#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 3.80 -2.44 2.61 -2.24 -1.26 -4.96 114.28 109.79 1wxn n THR 2 Ca 0.00 -3.62 -0.41 0.00 -2.27 0.00 0.00 64.05 57.74 1wxn n THR 2 Cb 0.00 -2.50 -0.03 0.00 -2.10 0.00 0.00 70.33 65.70 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 2.50 3.40 0.06 6.98 0.00 -1.26 -1.40 121.76 132.04 1wxn s ALA 3 Ca 0.46 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1wxn s ALA 3 Cb 0.11 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1wxn s ALA 3 CO -0.04 -0.34 -0.10 0.00 0.00 0.00 0.00 175.76 175.28 1wxn s SER 5 N -1.86 1.39 -0.58 0.00 0.01 -1.26 -1.18 113.70 110.23 1wxn s SER 5 Ca -0.04 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1wxn s SER 5 Cb -0.08 -0.36 0.14 0.00 0.21 0.00 0.00 66.02 65.94 1wxn s SER 5 CO 0.01 0.09 0.34 0.00 0.41 0.00 0.00 173.24 174.08 1wxn n GLY 7 N 3.00 1.50 0.37 0.00 0.00 -1.26 -1.50 105.19 107.30 1wxn n GLY 7 Ca 0.08 0.03 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 10.63 1.68 -4.70 1.61 6.94 -1.26 -4.92 115.26 125.25 1wxn n ASN 8 Ca 0.00 -1.34 -0.41 0.00 -0.02 0.00 0.00 54.58 52.80 1wxn n ASN 8 Cb 0.00 0.54 -0.04 0.00 -2.36 0.00 0.00 39.78 37.92 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1wxn s SER 9 N -2.22 7.13 0.02 0.53 0.15 -0.56 -4.98 113.70 113.77 1wxn s SER 9 Ca 0.14 1.38 0.03 0.00 0.70 0.00 0.00 55.95 58.20 1wxn s SER 9 Cb 0.15 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1wxn s SER 9 CO 0.51 -0.30 -0.10 -0.54 1.20 0.00 0.00 173.24 174.02 1wxn s LYS 10 N 1.47 0.69 0.00 5.44 1.02 -1.20 0.33 119.74 127.49 1wxn s LYS 10 Ca 0.44 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1wxn s LYS 10 Cb -0.18 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 1wxn s LYS 10 CO 0.19 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1wxn n GLY 11 N 2.24 1.07 3.11 -3.33 0.00 -0.32 -0.57 105.19 107.38 1wxn n GLY 11 Ca -0.17 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.35 1.35 -0.05 -0.61 -1.09 -0.41 -1.17 121.20 120.57 1wxn s ILE 12 Ca 0.00 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 1wxn s ILE 12 Cb 0.00 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 1wxn s ILE 12 CO 0.00 0.39 0.14 -0.72 -1.23 0.00 0.00 174.94 173.52 1wxn s TYR 13 N 0.09 3.49 -0.09 3.97 1.13 -0.49 -0.80 117.35 124.64 1wxn s TYR 13 Ca -0.05 0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.97 1wxn s TYR 13 Cb -0.11 -1.84 -0.03 0.00 -1.10 0.00 0.00 41.96 38.87 1wxn s TYR 13 CO 0.02 0.65 -0.04 -1.58 -2.51 0.00 0.00 175.55 172.09 1wxn s TRP 14 N -1.19 3.03 -0.16 -3.49 0.52 0.81 -4.87 118.94 113.60 1wxn s TRP 14 Ca 0.22 -0.00 -0.29 0.00 0.02 0.00 0.00 56.10 56.04 1wxn s TRP 14 Cb -0.12 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1wxn s TRP 14 CO 0.12 0.28 1.09 -0.06 0.02 0.00 0.00 176.95 178.41 1wxn s PHE 15 N -0.54 3.28 -0.91 -1.98 0.08 -1.26 -0.64 117.98 116.00 1wxn s PHE 15 Ca 0.09 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.52 1wxn s PHE 15 Cb -0.12 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1wxn s PHE 15 CO 0.02 -0.74 0.00 2.48 -0.10 0.00 0.00 175.22 176.89 1wxn n TYR 16 N 5.86 -0.66 -3.36 0.36 0.18 -0.30 -4.91 117.16 114.34 1wxn n TYR 16 Ca 0.11 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.44 1wxn n TYR 16 Cb 0.47 -2.05 -0.07 0.00 -0.38 0.00 0.00 39.34 37.31 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wxn s ARG 17 N -2.90 2.98 -0.33 -3.48 1.81 -1.21 -4.95 118.95 110.87 1wxn s ARG 17 Ca 0.00 -1.47 -0.01 0.00 -1.72 0.00 0.00 55.73 52.53 1wxn s ARG 17 Cb 0.00 -4.19 0.23 0.00 -0.45 0.00 0.00 34.95 30.54 1wxn s ARG 17 CO 0.00 -1.14 1.99 -0.35 -0.68 0.00 0.00 175.30 175.12 1wxn n PRO 18 N 5.23 1.83 -3.64 3.54 -0.04 -1.26 -3.94 135.00 136.72 1wxn n PRO 18 Ca -0.13 -1.64 -0.06 0.00 -0.04 0.00 0.00 63.50 61.64 1wxn n PRO 18 Cb 0.42 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1wxn n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wxn s SER 19 N 0.07 -0.58 -0.24 3.54 0.15 -1.26 -5.13 113.70 110.26 1wxn s SER 19 Ca 0.32 1.19 -0.17 0.00 0.70 0.00 0.00 55.95 57.99 1wxn s SER 19 Cb 0.25 1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 66.23 1wxn s SER 19 CO -0.00 -0.23 0.48 0.00 1.20 0.00 0.00 173.24 174.69 1wxn n PRO 21 N 5.26 2.03 0.00 0.00 -0.02 -1.26 -4.84 135.00 136.17 1wxn n PRO 21 Ca -0.05 0.73 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1wxn n PRO 21 Cb 0.50 -2.62 0.65 0.00 -0.02 0.00 0.00 33.50 32.01 1wxn n PRO 21 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1wxn n THR 22 N 5.37 0.00 0.04 3.45 -1.04 -1.26 -3.52 114.28 117.32 1wxn n THR 22 Ca 0.24 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 1wxn n THR 22 Cb 0.28 -0.41 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 1wxn n THR 22 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1wxn h ASP 23 N 0.00 0.46 -0.89 8.00 3.32 -1.98 -3.33 116.42 121.99 1wxn h ASP 23 Ca 0.00 -0.94 -0.60 0.00 0.02 0.00 0.00 57.03 55.51 1wxn h ASP 23 Cb 0.00 -0.15 -0.26 0.00 0.22 0.00 0.00 39.33 39.14 1wxn h ASP 23 CO 0.00 1.37 0.77 -1.14 -1.72 0.00 0.00 179.24 178.52 1wxn n ARG 24 N -4.14 2.48 -3.61 3.56 0.63 -1.23 -4.90 116.66 109.45 1wxn n ARG 24 Ca -0.14 -2.92 -0.26 0.00 -0.92 0.00 0.00 57.85 53.61 1wxn n ARG 24 Cb 0.81 -2.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.55 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wxn n GLY 25 N -0.68 -0.47 3.66 5.14 0.00 -1.25 -4.84 105.19 106.74 1wxn n GLY 25 Ca 0.56 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 1wxn n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wxn s TYR 26 N -2.95 1.44 -0.15 1.61 2.02 -1.26 -4.47 117.35 113.60 1wxn s TYR 26 Ca 0.49 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1wxn s TYR 26 Cb -0.27 -4.16 -0.24 0.00 -0.40 0.00 0.00 41.96 36.90 1wxn s TYR 26 CO 0.60 -5.09 0.25 2.41 -1.57 0.00 0.00 175.55 172.15 1wxn n THR 27 N 5.66 1.71 -4.26 -0.71 -1.04 -0.12 -4.84 114.28 110.67 1wxn n THR 27 Ca 0.20 -0.65 -0.27 0.00 -2.04 0.00 0.00 64.05 61.29 1wxn n THR 27 Cb 0.42 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.23 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 -5.76 1.74 -0.23 3.41 0.00 0.14 -4.95 107.32 101.67 1wxn s GLY 28 Ca -0.24 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.02 1wxn s GLY 28 CO 0.74 -1.43 0.11 -0.45 0.00 0.00 0.00 173.10 172.07 1wxn s SER 29 N -2.78 2.87 0.23 1.64 0.15 -1.25 -0.94 113.70 113.62 1wxn s SER 29 Ca 0.25 -0.92 0.10 0.00 0.70 0.00 0.00 55.95 56.08 1wxn s SER 29 Cb -0.09 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1wxn s SER 29 CO 0.16 -0.39 -0.09 0.00 1.20 0.00 0.00 173.24 174.12 1wxn s ARG 31 N -3.23 4.20 0.18 0.00 6.06 -1.26 0.56 118.95 125.45 1wxn s ARG 31 Ca 0.28 0.38 0.07 0.00 -2.50 0.00 0.00 55.73 53.96 1wxn s ARG 31 Cb -0.07 -3.55 -0.04 0.00 0.06 0.00 0.00 34.95 31.35 1wxn s ARG 31 CO 0.17 -0.11 0.01 -0.47 -2.50 0.00 0.00 175.30 172.39 1wxn s TYR 32 N 1.52 2.85 0.31 5.12 6.14 0.17 -4.88 117.35 128.60 1wxn s TYR 32 Ca 0.23 -0.14 0.09 0.00 0.64 0.00 0.00 57.07 57.89 1wxn s TYR 32 Cb -0.15 -1.37 0.88 0.00 0.42 0.00 0.00 41.96 41.74 1wxn s TYR 32 CO 0.09 0.52 1.69 0.35 0.64 0.00 0.00 175.55 178.85 1wxn h PHE 33 N 2.62 0.82 0.00 4.97 3.57 -2.00 -0.25 116.94 126.67 1wxn h PHE 33 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1wxn h PHE 33 Cb 1.21 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1wxn h PHE 33 CO 0.62 -0.06 -0.74 -0.07 -2.23 0.00 0.00 178.31 175.83 1wxn h LEU 34 N 0.42 0.00 0.00 0.59 -0.00 -1.95 -3.49 115.31 110.88 1wxn h LEU 34 Ca 0.64 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 1wxn h LEU 34 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1wxn h LEU 34 CO -0.55 0.10 0.00 0.61 -0.00 0.00 0.00 178.44 178.61 1wxn n GLY 35 N 1.32 -0.77 3.21 0.83 0.00 -0.10 -1.15 105.19 108.53 1wxn n GLY 35 Ca 0.03 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.33 2.44 -0.55 2.61 2.01 0.18 0.44 115.64 119.45 1wxn s THR 36 Ca 0.00 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 1wxn s THR 36 Cb 0.00 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1wxn s THR 36 CO 0.00 0.52 1.12 0.00 -0.69 0.00 0.00 174.62 175.57 1wxn s THR 39 N 1.84 2.18 0.00 0.00 -4.23 -0.11 -1.29 115.64 114.03 1wxn s THR 39 Ca 0.06 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1wxn s THR 39 Cb -0.23 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1wxn s THR 39 CO 0.08 0.31 0.00 -0.81 -0.54 0.00 0.00 174.62 173.66 1wxn n PRO 40 N 4.56 0.00 -2.39 3.99 -0.04 -1.01 0.28 135.00 140.39 1wxn n PRO 40 Ca -0.18 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 1wxn n PRO 40 Cb 0.47 0.00 0.08 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 2.94 1.56 0.55 0.00 -0.58 -3.27 120.51 118.71 1wxn n ALA 41 Ca 0.00 -1.40 0.14 0.00 0.00 0.00 0.00 53.44 52.18 1wxn n ALA 41 Cb 0.00 -0.76 0.58 0.00 0.00 0.00 0.00 19.45 19.27 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03