#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr7 h SER 2 N 0.00 -0.53 -4.03 1.61 0.02 -2.09 -3.41 113.55 105.12 1wr7 h SER 2 Ca 0.00 0.09 -0.48 0.00 -0.84 0.00 0.00 61.79 60.56 1wr7 h SER 2 Cb 0.00 0.24 0.04 0.00 0.14 0.00 0.00 62.40 62.82 1wr7 h SER 2 CO 0.00 -0.23 0.42 -2.16 -1.14 0.00 0.00 176.83 173.72 1wr7 s PRO 3 N -6.13 3.85 0.00 3.45 0.04 -1.26 -5.06 135.00 129.89 1wr7 s PRO 3 Ca -0.15 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1wr7 s PRO 3 Cb 0.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wr7 s PRO 3 CO 0.67 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1wr7 n GLY 4 N 0.11 0.01 3.57 0.56 0.00 -1.26 -4.92 105.19 103.26 1wr7 n GLY 4 Ca 0.08 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 0.24 3.63 -0.18 -0.61 -1.09 -1.26 -4.87 121.20 117.06 1wr7 s ILE 5 Ca 0.00 0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 1wr7 s ILE 5 Cb 0.00 -4.24 0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1wr7 s ILE 5 CO 0.00 -1.05 0.19 -1.10 -1.23 0.00 0.00 174.94 171.76 1wr7 s GLN 6 N 5.93 0.15 -0.38 2.79 -0.21 -1.26 -5.12 119.66 121.56 1wr7 s GLN 6 Ca 0.58 0.21 -0.29 0.00 0.02 0.00 0.00 55.36 55.88 1wr7 s GLN 6 Cb -0.13 -1.18 0.02 0.00 1.00 0.00 0.00 33.01 32.72 1wr7 s GLN 6 CO 0.24 -0.61 1.15 -1.12 -2.12 0.00 0.00 175.29 172.83 1wr7 s SER 7 N 2.29 6.75 0.00 5.90 0.01 -1.26 -4.97 113.70 122.42 1wr7 s SER 7 Ca 0.06 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1wr7 s SER 7 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1wr7 s SER 7 CO -0.11 -1.08 0.00 0.49 0.41 0.00 0.00 173.24 172.95 1wr7 n PHE 8 N 7.45 0.00 -4.12 2.43 3.72 -1.26 -5.15 117.46 120.53 1wr7 n PHE 8 Ca 0.13 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1wr7 n PHE 8 Cb 0.48 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 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 2.49 0.68 4.37 1.43 -1.26 -4.98 118.68 121.42 1wr7 s LEU 9 Ca 0.00 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 51.94 1wr7 s LEU 9 Cb 0.00 0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.32 1wr7 s LEU 9 CO 0.00 -0.54 1.23 -2.84 0.23 0.00 0.00 176.35 174.42 1wr7 s PRO 10 N -3.86 2.40 -0.27 1.29 0.02 -1.26 -4.86 135.00 128.47 1wr7 s PRO 10 Ca 0.09 1.84 -0.38 0.00 0.02 0.00 0.00 61.00 62.57 1wr7 s PRO 10 Cb 0.07 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.59 1wr7 s PRO 10 CO -0.08 -1.65 1.85 -2.30 -0.33 0.00 0.00 177.00 174.49 1wr7 n PRO 11 N -2.30 1.29 0.00 5.54 -0.02 -1.26 -1.90 135.00 136.34 1wr7 n PRO 11 Ca 0.14 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1wr7 n PRO 11 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 4.71 1.64 3.72 -1.23 0.00 -1.26 -4.87 105.19 107.90 1wr7 n GLY 12 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.49 3.64 -0.17 1.61 0.52 -0.80 -0.36 118.94 121.89 1wr7 s TRP 13 Ca 0.00 1.46 -0.00 0.00 0.02 0.00 0.00 56.10 57.58 1wr7 s TRP 13 Cb 0.00 -2.93 0.04 0.00 -1.15 0.00 0.00 33.47 29.43 1wr7 s TRP 13 CO 0.00 0.09 -0.06 -2.00 0.02 0.00 0.00 176.95 175.00 1wr7 s GLU 14 N 0.72 1.52 -0.13 4.98 2.12 0.48 -4.94 118.70 123.45 1wr7 s GLU 14 Ca 0.43 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 1wr7 s GLU 14 Cb -0.20 -2.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 1wr7 s GLU 14 CO 0.23 -0.43 0.23 0.00 -0.54 0.00 0.00 175.26 174.75 1wr7 s MET 15 N 1.60 3.92 0.01 4.30 0.23 -1.26 -0.04 119.30 128.05 1wr7 s MET 15 Ca 0.00 0.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.69 1wr7 s MET 15 Cb -0.15 -3.31 -0.01 0.00 -1.53 0.00 0.00 34.83 29.83 1wr7 s MET 15 CO -0.08 0.51 -0.05 1.03 -2.03 0.00 0.00 175.02 174.40 1wr7 s ARG 16 N -0.32 0.36 -0.36 3.16 3.00 0.28 -4.96 118.95 120.11 1wr7 s ARG 16 Ca 0.16 -0.27 -0.19 0.00 0.00 0.00 0.00 55.73 55.42 1wr7 s ARG 16 Cb -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 34.95 34.54 1wr7 s ARG 16 CO 0.04 0.07 0.57 0.42 0.00 0.00 0.00 175.30 176.41 1wr7 s ILE 17 N -0.39 4.95 0.37 1.52 -1.09 -1.26 0.17 121.20 125.47 1wr7 s ILE 17 Ca -0.01 0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 1wr7 s ILE 17 Cb -0.03 -4.03 -0.10 0.00 -1.58 0.00 0.00 42.46 36.72 1wr7 s ILE 17 CO -0.00 -0.29 0.86 0.00 -1.23 0.00 0.00 174.94 174.28 1wr7 s ALA 18 N 2.55 3.18 -1.36 9.38 0.00 -0.68 -4.93 121.76 129.90 1wr7 s ALA 18 Ca 0.21 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1wr7 s ALA 18 Cb -0.15 -2.99 0.24 0.00 0.00 0.00 0.00 23.12 20.22 1wr7 s ALA 18 CO 0.14 0.22 1.02 -0.35 0.00 0.00 0.00 175.76 176.79 1wr7 n PRO 19 N -0.37 0.06 0.00 0.00 -0.04 -1.26 -0.89 135.00 132.49 1wr7 n PRO 19 Ca 0.05 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.92 1wr7 n PRO 19 Cb 0.53 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.32 0.04 0.00 3.54 0.23 -1.26 -4.87 115.26 111.62 1wr7 n ASN 20 Ca 0.02 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 1wr7 n ASN 20 Cb 0.04 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 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 1.39 0.73 3.34 4.83 0.00 -0.07 -5.06 105.19 110.35 1wr7 n GLY 21 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.92 2.88 -0.03 1.61 0.52 -1.19 -4.94 118.95 116.88 1wr7 s ARG 22 Ca 0.00 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 1wr7 s ARG 22 Cb 0.00 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1wr7 s ARG 22 CO 0.00 -0.59 1.71 -2.14 0.02 0.00 0.00 175.30 174.30 1wr7 s PRO 23 N 1.49 4.18 -0.10 3.54 0.02 -1.26 -1.69 135.00 141.18 1wr7 s PRO 23 Ca 0.01 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 1wr7 s PRO 23 Cb -0.18 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 1wr7 s PRO 23 CO 0.04 -0.85 0.04 -0.59 -0.33 0.00 0.00 177.00 175.31 1wr7 s PHE 24 N 3.98 3.27 -0.34 6.54 -0.12 0.13 -4.34 117.98 127.09 1wr7 s PHE 24 Ca 0.76 0.25 -0.07 0.00 -0.05 0.00 0.00 56.93 57.83 1wr7 s PHE 24 Cb -0.35 -1.85 0.04 0.00 -0.63 0.00 0.00 43.02 40.22 1wr7 s PHE 24 CO 0.32 0.50 0.11 -0.06 -0.05 0.00 0.00 175.22 176.04 1wr7 s PHE 25 N -0.79 3.26 -0.25 3.49 0.40 0.19 -0.56 117.98 123.73 1wr7 s PHE 25 Ca 0.12 -1.43 -0.17 0.00 -0.60 0.00 0.00 56.93 54.86 1wr7 s PHE 25 Cb -0.12 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 1wr7 s PHE 25 CO 0.03 -0.73 0.47 -1.50 0.70 0.00 0.00 175.22 174.18 1wr7 s ILE 26 N 1.40 5.11 -0.27 0.64 -1.16 0.94 -1.87 121.20 126.00 1wr7 s ILE 26 Ca -0.01 0.79 -0.21 0.00 -0.51 0.00 0.00 60.65 60.71 1wr7 s ILE 26 Cb -0.20 -3.79 -0.02 0.00 0.61 0.00 0.00 42.46 39.07 1wr7 s ILE 26 CO 0.03 0.13 0.64 -0.62 -2.81 0.00 0.00 174.94 172.31 1wr7 s ASP 27 N 1.49 6.57 0.00 4.50 2.15 -0.08 -0.39 116.67 130.91 1wr7 s ASP 27 Ca 0.20 0.65 0.28 0.00 0.43 0.00 0.00 52.55 54.11 1wr7 s ASP 27 Cb -0.16 -2.34 1.14 0.00 -0.30 0.00 0.00 42.92 41.27 1wr7 s ASP 27 CO 0.09 -0.41 1.82 1.41 -0.17 0.00 0.00 175.17 177.91 1wr7 n HIS 28 N 5.78 0.00 -0.01 -5.34 8.25 0.51 -1.05 115.22 123.35 1wr7 n HIS 28 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1wr7 n HIS 28 Cb 0.49 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 0.41 -0.08 0.47 0.41 2.35 -1.90 -3.34 115.58 113.90 1wr7 h ASN 29 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1wr7 h ASN 29 Cb 0.40 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1wr7 h ASN 29 CO 0.00 0.57 -0.52 0.35 -1.65 0.00 0.00 177.43 176.18 1wr7 n THR 30 N -4.79 0.00 -3.22 2.81 -2.24 -1.25 -4.97 114.28 100.61 1wr7 n THR 30 Ca -0.05 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1wr7 n THR 30 Cb 0.22 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.48 -4.65 -4.20 -0.78 5.02 -0.22 -5.04 118.16 106.80 1wr7 n LYS 31 Ca 0.06 0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 56.92 1wr7 n LYS 31 Cb 0.34 -5.50 -0.12 0.00 -0.02 0.00 0.00 35.03 29.73 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 -3.33 1.26 -0.30 -0.18 2.01 -0.80 -4.99 115.64 109.31 1wr7 s THR 32 Ca 0.14 -1.39 -0.07 0.00 0.31 0.00 0.00 61.69 60.68 1wr7 s THR 32 Cb -0.02 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.29 1wr7 s THR 32 CO 0.66 -0.21 0.09 0.42 -0.69 0.00 0.00 174.62 174.90 1wr7 s THR 33 N -1.32 4.04 0.20 -0.82 -4.23 -1.26 -0.90 115.64 111.35 1wr7 s THR 33 Ca 0.01 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.94 1wr7 s THR 33 Cb -0.10 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1wr7 s THR 33 CO 0.03 0.07 -0.07 0.28 -0.54 0.00 0.00 174.62 174.39 1wr7 s THR 34 N 1.51 3.25 0.00 3.99 -1.32 -0.78 -5.00 115.64 117.30 1wr7 s THR 34 Ca 0.03 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1wr7 s THR 34 Cb -0.17 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1wr7 s THR 34 CO 0.03 -0.18 0.00 0.79 -2.21 0.00 0.00 174.62 173.04 1wr7 n TRP 35 N -0.22 0.00 -2.23 9.09 7.02 -1.26 0.58 117.44 130.41 1wr7 n TRP 35 Ca -0.09 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 1wr7 n TRP 35 Cb 0.56 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.57 4.34 0.63 -0.99 2.02 -1.26 -3.14 118.70 119.74 1wr7 s GLU 36 Ca 0.00 1.99 -0.18 0.00 0.02 0.00 0.00 54.97 56.80 1wr7 s GLU 36 Cb 0.00 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1wr7 s GLU 36 CO 0.00 -0.42 1.28 0.16 0.02 0.00 0.00 175.26 176.30 1wr7 s ASP 37 N 1.23 4.75 -0.02 -0.19 -4.77 -1.26 -4.88 116.67 111.53 1wr7 s ASP 37 Ca 0.63 2.58 0.03 0.00 -3.30 0.00 0.00 52.55 52.49 1wr7 s ASP 37 Cb -0.34 -2.61 0.11 0.00 -1.09 0.00 0.00 42.92 38.98 1wr7 s ASP 37 CO 0.29 -1.91 0.87 -0.81 0.70 0.00 0.00 175.17 174.32 1wr7 n PRO 38 N -1.81 1.43 0.09 2.11 -0.04 -1.26 -3.01 135.00 132.51 1wr7 n PRO 38 Ca 0.15 -0.44 0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1wr7 n PRO 38 Cb 0.48 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.03 0.61 -0.02 0.54 1.74 -1.26 -4.12 116.66 114.12 1wr7 n ARG 39 Ca 0.04 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 1wr7 n ARG 39 Cb 0.25 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 29.78 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 -2.60 1.77 0.00 0.55 4.77 -1.16 -5.25 117.00 115.07 1wr7 n LEU 40 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1wr7 n LEU 40 Cb 0.55 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wr7 n LEU 40 CO 0.41 0.64 0.00 2.29 -1.33 0.00 0.00 177.39 179.40