#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 6.55 -0.15 1.61 0.01 -1.26 -4.90 113.70 115.55 1wr7 s SER 2 Ca 0.00 2.54 -0.31 0.00 1.31 0.00 0.00 55.95 59.49 1wr7 s SER 2 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 1wr7 s SER 2 CO 0.00 -0.95 2.09 -2.65 0.41 0.00 0.00 173.24 172.14 1wr7 n PRO 3 N 6.25 2.08 0.00 12.44 -0.02 -1.26 -3.94 135.00 150.54 1wr7 n PRO 3 Ca 0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1wr7 n PRO 3 Cb 0.40 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr7 n GLY 4 N 5.32 -0.09 3.30 -1.23 0.00 -1.26 -5.04 105.19 106.19 1wr7 n GLY 4 Ca 0.28 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -8.29 -3.53 -0.61 5.41 -1.25 -4.95 119.36 106.14 1wr7 n ILE 5 Ca 0.00 -0.47 -0.42 0.00 1.00 0.00 0.00 62.75 62.87 1wr7 n ILE 5 Cb 0.00 -5.84 -0.06 0.00 -0.71 0.00 0.00 39.64 33.02 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 -3.94 2.98 0.30 0.38 -0.21 -1.26 -5.06 119.66 112.86 1wr7 s GLN 6 Ca 0.13 -2.38 -0.29 0.00 0.02 0.00 0.00 55.36 52.84 1wr7 s GLN 6 Cb -0.03 -4.05 -0.09 0.00 1.00 0.00 0.00 33.01 29.83 1wr7 s GLN 6 CO 0.79 -1.23 1.12 -1.12 -2.12 0.00 0.00 175.29 172.73 1wr7 s SER 7 N 1.62 7.13 0.13 5.90 0.01 -1.26 -4.84 113.70 122.38 1wr7 s SER 7 Ca 0.15 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1wr7 s SER 7 Cb -0.17 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1wr7 s SER 7 CO -0.05 -0.25 0.00 0.33 0.41 0.00 0.00 173.24 173.68 1wr7 n PHE 8 N 0.96 -0.80 -1.98 2.43 7.35 -1.26 -4.97 117.46 119.18 1wr7 n PHE 8 Ca -0.00 0.44 -0.28 0.00 -0.76 0.00 0.00 57.45 56.85 1wr7 n PHE 8 Cb 0.45 -0.74 0.08 0.00 0.35 0.00 0.00 39.48 39.63 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 -4.66 2.61 0.83 -2.13 1.02 -1.26 -5.04 118.68 110.04 1wr7 s LEU 9 Ca 0.00 0.73 -0.10 0.00 0.02 0.00 0.00 54.13 54.77 1wr7 s LEU 9 Cb 0.00 -3.28 0.09 0.00 0.02 0.00 0.00 46.19 43.02 1wr7 s LEU 9 CO 0.00 -1.79 1.11 -2.84 0.02 0.00 0.00 176.35 172.85 1wr7 s PRO 10 N -5.48 1.80 0.38 1.29 0.02 -1.26 -4.90 135.00 126.85 1wr7 s PRO 10 Ca 0.61 1.25 0.26 0.00 0.02 0.00 0.00 61.00 63.14 1wr7 s PRO 10 Cb -0.11 -1.84 1.36 0.00 0.02 0.00 0.00 34.50 33.93 1wr7 s PRO 10 CO 0.48 -1.99 1.78 -1.00 -0.33 0.00 0.00 177.00 175.95 1wr7 h PRO 11 N -1.39 0.00 -0.00 5.54 0.13 -2.02 -0.47 132.00 133.79 1wr7 h PRO 11 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wr7 h PRO 11 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wr7 h PRO 11 CO 0.49 0.00 -0.16 0.41 -0.23 0.00 0.00 178.00 178.51 1wr7 n GLY 12 N -1.12 -0.90 3.69 1.56 0.00 -1.26 -4.83 105.19 102.32 1wr7 n GLY 12 Ca -0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.53 3.26 -0.20 1.61 0.52 -0.19 0.54 118.94 121.96 1wr7 s TRP 13 Ca 0.26 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.56 1wr7 s TRP 13 Cb 0.20 -1.92 0.05 0.00 -1.15 0.00 0.00 33.47 30.64 1wr7 s TRP 13 CO 0.50 0.38 -0.05 -2.00 0.02 0.00 0.00 176.95 175.80 1wr7 s GLU 14 N -0.40 1.46 -0.17 4.98 2.12 -0.23 -4.84 118.70 121.61 1wr7 s GLU 14 Ca 0.09 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 1wr7 s GLU 14 Cb -0.12 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 1wr7 s GLU 14 CO 0.02 -0.52 1.04 0.00 -0.54 0.00 0.00 175.26 175.26 1wr7 s MET 15 N 1.55 4.32 0.15 4.30 0.23 -1.26 -0.50 119.30 128.09 1wr7 s MET 15 Ca -0.02 1.40 0.09 0.00 -1.03 0.00 0.00 55.69 56.12 1wr7 s MET 15 Cb -0.17 -3.61 -0.04 0.00 -1.53 0.00 0.00 34.83 29.48 1wr7 s MET 15 CO -0.07 -0.51 -0.20 1.03 -2.03 0.00 0.00 175.02 173.25 1wr7 s ARG 16 N 2.72 1.26 -0.33 3.16 0.52 0.11 -4.94 118.95 121.44 1wr7 s ARG 16 Ca 0.47 -1.35 -0.09 0.00 -0.52 0.00 0.00 55.73 54.24 1wr7 s ARG 16 Cb -0.17 -1.40 0.02 0.00 0.52 0.00 0.00 34.95 33.92 1wr7 s ARG 16 CO 0.12 0.30 0.14 0.42 0.02 0.00 0.00 175.30 176.29 1wr7 s ILE 17 N -1.76 4.27 0.54 1.52 -1.09 -1.26 0.34 121.20 123.75 1wr7 s ILE 17 Ca 0.14 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1wr7 s ILE 17 Cb -0.07 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 1wr7 s ILE 17 CO 0.06 -0.06 0.93 0.00 -1.23 0.00 0.00 174.94 174.64 1wr7 s ALA 18 N 1.53 3.20 -0.72 9.38 0.00 -1.20 -4.93 121.76 129.03 1wr7 s ALA 18 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1wr7 s ALA 18 Cb -0.18 -2.91 0.19 0.00 0.00 0.00 0.00 23.12 20.22 1wr7 s ALA 18 CO 0.05 -0.46 1.04 -2.30 0.00 0.00 0.00 175.76 174.09 1wr7 n PRO 19 N -2.29 0.02 0.24 0.00 -0.02 -1.26 -0.60 135.00 131.09 1wr7 n PRO 19 Ca 0.04 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1wr7 n PRO 19 Cb 0.54 -1.65 0.59 0.00 -0.02 0.00 0.00 33.50 32.96 1wr7 n PRO 19 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 4.21 -2.02 -3.46 115.58 116.86 1wr7 h ASN 20 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wr7 h ASN 20 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1wr7 h ASN 20 CO 0.00 0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.93 1wr7 n GLY 21 N -0.69 0.32 3.43 2.83 0.00 0.23 -5.06 105.19 106.25 1wr7 n GLY 21 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 3.60 -0.18 1.61 1.81 -1.25 -4.94 118.95 118.60 1wr7 s ARG 22 Ca 0.00 -0.51 -0.35 0.00 -1.72 0.00 0.00 55.73 53.15 1wr7 s ARG 22 Cb 0.00 -3.20 -0.11 0.00 -0.45 0.00 0.00 34.95 31.18 1wr7 s ARG 22 CO 0.00 -0.13 1.97 -2.30 -0.68 0.00 0.00 175.30 174.16 1wr7 n PRO 23 N 4.69 1.81 -4.72 3.54 -0.02 -1.26 -3.21 135.00 135.83 1wr7 n PRO 23 Ca -0.17 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1wr7 n PRO 23 Cb 0.51 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 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 5.14 2.84 -0.38 6.00 -0.12 0.15 -4.75 117.98 126.86 1wr7 s PHE 24 Ca 0.98 -0.05 -0.12 0.00 -0.05 0.00 0.00 56.93 57.69 1wr7 s PHE 24 Cb -0.74 -1.67 0.03 0.00 -0.63 0.00 0.00 43.02 40.00 1wr7 s PHE 24 CO 0.51 0.28 0.23 -0.06 -0.05 0.00 0.00 175.22 176.13 1wr7 s PHE 25 N -0.79 3.24 -0.30 3.49 0.08 0.24 0.05 117.98 123.99 1wr7 s PHE 25 Ca 0.12 -0.87 -0.18 0.00 0.12 0.00 0.00 56.93 56.12 1wr7 s PHE 25 Cb -0.11 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1wr7 s PHE 25 CO 0.01 -0.63 0.51 -1.50 -0.10 0.00 0.00 175.22 173.51 1wr7 s ILE 26 N 1.58 5.04 -0.07 0.64 -1.16 0.34 -2.11 121.20 125.47 1wr7 s ILE 26 Ca 0.03 0.63 -0.26 0.00 -0.51 0.00 0.00 60.65 60.54 1wr7 s ILE 26 Cb -0.19 -3.89 -0.03 0.00 0.61 0.00 0.00 42.46 38.96 1wr7 s ILE 26 CO 0.07 -0.06 0.81 -0.62 -2.81 0.00 0.00 174.94 172.34 1wr7 s ASP 27 N 1.66 7.09 -0.03 4.50 2.15 0.55 -1.06 116.67 131.54 1wr7 s ASP 27 Ca 0.20 1.32 0.22 0.00 0.43 0.00 0.00 52.55 54.72 1wr7 s ASP 27 Cb -0.15 -2.47 0.66 0.00 -0.30 0.00 0.00 42.92 40.66 1wr7 s ASP 27 CO 0.11 -0.21 1.56 1.41 -0.17 0.00 0.00 175.17 177.87 1wr7 n HIS 28 N 4.11 1.09 -0.08 -5.34 8.25 0.19 -1.81 115.22 121.63 1wr7 n HIS 28 Ca 0.02 -0.53 -0.23 0.00 -0.26 0.00 0.00 57.72 56.73 1wr7 n HIS 28 Cb 0.51 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 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 1.52 1.98 0.00 0.41 3.02 -1.26 -4.59 115.26 116.35 1wr7 n ASN 29 Ca 0.25 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1wr7 n ASN 29 Cb 0.68 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.95 0.00 -2.81 3.41 -2.24 -1.26 -5.05 114.28 102.39 1wr7 n THR 30 Ca -0.38 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 60.85 1wr7 n THR 30 Cb 0.88 1.06 0.04 0.00 -2.10 0.00 0.00 70.33 70.20 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 -0.08 -1.51 -4.75 -0.78 4.01 -0.75 -5.06 118.16 109.24 1wr7 n LYS 31 Ca 0.00 0.87 -0.27 0.00 -0.51 0.00 0.00 58.31 58.40 1wr7 n LYS 31 Cb 0.01 -4.84 -0.14 0.00 -0.51 0.00 0.00 35.03 29.55 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 -3.20 1.86 -0.39 -0.18 2.01 -1.08 -4.95 115.64 109.71 1wr7 s THR 32 Ca 0.24 -1.27 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1wr7 s THR 32 Cb -0.03 -1.60 0.09 0.00 0.01 0.00 0.00 72.50 70.97 1wr7 s THR 32 CO 0.57 0.27 0.18 0.42 -0.69 0.00 0.00 174.62 175.37 1wr7 s THR 33 N -0.80 3.48 0.12 -0.82 -4.23 -1.26 -0.33 115.64 111.81 1wr7 s THR 33 Ca 0.09 -1.74 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1wr7 s THR 33 Cb -0.09 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1wr7 s THR 33 CO 0.02 -0.52 -0.23 0.28 -0.54 0.00 0.00 174.62 173.63 1wr7 s THR 34 N 1.24 1.95 -2.27 3.99 -1.32 -0.90 -4.98 115.64 113.35 1wr7 s THR 34 Ca 0.04 -1.68 0.25 0.00 -1.21 0.00 0.00 61.69 59.09 1wr7 s THR 34 Cb -0.22 -1.76 0.22 0.00 -1.51 0.00 0.00 72.50 69.22 1wr7 s THR 34 CO -0.02 -0.03 1.39 0.79 -2.21 0.00 0.00 174.62 174.53 1wr7 n TRP 35 N 0.91 0.00 -2.95 9.09 7.02 -1.26 0.79 117.44 131.04 1wr7 n TRP 35 Ca -0.18 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.87 1wr7 n TRP 35 Cb 0.54 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 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 -2.28 3.17 -0.06 -0.99 2.02 -1.26 -4.78 118.70 114.51 1wr7 s GLU 36 Ca 0.26 -0.75 -0.33 0.00 0.02 0.00 0.00 54.97 54.17 1wr7 s GLU 36 Cb 0.19 -4.16 -0.11 0.00 0.10 0.00 0.00 34.13 30.16 1wr7 s GLU 36 CO 0.45 -1.56 1.89 -3.47 0.02 0.00 0.00 175.26 172.59 1wr7 n ASP 37 N 7.13 3.57 0.06 -0.19 2.03 -1.26 -4.85 116.55 123.03 1wr7 n ASP 37 Ca -0.04 0.96 0.06 0.00 0.52 0.00 0.00 54.79 56.30 1wr7 n ASP 37 Cb 0.46 -1.40 0.29 0.00 -0.72 0.00 0.00 41.12 39.74 1wr7 n ASP 37 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wr7 n PRO 38 N 6.69 0.06 0.00 -0.67 -0.04 -1.26 -0.98 135.00 138.80 1wr7 n PRO 38 Ca 0.22 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 1wr7 n PRO 38 Cb 0.31 -1.66 0.47 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.78 1.18 0.09 0.54 5.12 -1.26 -3.59 116.66 116.96 1wr7 n ARG 39 Ca 0.01 -0.67 0.13 0.00 -1.93 0.00 0.00 57.85 55.40 1wr7 n ARG 39 Cb 0.09 -1.49 0.42 0.00 -1.16 0.00 0.00 32.46 30.33 1wr7 n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wr7 n LEU 40 N -0.33 0.71 0.00 0.55 4.77 -0.15 -5.18 117.00 117.37 1wr7 n LEU 40 Ca 0.15 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1wr7 n LEU 40 Cb 0.34 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1wr7 n LEU 40 CO 0.22 -0.15 0.00 2.29 -1.33 0.00 0.00 177.39 178.41