#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 4.69 -2.76 2.61 -2.24 -1.26 -4.95 114.28 110.37 1wxn n THR 2 Ca 0.00 -3.34 -0.42 0.00 -2.27 0.00 0.00 64.05 58.02 1wxn n THR 2 Cb 0.00 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 65.81 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 0.78 3.19 0.12 6.98 0.00 -1.26 -1.21 121.76 130.36 1wxn s ALA 3 Ca 0.62 0.48 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1wxn s ALA 3 Cb 0.18 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1wxn s ALA 3 CO -0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 175.76 175.34 1wxn s SER 5 N -2.42 0.85 -0.50 0.00 1.04 -1.26 -0.47 113.70 110.94 1wxn s SER 5 Ca 0.09 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.44 1wxn s SER 5 Cb -0.05 -0.29 0.13 0.00 0.10 0.00 0.00 66.02 65.91 1wxn s SER 5 CO 0.03 -0.14 0.32 0.00 0.98 0.00 0.00 173.24 174.44 1wxn n GLY 7 N 4.27 2.19 0.00 0.00 0.00 -1.26 -1.38 105.19 109.01 1wxn n GLY 7 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 10.27 0.74 -4.54 1.61 6.94 -1.26 -4.84 115.26 124.18 1wxn n ASN 8 Ca 0.00 -0.60 -0.43 0.00 -0.02 0.00 0.00 54.58 53.53 1wxn n ASN 8 Cb 0.00 0.71 -0.06 0.00 -2.36 0.00 0.00 39.78 38.08 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1wxn s SER 9 N -3.15 6.40 -0.10 0.53 0.01 -0.48 -4.69 113.70 112.22 1wxn s SER 9 Ca 0.08 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1wxn s SER 9 Cb 0.16 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1wxn s SER 9 CO 0.80 -0.90 -0.21 -1.59 0.41 0.00 0.00 173.24 171.75 1wxn s LYS 10 N 3.23 2.72 0.00 12.44 -2.85 -1.11 0.38 119.74 134.55 1wxn s LYS 10 Ca 0.29 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1wxn s LYS 10 Cb -0.12 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 1wxn s LYS 10 CO 0.22 0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.20 1wxn n GLY 11 N 3.65 3.98 3.11 0.59 0.00 0.38 -0.87 105.19 116.03 1wxn n GLY 11 Ca -0.20 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 0.25 1.25 -0.14 -0.61 -1.09 -0.11 -0.78 121.20 119.96 1wxn s ILE 12 Ca 0.00 -0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 1wxn s ILE 12 Cb 0.00 -1.07 -0.05 0.00 -1.58 0.00 0.00 42.46 39.77 1wxn s ILE 12 CO 0.00 0.36 0.28 -0.72 -1.23 0.00 0.00 174.94 173.63 1wxn s TYR 13 N -0.05 3.50 0.01 3.97 -0.85 -0.35 -0.89 117.35 122.69 1wxn s TYR 13 Ca -0.01 0.61 0.01 0.00 -0.52 0.00 0.00 57.07 57.17 1wxn s TYR 13 Cb -0.09 -2.28 -0.04 0.00 0.38 0.00 0.00 41.96 39.93 1wxn s TYR 13 CO 0.01 0.33 0.02 -1.58 -1.52 0.00 0.00 175.55 172.81 1wxn s TRP 14 N 0.16 3.11 -0.49 -3.49 0.52 0.96 -4.84 118.94 114.88 1wxn s TRP 14 Ca 0.16 0.09 -0.29 0.00 0.02 0.00 0.00 56.10 56.09 1wxn s TRP 14 Cb -0.13 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 1wxn s TRP 14 CO 0.04 0.48 1.28 -0.06 0.02 0.00 0.00 176.95 178.72 1wxn s PHE 15 N -1.14 2.55 -1.11 -1.98 0.08 -1.26 0.11 117.98 115.23 1wxn s PHE 15 Ca 0.21 0.61 -0.18 0.00 0.12 0.00 0.00 56.93 57.69 1wxn s PHE 15 Cb -0.12 -4.41 -0.02 0.00 -0.57 0.00 0.00 43.02 37.90 1wxn s PHE 15 CO 0.12 -1.68 0.82 0.66 -0.10 0.00 0.00 175.22 175.04 1wxn n TYR 16 N 8.57 -2.04 -3.68 0.36 4.01 -1.11 -4.92 117.16 118.35 1wxn n TYR 16 Ca 0.13 0.54 -0.29 0.00 -0.16 0.00 0.00 57.90 58.12 1wxn n TYR 16 Cb 0.49 -3.58 -0.13 0.00 -0.31 0.00 0.00 39.34 35.81 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 -5.60 1.24 0.00 -0.72 0.52 -1.26 -4.93 118.95 108.20 1wxn s ARG 17 Ca 0.46 -2.00 0.14 0.00 -0.52 0.00 0.00 55.73 53.82 1wxn s ARG 17 Cb -0.14 -2.24 0.81 0.00 0.52 0.00 0.00 34.95 33.90 1wxn s ARG 17 CO 0.84 -1.18 1.27 -2.30 0.02 0.00 0.00 175.30 173.94 1wxn n PRO 18 N 3.50 0.61 -3.54 3.54 -0.02 -1.26 -3.99 135.00 133.84 1wxn n PRO 18 Ca 0.10 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 1wxn n PRO 18 Cb 0.35 -1.35 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.81 6.33 -0.29 2.55 0.01 -1.26 -5.05 113.70 114.19 1wxn s SER 19 Ca 0.20 -3.54 -0.29 0.00 1.31 0.00 0.00 55.95 53.64 1wxn s SER 19 Cb 0.09 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.33 1wxn s SER 19 CO 0.16 -0.25 1.14 0.00 0.41 0.00 0.00 173.24 174.69 1wxn s PRO 21 N 3.67 4.19 0.00 0.00 0.02 -1.26 -4.87 135.00 136.75 1wxn s PRO 21 Ca 0.48 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1wxn s PRO 21 Cb -0.14 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.71 1wxn s PRO 21 CO 0.15 -0.76 0.75 2.41 -0.33 0.00 0.00 177.00 179.23 1wxn n THR 22 N 4.83 0.53 -0.02 0.99 -1.04 -1.26 -3.42 114.28 114.90 1wxn n THR 22 Ca 0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.16 1wxn n THR 22 Cb 0.41 -0.76 -0.12 0.00 -1.82 0.00 0.00 70.33 68.03 1wxn n THR 22 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1wxn n ASP 23 N 0.28 0.47 -1.74 8.00 2.03 -1.26 -4.35 116.55 119.98 1wxn n ASP 23 Ca 0.00 0.21 0.08 0.00 0.52 0.00 0.00 54.79 55.60 1wxn n ASP 23 Cb 0.38 0.70 0.38 0.00 -0.72 0.00 0.00 41.12 41.86 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 -2.75 4.27 -1.85 -0.67 5.12 -1.22 -4.91 116.66 114.65 1wxn n ARG 24 Ca -0.16 -3.00 -0.17 0.00 -1.93 0.00 0.00 57.85 52.59 1wxn n ARG 24 Cb 0.89 -2.07 -0.05 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.93 0.79 3.62 -0.13 0.00 -1.26 -4.74 105.19 104.41 1wxn n GLY 25 Ca 0.27 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.74 1.65 0.02 1.61 4.01 -1.26 -4.59 117.16 115.86 1wxn n TYR 26 Ca -0.18 0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 57.99 1wxn n TYR 26 Cb 0.59 -2.36 -0.14 0.00 -0.31 0.00 0.00 39.34 37.12 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 3.87 0.77 -4.74 -0.72 2.02 -1.19 -3.45 112.91 109.47 1wxn h THR 27 Ca -0.47 -2.48 -0.36 0.00 0.77 0.00 0.00 66.41 63.86 1wxn h THR 27 Cb 1.33 2.56 -0.14 0.00 -1.74 0.00 0.00 68.15 70.16 1wxn h THR 27 CO 0.83 0.82 -0.55 -0.83 0.37 0.00 0.00 175.52 176.15 1wxn s GLY 28 N -5.36 1.91 -0.16 2.16 0.00 0.71 -4.99 107.32 101.59 1wxn s GLY 28 Ca -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 44.72 42.62 1wxn s GLY 28 CO 0.80 -1.44 0.13 -0.45 0.00 0.00 0.00 173.10 172.14 1wxn s SER 29 N -3.27 1.86 -0.02 1.64 0.15 -1.26 -0.80 113.70 112.01 1wxn s SER 29 Ca 0.40 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wxn s SER 29 Cb 0.05 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1wxn s SER 29 CO 0.20 -0.33 0.06 0.00 1.20 0.00 0.00 173.24 174.37 1wxn s ARG 31 N -1.59 3.96 0.09 0.00 6.06 -1.26 0.21 118.95 126.42 1wxn s ARG 31 Ca 0.21 0.90 -0.01 0.00 -2.50 0.00 0.00 55.73 54.33 1wxn s ARG 31 Cb -0.12 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 31.07 1wxn s ARG 31 CO 0.12 -1.01 0.26 -0.47 -2.50 0.00 0.00 175.30 171.69 1wxn s TYR 32 N 3.81 3.51 -0.14 5.12 5.04 0.56 -4.89 117.35 130.35 1wxn s TYR 32 Ca 0.45 0.31 0.22 0.00 -2.44 0.00 0.00 57.07 55.62 1wxn s TYR 32 Cb -0.11 -1.81 1.22 0.00 0.35 0.00 0.00 41.96 41.60 1wxn s TYR 32 CO 0.19 0.54 1.68 0.74 -1.34 0.00 0.00 175.55 177.37 1wxn h PHE 33 N 2.92 0.00 -0.00 4.97 0.04 -2.00 0.18 116.94 123.05 1wxn h PHE 33 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1wxn h PHE 33 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1wxn h PHE 33 CO 0.60 0.00 -0.38 1.28 -0.60 0.00 0.00 178.31 179.21 1wxn n LEU 34 N -2.29 0.52 0.00 1.54 7.99 -1.26 -5.10 117.00 118.40 1wxn n LEU 34 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 56.01 55.45 1wxn n LEU 34 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1wxn n LEU 34 CO 0.10 0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.71 1wxn n GLY 35 N 1.16 -0.62 3.45 -0.72 0.00 0.05 -2.75 105.19 105.75 1wxn n GLY 35 Ca 0.02 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 5.24 -0.96 2.61 2.01 0.12 -0.32 115.64 120.34 1wxn s THR 36 Ca 0.00 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1wxn s THR 36 Cb 0.00 -3.93 0.08 0.00 0.01 0.00 0.00 72.50 68.66 1wxn s THR 36 CO 0.00 -0.32 1.30 0.00 -0.69 0.00 0.00 174.62 174.90 1wxn s THR 39 N 3.00 1.80 0.00 0.00 -4.23 0.02 -0.94 115.64 115.30 1wxn s THR 39 Ca 0.31 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1wxn s THR 39 Cb -0.14 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1wxn s THR 39 CO 0.15 0.08 0.00 -0.81 -0.54 0.00 0.00 174.62 173.49 1wxn n PRO 40 N 4.60 0.00 0.00 3.99 -0.04 -1.20 -0.21 135.00 142.14 1wxn n PRO 40 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1wxn n PRO 40 Cb 0.45 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.86 0.00 -1.31 0.55 0.00 -0.05 -2.74 120.51 115.11 1wxn n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wxn n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03