#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 3.73 -2.34 2.61 -2.24 -1.26 -4.96 114.28 109.82 1wxn n THR 2 Ca 0.00 -3.78 -0.39 0.00 -2.27 0.00 0.00 64.05 57.61 1wxn n THR 2 Cb 0.00 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 65.81 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 4.39 3.28 0.08 6.98 0.00 -1.26 -0.47 121.76 134.76 1wxn s ALA 3 Ca 0.53 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 1wxn s ALA 3 Cb 0.06 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1wxn s ALA 3 CO 0.05 -0.41 0.27 0.00 0.00 0.00 0.00 175.76 175.68 1wxn s SER 5 N -2.51 1.64 -0.56 0.00 0.15 -1.26 -0.63 113.70 110.52 1wxn s SER 5 Ca 0.00 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1wxn s SER 5 Cb 0.02 -0.16 0.14 0.00 -1.71 0.00 0.00 66.02 64.31 1wxn s SER 5 CO -0.08 0.14 0.33 0.00 1.20 0.00 0.00 173.24 174.83 1wxn n GLY 7 N 3.30 0.83 0.10 0.00 0.00 -1.26 -1.24 105.19 106.91 1wxn n GLY 7 Ca 0.06 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 7.97 1.16 -4.78 1.61 5.15 -1.26 -4.95 115.26 120.17 1wxn n ASN 8 Ca 0.00 0.33 -0.37 0.00 -0.60 0.00 0.00 54.58 53.93 1wxn n ASN 8 Cb 0.00 -0.21 -0.06 0.00 -0.53 0.00 0.00 39.78 38.98 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 -6.30 7.32 -0.00 1.20 0.01 -0.38 -4.96 113.70 110.59 1wxn s SER 9 Ca -0.10 1.89 0.01 0.00 1.31 0.00 0.00 55.95 59.07 1wxn s SER 9 Cb 0.08 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1wxn s SER 9 CO 0.81 -0.09 -0.04 -1.59 0.41 0.00 0.00 173.24 172.74 1wxn s LYS 10 N -1.96 0.33 0.00 12.44 -2.85 -1.19 0.33 119.74 126.84 1wxn s LYS 10 Ca 0.49 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 1wxn s LYS 10 Cb -0.21 -0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.25 1wxn s LYS 10 CO 0.26 0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.21 1wxn n GLY 11 N 2.94 2.35 3.13 0.59 0.00 0.20 -0.58 105.19 113.83 1wxn n GLY 11 Ca -0.13 -0.04 -0.26 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 0.46 1.43 -0.13 -0.61 -1.09 -0.28 -0.62 121.20 120.36 1wxn s ILE 12 Ca 0.00 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 1wxn s ILE 12 Cb 0.00 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.60 1wxn s ILE 12 CO 0.00 0.41 0.27 -0.72 -1.23 0.00 0.00 174.94 173.67 1wxn s TYR 13 N 0.08 3.52 -0.06 3.97 1.13 0.38 -0.73 117.35 125.64 1wxn s TYR 13 Ca -0.05 0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 56.20 1wxn s TYR 13 Cb -0.12 -2.24 -0.04 0.00 -1.10 0.00 0.00 41.96 38.46 1wxn s TYR 13 CO 0.02 0.40 0.12 -1.58 -2.51 0.00 0.00 175.55 172.00 1wxn s TRP 14 N -0.05 3.46 -0.51 -3.49 0.52 0.11 -4.75 118.94 114.24 1wxn s TRP 14 Ca 0.17 0.37 -0.29 0.00 0.02 0.00 0.00 56.10 56.37 1wxn s TRP 14 Cb -0.13 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1wxn s TRP 14 CO 0.05 0.64 1.20 -0.06 0.02 0.00 0.00 176.95 178.80 1wxn s PHE 15 N -1.14 2.68 -0.85 -1.98 0.08 -1.26 0.25 117.98 115.76 1wxn s PHE 15 Ca 0.20 0.60 -0.04 0.00 0.12 0.00 0.00 56.93 57.82 1wxn s PHE 15 Cb -0.12 -4.45 -0.01 0.00 -0.57 0.00 0.00 43.02 37.87 1wxn s PHE 15 CO 0.10 -1.48 0.71 0.66 -0.10 0.00 0.00 175.22 175.11 1wxn n TYR 16 N 8.23 -2.53 -3.84 0.36 4.01 -0.71 -4.93 117.16 117.75 1wxn n TYR 16 Ca 0.11 0.93 -0.36 0.00 -0.16 0.00 0.00 57.90 58.42 1wxn n TYR 16 Cb 0.49 -3.67 -0.13 0.00 -0.31 0.00 0.00 39.34 35.72 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 -4.09 3.34 0.52 -0.72 1.81 -1.26 -4.99 118.95 113.56 1wxn s ARG 17 Ca 0.12 -0.67 0.32 0.00 -1.72 0.00 0.00 55.73 53.77 1wxn s ARG 17 Cb -0.03 -3.17 1.73 0.00 -0.45 0.00 0.00 34.95 33.03 1wxn s ARG 17 CO 0.80 -0.27 1.96 -1.00 -0.68 0.00 0.00 175.30 176.12 1wxn h PRO 18 N 8.16 0.00 -1.98 3.54 0.13 -1.98 -3.41 132.00 136.46 1wxn h PRO 18 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1wxn h PRO 18 Cb 1.15 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 1wxn h PRO 18 CO 0.59 0.00 0.16 0.45 -0.23 0.00 0.00 178.00 178.98 1wxn s SER 19 N -4.50 -0.71 -0.32 1.44 0.15 -1.26 -5.13 113.70 103.37 1wxn s SER 19 Ca -0.04 1.26 -0.29 0.00 0.70 0.00 0.00 55.95 57.59 1wxn s SER 19 Cb 0.09 1.24 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1wxn s SER 19 CO 0.29 -0.32 1.06 0.00 1.20 0.00 0.00 173.24 175.47 1wxn s PRO 21 N 3.61 4.25 -0.98 0.00 0.04 -1.26 -4.90 135.00 135.76 1wxn s PRO 21 Ca 0.45 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 1wxn s PRO 21 Cb -0.12 -3.71 -0.12 0.00 0.04 0.00 0.00 34.50 30.58 1wxn s PRO 21 CO 0.15 -0.67 3.13 -2.37 0.04 0.00 0.00 177.00 177.29 1wxn n THR 22 N 5.02 3.90 -0.01 1.26 5.66 -1.26 -4.31 114.28 124.54 1wxn n THR 22 Ca 0.14 -2.39 -0.21 0.00 -3.05 0.00 0.00 64.05 58.54 1wxn n THR 22 Cb 0.44 -2.30 -0.13 0.00 -1.55 0.00 0.00 70.33 66.78 1wxn n THR 22 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1wxn h ASP 23 N 4.17 0.29 -0.94 1.09 3.32 -1.99 -3.38 116.42 118.99 1wxn h ASP 23 Ca 0.60 -0.82 -0.49 0.00 0.02 0.00 0.00 57.03 56.34 1wxn h ASP 23 Cb 0.73 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 39.89 1wxn h ASP 23 CO 1.18 1.52 0.59 0.54 -1.72 0.00 0.00 179.24 181.35 1wxn n ARG 24 N -4.08 2.23 -3.07 3.56 3.00 -1.26 -4.91 116.66 112.13 1wxn n ARG 24 Ca -0.24 -3.03 -0.18 0.00 -0.01 0.00 0.00 57.85 54.39 1wxn n ARG 24 Cb 0.82 -2.15 -0.01 0.00 0.00 0.00 0.00 32.46 31.12 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wxn n GLY 25 N -1.14 -0.49 3.56 -0.13 0.00 -1.26 -4.84 105.19 100.90 1wxn n GLY 25 Ca 0.57 0.05 -0.49 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.63 1.16 -0.10 1.61 4.01 -1.26 -4.75 117.16 114.20 1wxn n TYR 26 Ca -0.04 0.72 -0.20 0.00 -0.16 0.00 0.00 57.90 58.22 1wxn n TYR 26 Cb 0.55 -2.25 -0.11 0.00 -0.31 0.00 0.00 39.34 37.22 1wxn n TYR 26 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wxn h THR 27 N 2.54 0.95 -3.17 -0.72 2.02 -1.18 -3.46 112.91 109.88 1wxn h THR 27 Ca -0.42 -2.12 -0.67 0.00 0.77 0.00 0.00 66.41 63.96 1wxn h THR 27 Cb 1.35 2.21 -0.34 0.00 -1.74 0.00 0.00 68.15 69.63 1wxn h THR 27 CO 0.68 0.32 -0.83 -0.83 0.37 0.00 0.00 175.52 175.24 1wxn s GLY 28 N -4.74 1.45 -0.81 2.16 0.00 0.84 -4.96 107.32 101.26 1wxn s GLY 28 Ca -0.27 -1.25 -0.15 0.00 0.00 0.00 0.00 44.72 43.05 1wxn s GLY 28 CO 0.58 0.33 0.77 -0.56 0.00 0.00 0.00 173.10 174.22 1wxn s SER 29 N 1.31 6.71 0.16 1.64 0.01 -1.26 -0.49 113.70 121.79 1wxn s SER 29 Ca 0.04 -2.57 -0.05 0.00 1.31 0.00 0.00 55.95 54.68 1wxn s SER 29 Cb -0.14 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 1wxn s SER 29 CO -0.11 -0.63 0.41 0.00 0.41 0.00 0.00 173.24 173.32 1wxn s ARG 31 N -2.72 3.18 0.64 0.00 3.00 -1.26 0.77 118.95 122.56 1wxn s ARG 31 Ca 0.42 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.73 54.41 1wxn s ARG 31 Cb -0.12 -4.29 -0.02 0.00 0.00 0.00 0.00 34.95 30.52 1wxn s ARG 31 CO 0.24 -1.98 1.04 -0.47 0.00 0.00 0.00 175.30 174.14 1wxn s TYR 32 N 4.76 3.53 0.35 5.12 5.04 0.12 -4.90 117.35 131.37 1wxn s TYR 32 Ca 0.29 1.20 0.13 0.00 -2.44 0.00 0.00 57.07 56.24 1wxn s TYR 32 Cb -0.12 -2.82 0.96 0.00 0.35 0.00 0.00 41.96 40.33 1wxn s TYR 32 CO 0.11 -0.83 1.75 0.74 -1.34 0.00 0.00 175.55 175.97 1wxn h PHE 33 N -0.41 0.89 -0.22 4.97 0.04 -1.99 -1.16 116.94 119.05 1wxn h PHE 33 Ca -0.44 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1wxn h PHE 33 Cb 1.21 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1wxn h PHE 33 CO 0.61 0.07 0.00 1.28 -0.60 0.00 0.00 178.31 179.67 1wxn n LEU 34 N -4.78 2.63 0.00 1.54 7.99 -1.26 -5.08 117.00 118.04 1wxn n LEU 34 Ca 0.26 -2.03 0.00 0.00 -0.01 0.00 0.00 56.01 54.23 1wxn n LEU 34 Cb 0.79 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1wxn n LEU 34 CO 0.20 0.65 0.00 0.61 -1.51 0.00 0.00 177.39 177.34 1wxn n GLY 35 N 0.13 -0.60 3.36 -0.72 0.00 -0.44 -1.74 105.19 105.18 1wxn n GLY 35 Ca 0.08 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.00 4.63 -0.90 2.61 2.01 0.14 0.15 115.64 120.28 1wxn s THR 36 Ca 0.00 -1.01 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 1wxn s THR 36 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1wxn s THR 36 CO 0.00 -0.36 1.38 0.00 -0.69 0.00 0.00 174.62 174.96 1wxn s THR 39 N 3.19 2.66 0.00 0.00 -4.23 0.36 -1.13 115.64 116.49 1wxn s THR 39 Ca 0.19 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1wxn s THR 39 Cb -0.19 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1wxn s THR 39 CO 0.11 -0.12 0.00 -0.81 -0.54 0.00 0.00 174.62 173.27 1wxn n PRO 40 N 4.53 0.00 -0.96 3.99 -0.04 -1.08 -0.11 135.00 141.33 1wxn n PRO 40 Ca -0.12 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1wxn n PRO 40 Cb 0.43 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 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 -1.45 -1.15 1.51 0.55 0.00 0.24 -3.16 120.51 117.04 1wxn n ALA 41 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1wxn n ALA 41 Cb 0.00 -0.36 0.53 0.00 0.00 0.00 0.00 19.45 19.62 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03