#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 n SER 2 N 0.00 2.07 0.02 1.61 3.41 -1.26 -4.92 113.62 114.56 1wr7 n SER 2 Ca 0.00 -3.03 -0.13 0.00 -0.26 0.00 0.00 58.87 55.45 1wr7 n SER 2 Cb 0.00 -0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 1wr7 n SER 2 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1wr7 h PRO 3 N 4.79 -0.06 0.00 4.33 0.13 -2.12 -3.50 132.00 135.56 1wr7 h PRO 3 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1wr7 h PRO 3 Cb 0.78 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1wr7 h PRO 3 CO 0.64 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1wr7 n GLY 4 N 0.03 0.54 2.77 1.56 0.00 -1.26 -4.88 105.19 103.94 1wr7 n GLY 4 Ca -0.08 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1wr7 n GLY 4 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wr7 n ILE 5 N 1.84 3.96 -2.66 -0.61 5.41 -1.26 -5.05 119.36 120.99 1wr7 n ILE 5 Ca 0.00 -5.66 -0.39 0.00 1.00 0.00 0.00 62.75 57.70 1wr7 n ILE 5 Cb 0.00 -1.66 -0.05 0.00 -0.71 0.00 0.00 39.64 37.21 1wr7 n ILE 5 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1wr7 s GLN 6 N -3.41 4.71 -1.11 0.38 1.11 -1.26 -4.94 119.66 115.14 1wr7 s GLN 6 Ca 0.43 1.57 -0.22 0.00 0.01 0.00 0.00 55.36 57.14 1wr7 s GLN 6 Cb 0.20 -3.14 -0.00 0.00 -1.01 0.00 0.00 33.01 29.06 1wr7 s GLN 6 CO -0.08 0.35 1.76 -1.12 0.01 0.00 0.00 175.29 176.21 1wr7 s SER 7 N -1.17 5.91 0.14 5.90 0.01 -1.26 -4.66 113.70 118.57 1wr7 s SER 7 Ca 0.44 -1.60 0.26 0.00 1.31 0.00 0.00 55.95 56.36 1wr7 s SER 7 Cb -0.27 -2.58 0.95 0.00 0.21 0.00 0.00 66.02 64.34 1wr7 s SER 7 CO 0.33 -2.09 1.81 0.49 0.41 0.00 0.00 173.24 174.19 1wr7 n PHE 8 N 11.30 0.59 -4.43 2.43 3.01 -1.26 -4.78 117.46 124.32 1wr7 n PHE 8 Ca 0.42 0.18 -0.28 0.00 1.01 0.00 0.00 57.45 58.78 1wr7 n PHE 8 Cb 0.48 -0.79 -0.08 0.00 -0.01 0.00 0.00 39.48 39.08 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wr7 s LEU 9 N -3.98 2.78 0.48 4.37 1.02 -1.26 -4.91 118.68 117.18 1wr7 s LEU 9 Ca 0.11 -1.34 -0.22 0.00 0.02 0.00 0.00 54.13 52.70 1wr7 s LEU 9 Cb 0.14 -1.05 -0.07 0.00 0.02 0.00 0.00 46.19 45.23 1wr7 s LEU 9 CO 0.55 -0.66 1.13 -2.84 0.02 0.00 0.00 176.35 174.55 1wr7 s PRO 10 N -3.88 3.67 -0.14 1.29 0.02 -1.26 -4.87 135.00 129.83 1wr7 s PRO 10 Ca 0.29 1.66 -0.40 0.00 0.02 0.00 0.00 61.00 62.56 1wr7 s PRO 10 Cb 0.05 -2.26 -0.18 0.00 0.02 0.00 0.00 34.50 32.12 1wr7 s PRO 10 CO 0.16 -0.60 1.42 -2.30 -0.33 0.00 0.00 177.00 175.35 1wr7 n PRO 11 N -0.75 0.62 0.00 5.54 -0.02 -1.26 -1.05 135.00 138.08 1wr7 n PRO 11 Ca 0.09 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1wr7 n PRO 11 Cb 0.50 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.96 1.35 3.67 -1.23 0.00 -1.26 -4.92 105.19 105.77 1wr7 n GLY 12 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.73 3.40 -0.21 1.61 0.52 -0.22 -0.48 118.94 121.83 1wr7 s TRP 13 Ca 0.00 1.50 0.02 0.00 0.02 0.00 0.00 56.10 57.64 1wr7 s TRP 13 Cb 0.00 -3.25 0.04 0.00 -1.15 0.00 0.00 33.47 29.11 1wr7 s TRP 13 CO 0.00 -0.43 -0.16 -2.00 0.02 0.00 0.00 176.95 174.37 1wr7 s GLU 14 N 2.62 2.69 0.14 4.98 2.12 -0.42 -4.86 118.70 125.97 1wr7 s GLU 14 Ca 0.47 -1.02 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 1wr7 s GLU 14 Cb -0.17 -2.68 -0.07 0.00 0.26 0.00 0.00 34.13 31.47 1wr7 s GLU 14 CO 0.12 -0.35 0.92 0.00 -0.54 0.00 0.00 175.26 175.42 1wr7 s MET 15 N 1.22 4.71 0.04 4.30 0.23 -1.26 0.03 119.30 128.57 1wr7 s MET 15 Ca -0.00 1.40 -0.00 0.00 -1.03 0.00 0.00 55.69 56.05 1wr7 s MET 15 Cb -0.16 -3.34 -0.03 0.00 -1.53 0.00 0.00 34.83 29.77 1wr7 s MET 15 CO -0.10 0.32 -0.03 1.03 -2.03 0.00 0.00 175.02 174.21 1wr7 s ARG 16 N -0.38 0.51 -0.32 3.16 0.52 0.13 -4.96 118.95 117.60 1wr7 s ARG 16 Ca 0.44 -0.98 -0.07 0.00 -0.52 0.00 0.00 55.73 54.60 1wr7 s ARG 16 Cb -0.24 0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.38 1wr7 s ARG 16 CO 0.29 -0.08 0.11 0.42 0.02 0.00 0.00 175.30 176.07 1wr7 s ILE 17 N -2.87 4.03 0.47 1.52 -1.09 -1.26 0.38 121.20 122.39 1wr7 s ILE 17 Ca -0.02 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.37 1wr7 s ILE 17 Cb 0.00 -3.17 -0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1wr7 s ILE 17 CO -0.06 -0.05 0.96 0.00 -1.23 0.00 0.00 174.94 174.56 1wr7 s ALA 18 N 1.48 3.06 -1.25 9.38 0.00 -0.86 -4.93 121.76 128.63 1wr7 s ALA 18 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1wr7 s ALA 18 Cb -0.18 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1wr7 s ALA 18 CO 0.03 -0.03 0.89 -2.30 0.00 0.00 0.00 175.76 174.36 1wr7 n PRO 19 N -1.05 0.00 0.00 0.00 -0.02 -1.26 -0.52 135.00 132.16 1wr7 n PRO 19 Ca 0.07 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1wr7 n PRO 19 Cb 0.54 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 33.02 1wr7 n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wr7 n ASN 20 N -1.37 0.24 0.00 2.55 4.13 -1.26 -4.90 115.26 114.65 1wr7 n ASN 20 Ca 0.00 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1wr7 n ASN 20 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1wr7 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wr7 n GLY 21 N 1.46 0.96 3.35 7.41 0.00 0.33 -5.06 105.19 113.63 1wr7 n GLY 21 Ca 0.08 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.89 3.20 0.03 1.61 0.52 -1.21 -4.94 118.95 117.27 1wr7 s ARG 22 Ca 0.00 -0.78 -0.32 0.00 -0.52 0.00 0.00 55.73 54.10 1wr7 s ARG 22 Cb 0.00 -3.33 -0.11 0.00 0.52 0.00 0.00 34.95 32.03 1wr7 s ARG 22 CO 0.00 -0.38 1.85 -2.30 0.02 0.00 0.00 175.30 174.48 1wr7 n PRO 23 N 4.87 2.49 -4.74 3.54 -0.02 -1.26 -2.03 135.00 137.85 1wr7 n PRO 23 Ca -0.15 0.91 -0.28 0.00 -2.02 0.00 0.00 63.50 61.96 1wr7 n PRO 23 Cb 0.49 -2.78 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 1wr7 n PRO 23 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1wr7 s PHE 24 N 3.32 2.09 -0.31 6.00 -0.71 0.16 -4.68 117.98 123.86 1wr7 s PHE 24 Ca 0.87 -0.39 -0.06 0.00 -1.04 0.00 0.00 56.93 56.30 1wr7 s PHE 24 Cb -0.58 -1.24 0.02 0.00 -1.21 0.00 0.00 43.02 40.02 1wr7 s PHE 24 CO 0.44 0.13 0.07 -0.06 -1.34 0.00 0.00 175.22 174.46 1wr7 s PHE 25 N -0.83 3.18 -0.41 3.49 0.08 0.20 0.19 117.98 123.88 1wr7 s PHE 25 Ca 0.10 -1.21 -0.17 0.00 0.12 0.00 0.00 56.93 55.77 1wr7 s PHE 25 Cb -0.09 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1wr7 s PHE 25 CO 0.02 -0.65 0.41 -1.50 -0.10 0.00 0.00 175.22 173.40 1wr7 s ILE 26 N 1.44 5.12 -0.20 0.64 -1.16 0.10 -1.92 121.20 125.23 1wr7 s ILE 26 Ca 0.01 -0.37 -0.29 0.00 -0.51 0.00 0.00 60.65 59.49 1wr7 s ILE 26 Cb -0.18 -4.00 -0.00 0.00 0.61 0.00 0.00 42.46 38.89 1wr7 s ILE 26 CO 0.02 -0.38 1.16 -0.62 -2.81 0.00 0.00 174.94 172.31 1wr7 s ASP 27 N 1.78 7.01 0.00 4.50 2.15 0.11 -1.30 116.67 130.92 1wr7 s ASP 27 Ca 0.11 1.53 0.28 0.00 0.43 0.00 0.00 52.55 54.90 1wr7 s ASP 27 Cb -0.17 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 41.04 1wr7 s ASP 27 CO 0.13 -0.73 1.79 1.41 -0.17 0.00 0.00 175.17 177.60 1wr7 n HIS 28 N 6.51 0.00 -0.01 -5.34 8.25 0.36 -1.90 115.22 123.09 1wr7 n HIS 28 Ca 0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1wr7 n HIS 28 Cb 0.45 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 1wr7 n HIS 28 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1wr7 h ASN 29 N 1.48 0.00 -0.02 0.41 2.35 -1.91 -3.40 115.58 114.48 1wr7 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wr7 h ASN 29 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1wr7 h ASN 29 CO 0.00 0.14 -0.16 0.35 -1.65 0.00 0.00 177.43 176.12 1wr7 n THR 30 N -2.72 0.00 -2.52 2.81 -2.24 -1.26 -5.01 114.28 103.35 1wr7 n THR 30 Ca -0.01 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1wr7 n THR 30 Cb 0.03 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.85 -1.38 -4.51 -0.78 4.01 -0.80 -5.07 118.16 110.49 1wr7 n LYS 31 Ca 0.13 1.47 -0.21 0.00 -0.51 0.00 0.00 58.31 59.18 1wr7 n LYS 31 Cb 0.55 -4.49 -0.14 0.00 -0.51 0.00 0.00 35.03 30.44 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1wr7 s THR 32 N -2.49 1.12 -0.52 -0.18 2.01 -1.05 -4.95 115.64 109.58 1wr7 s THR 32 Ca 0.10 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1wr7 s THR 32 Cb -0.03 -0.97 0.14 0.00 0.01 0.00 0.00 72.50 71.65 1wr7 s THR 32 CO 0.54 0.17 0.30 0.42 -0.69 0.00 0.00 174.62 175.36 1wr7 s THR 33 N -0.57 3.15 0.11 -0.82 -4.23 -1.26 0.08 115.64 112.09 1wr7 s THR 33 Ca 0.04 -2.81 0.07 0.00 -1.18 0.00 0.00 61.69 57.81 1wr7 s THR 33 Cb -0.07 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 1wr7 s THR 33 CO 0.00 -0.79 -0.11 0.28 -0.54 0.00 0.00 174.62 173.47 1wr7 s THR 34 N 0.22 3.28 -0.24 3.99 -1.32 -0.81 -4.94 115.64 115.83 1wr7 s THR 34 Ca 0.15 -1.33 0.07 0.00 -1.21 0.00 0.00 61.69 59.37 1wr7 s THR 34 Cb -0.22 -2.54 -0.19 0.00 -1.51 0.00 0.00 72.50 68.04 1wr7 s THR 34 CO -0.03 0.10 -0.13 0.79 -2.21 0.00 0.00 174.62 173.13 1wr7 n TRP 35 N 0.67 0.00 -2.38 9.09 7.02 -1.26 0.62 117.44 131.20 1wr7 n TRP 35 Ca -0.14 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.91 1wr7 n TRP 35 Cb 0.52 -0.98 -0.02 0.00 -2.42 0.00 0.00 31.31 28.41 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 -2.50 3.66 0.18 -0.99 8.01 -1.26 -4.70 118.70 121.11 1wr7 s GLU 36 Ca -0.26 0.99 -0.32 0.00 0.01 0.00 0.00 54.97 55.39 1wr7 s GLU 36 Cb 0.08 -3.98 -0.11 0.00 -4.31 0.00 0.00 34.13 25.80 1wr7 s GLU 36 CO 0.66 -1.45 1.72 0.16 0.01 0.00 0.00 175.26 176.36 1wr7 s ASP 37 N 3.58 6.42 0.00 -0.19 -4.77 -1.26 -4.85 116.67 115.61 1wr7 s ASP 37 Ca 0.59 2.80 0.05 0.00 -3.30 0.00 0.00 52.55 52.70 1wr7 s ASP 37 Cb -0.14 -2.59 0.31 0.00 -1.09 0.00 0.00 42.92 39.41 1wr7 s ASP 37 CO 0.30 -0.96 0.74 -0.81 0.70 0.00 0.00 175.17 175.15 1wr7 n PRO 38 N 4.35 0.44 0.00 2.11 -0.04 -1.26 -0.96 135.00 139.63 1wr7 n PRO 38 Ca 0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1wr7 n PRO 38 Cb 0.36 -1.18 0.13 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.68 0.06 -0.05 0.54 1.74 -1.26 -4.35 116.66 112.65 1wr7 n ARG 39 Ca 0.04 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1wr7 n ARG 39 Cb 0.02 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1wr7 n LEU 40 N -1.44 1.07 -0.82 0.55 -0.00 -0.14 -5.21 117.00 111.01 1wr7 n LEU 40 Ca 0.05 0.11 0.13 0.00 -0.00 0.00 0.00 56.01 56.30 1wr7 n LEU 40 Cb 0.34 -0.32 0.22 0.00 -0.00 0.00 0.00 43.42 43.65 1wr7 n LEU 40 CO 0.37 0.29 0.70 2.29 -0.00 0.00 0.00 177.39 181.04