#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 3.42 -2.64 2.61 -2.24 -1.26 -4.95 114.28 109.22 1wxn n THR 2 Ca 0.00 -2.97 -0.41 0.00 -2.27 0.00 0.00 64.05 58.40 1wxn n THR 2 Cb 0.00 -2.60 -0.05 0.00 -2.10 0.00 0.00 70.33 65.58 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 3.23 3.33 0.05 6.98 0.00 -1.26 -1.26 121.76 132.84 1wxn s ALA 3 Ca 0.47 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 1wxn s ALA 3 Cb 0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1wxn s ALA 3 CO -0.08 -0.02 0.02 0.00 0.00 0.00 0.00 175.76 175.67 1wxn s SER 5 N -2.64 -0.08 -0.03 0.00 1.04 -1.26 -0.24 113.70 110.49 1wxn s SER 5 Ca 0.02 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.70 1wxn s SER 5 Cb 0.04 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1wxn s SER 5 CO -0.08 -0.11 -0.06 0.00 0.98 0.00 0.00 173.24 173.97 1wxn n GLY 7 N 3.72 1.02 0.00 0.00 0.00 -1.26 -1.60 105.19 107.07 1wxn n GLY 7 Ca -0.22 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wxn n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxn n ASN 8 N 8.54 1.02 -4.58 1.61 4.13 -1.26 -5.06 115.26 119.66 1wxn n ASN 8 Ca 0.00 -1.50 -0.34 0.00 1.68 0.00 0.00 54.58 54.42 1wxn n ASN 8 Cb 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wxn s SER 9 N -0.50 4.76 -0.06 6.41 1.04 -0.62 -5.02 113.70 119.70 1wxn s SER 9 Ca 0.00 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1wxn s SER 9 Cb 0.00 -1.32 -0.02 0.00 0.10 0.00 0.00 66.02 64.78 1wxn s SER 9 CO 0.00 0.33 -0.19 -0.54 0.98 0.00 0.00 173.24 173.82 1wxn s LYS 10 N -0.62 2.60 0.00 4.02 1.02 -1.18 -1.30 119.74 124.28 1wxn s LYS 10 Ca 0.09 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1wxn s LYS 10 Cb -0.12 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1wxn s LYS 10 CO 0.02 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1wxn n GLY 11 N 2.73 2.29 3.10 -3.33 0.00 0.67 -0.62 105.19 110.03 1wxn n GLY 11 Ca -0.17 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 0.10 1.42 -0.03 -0.61 -1.09 0.12 -0.25 121.20 120.86 1wxn s ILE 12 Ca 0.00 -0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 57.62 1wxn s ILE 12 Cb 0.00 -1.25 -0.05 0.00 -1.58 0.00 0.00 42.46 39.58 1wxn s ILE 12 CO 0.00 0.41 0.35 -0.72 -1.23 0.00 0.00 174.94 173.75 1wxn s TYR 13 N 0.36 3.70 0.09 3.97 1.13 -0.39 -0.96 117.35 125.25 1wxn s TYR 13 Ca -0.11 0.88 0.04 0.00 -1.41 0.00 0.00 57.07 56.47 1wxn s TYR 13 Cb -0.15 -2.21 -0.04 0.00 -1.10 0.00 0.00 41.96 38.46 1wxn s TYR 13 CO 0.04 0.66 0.06 -1.58 -2.51 0.00 0.00 175.55 172.22 1wxn s TRP 14 N -1.03 3.14 -0.85 -3.49 0.52 1.00 -4.86 118.94 113.37 1wxn s TRP 14 Ca 0.22 0.05 -0.25 0.00 0.02 0.00 0.00 56.10 56.13 1wxn s TRP 14 Cb -0.16 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1wxn s TRP 14 CO 0.11 0.51 1.34 -0.06 0.02 0.00 0.00 176.95 178.87 1wxn s PHE 15 N -1.39 2.38 -0.48 -1.98 0.08 -1.26 -0.32 117.98 115.01 1wxn s PHE 15 Ca 0.29 -0.37 -0.23 0.00 0.12 0.00 0.00 56.93 56.74 1wxn s PHE 15 Cb -0.12 -4.65 0.03 0.00 -0.57 0.00 0.00 43.02 37.71 1wxn s PHE 15 CO 0.21 -2.02 0.63 0.66 -0.10 0.00 0.00 175.22 174.61 1wxn n TYR 16 N 9.16 -3.08 -4.19 0.36 4.01 -0.46 -4.91 117.16 118.05 1wxn n TYR 16 Ca 0.15 1.25 -0.34 0.00 -0.16 0.00 0.00 57.90 58.80 1wxn n TYR 16 Cb 0.50 -3.17 -0.15 0.00 -0.31 0.00 0.00 39.34 36.21 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 -2.72 3.18 0.15 -0.72 1.81 -1.26 -4.97 118.95 114.42 1wxn s ARG 17 Ca 0.27 -0.74 0.13 0.00 -1.72 0.00 0.00 55.73 53.66 1wxn s ARG 17 Cb -0.05 -2.72 0.64 0.00 -0.45 0.00 0.00 34.95 32.38 1wxn s ARG 17 CO 0.82 -0.13 1.40 -2.30 -0.68 0.00 0.00 175.30 174.40 1wxn n PRO 18 N 4.49 0.08 -3.79 3.54 -0.02 -1.26 -4.58 135.00 133.47 1wxn n PRO 18 Ca -0.20 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 1wxn n PRO 18 Cb 0.51 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1wxn n PRO 18 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wxn s SER 19 N -3.55 -0.21 -0.27 2.55 0.01 -1.26 -5.14 113.70 105.83 1wxn s SER 19 Ca 0.01 0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.44 1wxn s SER 19 Cb 0.05 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 1wxn s SER 19 CO 0.16 -0.25 0.19 0.00 0.41 0.00 0.00 173.24 173.75 1wxn s PRO 21 N 1.60 2.60 0.00 0.00 0.04 -1.26 -4.74 135.00 133.23 1wxn s PRO 21 Ca 0.07 -0.54 0.25 0.00 0.04 0.00 0.00 61.00 60.82 1wxn s PRO 21 Cb -0.15 -5.12 1.13 0.00 0.04 0.00 0.00 34.50 30.39 1wxn s PRO 21 CO 0.09 -3.46 1.82 0.25 0.04 0.00 0.00 177.00 175.74 1wxn n THR 22 N 7.81 0.26 0.83 1.26 -2.24 -1.26 -1.91 114.28 119.02 1wxn n THR 22 Ca 0.41 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.39 1wxn n THR 22 Cb 0.47 -0.64 0.53 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.44 0.29 -1.97 3.42 2.03 -1.26 -3.16 116.55 114.45 1wxn n ASP 23 Ca 0.08 0.53 -0.20 0.00 0.52 0.00 0.00 54.79 55.71 1wxn n ASP 23 Cb 0.27 -0.61 0.11 0.00 -0.72 0.00 0.00 41.12 40.17 1wxn n ASP 23 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1wxn n ARG 24 N -1.78 2.03 0.00 -0.67 0.00 -0.80 -4.84 116.66 110.60 1wxn n ARG 24 Ca 0.06 -2.27 0.00 0.00 -0.00 0.00 0.00 57.85 55.65 1wxn n ARG 24 Cb 0.36 -1.89 0.00 0.00 0.00 0.00 0.00 32.46 30.93 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 -0.55 2.74 3.70 5.14 0.00 -1.19 -4.99 105.19 110.05 1wxn n GLY 25 Ca 0.44 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.63 -0.10 1.61 4.01 -1.25 -4.45 117.16 119.61 1wxn n TYR 26 Ca 0.00 0.07 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 1wxn n TYR 26 Cb 0.00 -2.65 -0.09 0.00 -0.31 0.00 0.00 39.34 36.29 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 3.93 1.15 -4.22 -0.72 -1.04 -0.46 -4.34 114.28 108.58 1wxn n THR 27 Ca 0.17 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.44 1wxn n THR 27 Cb 0.34 -1.22 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 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 -5.93 1.84 -0.44 3.41 0.00 0.10 -4.94 107.32 101.36 1wxn s GLY 28 Ca -0.27 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1wxn s GLY 28 CO 0.46 -1.12 0.23 -1.35 0.00 0.00 0.00 173.10 171.32 1wxn s SER 29 N -2.13 3.81 0.04 1.64 1.04 -1.26 -0.05 113.70 116.79 1wxn s SER 29 Ca 0.22 -2.60 -0.07 0.00 0.48 0.00 0.00 55.95 53.98 1wxn s SER 29 Cb -0.11 -1.13 -0.05 0.00 0.10 0.00 0.00 66.02 64.82 1wxn s SER 29 CO 0.15 -0.27 0.32 0.00 0.98 0.00 0.00 173.24 174.41 1wxn s ARG 31 N -1.86 4.33 0.16 0.00 3.00 -1.26 0.67 118.95 123.99 1wxn s ARG 31 Ca 0.30 1.15 0.06 0.00 -1.00 0.00 0.00 55.73 56.24 1wxn s ARG 31 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 34.95 31.21 1wxn s ARG 31 CO 0.17 -0.34 0.05 -0.47 0.00 0.00 0.00 175.30 174.71 1wxn s TYR 32 N 2.18 2.97 0.33 5.12 5.04 0.14 -4.84 117.35 128.29 1wxn s TYR 32 Ca 0.42 -0.08 0.11 0.00 -2.44 0.00 0.00 57.07 55.07 1wxn s TYR 32 Cb -0.17 -1.44 0.91 0.00 0.35 0.00 0.00 41.96 41.61 1wxn s TYR 32 CO 0.13 0.52 1.74 0.74 -1.34 0.00 0.00 175.55 177.34 1wxn h PHE 33 N 2.63 0.96 -0.02 4.97 0.04 -1.98 0.83 116.94 124.37 1wxn h PHE 33 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1wxn h PHE 33 Cb 1.20 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1wxn h PHE 33 CO 0.61 0.09 -0.16 1.28 -0.60 0.00 0.00 178.31 179.52 1wxn n LEU 34 N -4.82 1.91 0.00 1.54 7.99 -1.26 -5.00 117.00 117.36 1wxn n LEU 34 Ca 0.26 -0.64 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 1wxn n LEU 34 Cb 0.75 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 44.03 1wxn n LEU 34 CO 0.19 0.33 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1wxn n GLY 35 N 1.31 -0.45 3.19 -0.72 0.00 0.28 -1.35 105.19 107.46 1wxn n GLY 35 Ca 0.14 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.04 -0.73 2.61 2.01 0.57 0.26 115.64 123.40 1wxn s THR 36 Ca 0.00 -1.24 -0.25 0.00 0.31 0.00 0.00 61.69 60.51 1wxn s THR 36 Cb 0.00 -2.68 0.05 0.00 0.01 0.00 0.00 72.50 69.88 1wxn s THR 36 CO 0.00 -0.02 1.16 0.00 -0.69 0.00 0.00 174.62 175.07 1wxn s THR 39 N 2.50 1.81 0.00 0.00 -4.23 0.93 -0.70 115.64 115.95 1wxn s THR 39 Ca 0.21 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1wxn s THR 39 Cb -0.15 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1wxn s THR 39 CO 0.13 0.21 0.00 -0.81 -0.54 0.00 0.00 174.62 173.61 1wxn n PRO 40 N 4.63 0.00 -2.76 3.99 -0.04 -1.03 0.00 135.00 139.80 1wxn n PRO 40 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1wxn n PRO 40 Cb 0.46 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.11 1.79 0.55 0.00 -0.66 -3.11 120.51 116.19 1wxn n ALA 41 Ca 0.00 -1.64 0.15 0.00 0.00 0.00 0.00 53.44 51.95 1wxn n ALA 41 Cb 0.00 -1.09 0.78 0.00 0.00 0.00 0.00 19.45 19.13 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03