#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 4.12 -1.84 2.61 -2.24 -1.26 -4.98 114.28 110.69 1wxn n THR 2 Ca 0.00 -3.79 -0.38 0.00 -2.27 0.00 0.00 64.05 57.61 1wxn n THR 2 Cb 0.00 -2.44 0.03 0.00 -2.10 0.00 0.00 70.33 65.83 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 1.33 2.89 0.16 6.98 0.00 -1.26 -1.19 121.76 130.67 1wxn s ALA 3 Ca 0.45 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.60 1wxn s ALA 3 Cb 0.13 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1wxn s ALA 3 CO -0.04 -1.27 0.35 0.00 0.00 0.00 0.00 175.76 174.80 1wxn s SER 5 N -2.91 -0.18 -0.19 0.00 0.01 -1.26 -0.67 113.70 108.50 1wxn s SER 5 Ca 0.11 0.26 -0.08 0.00 1.31 0.00 0.00 55.95 57.56 1wxn s SER 5 Cb 0.02 0.40 0.08 0.00 0.21 0.00 0.00 66.02 66.74 1wxn s SER 5 CO -0.04 -0.21 0.43 0.00 0.41 0.00 0.00 173.24 173.82 1wxn n GLY 7 N 5.09 4.18 0.01 0.00 0.00 -1.26 -1.07 105.19 112.14 1wxn n GLY 7 Ca -0.12 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 7.99 0.75 -4.83 1.61 4.13 -1.26 -4.93 115.26 118.72 1wxn n ASN 8 Ca 0.00 -0.62 -0.37 0.00 1.68 0.00 0.00 54.58 55.26 1wxn n ASN 8 Cb 0.00 0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 38.79 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 -2.99 6.63 -0.01 6.41 1.04 -0.23 -4.98 113.70 119.57 1wxn s SER 9 Ca 0.10 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.32 1wxn s SER 9 Cb 0.17 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 1wxn s SER 9 CO 0.78 0.31 -0.16 -0.54 0.98 0.00 0.00 173.24 174.61 1wxn s LYS 10 N -0.82 1.28 0.00 4.02 1.02 -1.15 -0.46 119.74 123.64 1wxn s LYS 10 Ca 0.20 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1wxn s LYS 10 Cb -0.15 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1wxn s LYS 10 CO 0.09 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1wxn n GLY 11 N 2.65 2.18 3.02 -3.33 0.00 0.15 -1.47 105.19 108.40 1wxn n GLY 11 Ca -0.15 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 1.15 0.78 -0.12 -0.61 -1.09 -0.26 -0.49 121.20 120.56 1wxn s ILE 12 Ca 0.00 -0.39 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1wxn s ILE 12 Cb 0.00 -0.68 -0.04 0.00 -1.58 0.00 0.00 42.46 40.16 1wxn s ILE 12 CO 0.00 0.23 0.13 -0.72 -1.23 0.00 0.00 174.94 173.35 1wxn s TYR 13 N -0.02 3.54 0.01 3.97 1.13 -0.33 -1.16 117.35 124.49 1wxn s TYR 13 Ca 0.00 0.48 -0.00 0.00 -1.41 0.00 0.00 57.07 56.14 1wxn s TYR 13 Cb -0.06 -1.94 -0.04 0.00 -1.10 0.00 0.00 41.96 38.82 1wxn s TYR 13 CO 0.00 0.68 0.10 -1.58 -2.51 0.00 0.00 175.55 172.24 1wxn s TRP 14 N -0.90 3.33 -0.87 -3.49 0.52 0.11 -4.79 118.94 112.84 1wxn s TRP 14 Ca 0.14 0.22 -0.25 0.00 0.02 0.00 0.00 56.10 56.23 1wxn s TRP 14 Cb -0.12 -1.74 0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1wxn s TRP 14 CO 0.03 0.56 1.40 -0.06 0.02 0.00 0.00 176.95 178.90 1wxn s PHE 15 N -1.26 2.36 -0.56 -1.98 0.08 -1.26 0.02 117.98 115.38 1wxn s PHE 15 Ca 0.25 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1wxn s PHE 15 Cb -0.12 -4.63 0.01 0.00 -0.57 0.00 0.00 43.02 37.71 1wxn s PHE 15 CO 0.17 -2.01 0.64 0.66 -0.10 0.00 0.00 175.22 174.57 1wxn n TYR 16 N 9.39 -3.22 -3.62 0.36 4.01 -1.18 -4.91 117.16 118.00 1wxn n TYR 16 Ca 0.18 1.28 -0.28 0.00 -0.16 0.00 0.00 57.90 58.92 1wxn n TYR 16 Cb 0.50 -3.92 -0.11 0.00 -0.31 0.00 0.00 39.34 35.49 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 -2.83 1.45 0.61 -0.72 1.81 -1.26 -4.96 118.95 113.05 1wxn s ARG 17 Ca 0.16 -2.43 0.30 0.00 -1.72 0.00 0.00 55.73 52.04 1wxn s ARG 17 Cb -0.04 -2.23 1.61 0.00 -0.45 0.00 0.00 34.95 33.83 1wxn s ARG 17 CO 0.77 -1.30 1.99 -1.35 -0.68 0.00 0.00 175.30 174.74 1wxn h PRO 18 N 5.88 0.00 -3.74 3.54 0.11 -1.97 -3.26 132.00 132.56 1wxn h PRO 18 Ca 0.16 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.53 1wxn h PRO 18 Cb 0.87 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.67 1wxn h PRO 18 CO 0.50 0.00 -0.18 0.45 -0.21 0.00 0.00 178.00 178.56 1wxn s SER 19 N -5.25 5.90 -0.18 -2.05 0.15 -1.26 -5.05 113.70 105.96 1wxn s SER 19 Ca -0.04 -2.71 -0.29 0.00 0.70 0.00 0.00 55.95 53.60 1wxn s SER 19 Cb 0.14 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1wxn s SER 19 CO 0.49 -0.48 1.61 0.00 1.20 0.00 0.00 173.24 176.06 1wxn s PRO 21 N 4.48 3.73 -0.08 0.00 0.04 -1.26 -4.84 135.00 137.06 1wxn s PRO 21 Ca 0.71 2.37 0.03 0.00 0.04 0.00 0.00 61.00 64.15 1wxn s PRO 21 Cb -0.27 -4.25 0.20 0.00 0.04 0.00 0.00 34.50 30.23 1wxn s PRO 21 CO 0.28 -1.43 0.99 -2.37 0.04 0.00 0.00 177.00 174.51 1wxn n THR 22 N 6.46 1.06 0.14 1.26 5.66 -1.26 -4.11 114.28 123.49 1wxn n THR 22 Ca 0.24 -0.42 0.02 0.00 -3.05 0.00 0.00 64.05 60.83 1wxn n THR 22 Cb 0.43 -0.60 0.06 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.75 0.00 -0.69 1.09 5.19 -1.98 -3.28 116.42 117.50 1wxn h ASP 23 Ca 0.07 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.97 1wxn h ASP 23 Cb 1.13 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.26 1wxn h ASP 23 CO 0.19 0.55 -0.69 0.54 -3.12 0.00 0.00 179.24 176.72 1wxn n ARG 24 N -3.29 3.37 -1.98 3.56 1.74 -1.26 -4.96 116.66 113.83 1wxn n ARG 24 Ca 0.01 -4.03 -0.16 0.00 -0.77 0.00 0.00 57.85 52.90 1wxn n ARG 24 Cb 0.73 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxn n GLY 25 N -0.76 0.43 3.70 -0.13 0.00 -1.24 -4.85 105.19 102.34 1wxn n GLY 25 Ca 0.43 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.92 2.02 -0.01 1.61 4.01 -1.26 -4.67 117.16 115.94 1wxn n TYR 26 Ca -0.18 0.53 -0.20 0.00 -0.16 0.00 0.00 57.90 57.89 1wxn n TYR 26 Cb 0.59 -2.46 -0.14 0.00 -0.31 0.00 0.00 39.34 37.03 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 5.10 1.29 -2.94 -0.72 2.02 -1.22 -3.46 112.91 112.98 1wxn h THR 27 Ca -0.47 -2.41 -0.61 0.00 0.77 0.00 0.00 66.41 63.70 1wxn h THR 27 Cb 1.32 2.92 -0.17 0.00 -1.74 0.00 0.00 68.15 70.48 1wxn h THR 27 CO 0.95 0.65 -0.80 -0.83 0.37 0.00 0.00 175.52 175.86 1wxn s GLY 28 N -4.67 1.69 -0.26 2.16 0.00 0.75 -4.98 107.32 102.02 1wxn s GLY 28 Ca -0.19 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 42.81 1wxn s GLY 28 CO 0.75 -1.73 0.11 -0.45 0.00 0.00 0.00 173.10 171.79 1wxn s SER 29 N -2.92 3.23 0.05 1.64 0.15 -1.25 -0.37 113.70 114.24 1wxn s SER 29 Ca 0.22 -1.12 0.06 0.00 0.70 0.00 0.00 55.95 55.82 1wxn s SER 29 Cb -0.06 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1wxn s SER 29 CO 0.10 -0.41 -0.13 0.00 1.20 0.00 0.00 173.24 174.01 1wxn s ARG 31 N -1.67 3.67 0.35 0.00 3.00 -1.26 0.20 118.95 123.24 1wxn s ARG 31 Ca 0.17 0.71 -0.01 0.00 -1.00 0.00 0.00 55.73 55.60 1wxn s ARG 31 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 34.95 30.86 1wxn s ARG 31 CO 0.08 -1.45 0.57 -0.47 0.00 0.00 0.00 175.30 174.04 1wxn s TYR 32 N 4.81 3.50 0.27 5.12 5.04 0.10 -4.90 117.35 131.30 1wxn s TYR 32 Ca 0.53 0.46 -0.05 0.00 -2.44 0.00 0.00 57.07 55.56 1wxn s TYR 32 Cb -0.10 -1.98 0.52 0.00 0.35 0.00 0.00 41.96 40.75 1wxn s TYR 32 CO 0.32 0.09 1.60 0.74 -1.34 0.00 0.00 175.55 176.96 1wxn h PHE 33 N 0.90 -0.20 -0.00 4.97 0.04 -1.99 -0.01 116.94 120.65 1wxn h PHE 33 Ca -0.49 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1wxn h PHE 33 Cb 1.21 0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.59 1wxn h PHE 33 CO 0.53 -0.35 -0.48 1.28 -0.60 0.00 0.00 178.31 178.69 1wxn n LEU 34 N -5.47 0.95 0.00 1.54 7.99 -1.26 -5.03 117.00 115.72 1wxn n LEU 34 Ca 0.16 -0.26 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1wxn n LEU 34 Cb 0.55 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1wxn n LEU 34 CO -0.03 0.20 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 1wxn n GLY 35 N 1.43 -0.53 3.24 -0.72 0.00 -0.02 -3.09 105.19 105.51 1wxn n GLY 35 Ca 0.08 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 3.55 -0.45 2.61 2.01 0.10 0.03 115.64 123.49 1wxn s THR 36 Ca 0.00 -1.25 -0.25 0.00 0.31 0.00 0.00 61.69 60.50 1wxn s THR 36 Cb 0.00 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1wxn s THR 36 CO 0.00 -0.19 0.91 0.00 -0.69 0.00 0.00 174.62 174.65 1wxn s THR 39 N 1.64 1.64 0.00 0.00 -4.23 0.51 -1.10 115.64 114.09 1wxn s THR 39 Ca 0.05 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1wxn s THR 39 Cb -0.17 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1wxn s THR 39 CO 0.07 0.11 0.00 -0.81 -0.54 0.00 0.00 174.62 173.45 1wxn n PRO 40 N 4.67 0.00 -1.15 3.99 -0.04 -1.16 -0.18 135.00 141.14 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 0.46 0.00 -0.03 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 2.63 0.09 0.55 0.00 -0.64 -2.92 120.51 117.22 1wxn n ALA 41 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 53.44 52.85 1wxn n ALA 41 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.07 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03