#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 3.84 -2.12 2.61 -2.24 -1.26 -4.97 114.28 110.14 1wxn n THR 2 Ca 0.00 -3.76 -0.41 0.00 -2.27 0.00 0.00 64.05 57.61 1wxn n THR 2 Cb 0.00 -2.47 -0.02 0.00 -2.10 0.00 0.00 70.33 65.74 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 2.84 3.48 0.04 6.98 0.00 -1.26 -1.01 121.76 132.82 1wxn s ALA 3 Ca 0.47 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.60 1wxn s ALA 3 Cb 0.08 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1wxn s ALA 3 CO -0.01 -0.64 0.17 0.00 0.00 0.00 0.00 175.76 175.28 1wxn s SER 5 N -2.02 0.17 -0.65 0.00 0.15 -1.26 -0.54 113.70 109.54 1wxn s SER 5 Ca -0.06 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.54 1wxn s SER 5 Cb -0.02 -0.00 0.17 0.00 -1.71 0.00 0.00 66.02 64.46 1wxn s SER 5 CO -0.03 -0.03 0.46 0.00 1.20 0.00 0.00 173.24 174.83 1wxn n GLY 7 N 2.18 1.26 0.00 0.00 0.00 -1.26 -1.41 105.19 105.96 1wxn n GLY 7 Ca 0.20 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 6.16 0.72 -4.52 1.61 3.02 -1.26 -4.89 115.26 116.09 1wxn n ASN 8 Ca 0.00 -0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 53.42 1wxn n ASN 8 Cb 0.00 1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 40.17 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wxn s SER 9 N -2.23 6.35 -0.02 6.41 0.01 -0.50 -4.89 113.70 118.83 1wxn s SER 9 Ca 0.04 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.00 1wxn s SER 9 Cb 0.09 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1wxn s SER 9 CO 0.48 -0.90 -0.01 -0.54 0.41 0.00 0.00 173.24 172.68 1wxn s LYS 10 N 3.13 2.80 0.00 12.44 1.02 -1.06 0.28 119.74 138.36 1wxn s LYS 10 Ca 0.26 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1wxn s LYS 10 Cb -0.14 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1wxn s LYS 10 CO 0.20 0.64 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 1wxn n GLY 11 N 1.62 2.17 3.08 -3.33 0.00 0.30 -0.09 105.19 108.94 1wxn n GLY 11 Ca -0.16 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 0.35 1.12 -0.14 -0.61 -1.09 -0.16 -0.63 121.20 120.05 1wxn s ILE 12 Ca 0.00 -0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 57.71 1wxn s ILE 12 Cb 0.00 -0.96 -0.05 0.00 -1.58 0.00 0.00 42.46 39.88 1wxn s ILE 12 CO 0.00 0.33 0.33 -0.72 -1.23 0.00 0.00 174.94 173.64 1wxn s TYR 13 N -0.05 3.49 -0.02 3.97 -0.85 -0.18 -0.76 117.35 122.95 1wxn s TYR 13 Ca -0.00 0.67 -0.05 0.00 -0.52 0.00 0.00 57.07 57.17 1wxn s TYR 13 Cb -0.08 -2.36 -0.04 0.00 0.38 0.00 0.00 41.96 39.85 1wxn s TYR 13 CO 0.01 0.27 0.22 -1.58 -1.52 0.00 0.00 175.55 172.94 1wxn s TRP 14 N 0.34 3.57 -0.68 -3.49 0.52 0.13 -4.76 118.94 114.57 1wxn s TRP 14 Ca 0.18 0.48 -0.27 0.00 0.02 0.00 0.00 56.10 56.51 1wxn s TRP 14 Cb -0.14 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1wxn s TRP 14 CO 0.06 0.65 1.35 -0.06 0.02 0.00 0.00 176.95 178.96 1wxn s PHE 15 N -1.27 2.25 -0.43 -1.98 0.08 -1.26 -0.21 117.98 115.15 1wxn s PHE 15 Ca 0.26 0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 1wxn s PHE 15 Cb -0.13 -4.52 0.01 0.00 -0.57 0.00 0.00 43.02 37.82 1wxn s PHE 15 CO 0.15 -2.03 0.55 0.66 -0.10 0.00 0.00 175.22 174.45 1wxn n TYR 16 N 9.68 -2.99 -3.29 0.36 4.01 -1.12 -4.93 117.16 118.87 1wxn n TYR 16 Ca 0.07 1.19 -0.25 0.00 -0.16 0.00 0.00 57.90 58.75 1wxn n TYR 16 Cb 0.49 -3.80 -0.08 0.00 -0.31 0.00 0.00 39.34 35.65 1wxn n TYR 16 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1wxn n ARG 17 N -0.60 1.02 0.29 -0.72 5.12 -1.26 -4.96 116.66 115.54 1wxn n ARG 17 Ca 0.08 -3.54 0.17 0.00 -1.93 0.00 0.00 57.85 52.64 1wxn n ARG 17 Cb 0.42 -1.52 0.85 0.00 -1.16 0.00 0.00 32.46 31.06 1wxn n ARG 17 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1wxn h PRO 18 N 4.32 0.00 -3.02 5.56 0.11 -1.96 -2.93 132.00 134.09 1wxn h PRO 18 Ca 0.13 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.62 1wxn h PRO 18 Cb 0.84 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.55 1wxn h PRO 18 CO 0.53 0.00 -0.72 0.45 -0.21 0.00 0.00 178.00 178.05 1wxn s SER 19 N -4.76 3.74 0.13 -2.05 0.15 -1.26 -5.11 113.70 104.54 1wxn s SER 19 Ca -0.04 -2.88 -0.31 0.00 0.70 0.00 0.00 55.95 53.42 1wxn s SER 19 Cb 0.11 -1.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.17 1wxn s SER 19 CO 0.36 -0.23 1.48 0.00 1.20 0.00 0.00 173.24 176.05 1wxn s PRO 21 N 1.21 2.94 -1.09 0.00 0.04 -1.26 -4.93 135.00 131.92 1wxn s PRO 21 Ca 0.67 0.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.50 1wxn s PRO 21 Cb -0.40 -4.46 0.04 0.00 0.04 0.00 0.00 34.50 29.73 1wxn s PRO 21 CO 0.31 -2.50 1.57 -0.08 0.04 0.00 0.00 177.00 176.33 1wxn s THR 22 N 7.40 3.93 -0.02 1.26 -1.32 -1.26 -4.72 115.64 120.90 1wxn s THR 22 Ca 0.52 -1.03 0.11 0.00 -1.21 0.00 0.00 61.69 60.08 1wxn s THR 22 Cb -0.09 -5.01 -0.13 0.00 -1.51 0.00 0.00 72.50 65.76 1wxn s THR 22 CO 0.13 -1.87 1.17 -2.24 -2.21 0.00 0.00 174.62 169.60 1wxn h ASP 23 N 9.33 0.00 -0.41 8.08 2.03 -1.99 -3.37 116.42 130.09 1wxn h ASP 23 Ca 0.26 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.25 1wxn h ASP 23 Cb 0.97 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.14 1wxn h ASP 23 CO 1.42 0.80 -0.87 -2.11 -1.03 0.00 0.00 179.24 177.45 1wxn n ARG 24 N -3.20 2.22 -3.15 4.15 1.85 -1.26 -4.98 116.66 112.28 1wxn n ARG 24 Ca -0.03 -3.53 -0.14 0.00 -1.00 0.00 0.00 57.85 53.15 1wxn n ARG 24 Cb 0.89 -1.66 0.07 0.00 -1.05 0.00 0.00 32.46 30.70 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wxn n GLY 25 N -0.60 -0.74 3.65 2.89 0.00 -1.26 -4.87 105.19 104.26 1wxn n GLY 25 Ca 0.24 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.32 2.39 0.05 1.61 4.01 -1.26 -4.49 117.16 116.15 1wxn n TYR 26 Ca -0.13 -0.30 -0.19 0.00 -0.16 0.00 0.00 57.90 57.12 1wxn n TYR 26 Cb 0.62 -2.78 -0.14 0.00 -0.31 0.00 0.00 39.34 36.73 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 5.92 0.94 -2.95 -0.72 2.02 -1.27 -3.46 112.91 113.39 1wxn h THR 27 Ca -0.48 -2.59 -0.54 0.00 0.77 0.00 0.00 66.41 63.57 1wxn h THR 27 Cb 1.24 2.68 -0.16 0.00 -1.74 0.00 0.00 68.15 70.17 1wxn h THR 27 CO 0.95 0.82 -0.77 -0.83 0.37 0.00 0.00 175.52 176.06 1wxn s GLY 28 N -5.16 1.54 -0.47 2.16 0.00 0.13 -4.97 107.32 100.54 1wxn s GLY 28 Ca -0.14 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 42.98 1wxn s GLY 28 CO 0.83 -1.70 0.34 -0.56 0.00 0.00 0.00 173.10 172.02 1wxn s SER 29 N -3.01 2.72 0.47 1.64 0.01 -1.25 -0.92 113.70 113.36 1wxn s SER 29 Ca 0.21 -3.07 -0.09 0.00 1.31 0.00 0.00 55.95 54.31 1wxn s SER 29 Cb -0.05 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1wxn s SER 29 CO 0.09 -0.18 0.82 0.00 0.41 0.00 0.00 173.24 174.38 1wxn s ARG 31 N -4.37 4.20 0.20 0.00 6.06 -1.26 0.58 118.95 124.35 1wxn s ARG 31 Ca 0.51 0.61 0.07 0.00 -2.50 0.00 0.00 55.73 54.41 1wxn s ARG 31 Cb -0.10 -3.59 -0.04 0.00 0.06 0.00 0.00 34.95 31.28 1wxn s ARG 31 CO 0.39 -0.27 0.09 -0.47 -2.50 0.00 0.00 175.30 172.55 1wxn s TYR 32 N 2.01 3.00 0.28 5.12 6.14 0.13 -4.84 117.35 129.19 1wxn s TYR 32 Ca 0.28 -0.09 0.01 0.00 0.64 0.00 0.00 57.07 57.91 1wxn s TYR 32 Cb -0.16 -1.42 0.66 0.00 0.42 0.00 0.00 41.96 41.46 1wxn s TYR 32 CO 0.10 0.53 1.67 0.74 0.64 0.00 0.00 175.55 179.23 1wxn h PHE 33 N 2.26 0.41 -0.11 4.97 0.04 -1.99 -1.06 116.94 121.45 1wxn h PHE 33 Ca -0.47 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1wxn h PHE 33 Cb 1.21 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1wxn h PHE 33 CO 0.60 -0.14 0.00 1.28 -0.60 0.00 0.00 178.31 179.45 1wxn n LEU 34 N -5.16 3.01 0.00 1.54 7.99 -1.26 -5.05 117.00 118.07 1wxn n LEU 34 Ca 0.20 -1.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.07 1wxn n LEU 34 Cb 0.62 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1wxn n LEU 34 CO 0.09 0.55 0.00 0.61 -1.51 0.00 0.00 177.39 177.13 1wxn n GLY 35 N 1.31 -0.64 3.42 -0.72 0.00 -0.40 -2.79 105.19 105.37 1wxn n GLY 35 Ca 0.14 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 4.27 -0.81 2.61 2.01 0.70 0.20 115.64 120.63 1wxn s THR 36 Ca 0.00 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1wxn s THR 36 Cb 0.00 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.49 1wxn s THR 36 CO 0.00 0.23 1.26 0.00 -0.69 0.00 0.00 174.62 175.42 1wxn s THR 39 N 2.87 1.66 0.00 0.00 -4.23 -0.10 -0.98 115.64 114.85 1wxn s THR 39 Ca 0.22 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1wxn s THR 39 Cb -0.15 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1wxn s THR 39 CO 0.18 0.08 0.00 -0.81 -0.54 0.00 0.00 174.62 173.53 1wxn n PRO 40 N 4.66 0.00 -2.71 3.99 -0.04 -1.08 0.17 135.00 139.99 1wxn n PRO 40 Ca -0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.27 1wxn n PRO 40 Cb 0.45 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 2.37 0.66 0.55 0.00 -0.77 -2.56 120.51 117.77 1wxn n ALA 41 Ca 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 53.44 51.71 1wxn n ALA 41 Cb 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 19.45 18.60 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03