#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 3.77 -2.57 2.61 -2.24 -1.26 -4.97 114.28 109.63 1wxn n THR 2 Ca 0.00 -3.36 -0.38 0.00 -2.27 0.00 0.00 64.05 58.04 1wxn n THR 2 Cb 0.00 -2.54 -0.05 0.00 -2.10 0.00 0.00 70.33 65.65 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 2.33 3.21 0.28 6.98 0.00 -1.26 0.00 121.76 133.30 1wxn s ALA 3 Ca 0.47 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1wxn s ALA 3 Cb 0.13 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1wxn s ALA 3 CO -0.06 -0.12 0.36 0.00 0.00 0.00 0.00 175.76 175.93 1wxn s SER 5 N -3.19 -0.18 -0.68 0.00 0.01 -1.26 -1.53 113.70 106.87 1wxn s SER 5 Ca 0.32 0.34 0.05 0.00 1.31 0.00 0.00 55.95 57.97 1wxn s SER 5 Cb 0.02 0.36 0.17 0.00 0.21 0.00 0.00 66.02 66.78 1wxn s SER 5 CO 0.17 -0.08 0.48 0.00 0.41 0.00 0.00 173.24 174.22 1wxn n GLY 7 N 2.05 1.21 0.08 0.00 0.00 -1.26 -1.53 105.19 105.73 1wxn n GLY 7 Ca 0.20 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 6.97 0.50 -4.70 1.61 5.15 -1.26 -4.90 115.26 118.63 1wxn n ASN 8 Ca 0.00 0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.77 1wxn n ASN 8 Cb 0.00 0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 40.03 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 -5.34 7.22 -0.09 1.20 0.01 -0.58 -4.93 113.70 111.18 1wxn s SER 9 Ca -0.05 1.49 0.05 0.00 1.31 0.00 0.00 55.95 58.74 1wxn s SER 9 Cb 0.10 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1wxn s SER 9 CO 0.84 -0.35 -0.24 -0.54 0.41 0.00 0.00 173.24 173.36 1wxn s LYS 10 N 1.59 2.91 0.00 12.44 1.02 -1.17 0.05 119.74 136.58 1wxn s LYS 10 Ca 0.47 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1wxn s LYS 10 Cb -0.19 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1wxn s LYS 10 CO 0.20 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1wxn n GLY 11 N 3.37 2.44 3.08 -3.33 0.00 -0.58 -0.27 105.19 109.90 1wxn n GLY 11 Ca -0.19 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 0.27 1.13 -0.08 -0.61 -1.09 -0.36 -0.72 121.20 119.73 1wxn s ILE 12 Ca 0.00 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.76 1wxn s ILE 12 Cb 0.00 -0.97 -0.05 0.00 -1.58 0.00 0.00 42.46 39.86 1wxn s ILE 12 CO 0.00 0.33 0.23 -0.72 -1.23 0.00 0.00 174.94 173.56 1wxn s TYR 13 N 0.04 3.64 0.09 3.97 1.13 0.10 -0.78 117.35 125.54 1wxn s TYR 13 Ca -0.02 0.69 0.05 0.00 -1.41 0.00 0.00 57.07 56.38 1wxn s TYR 13 Cb -0.09 -2.07 -0.04 0.00 -1.10 0.00 0.00 41.96 38.66 1wxn s TYR 13 CO 0.01 0.70 -0.03 -1.58 -2.51 0.00 0.00 175.55 172.14 1wxn s TRP 14 N -1.01 2.92 -1.04 -3.49 0.52 0.12 -4.75 118.94 112.21 1wxn s TRP 14 Ca 0.18 -0.06 -0.23 0.00 0.02 0.00 0.00 56.10 56.01 1wxn s TRP 14 Cb -0.14 -1.51 0.05 0.00 -1.15 0.00 0.00 33.47 30.72 1wxn s TRP 14 CO 0.07 0.47 1.51 -0.06 0.02 0.00 0.00 176.95 178.95 1wxn s PHE 15 N -1.29 2.52 -0.75 -1.98 0.08 -1.26 0.14 117.98 115.43 1wxn s PHE 15 Ca 0.25 -0.84 -0.03 0.00 0.12 0.00 0.00 56.93 56.43 1wxn s PHE 15 Cb -0.12 -4.67 -0.03 0.00 -0.57 0.00 0.00 43.02 37.63 1wxn s PHE 15 CO 0.17 -1.91 0.68 0.66 -0.10 0.00 0.00 175.22 174.72 1wxn n TYR 16 N 9.11 -2.23 -3.59 0.36 4.01 -1.25 -4.93 117.16 118.65 1wxn n TYR 16 Ca 0.35 0.81 -0.39 0.00 -0.16 0.00 0.00 57.90 58.52 1wxn n TYR 16 Cb 0.50 -3.76 -0.11 0.00 -0.31 0.00 0.00 39.34 35.66 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 -3.64 3.79 0.00 -0.72 1.81 -1.26 -4.96 118.95 113.98 1wxn s ARG 17 Ca 0.21 -0.43 0.18 0.00 -1.72 0.00 0.00 55.73 53.98 1wxn s ARG 17 Cb -0.03 -3.67 1.03 0.00 -0.45 0.00 0.00 34.95 31.84 1wxn s ARG 17 CO 0.61 -0.26 1.50 -2.30 -0.68 0.00 0.00 175.30 174.18 1wxn n PRO 18 N 5.06 0.48 -3.64 3.54 -0.02 -1.26 -4.60 135.00 134.56 1wxn n PRO 18 Ca -0.14 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.28 1wxn n PRO 18 Cb 0.51 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 1wxn n PRO 18 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wxn s SER 19 N -2.16 -0.87 -0.14 2.55 0.15 -1.26 -5.14 113.70 106.83 1wxn s SER 19 Ca 0.24 1.48 -0.29 0.00 0.70 0.00 0.00 55.95 58.08 1wxn s SER 19 Cb 0.12 1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 65.84 1wxn s SER 19 CO 0.23 -0.24 1.02 0.00 1.20 0.00 0.00 173.24 175.44 1wxn n PRO 21 N 5.36 0.22 0.00 0.00 -0.02 -1.26 -4.77 135.00 134.53 1wxn n PRO 21 Ca 0.10 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1wxn n PRO 21 Cb 0.48 -1.71 0.73 0.00 -0.02 0.00 0.00 33.50 32.97 1wxn n PRO 21 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1wxn n THR 22 N 6.76 0.09 0.19 3.45 5.66 -1.26 -2.29 114.28 126.88 1wxn n THR 22 Ca 0.53 0.02 0.09 0.00 -3.05 0.00 0.00 64.05 61.64 1wxn n THR 22 Cb 0.03 -0.59 0.15 0.00 -1.55 0.00 0.00 70.33 68.37 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 0.00 0.00 -0.47 1.09 5.19 -2.00 -3.16 116.42 117.07 1wxn h ASP 23 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wxn h ASP 23 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1wxn h ASP 23 CO 0.00 0.20 0.00 0.54 -3.12 0.00 0.00 179.24 176.86 1wxn n ARG 24 N -3.16 3.83 -2.93 3.56 3.00 -0.97 -4.96 116.66 115.03 1wxn n ARG 24 Ca 0.03 -2.91 -0.17 0.00 -0.01 0.00 0.00 57.85 54.79 1wxn n ARG 24 Cb 0.59 -1.96 -0.00 0.00 0.00 0.00 0.00 32.46 31.09 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 0.37 -0.49 3.65 -0.13 0.00 -1.19 -4.86 105.19 102.54 1wxn n GLY 25 Ca 0.24 0.05 -0.47 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.61 2.05 -0.11 1.61 4.01 -1.26 -4.66 117.16 115.19 1wxn n TYR 26 Ca -0.07 0.40 -0.24 0.00 -0.16 0.00 0.00 57.90 57.83 1wxn n TYR 26 Cb 0.57 -2.47 -0.11 0.00 -0.31 0.00 0.00 39.34 37.01 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 2.83 1.56 -3.95 -0.72 -1.04 -0.24 -4.85 114.28 107.87 1wxn n THR 27 Ca 0.16 -0.38 -0.25 0.00 -2.04 0.00 0.00 64.05 61.54 1wxn n THR 27 Cb 0.27 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 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 -5.57 1.61 -0.43 3.41 0.00 0.14 -4.94 107.32 101.54 1wxn s GLY 28 Ca -0.33 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1wxn s GLY 28 CO 0.58 -1.07 0.50 1.44 0.00 0.00 0.00 173.10 174.55 1wxn n SER 29 N -0.71 -1.00 -4.83 1.64 7.64 -1.25 -1.29 113.62 113.81 1wxn n SER 29 Ca -0.07 -2.62 -0.38 0.00 1.01 0.00 0.00 58.87 56.81 1wxn n SER 29 Cb 0.55 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1wxn n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxn s ARG 31 N -1.14 3.35 0.37 0.00 3.00 -1.26 0.54 118.95 123.81 1wxn s ARG 31 Ca 0.25 0.14 -0.05 0.00 -1.00 0.00 0.00 55.73 55.07 1wxn s ARG 31 Cb -0.17 -4.10 -0.05 0.00 0.00 0.00 0.00 34.95 30.64 1wxn s ARG 31 CO 0.14 -1.91 0.64 -0.47 0.00 0.00 0.00 175.30 173.71 1wxn s TYR 32 N 5.51 3.50 0.31 5.12 5.04 0.17 -4.91 117.35 132.09 1wxn s TYR 32 Ca 0.43 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.78 1wxn s TYR 32 Cb -0.08 -2.16 0.79 0.00 0.35 0.00 0.00 41.96 40.86 1wxn s TYR 32 CO 0.22 0.00 1.59 0.74 -1.34 0.00 0.00 175.55 176.77 1wxn h PHE 33 N 1.05 0.14 0.00 4.97 0.04 -2.00 0.60 116.94 121.74 1wxn h PHE 33 Ca -0.48 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1wxn h PHE 33 Cb 1.20 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1wxn h PHE 33 CO 0.57 -0.37 -0.91 1.28 -0.60 0.00 0.00 178.31 178.28 1wxn n LEU 34 N -5.39 0.76 0.00 1.54 7.99 -1.26 -5.04 117.00 115.60 1wxn n LEU 34 Ca 0.24 0.24 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 1wxn n LEU 34 Cb 0.78 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 1wxn n LEU 34 CO -0.02 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.36 1wxn n GLY 35 N 1.26 -0.52 3.27 -0.72 0.00 0.20 -3.86 105.19 104.81 1wxn n GLY 35 Ca 0.01 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 3.89 -0.79 2.61 2.01 0.12 0.43 115.64 123.90 1wxn s THR 36 Ca 0.00 -1.18 -0.26 0.00 0.31 0.00 0.00 61.69 60.56 1wxn s THR 36 Cb 0.00 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.31 1wxn s THR 36 CO 0.00 -0.25 1.29 0.00 -0.69 0.00 0.00 174.62 174.97 1wxn s THR 39 N 2.51 2.24 0.00 0.00 -4.23 -0.41 -1.22 115.64 114.53 1wxn s THR 39 Ca 0.15 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1wxn s THR 39 Cb -0.18 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1wxn s THR 39 CO 0.13 0.16 0.00 -0.81 -0.54 0.00 0.00 174.62 173.57 1wxn n PRO 40 N 4.52 0.00 -2.68 3.99 -0.04 -1.15 0.23 135.00 139.87 1wxn n PRO 40 Ca -0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.24 1wxn n PRO 40 Cb 0.45 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.54 -0.51 0.55 0.00 -0.63 -3.02 120.51 114.44 1wxn n ALA 41 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1wxn n ALA 41 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03