#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 s SER 2 N 0.00 6.60 0.30 1.61 0.01 -1.26 -4.89 113.70 116.07 1wr7 s SER 2 Ca 0.00 2.16 0.09 0.00 1.31 0.00 0.00 55.95 59.51 1wr7 s SER 2 Cb 0.00 -2.53 0.47 0.00 0.21 0.00 0.00 66.02 64.16 1wr7 s SER 2 CO 0.00 -0.99 1.69 -0.65 0.41 0.00 0.00 173.24 173.69 1wr7 h PRO 3 N 9.82 0.08 0.00 12.44 0.11 -2.10 -3.47 132.00 148.89 1wr7 h PRO 3 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wr7 h PRO 3 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wr7 h PRO 3 CO 0.96 0.57 0.00 0.41 -0.21 0.00 0.00 178.00 179.73 1wr7 n GLY 4 N -0.05 2.43 3.05 -0.55 0.00 -1.26 -4.94 105.19 103.87 1wr7 n GLY 4 Ca -0.02 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1wr7 n GLY 4 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wr7 s ILE 5 N -0.84 1.73 0.07 -0.61 -5.25 -1.26 -4.98 121.20 110.06 1wr7 s ILE 5 Ca 0.00 -0.73 -0.14 0.00 -0.99 0.00 0.00 60.65 58.79 1wr7 s ILE 5 Cb 0.00 -1.60 -0.22 0.00 2.95 0.00 0.00 42.46 43.60 1wr7 s ILE 5 CO 0.00 0.48 1.21 -0.61 -1.79 0.00 0.00 174.94 174.23 1wr7 h GLN 6 N 8.01 0.70 -5.86 0.37 5.75 -2.04 -3.49 115.11 118.55 1wr7 h GLN 6 Ca -0.41 -0.71 -0.18 0.00 -0.15 0.00 0.00 58.65 57.21 1wr7 h GLN 6 Cb 1.14 0.19 0.01 0.00 1.07 0.00 0.00 27.48 29.89 1wr7 h GLN 6 CO 0.56 1.29 -0.83 0.43 -2.65 0.00 0.00 178.83 177.64 1wr7 n SER 7 N -3.91 -6.85 0.00 -0.69 7.64 -1.26 -4.97 113.62 103.58 1wr7 n SER 7 Ca -0.10 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wr7 n SER 7 Cb 0.83 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 1wr7 n SER 7 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1wr7 n PHE 8 N -0.23 0.00 -4.33 1.43 7.35 -1.26 -4.85 117.46 115.56 1wr7 n PHE 8 Ca 0.03 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 1wr7 n PHE 8 Cb 0.56 -0.19 -0.08 0.00 0.35 0.00 0.00 39.48 40.12 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wr7 s LEU 9 N -2.12 3.05 0.72 -2.13 1.43 -1.26 -5.03 118.68 113.34 1wr7 s LEU 9 Ca 0.00 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1wr7 s LEU 9 Cb 0.00 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1wr7 s LEU 9 CO 0.00 -0.02 0.97 -2.65 0.23 0.00 0.00 176.35 174.88 1wr7 n PRO 10 N -0.85 0.52 -1.48 1.29 -0.02 -1.26 -4.78 135.00 128.42 1wr7 n PRO 10 Ca -0.06 0.23 -0.50 0.00 -2.02 0.00 0.00 63.50 61.16 1wr7 n PRO 10 Cb 0.59 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1wr7 n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wr7 n PRO 11 N -1.82 1.26 0.00 0.52 -0.02 -1.26 -1.35 135.00 132.32 1wr7 n PRO 11 Ca 0.13 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1wr7 n PRO 11 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1wr7 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr7 n GLY 12 N 6.28 1.88 3.65 -1.23 0.00 -1.26 -4.88 105.19 109.63 1wr7 n GLY 12 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1wr7 n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr7 s TRP 13 N -1.47 3.34 -0.29 1.61 0.52 -0.46 -0.36 118.94 121.83 1wr7 s TRP 13 Ca 0.00 1.33 -0.02 0.00 0.02 0.00 0.00 56.10 57.43 1wr7 s TRP 13 Cb 0.00 -3.17 0.04 0.00 -1.15 0.00 0.00 33.47 29.19 1wr7 s TRP 13 CO 0.00 -0.43 -0.00 -2.00 0.02 0.00 0.00 176.95 174.54 1wr7 s GLU 14 N 2.98 2.54 -0.60 4.98 2.12 0.18 -4.86 118.70 126.04 1wr7 s GLU 14 Ca 0.40 -1.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.26 1wr7 s GLU 14 Cb -0.15 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1wr7 s GLU 14 CO 0.07 -0.57 1.30 0.00 -0.54 0.00 0.00 175.26 175.52 1wr7 s MET 15 N 1.28 3.37 -0.25 4.30 0.23 -1.26 -0.48 119.30 126.50 1wr7 s MET 15 Ca -0.04 0.26 -0.09 0.00 -1.03 0.00 0.00 55.69 54.79 1wr7 s MET 15 Cb -0.19 -4.09 -0.04 0.00 -1.53 0.00 0.00 34.83 28.98 1wr7 s MET 15 CO -0.01 -1.87 0.12 1.03 -2.03 0.00 0.00 175.02 172.26 1wr7 s ARG 16 N 5.32 3.84 -0.48 3.16 0.52 0.37 -4.87 118.95 126.80 1wr7 s ARG 16 Ca 0.46 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 1wr7 s ARG 16 Cb -0.09 -3.45 0.03 0.00 0.52 0.00 0.00 34.95 31.96 1wr7 s ARG 16 CO 0.24 -0.10 1.12 0.42 0.02 0.00 0.00 175.30 177.00 1wr7 s ILE 17 N 1.45 4.22 0.37 1.52 -1.09 -1.26 -0.06 121.20 126.35 1wr7 s ILE 17 Ca 0.06 1.17 -0.20 0.00 -2.23 0.00 0.00 60.65 59.45 1wr7 s ILE 17 Cb -0.15 -4.59 -0.10 0.00 -1.58 0.00 0.00 42.46 36.03 1wr7 s ILE 17 CO 0.06 -1.01 0.88 0.00 -1.23 0.00 0.00 174.94 173.65 1wr7 s ALA 18 N 4.41 3.16 -2.00 9.38 0.00 0.20 -4.93 121.76 131.97 1wr7 s ALA 18 Ca 0.47 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1wr7 s ALA 18 Cb -0.07 -3.04 0.34 0.00 0.00 0.00 0.00 23.12 20.34 1wr7 s ALA 18 CO 0.31 0.20 0.72 -2.30 0.00 0.00 0.00 175.76 174.70 1wr7 n PRO 19 N -0.31 0.27 0.07 0.00 -0.02 -1.26 -0.66 135.00 133.09 1wr7 n PRO 19 Ca 0.05 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1wr7 n PRO 19 Cb 0.53 -1.33 0.19 0.00 -0.02 0.00 0.00 33.50 32.87 1wr7 n PRO 19 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 7.08 -2.02 -3.47 115.58 119.72 1wr7 h ASN 20 Ca 0.00 -0.18 0.00 0.00 -3.08 0.00 0.00 56.30 53.04 1wr7 h ASN 20 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1wr7 h ASN 20 CO 0.00 0.09 0.00 0.61 -2.08 0.00 0.00 177.43 176.05 1wr7 n GLY 21 N 1.32 1.16 3.33 9.14 0.00 0.17 -5.09 105.19 115.23 1wr7 n GLY 21 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1wr7 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr7 s ARG 22 N -0.64 2.91 -0.25 1.61 1.81 -1.14 -4.94 118.95 118.31 1wr7 s ARG 22 Ca 0.00 -0.99 -0.28 0.00 -1.72 0.00 0.00 55.73 52.74 1wr7 s ARG 22 Cb 0.00 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.97 1wr7 s ARG 22 CO 0.00 -0.56 2.16 -2.14 -0.68 0.00 0.00 175.30 174.07 1wr7 s PRO 23 N 1.49 3.11 -0.20 3.54 0.02 -1.26 -0.63 135.00 141.06 1wr7 s PRO 23 Ca 0.01 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 62.85 1wr7 s PRO 23 Cb -0.18 -4.35 -0.03 0.00 0.02 0.00 0.00 34.50 29.95 1wr7 s PRO 23 CO 0.04 -2.13 0.04 -0.59 -0.33 0.00 0.00 177.00 174.03 1wr7 s PHE 24 N 8.26 3.13 -0.44 6.54 -0.12 0.91 -4.65 117.98 131.62 1wr7 s PHE 24 Ca 0.97 -0.20 -0.21 0.00 -0.05 0.00 0.00 56.93 57.44 1wr7 s PHE 24 Cb -0.30 -2.12 0.03 0.00 -0.63 0.00 0.00 43.02 39.99 1wr7 s PHE 24 CO 0.34 -0.09 0.64 -0.06 -0.05 0.00 0.00 175.22 176.00 1wr7 s PHE 25 N 0.87 3.06 -0.35 3.49 0.08 0.14 -0.48 117.98 124.79 1wr7 s PHE 25 Ca 0.03 -0.07 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 1wr7 s PHE 25 Cb -0.14 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 38.94 1wr7 s PHE 25 CO 0.02 -0.88 0.30 -1.50 -0.10 0.00 0.00 175.22 173.06 1wr7 s ILE 26 N 2.82 5.23 -0.26 0.64 -1.16 0.37 -2.00 121.20 126.85 1wr7 s ILE 26 Ca 0.22 -0.18 -0.29 0.00 -0.51 0.00 0.00 60.65 59.89 1wr7 s ILE 26 Cb -0.14 -3.79 0.01 0.00 0.61 0.00 0.00 42.46 39.15 1wr7 s ILE 26 CO 0.19 -0.09 1.08 -0.62 -2.81 0.00 0.00 174.94 172.69 1wr7 s ASP 27 N 1.73 7.02 0.00 4.50 2.15 0.11 -0.64 116.67 131.53 1wr7 s ASP 27 Ca 0.08 1.28 0.18 0.00 0.43 0.00 0.00 52.55 54.53 1wr7 s ASP 27 Cb -0.17 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.47 1wr7 s ASP 27 CO 0.11 -0.76 1.44 1.41 -0.17 0.00 0.00 175.17 177.20 1wr7 n HIS 28 N 6.57 0.37 -0.11 -5.34 8.25 0.51 -2.10 115.22 123.39 1wr7 n HIS 28 Ca 0.12 -0.19 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 1wr7 n HIS 28 Cb 0.46 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 1wr7 n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr7 n ASN 29 N 0.61 1.90 -0.47 0.41 3.02 -1.26 -4.62 115.26 114.84 1wr7 n ASN 29 Ca 0.16 0.41 0.05 0.00 -0.03 0.00 0.00 54.58 55.17 1wr7 n ASN 29 Cb 0.37 -0.84 0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1wr7 n ASN 29 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wr7 n THR 30 N -4.42 0.50 -2.65 3.41 -2.24 -1.26 -5.03 114.28 102.59 1wr7 n THR 30 Ca -0.30 -0.75 -0.03 0.00 -2.27 0.00 0.00 64.05 60.70 1wr7 n THR 30 Cb 0.63 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1wr7 n THR 30 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wr7 n LYS 31 N 0.47 -1.38 -4.43 -0.78 4.76 -0.89 -5.07 118.16 110.84 1wr7 n LYS 31 Ca 0.08 1.48 -0.22 0.00 -2.87 0.00 0.00 58.31 56.79 1wr7 n LYS 31 Cb 0.32 -4.81 -0.14 0.00 -1.84 0.00 0.00 35.03 28.57 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wr7 s THR 32 N -2.69 1.26 -0.27 -0.18 2.01 -1.01 -4.96 115.64 109.80 1wr7 s THR 32 Ca 0.08 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1wr7 s THR 32 Cb -0.02 -1.13 0.08 0.00 0.01 0.00 0.00 72.50 71.44 1wr7 s THR 32 CO 0.59 0.06 0.02 0.42 -0.69 0.00 0.00 174.62 175.02 1wr7 s THR 33 N -0.83 1.45 0.07 -0.82 -4.23 -1.26 0.07 115.64 110.09 1wr7 s THR 33 Ca 0.03 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1wr7 s THR 33 Cb -0.08 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1wr7 s THR 33 CO 0.01 -0.37 -0.22 0.28 -0.54 0.00 0.00 174.62 173.78 1wr7 s THR 34 N 1.38 1.79 -0.90 3.99 -1.32 -0.85 -4.98 115.64 114.76 1wr7 s THR 34 Ca 0.02 -1.38 0.25 0.00 -1.21 0.00 0.00 61.69 59.37 1wr7 s THR 34 Cb -0.18 -1.57 0.01 0.00 -1.51 0.00 0.00 72.50 69.24 1wr7 s THR 34 CO -0.12 0.13 1.37 0.79 -2.21 0.00 0.00 174.62 174.58 1wr7 n TRP 35 N 1.51 0.13 -3.84 9.09 7.02 -1.26 0.23 117.44 130.32 1wr7 n TRP 35 Ca -0.18 0.04 -0.36 0.00 -1.02 0.00 0.00 57.50 55.98 1wr7 n TRP 35 Cb 0.53 -0.35 -0.13 0.00 -2.42 0.00 0.00 31.31 28.94 1wr7 n TRP 35 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1wr7 s GLU 36 N -3.05 3.49 -0.31 -0.99 8.01 -1.26 -4.72 118.70 119.87 1wr7 s GLU 36 Ca 0.09 -0.57 -0.39 0.00 0.01 0.00 0.00 54.97 54.12 1wr7 s GLU 36 Cb 0.16 -3.15 -0.15 0.00 -4.31 0.00 0.00 34.13 26.69 1wr7 s GLU 36 CO 0.71 -0.20 1.89 -3.47 0.01 0.00 0.00 175.26 174.20 1wr7 n ASP 37 N 4.85 2.24 0.11 -0.19 -0.08 -1.26 -4.81 116.55 117.42 1wr7 n ASP 37 Ca -0.17 0.88 0.09 0.00 -1.51 0.00 0.00 54.79 54.08 1wr7 n ASP 37 Cb 0.51 -1.16 0.43 0.00 2.34 0.00 0.00 41.12 43.24 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wr7 n PRO 38 N 6.28 0.11 -0.03 -0.67 -0.04 -1.26 -1.17 135.00 138.22 1wr7 n PRO 38 Ca 0.32 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.42 1wr7 n PRO 38 Cb 0.14 -1.81 0.52 0.00 -0.04 0.00 0.00 33.50 32.32 1wr7 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wr7 n ARG 39 N -2.04 1.38 -0.01 0.54 1.74 -1.26 -2.93 116.66 114.08 1wr7 n ARG 39 Ca 0.00 -0.56 0.10 0.00 -0.77 0.00 0.00 57.85 56.62 1wr7 n ARG 39 Cb 0.09 -1.38 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wr7 n LEU 40 N -0.25 0.13 -0.50 0.55 4.77 -0.32 -5.26 117.00 116.13 1wr7 n LEU 40 Ca 0.17 -0.07 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1wr7 n LEU 40 Cb 0.21 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1wr7 n LEU 40 CO 0.13 0.03 0.45 2.29 -1.33 0.00 0.00 177.39 178.96