#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 3.99 -0.75 1.61 1.04 -1.26 -4.86 113.70 113.46 1wr7 s SER 2 Ca 0.00 1.67 -0.05 0.00 0.48 0.00 0.00 55.95 58.06 1wr7 s SER 2 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1wr7 s SER 2 CO 0.00 -2.34 1.92 -2.65 0.98 0.00 0.00 173.24 171.14 1wr7 n PRO 3 N -3.71 1.72 0.00 4.02 -0.02 -1.26 -4.56 135.00 131.19 1wr7 n PRO 3 Ca 0.08 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.28 1wr7 n PRO 3 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 3.80 4.29 2.28 -1.23 0.00 -1.26 -5.01 105.19 108.06 1wr7 n GLY 4 Ca 0.37 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.98 4.17 -3.77 -0.61 5.41 -1.26 -4.73 119.36 117.58 1wr7 n ILE 5 Ca 0.00 -2.58 0.00 0.00 1.00 0.00 0.00 62.75 61.17 1wr7 n ILE 5 Cb 0.00 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 36.50 1wr7 n ILE 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wr7 n GLN 6 N 3.13 0.08 -2.20 0.38 10.64 -1.26 -5.16 117.38 123.00 1wr7 n GLN 6 Ca 0.70 -0.23 -0.31 0.00 -1.83 0.00 0.00 57.00 55.33 1wr7 n GLN 6 Cb 0.36 0.34 -0.01 0.00 -0.86 0.00 0.00 30.24 30.07 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wr7 s SER 7 N -1.62 6.42 -0.01 2.61 0.01 -1.26 -4.87 113.70 114.99 1wr7 s SER 7 Ca 0.06 1.44 0.01 0.00 1.31 0.00 0.00 55.95 58.78 1wr7 s SER 7 Cb -0.00 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.80 1wr7 s SER 7 CO 0.00 -0.70 0.86 0.33 0.41 0.00 0.00 173.24 174.13 1wr7 n PHE 8 N -2.13 0.08 -3.34 2.43 -0.00 -1.26 -4.78 117.46 108.47 1wr7 n PHE 8 Ca 0.06 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.45 57.28 1wr7 n PHE 8 Cb 0.54 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.48 39.96 1wr7 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1wr7 s LEU 9 N -0.68 3.54 0.64 -2.13 1.43 -1.26 -5.04 118.68 115.18 1wr7 s LEU 9 Ca 0.03 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 1wr7 s LEU 9 Cb 0.02 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1wr7 s LEU 9 CO 0.02 -0.67 0.94 -2.65 0.23 0.00 0.00 176.35 174.22 1wr7 n PRO 10 N -1.67 0.77 -0.06 1.29 -0.02 -1.26 -4.84 135.00 129.21 1wr7 n PRO 10 Ca 0.05 0.31 0.25 0.00 -2.02 0.00 0.00 63.50 62.09 1wr7 n PRO 10 Cb 0.60 -2.17 0.72 0.00 -0.02 0.00 0.00 33.50 32.64 1wr7 n PRO 10 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wr7 h PRO 11 N 0.26 0.00 0.00 0.52 0.11 -1.99 0.19 132.00 131.10 1wr7 h PRO 11 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wr7 h PRO 11 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1wr7 h PRO 11 CO 0.49 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 1wr7 n GLY 12 N -1.61 -1.55 3.63 -0.55 0.00 -1.26 -4.73 105.19 99.11 1wr7 n GLY 12 Ca 0.14 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.11 3.30 -0.31 1.61 0.52 0.67 -0.14 118.94 121.48 1wr7 s TRP 13 Ca 0.10 0.63 0.02 0.00 0.02 0.00 0.00 56.10 56.88 1wr7 s TRP 13 Cb 0.13 -2.67 0.08 0.00 -1.15 0.00 0.00 33.47 29.86 1wr7 s TRP 13 CO 0.53 -0.21 -0.01 -2.00 0.02 0.00 0.00 176.95 175.28 1wr7 s GLU 14 N 2.04 1.98 -0.06 4.98 2.12 0.53 -4.83 118.70 125.46 1wr7 s GLU 14 Ca 0.21 -1.57 -0.27 0.00 0.36 0.00 0.00 54.97 53.71 1wr7 s GLU 14 Cb -0.15 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1wr7 s GLU 14 CO 0.09 -0.75 0.85 0.00 -0.54 0.00 0.00 175.26 174.91 1wr7 s MET 15 N 1.06 4.46 0.10 4.30 0.23 -1.26 -0.74 119.30 127.46 1wr7 s MET 15 Ca 0.00 1.15 0.06 0.00 -1.03 0.00 0.00 55.69 55.87 1wr7 s MET 15 Cb -0.20 -3.48 -0.03 0.00 -1.53 0.00 0.00 34.83 29.59 1wr7 s MET 15 CO -0.05 -0.07 -0.15 1.03 -2.03 0.00 0.00 175.02 173.75 1wr7 s ARG 16 N 1.17 0.99 -0.38 3.16 3.00 0.11 -4.95 118.95 122.05 1wr7 s ARG 16 Ca 0.44 -1.14 -0.13 0.00 0.00 0.00 0.00 55.73 54.90 1wr7 s ARG 16 Cb -0.19 -0.98 0.01 0.00 0.00 0.00 0.00 34.95 33.79 1wr7 s ARG 16 CO 0.21 0.21 0.25 0.42 0.00 0.00 0.00 175.30 176.39 1wr7 s ILE 17 N -1.68 5.00 0.58 1.52 -1.09 -1.26 0.56 121.20 124.83 1wr7 s ILE 17 Ca 0.05 -0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 57.71 1wr7 s ILE 17 Cb -0.07 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1wr7 s ILE 17 CO 0.03 -0.20 1.03 0.00 -1.23 0.00 0.00 174.94 174.58 1wr7 s ALA 18 N 1.64 2.88 -1.22 9.38 0.00 -1.07 -4.91 121.76 128.46 1wr7 s ALA 18 Ca 0.04 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1wr7 s ALA 18 Cb -0.19 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1wr7 s ALA 18 CO 0.09 -0.66 0.92 -2.30 0.00 0.00 0.00 175.76 173.81 1wr7 n PRO 19 N -2.09 0.01 0.26 0.00 -0.02 -1.26 -0.52 135.00 131.38 1wr7 n PRO 19 Ca 0.08 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1wr7 n PRO 19 Cb 0.53 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 33.13 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 -2.03 -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 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1wr7 h ASN 20 CO 0.00 0.08 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 1wr7 n GLY 21 N 0.04 0.55 3.41 2.83 0.00 0.33 -5.05 105.19 107.30 1wr7 n GLY 21 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.59 0.11 1.61 1.81 -1.24 -4.93 118.95 119.00 1wr7 s ARG 22 Ca 0.00 -0.52 -0.33 0.00 -1.72 0.00 0.00 55.73 53.16 1wr7 s ARG 22 Cb 0.00 -3.22 -0.12 0.00 -0.45 0.00 0.00 34.95 31.16 1wr7 s ARG 22 CO 0.00 -0.16 1.73 -2.30 -0.68 0.00 0.00 175.30 173.88 1wr7 n PRO 23 N 4.80 2.41 -5.20 3.54 -0.02 -1.26 -2.59 135.00 136.68 1wr7 n PRO 23 Ca -0.17 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1wr7 n PRO 23 Cb 0.51 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.05 2.28 -0.32 6.00 -0.12 0.19 -4.58 117.98 123.47 1wr7 s PHE 24 Ca 0.82 -0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 57.00 1wr7 s PHE 24 Cb -0.61 -1.49 0.00 0.00 -0.63 0.00 0.00 43.02 40.30 1wr7 s PHE 24 CO 0.40 -0.16 0.16 -0.06 -0.05 0.00 0.00 175.22 175.50 1wr7 s PHE 25 N -0.26 3.19 -0.29 3.49 0.40 0.28 0.09 117.98 124.88 1wr7 s PHE 25 Ca 0.00 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.50 1wr7 s PHE 25 Cb -0.12 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1wr7 s PHE 25 CO 0.02 -0.51 0.29 -1.50 0.70 0.00 0.00 175.22 174.22 1wr7 s ILE 26 N 1.59 5.24 -0.25 0.64 -1.16 0.08 -1.49 121.20 125.85 1wr7 s ILE 26 Ca 0.04 0.25 -0.22 0.00 -0.51 0.00 0.00 60.65 60.21 1wr7 s ILE 26 Cb -0.17 -3.65 -0.01 0.00 0.61 0.00 0.00 42.46 39.23 1wr7 s ILE 26 CO 0.06 0.14 0.72 -0.62 -2.81 0.00 0.00 174.94 172.42 1wr7 s ASP 27 N 1.71 6.69 0.00 4.50 2.15 0.09 -0.35 116.67 131.46 1wr7 s ASP 27 Ca 0.10 0.85 0.29 0.00 0.43 0.00 0.00 52.55 54.22 1wr7 s ASP 27 Cb -0.16 -2.38 1.24 0.00 -0.30 0.00 0.00 42.92 41.32 1wr7 s ASP 27 CO 0.11 -0.43 1.86 1.41 -0.17 0.00 0.00 175.17 177.94 1wr7 n HIS 28 N 5.84 0.00 -0.06 -5.34 8.25 0.80 -0.36 115.22 124.35 1wr7 n HIS 28 Ca 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1wr7 n HIS 28 Cb 0.48 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 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 0.74 0.00 0.62 0.41 2.35 -1.92 -3.37 115.58 114.41 1wr7 h ASN 29 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1wr7 h ASN 29 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1wr7 h ASN 29 CO 0.00 0.65 -0.66 0.35 -1.65 0.00 0.00 177.43 176.12 1wr7 n THR 30 N -4.72 0.17 -3.27 2.81 -2.24 -1.25 -4.98 114.28 100.80 1wr7 n THR 30 Ca -0.03 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1wr7 n THR 30 Cb 0.14 0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.82 -4.21 -4.23 -0.78 5.02 0.51 -5.04 118.16 107.61 1wr7 n LYS 31 Ca 0.04 0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 56.96 1wr7 n LYS 31 Cb 0.39 -5.68 -0.11 0.00 -0.02 0.00 0.00 35.03 29.61 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 -3.36 1.33 -0.22 -0.18 2.01 -0.97 -4.97 115.64 109.29 1wr7 s THR 32 Ca 0.22 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.63 1wr7 s THR 32 Cb -0.03 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1wr7 s THR 32 CO 0.70 -0.32 -0.12 0.42 -0.69 0.00 0.00 174.62 174.61 1wr7 s THR 33 N -1.79 2.46 0.05 -0.82 -4.23 -1.26 -0.73 115.64 109.32 1wr7 s THR 33 Ca 0.06 -1.07 0.08 0.00 -1.18 0.00 0.00 61.69 59.58 1wr7 s THR 33 Cb -0.07 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1wr7 s THR 33 CO 0.03 0.30 -0.23 0.28 -0.54 0.00 0.00 174.62 174.47 1wr7 s THR 34 N 1.28 1.82 -0.24 3.99 -1.32 -0.55 -4.97 115.64 115.65 1wr7 s THR 34 Ca 0.01 -1.30 0.22 0.00 -1.21 0.00 0.00 61.69 59.42 1wr7 s THR 34 Cb -0.16 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.26 1wr7 s THR 34 CO -0.08 0.23 1.06 -0.50 -2.21 0.00 0.00 174.62 173.12 1wr7 h TRP 35 N 4.76 0.00 -3.68 9.09 4.06 -1.85 0.80 115.95 129.13 1wr7 h TRP 35 Ca -0.44 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 59.93 1wr7 h TRP 35 Cb 1.16 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.23 1wr7 h TRP 35 CO 0.51 0.00 0.74 -1.21 -3.56 0.00 0.00 178.44 174.92 1wr7 s GLU 36 N -3.36 3.63 -0.21 0.49 0.41 -1.26 -4.69 118.70 113.71 1wr7 s GLU 36 Ca -0.00 0.35 -0.38 0.00 -0.41 0.00 0.00 54.97 54.52 1wr7 s GLU 36 Cb 0.09 -3.92 -0.15 0.00 -1.78 0.00 0.00 34.13 28.38 1wr7 s GLU 36 CO 0.79 -1.29 1.76 -3.47 -0.49 0.00 0.00 175.26 172.55 1wr7 n ASP 37 N 7.46 2.62 0.08 -0.19 2.03 -1.26 -4.84 116.55 122.45 1wr7 n ASP 37 Ca 0.09 1.05 0.08 0.00 0.52 0.00 0.00 54.79 56.53 1wr7 n ASP 37 Cb 0.49 -1.20 0.36 0.00 -0.72 0.00 0.00 41.12 40.05 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 5.51 0.09 0.05 -0.67 -0.04 -1.26 -0.68 135.00 138.00 1wr7 n PRO 38 Ca 0.25 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.31 1wr7 n PRO 38 Cb 0.17 -1.74 0.46 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.92 0.10 -0.00 0.54 5.12 -1.26 -2.32 116.66 116.91 1wr7 n ARG 39 Ca 0.01 0.21 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1wr7 n ARG 39 Cb 0.09 -1.65 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 1wr7 n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1wr7 h LEU 40 N 0.00 0.09 0.00 0.55 3.38 -1.26 -3.55 115.31 114.51 1wr7 h LEU 40 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wr7 h LEU 40 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wr7 h LEU 40 CO 0.00 1.15 0.00 2.29 0.09 0.00 0.00 178.44 181.97