#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 5.13 0.32 1.61 1.04 -1.26 -4.95 113.70 115.59 1wr7 s SER 2 Ca 0.00 -1.11 0.25 0.00 0.48 0.00 0.00 55.95 55.57 1wr7 s SER 2 Cb 0.00 -1.82 0.73 0.00 0.10 0.00 0.00 66.02 65.03 1wr7 s SER 2 CO 0.00 -0.28 1.73 1.55 0.98 0.00 0.00 173.24 177.22 1wr7 h PRO 3 N 8.15 0.00 0.00 4.02 0.13 -2.08 -3.47 132.00 138.75 1wr7 h PRO 3 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1wr7 h PRO 3 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wr7 h PRO 3 CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1wr7 n GLY 4 N 0.99 2.09 3.57 1.56 0.00 -1.26 -5.01 105.19 107.13 1wr7 n GLY 4 Ca 0.04 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1wr7 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr7 s ILE 5 N 0.00 3.82 0.00 -0.61 -1.09 -1.26 -3.87 121.20 118.19 1wr7 s ILE 5 Ca 0.00 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1wr7 s ILE 5 Cb 0.00 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 1wr7 s ILE 5 CO 0.00 -1.64 0.00 0.00 -1.23 0.00 0.00 174.94 172.07 1wr7 n GLN 6 N 8.69 0.00 -2.70 2.79 1.13 -1.26 -4.91 117.38 121.12 1wr7 n GLN 6 Ca 0.40 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 55.03 1wr7 n GLN 6 Cb 0.48 -3.46 -0.01 0.00 0.11 0.00 0.00 30.24 27.36 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wr7 s SER 7 N -2.52 6.73 0.21 1.08 1.04 -1.25 -4.96 113.70 114.04 1wr7 s SER 7 Ca 0.00 -2.15 0.03 0.00 0.48 0.00 0.00 55.95 54.30 1wr7 s SER 7 Cb 0.00 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.64 1wr7 s SER 7 CO 0.00 -1.19 0.25 0.49 0.98 0.00 0.00 173.24 173.77 1wr7 n PHE 8 N 7.75 -2.84 -4.23 5.02 3.72 -1.26 -4.85 117.46 120.77 1wr7 n PHE 8 Ca 0.37 -0.63 -0.13 0.00 -0.05 0.00 0.00 57.45 57.01 1wr7 n PHE 8 Cb 0.48 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wr7 s LEU 9 N 0.00 2.18 0.55 4.37 1.43 -1.26 -4.72 118.68 121.24 1wr7 s LEU 9 Ca 0.19 -1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 51.94 1wr7 s LEU 9 Cb -0.01 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 1wr7 s LEU 9 CO 0.12 -0.55 1.24 -2.84 0.23 0.00 0.00 176.35 174.55 1wr7 s PRO 10 N -3.90 3.17 -0.22 1.29 0.02 -1.26 -4.89 135.00 129.21 1wr7 s PRO 10 Ca 0.22 1.93 -0.38 0.00 0.02 0.00 0.00 61.00 62.79 1wr7 s PRO 10 Cb 0.06 -2.11 -0.14 0.00 0.02 0.00 0.00 34.50 32.33 1wr7 s PRO 10 CO 0.03 -1.07 1.82 -2.30 -0.33 0.00 0.00 177.00 175.14 1wr7 n PRO 11 N -1.22 1.52 0.00 5.54 -0.02 -1.26 -1.70 135.00 137.86 1wr7 n PRO 11 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1wr7 n PRO 11 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 4.39 1.40 3.69 -1.23 0.00 -1.26 -4.86 105.19 107.33 1wr7 n GLY 12 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.37 3.49 -0.12 1.61 0.52 -0.69 0.18 118.94 122.56 1wr7 s TRP 13 Ca 0.00 1.34 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1wr7 s TRP 13 Cb 0.00 -3.00 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1wr7 s TRP 13 CO 0.00 -0.14 -0.12 -2.00 0.02 0.00 0.00 176.95 174.72 1wr7 s GLU 14 N 1.70 1.92 -0.19 4.98 2.12 -0.77 -4.93 118.70 123.53 1wr7 s GLU 14 Ca 0.41 -0.42 -0.21 0.00 0.36 0.00 0.00 54.97 55.11 1wr7 s GLU 14 Cb -0.18 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1wr7 s GLU 14 CO 0.16 -0.19 0.62 0.00 -0.54 0.00 0.00 175.26 175.32 1wr7 s MET 15 N 1.39 4.23 0.02 4.30 0.23 -1.26 0.25 119.30 128.46 1wr7 s MET 15 Ca 0.01 0.61 0.05 0.00 -1.03 0.00 0.00 55.69 55.33 1wr7 s MET 15 Cb -0.13 -3.57 -0.02 0.00 -1.53 0.00 0.00 34.83 29.58 1wr7 s MET 15 CO -0.06 -0.21 -0.16 1.03 -2.03 0.00 0.00 175.02 173.59 1wr7 s ARG 16 N 1.80 1.10 -0.18 3.16 0.52 0.10 -4.92 118.95 120.53 1wr7 s ARG 16 Ca 0.29 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.57 1wr7 s ARG 16 Cb -0.16 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 1wr7 s ARG 16 CO 0.11 0.29 0.59 0.42 0.02 0.00 0.00 175.30 176.72 1wr7 s ILE 17 N -0.69 5.07 0.54 1.52 -1.09 -1.26 0.54 121.20 125.82 1wr7 s ILE 17 Ca 0.04 1.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1wr7 s ILE 17 Cb -0.07 -3.91 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1wr7 s ILE 17 CO 0.01 0.17 0.80 0.00 -1.23 0.00 0.00 174.94 174.69 1wr7 s ALA 18 N 1.58 3.51 -0.19 9.38 0.00 -0.29 -4.94 121.76 130.81 1wr7 s ALA 18 Ca 0.28 -0.88 0.23 0.00 0.00 0.00 0.00 51.96 51.58 1wr7 s ALA 18 Cb -0.16 -2.39 1.21 0.00 0.00 0.00 0.00 23.12 21.78 1wr7 s ALA 18 CO 0.11 -0.64 1.69 -0.35 0.00 0.00 0.00 175.76 176.57 1wr7 n PRO 19 N -2.38 0.15 0.00 0.00 -0.04 -1.26 -0.28 135.00 131.19 1wr7 n PRO 19 Ca 0.04 0.63 0.15 0.00 -0.04 0.00 0.00 63.50 64.27 1wr7 n PRO 19 Cb 0.58 -1.97 0.69 0.00 -0.04 0.00 0.00 33.50 32.76 1wr7 n PRO 19 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1wr7 n ASN 20 N -2.29 0.59 0.00 3.54 0.23 -1.26 -4.89 115.26 111.18 1wr7 n ASN 20 Ca -0.01 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1wr7 n ASN 20 Cb 0.05 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1wr7 n ASN 20 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wr7 n GLY 21 N 1.17 0.48 3.42 4.83 0.00 0.62 -5.04 105.19 110.67 1wr7 n GLY 21 Ca 0.18 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.83 3.59 -0.16 1.61 1.81 -1.23 -4.89 118.95 117.85 1wr7 s ARG 22 Ca 0.00 -0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 53.21 1wr7 s ARG 22 Cb 0.00 -3.21 -0.05 0.00 -0.45 0.00 0.00 34.95 31.23 1wr7 s ARG 22 CO 0.00 -0.15 2.01 -2.14 -0.68 0.00 0.00 175.30 174.34 1wr7 s PRO 23 N 1.46 3.54 -0.07 3.54 0.02 -1.26 -1.14 135.00 141.09 1wr7 s PRO 23 Ca 0.05 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1wr7 s PRO 23 Cb -0.15 -4.24 -0.03 0.00 0.02 0.00 0.00 34.50 30.10 1wr7 s PRO 23 CO 0.02 -1.63 -0.11 -0.59 -0.33 0.00 0.00 177.00 174.36 1wr7 s PHE 24 N 6.61 2.82 -0.33 6.54 -0.12 0.19 -4.68 117.98 129.01 1wr7 s PHE 24 Ca 0.91 -0.14 -0.10 0.00 -0.05 0.00 0.00 56.93 57.54 1wr7 s PHE 24 Cb -0.33 -1.70 -0.00 0.00 -0.63 0.00 0.00 43.02 40.36 1wr7 s PHE 24 CO 0.36 0.19 0.18 -0.06 -0.05 0.00 0.00 175.22 175.84 1wr7 s PHE 25 N -0.60 3.20 -0.37 3.49 0.40 0.31 0.01 117.98 124.43 1wr7 s PHE 25 Ca 0.09 -0.59 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 1wr7 s PHE 25 Cb -0.11 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1wr7 s PHE 25 CO 0.02 -0.48 0.24 -1.50 0.70 0.00 0.00 175.22 174.20 1wr7 s ILE 26 N 1.62 5.07 -0.18 0.64 -1.16 0.14 -1.46 121.20 125.87 1wr7 s ILE 26 Ca 0.04 -0.50 -0.29 0.00 -0.51 0.00 0.00 60.65 59.39 1wr7 s ILE 26 Cb -0.18 -3.72 -0.01 0.00 0.61 0.00 0.00 42.46 39.17 1wr7 s ILE 26 CO 0.07 -0.14 1.17 -0.62 -2.81 0.00 0.00 174.94 172.61 1wr7 s ASP 27 N 1.67 7.02 0.00 4.50 2.15 0.15 -1.85 116.67 130.30 1wr7 s ASP 27 Ca 0.05 1.57 0.28 0.00 0.43 0.00 0.00 52.55 54.88 1wr7 s ASP 27 Cb -0.18 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 40.88 1wr7 s ASP 27 CO 0.09 -0.71 1.70 1.41 -0.17 0.00 0.00 175.17 177.50 1wr7 n HIS 28 N 6.39 0.00 -0.06 -5.34 8.25 0.13 -1.51 115.22 123.08 1wr7 n HIS 28 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.55 1wr7 n HIS 28 Cb 0.45 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 1.96 0.00 -0.18 0.41 2.35 -1.89 -3.39 115.58 114.84 1wr7 h ASN 29 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1wr7 h ASN 29 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1wr7 h ASN 29 CO 0.00 0.66 0.00 0.35 -1.65 0.00 0.00 177.43 176.79 1wr7 n THR 30 N -4.72 0.69 -2.86 2.81 -2.24 -1.26 -5.02 114.28 101.68 1wr7 n THR 30 Ca -0.04 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.87 1wr7 n THR 30 Cb 0.14 0.71 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.31 -1.28 -4.42 -0.78 5.02 -0.57 -5.05 118.16 111.39 1wr7 n LYS 31 Ca 0.07 1.22 -0.28 0.00 -2.02 0.00 0.00 58.31 57.30 1wr7 n LYS 31 Cb 0.32 -5.13 -0.13 0.00 -0.02 0.00 0.00 35.03 30.07 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wr7 s THR 32 N -3.07 2.15 -0.25 -0.18 2.01 -0.84 -4.93 115.64 110.53 1wr7 s THR 32 Ca 0.08 -1.69 0.01 0.00 0.31 0.00 0.00 61.69 60.40 1wr7 s THR 32 Cb -0.01 -1.91 0.07 0.00 0.01 0.00 0.00 72.50 70.66 1wr7 s THR 32 CO 0.63 0.09 -0.03 0.42 -0.69 0.00 0.00 174.62 175.05 1wr7 s THR 33 N -1.05 1.50 0.09 -0.82 -4.23 -1.26 0.30 115.64 110.17 1wr7 s THR 33 Ca 0.13 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1wr7 s THR 33 Cb -0.10 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 1wr7 s THR 33 CO 0.05 -0.20 -0.22 0.28 -0.54 0.00 0.00 174.62 174.00 1wr7 s THR 34 N 1.39 1.78 -0.57 3.99 -1.32 -0.54 -4.97 115.64 115.41 1wr7 s THR 34 Ca -0.03 -1.48 0.23 0.00 -1.21 0.00 0.00 61.69 59.21 1wr7 s THR 34 Cb -0.19 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1wr7 s THR 34 CO -0.08 0.04 1.14 0.79 -2.21 0.00 0.00 174.62 174.30 1wr7 n TRP 35 N 1.28 0.47 -3.66 9.09 7.02 -1.26 0.12 117.44 130.49 1wr7 n TRP 35 Ca -0.19 0.14 -0.39 0.00 -1.02 0.00 0.00 57.50 56.04 1wr7 n TRP 35 Cb 0.53 -0.59 -0.11 0.00 -2.42 0.00 0.00 31.31 28.72 1wr7 n TRP 35 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1wr7 s GLU 36 N -3.21 2.65 0.54 -0.99 -1.05 -1.26 -4.67 118.70 110.70 1wr7 s GLU 36 Ca 0.04 -1.27 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 1wr7 s GLU 36 Cb 0.13 -3.66 -0.06 0.00 -0.44 0.00 0.00 34.13 30.11 1wr7 s GLU 36 CO 0.77 -0.79 1.27 -0.40 0.95 0.00 0.00 175.26 177.06 1wr7 n ASP 37 N 4.90 2.31 -0.17 0.83 5.75 -1.26 -4.87 116.55 124.04 1wr7 n ASP 37 Ca -0.11 0.97 0.01 0.00 -0.01 0.00 0.00 54.79 55.64 1wr7 n ASP 37 Cb 0.44 -1.53 0.02 0.00 -1.03 0.00 0.00 41.12 39.02 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wr7 n PRO 38 N -0.85 1.12 0.00 0.11 -0.04 -1.26 -2.19 135.00 131.89 1wr7 n PRO 38 Ca 0.10 -0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1wr7 n PRO 38 Cb 0.44 -1.12 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1wr7 n PRO 38 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wr7 n ARG 39 N -0.30 1.28 -0.09 0.54 1.85 -1.26 -4.42 116.66 114.26 1wr7 n ARG 39 Ca 0.01 -0.45 -0.23 0.00 -1.00 0.00 0.00 57.85 56.18 1wr7 n ARG 39 Cb 0.08 -1.36 -0.12 0.00 -1.05 0.00 0.00 32.46 30.02 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wr7 n LEU 40 N -0.74 2.11 0.00 2.89 4.77 -0.93 -5.09 117.00 120.02 1wr7 n LEU 40 Ca 0.06 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1wr7 n LEU 40 Cb 0.34 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1wr7 n LEU 40 CO 0.30 0.50 0.04 2.29 -1.33 0.00 0.00 177.39 179.20