#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 3.99 -2.11 2.61 -1.04 -1.26 -4.95 114.28 111.52 1wxn n THR 2 Ca 0.00 -2.66 -0.41 0.00 -2.04 0.00 0.00 64.05 58.94 1wxn n THR 2 Cb 0.00 -2.60 -0.02 0.00 -1.82 0.00 0.00 70.33 65.89 1wxn n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wxn s ALA 3 N 2.54 3.52 0.18 2.41 0.00 -1.26 -1.03 121.76 128.12 1wxn s ALA 3 Ca 0.62 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.76 1wxn s ALA 3 Cb 0.17 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1wxn s ALA 3 CO -0.07 -0.65 0.28 0.00 0.00 0.00 0.00 175.76 175.33 1wxn s SER 5 N -3.01 -0.18 -0.41 0.00 0.15 -1.26 -0.77 113.70 108.23 1wxn s SER 5 Ca 0.22 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.17 1wxn s SER 5 Cb 0.03 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.86 1wxn s SER 5 CO 0.03 -0.19 0.17 0.00 1.20 0.00 0.00 173.24 174.46 1wxn n GLY 7 N 3.88 1.50 0.00 0.00 0.00 -1.26 -1.45 105.19 107.87 1wxn n GLY 7 Ca 0.04 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1wxn n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wxn n ASN 8 N 8.96 0.85 -4.73 1.61 0.23 -1.26 -4.96 115.26 115.95 1wxn n ASN 8 Ca 0.00 -0.56 -0.41 0.00 -0.53 0.00 0.00 54.58 53.08 1wxn n ASN 8 Cb 0.00 1.31 -0.04 0.00 -2.08 0.00 0.00 39.78 38.97 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1wxn s SER 9 N -3.19 7.43 0.01 0.53 0.01 -0.53 -5.01 113.70 112.96 1wxn s SER 9 Ca 0.02 1.88 0.04 0.00 1.31 0.00 0.00 55.95 59.19 1wxn s SER 9 Cb 0.13 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1wxn s SER 9 CO 0.73 -0.11 -0.11 -0.54 0.41 0.00 0.00 173.24 173.61 1wxn s LYS 10 N -0.08 0.86 0.00 12.44 1.02 -1.18 0.03 119.74 132.83 1wxn s LYS 10 Ca 0.48 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1wxn s LYS 10 Cb -0.25 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1wxn s LYS 10 CO 0.31 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1wxn n GLY 11 N 2.49 1.41 3.18 -3.33 0.00 0.05 -1.01 105.19 107.99 1wxn n GLY 11 Ca -0.15 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 0.99 1.68 -0.15 -0.61 -1.09 -0.02 -0.56 121.20 121.43 1wxn s ILE 12 Ca 0.00 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1wxn s ILE 12 Cb 0.00 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.41 1wxn s ILE 12 CO 0.00 0.47 0.05 -0.72 -1.23 0.00 0.00 174.94 173.52 1wxn s TYR 13 N -0.01 3.26 0.46 3.97 1.13 -0.20 -1.10 117.35 124.86 1wxn s TYR 13 Ca -0.05 0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.74 1wxn s TYR 13 Cb -0.13 -2.00 -0.00 0.00 -1.10 0.00 0.00 41.96 38.73 1wxn s TYR 13 CO 0.03 0.27 0.68 -1.58 -2.51 0.00 0.00 175.55 172.44 1wxn s TRP 14 N -0.04 3.19 -0.43 -3.49 0.52 0.13 -4.84 118.94 113.98 1wxn s TRP 14 Ca 0.06 0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.28 1wxn s TRP 14 Cb -0.12 -2.35 0.08 0.00 -1.15 0.00 0.00 33.47 29.93 1wxn s TRP 14 CO 0.01 -0.40 0.29 -0.06 0.02 0.00 0.00 176.95 176.81 1wxn s PHE 15 N -2.57 3.32 -0.82 -1.98 0.08 -1.26 -0.29 117.98 114.46 1wxn s PHE 15 Ca 0.49 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.11 1wxn s PHE 15 Cb -0.10 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1wxn s PHE 15 CO 0.38 -0.84 0.75 0.66 -0.10 0.00 0.00 175.22 176.07 1wxn n TYR 16 N 4.97 -2.84 -4.12 0.36 4.01 -0.76 -4.93 117.16 113.85 1wxn n TYR 16 Ca -0.10 1.06 -0.30 0.00 -0.16 0.00 0.00 57.90 58.40 1wxn n TYR 16 Cb 0.43 -4.09 -0.16 0.00 -0.31 0.00 0.00 39.34 35.20 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 -3.40 2.31 0.26 -0.72 0.52 -1.26 -5.01 118.95 111.66 1wxn s ARG 17 Ca 0.11 -0.57 0.18 0.00 -0.52 0.00 0.00 55.73 54.94 1wxn s ARG 17 Cb -0.02 -2.08 0.97 0.00 0.52 0.00 0.00 34.95 34.34 1wxn s ARG 17 CO 0.75 -0.20 1.56 -2.30 0.02 0.00 0.00 175.30 175.13 1wxn n PRO 18 N 4.65 0.12 -3.98 3.54 -0.02 -1.26 -4.61 135.00 133.44 1wxn n PRO 18 Ca -0.17 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1wxn n PRO 18 Cb 0.50 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 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 -3.87 0.29 -0.33 2.55 1.04 -1.26 -5.13 113.70 106.99 1wxn s SER 19 Ca -0.01 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 1wxn s SER 19 Cb 0.06 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1wxn s SER 19 CO 0.18 -0.11 0.49 0.00 0.98 0.00 0.00 173.24 174.78 1wxn s PRO 21 N 2.32 2.32 0.00 0.00 0.02 -1.26 -4.80 135.00 133.59 1wxn s PRO 21 Ca 0.18 0.82 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1wxn s PRO 21 Cb -0.16 -4.57 0.00 0.00 0.02 0.00 0.00 34.50 29.80 1wxn s PRO 21 CO 0.12 -3.17 0.63 0.25 -0.33 0.00 0.00 177.00 174.50 1wxn n THR 22 N 7.73 0.00 0.75 0.99 -2.24 -1.26 -3.09 114.28 117.16 1wxn n THR 22 Ca 0.31 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.22 1wxn n THR 22 Cb 0.52 -0.34 0.49 0.00 -2.10 0.00 0.00 70.33 68.90 1wxn n THR 22 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wxn n ASP 23 N -0.14 0.45 -1.51 3.42 2.03 -1.26 -3.08 116.55 116.46 1wxn n ASP 23 Ca 0.00 0.55 -0.07 0.00 0.52 0.00 0.00 54.79 55.79 1wxn n ASP 23 Cb 0.16 -0.67 0.22 0.00 -0.72 0.00 0.00 41.12 40.12 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wxn n ARG 24 N -1.93 2.39 -1.23 -0.67 5.12 -1.18 -4.93 116.66 114.23 1wxn n ARG 24 Ca 0.06 -3.08 -0.08 0.00 -1.93 0.00 0.00 57.85 52.82 1wxn n ARG 24 Cb 0.37 -1.97 -0.03 0.00 -1.16 0.00 0.00 32.46 29.67 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wxn n GLY 25 N -0.89 0.80 3.65 -0.13 0.00 -1.18 -4.90 105.19 102.55 1wxn n GLY 25 Ca 0.39 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.25 2.02 -0.12 1.61 4.01 -1.26 -4.62 117.16 116.56 1wxn n TYR 26 Ca -0.08 0.44 -0.24 0.00 -0.16 0.00 0.00 57.90 57.86 1wxn n TYR 26 Cb 0.52 -2.44 -0.10 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 2.24 1.53 -4.17 -0.72 -1.04 -0.18 -4.83 114.28 107.11 1wxn n THR 27 Ca 0.14 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 1wxn n THR 27 Cb 0.29 -1.99 -0.08 0.00 -1.82 0.00 0.00 70.33 66.73 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 -5.11 1.96 -0.48 3.41 0.00 0.12 -4.93 107.32 102.29 1wxn s GLY 28 Ca -0.33 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1wxn s GLY 28 CO 0.53 -0.76 0.28 -1.35 0.00 0.00 0.00 173.10 171.80 1wxn s SER 29 N -1.64 3.69 -0.13 1.64 1.04 -1.26 -0.48 113.70 116.57 1wxn s SER 29 Ca 0.21 -2.85 -0.06 0.00 0.48 0.00 0.00 55.95 53.73 1wxn s SER 29 Cb -0.12 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 1wxn s SER 29 CO 0.12 -0.23 0.07 0.00 0.98 0.00 0.00 173.24 174.17 1wxn s ARG 31 N -0.46 3.96 0.21 0.00 3.00 -1.26 0.60 118.95 125.00 1wxn s ARG 31 Ca 0.10 1.04 0.05 0.00 -1.00 0.00 0.00 55.73 55.92 1wxn s ARG 31 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 34.95 30.99 1wxn s ARG 31 CO 0.02 -1.05 0.27 -0.47 0.00 0.00 0.00 175.30 174.07 1wxn s TYR 32 N 4.00 3.33 0.30 5.12 5.04 0.17 -4.88 117.35 130.44 1wxn s TYR 32 Ca 0.49 -0.01 0.06 0.00 -2.44 0.00 0.00 57.07 55.17 1wxn s TYR 32 Cb -0.13 -1.54 0.78 0.00 0.35 0.00 0.00 41.96 41.42 1wxn s TYR 32 CO 0.20 0.49 1.74 0.35 -1.34 0.00 0.00 175.55 176.99 1wxn h PHE 33 N 1.65 0.93 0.00 4.97 3.57 -1.98 0.44 116.94 126.51 1wxn h PHE 33 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1wxn h PHE 33 Cb 1.22 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1wxn h PHE 33 CO 0.51 0.10 -0.82 1.28 -2.23 0.00 0.00 178.31 177.14 1wxn n LEU 34 N -4.89 0.63 0.00 0.59 7.99 -1.26 -5.02 117.00 115.05 1wxn n LEU 34 Ca 0.24 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1wxn n LEU 34 Cb 0.65 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1wxn n LEU 34 CO 0.17 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 1wxn n GLY 35 N 1.38 -0.62 3.24 -0.72 0.00 0.14 -1.84 105.19 106.78 1wxn n GLY 35 Ca 0.03 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.48 3.84 -0.79 2.61 2.01 0.60 0.44 115.64 122.88 1wxn s THR 36 Ca 0.00 -1.44 -0.26 0.00 0.31 0.00 0.00 61.69 60.30 1wxn s THR 36 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.21 1wxn s THR 36 CO 0.00 -0.42 1.30 0.00 -0.69 0.00 0.00 174.62 174.81 1wxn s THR 39 N 1.68 1.52 0.00 0.00 -4.23 0.37 -0.84 115.64 114.14 1wxn s THR 39 Ca 0.05 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1wxn s THR 39 Cb -0.17 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1wxn s THR 39 CO 0.09 -0.03 0.00 -0.81 -0.54 0.00 0.00 174.62 173.33 1wxn n PRO 40 N 4.69 0.00 -1.48 3.99 -0.04 -1.08 0.12 135.00 141.20 1wxn n PRO 40 Ca -0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 1wxn n PRO 40 Cb 0.45 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 3.40 1.73 0.55 0.00 -0.64 -3.13 120.51 119.41 1wxn n ALA 41 Ca 0.00 -1.00 0.15 0.00 0.00 0.00 0.00 53.44 52.59 1wxn n ALA 41 Cb 0.00 -0.50 0.72 0.00 0.00 0.00 0.00 19.45 19.67 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03