.00 0.12 0.00 0.00 56.93 57.28 1wxn s PHE 15 Cb -0.10 -3.37 0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1wxn s PHE 15 CO 0.27 -0.81 0.62 0.66 -0.10 0.00 0.00 175.22 175.85 1wxn n TYR 16 N 6.32 -3.04 -3.95 0.36 4.01 -0.65 -4.90 117.16 115.32 1wxn n TYR 16 Ca -0.00 1.25 -0.30 0.00 -0.16 0.00 0.00 57.90 58.69 1wxn n TYR 16 Cb 0.48 -2.83 -0.16 0.00 -0.31 0.00 0.00 39.34 36.52 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wxn s ARG 17 N -2.49 1.73 0.17 -0.72 1.81 -1.26 -4.99 118.95 113.20 1wxn s ARG 17 Ca 0.32 -0.80 0.12 0.00 -1.72 0.00 0.00 55.73 53.64 1wxn s ARG 17 Cb -0.05 -2.36 0.63 0.00 -0.45 0.00 0.00 34.95 32.72 1wxn s ARG 17 CO 0.82 -0.49 1.36 -2.30 -0.68 0.00 0.00 175.30 174.01 1wxn n PRO 18 N 4.73 0.07 -3.78 3.54 -0.02 -1.26 -4.56 135.00 133.73 1wxn n PRO 18 Ca -0.13 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1wxn n PRO 18 Cb 0.46 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1wxn n PRO 18 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1wxn s SER 19 N -3.55 -0.16 -0.34 2.55 1.04 -1.26 -5.13 113.70 106.85 1wxn s SER 19 Ca -0.01 0.05 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 1wxn s SER 19 Cb 0.03 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1wxn s SER 19 CO 0.11 -0.42 0.96 0.00 0.98 0.00 0.00 173.24 174.87 1wxn s PRO 21 N 3.47 4.24 -0.90 0.00 0.02 -1.26 -4.88 135.00 135.68 1wxn s PRO 21 Ca 0.40 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 63.66 1wxn s PRO 21 Cb -0.12 -3.15 -0.16 0.00 0.02 0.00 0.00 34.50 31.09 1wxn s PRO 21 CO 0.17 -0.54 3.16 2.41 -0.33 0.00 0.00 177.00 181.87 1wxn n THR 22 N 3.44 3.63 -0.02 0.99 -1.04 -1.26 -4.50 114.28 115.52 1wxn n THR 22 Ca 0.11 -2.04 -0.01 0.00 -2.04 0.00 0.00 64.05 60.07 1wxn n THR 22 Cb 0.39 -2.32 -0.00 0.00 -1.82 0.00 0.00 70.33 66.58 1wxn n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1wxn h ASP 23 N 4.25 0.00 -0.26 8.00 3.58 -1.97 -3.38 116.42 126.65 1wxn h ASP 23 Ca 0.56 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.99 1wxn h ASP 23 Cb 0.78 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1wxn h ASP 23 CO 1.11 0.17 0.03 0.54 -2.88 0.00 0.00 179.24 178.21 1wxn n ARG 24 N -2.79 2.49 -2.40 0.28 1.74 -1.26 -4.84 116.66 109.87 1wxn n ARG 24 Ca -0.01 -1.30 -0.17 0.00 -0.77 0.00 0.00 57.85 55.61 1wxn n ARG 24 Cb 0.04 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.69 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxn n GLY 25 N 0.21 -0.46 3.13 -0.13 0.00 -1.26 -4.86 105.19 101.82 1wxn n GLY 25 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1wxn n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wxn n TYR 26 N -3.66 -0.34 -0.13 1.61 4.01 -1.26 -4.85 117.16 112.54 1wxn n TYR 26 Ca -0.20 0.90 -0.27 0.00 -0.16 0.00 0.00 57.90 58.17 1wxn n TYR 26 Cb 0.65 -1.81 -0.11 0.00 -0.31 0.00 0.00 39.34 37.76 1wxn n TYR 26 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wxn n THR 27 N 0.15 1.53 -3.77 -0.72 -1.04 -0.06 -4.85 114.28 105.53 1wxn n THR 27 Ca 0.17 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 1wxn n THR 27 Cb 0.21 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 66.77 1wxn n THR 27 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wxn s GLY 28 N -5.42 2.26 -0.43 3.41 0.00 0.13 -4.94 107.32 102.32 1wxn s GLY 28 Ca -0.36 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1wxn s GLY 28 CO 0.52 -0.25 0.20 -0.56 0.00 0.00 0.00 173.10 173.01 1wxn s SER 29 N -1.17 4.02 0.31 1.64 0.01 -1.26 -0.25 113.70 117.01 1wxn s SER 29 Ca 0.19 -2.54 0.07 0.00 1.31 0.00 0.00 55.95 54.99 1wxn s SER 29 Cb -0.13 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 1wxn s SER 29 CO 0.09 -0.29 0.26 0.00 0.41 0.00 0.00 173.24 173.71 1wxn s ARG 31 N -3.95 4.02 0.32 0.00 3.52 -1.26 0.65 118.95 122.25 1wxn s ARG 31 Ca 0.38 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 56.20 1wxn s ARG 31 Cb -0.06 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1wxn s ARG 31 CO 0.26 0.46 0.24 -0.47 -0.81 0.00 0.00 175.30 174.97 1wxn s TYR 32 N -0.21 2.89 0.41 5.12 5.04 0.14 -4.74 117.35 125.98 1wxn s TYR 32 Ca 0.18 -0.29 0.18 0.00 -2.44 0.00 0.00 57.07 54.71 1wxn s TYR 32 Cb -0.14 -1.68 1.09 0.00 0.35 0.00 0.00 41.96 41.58 1wxn s TYR 32 CO 0.06 0.28 1.81 0.74 -1.34 0.00 0.00 175.55 177.10 1wxn h PHE 33 N 1.37 0.61 -0.02 4.97 0.04 -1.98 -0.84 116.94 121.10 1wxn h PHE 33 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1wxn h PHE 33 Cb 1.25 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1wxn h PHE 33 CO 0.56 0.10 -0.47 1.28 -0.60 0.00 0.00 178.31 179.18 1wxn n LEU 34 N -4.57 2.00 0.00 1.54 7.99 -1.26 -5.05 117.00 117.65 1wxn n LEU 34 Ca 0.23 -0.76 0.00 0.00 -0.01 0.00 0.00 56.01 55.47 1wxn n LEU 34 Cb 0.80 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1wxn n LEU 34 CO 0.28 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1wxn n GLY 35 N 1.40 -0.54 3.27 -0.72 0.00 -0.32 -1.64 105.19 106.64 1wxn n GLY 35 Ca 0.09 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1wxn n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxn s THR 36 N -0.28 3.55 -0.74 2.61 2.01 0.80 0.26 115.64 123.85 1wxn s THR 36 Ca 0.00 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.75 1wxn s THR 36 Cb 0.00 -2.92 0.06 0.00 0.01 0.00 0.00 72.50 69.65 1wxn s THR 36 CO 0.00 -0.02 1.12 0.00 -0.69 0.00 0.00 174.62 175.03 1wxn s THR 39 N 1.98 2.07 0.00 0.00 -4.23 0.65 -0.98 115.64 115.13 1wxn s THR 39 Ca 0.11 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1wxn s THR 39 Cb -0.17 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1wxn s THR 39 CO 0.12 0.31 0.00 -0.81 -0.54 0.00 0.00 174.62 173.70 1wxn n PRO 40 N 4.56 0.00 -1.03 3.99 -0.04 -1.11 0.17 135.00 141.54 1wxn n PRO 40 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1wxn n PRO 40 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 1wxn n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxn n ALA 41 N -3.00 3.60 -0.67 0.55 0.00 -0.68 -3.15 120.51 117.16 1wxn n ALA 41 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1wxn n ALA 41 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03