#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 1.07 0.00 1.61 1.04 -1.26 -5.07 113.70 111.09 1wr7 s SER 2 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wr7 s SER 2 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1wr7 s SER 2 CO 0.00 -0.26 0.46 -0.81 0.98 0.00 0.00 173.24 173.61 1wr7 n PRO 3 N 5.31 0.00 -2.97 4.02 -0.04 -1.26 -4.80 135.00 135.26 1wr7 n PRO 3 Ca -0.04 0.37 -0.16 0.00 -0.04 0.00 0.00 63.50 63.63 1wr7 n PRO 3 Cb 0.50 -1.13 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1wr7 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wr7 n GLY 4 N 0.54 1.62 3.31 0.55 0.00 -1.26 -5.13 105.19 104.81 1wr7 n GLY 4 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1wr7 n GLY 4 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wr7 s ILE 5 N -0.44 0.18 -0.76 -0.61 -4.36 -1.26 -5.09 121.20 108.86 1wr7 s ILE 5 Ca 0.33 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.45 1wr7 s ILE 5 Cb 0.23 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.47 1wr7 s ILE 5 CO -0.15 0.00 1.29 -1.10 0.24 0.00 0.00 174.94 175.21 1wr7 s GLN 6 N -3.76 3.21 0.00 0.37 -0.21 -1.26 -4.82 119.66 113.20 1wr7 s GLN 6 Ca 0.37 -0.30 0.30 0.00 0.02 0.00 0.00 55.36 55.75 1wr7 s GLN 6 Cb 0.04 -4.25 1.41 0.00 1.00 0.00 0.00 33.01 31.21 1wr7 s GLN 6 CO 0.20 -2.15 1.97 0.43 -2.12 0.00 0.00 175.29 173.62 1wr7 n SER 7 N 9.33 0.25 -4.06 5.90 7.64 -1.26 -4.84 113.62 126.58 1wr7 n SER 7 Ca 0.05 -0.45 -0.09 0.00 1.01 0.00 0.00 58.87 59.39 1wr7 n SER 7 Cb 0.49 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 1wr7 n SER 7 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1wr7 s PHE 8 N -2.47 0.62 0.89 1.43 5.36 -1.26 -5.17 117.98 117.38 1wr7 s PHE 8 Ca 0.31 -1.02 -0.14 0.00 -0.96 0.00 0.00 56.93 55.11 1wr7 s PHE 8 Cb 0.20 -0.31 0.14 0.00 -0.34 0.00 0.00 43.02 42.71 1wr7 s PHE 8 CO 0.46 -0.56 1.25 -0.51 -1.46 0.00 0.00 175.22 174.41 1wr7 s LEU 9 N -2.99 2.60 0.36 6.12 1.02 -1.26 -4.98 118.68 119.54 1wr7 s LEU 9 Ca 0.18 0.52 -0.28 0.00 0.02 0.00 0.00 54.13 54.57 1wr7 s LEU 9 Cb 0.06 -2.78 -0.12 0.00 0.02 0.00 0.00 46.19 43.38 1wr7 s LEU 9 CO -0.02 -2.35 1.40 -2.65 0.02 0.00 0.00 176.35 172.75 1wr7 n PRO 10 N -3.56 2.42 -1.64 1.29 -0.02 -1.26 -4.83 135.00 127.41 1wr7 n PRO 10 Ca 0.12 0.85 -0.55 0.00 -2.02 0.00 0.00 63.50 61.89 1wr7 n PRO 10 Cb 0.60 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1wr7 n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wr7 n PRO 11 N 0.48 1.21 0.00 0.52 -0.02 -1.26 -1.25 135.00 134.69 1wr7 n PRO 11 Ca 0.03 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wr7 n PRO 11 Cb 0.38 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 4.86 1.46 3.62 -1.23 0.00 -1.26 -4.85 105.19 107.78 1wr7 n GLY 12 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 2.81 -0.39 1.61 0.52 -0.38 -0.28 118.94 121.34 1wr7 s TRP 13 Ca 0.00 0.86 -0.08 0.00 0.02 0.00 0.00 56.10 56.90 1wr7 s TRP 13 Cb 0.00 -4.13 0.06 0.00 -1.15 0.00 0.00 33.47 28.25 1wr7 s TRP 13 CO 0.00 -1.33 0.21 -2.00 0.02 0.00 0.00 176.95 173.85 1wr7 s GLU 14 N 4.27 2.61 0.06 4.98 2.12 0.07 -4.82 118.70 127.99 1wr7 s GLU 14 Ca 0.51 -1.35 -0.28 0.00 0.36 0.00 0.00 54.97 54.21 1wr7 s GLU 14 Cb -0.11 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 1wr7 s GLU 14 CO 0.26 -0.85 0.89 0.00 -0.54 0.00 0.00 175.26 175.03 1wr7 s MET 15 N 1.42 4.60 -0.01 4.30 0.23 -1.26 -0.50 119.30 128.08 1wr7 s MET 15 Ca 0.02 1.30 0.02 0.00 -1.03 0.00 0.00 55.69 56.00 1wr7 s MET 15 Cb -0.22 -3.39 -0.00 0.00 -1.53 0.00 0.00 34.83 29.69 1wr7 s MET 15 CO 0.03 0.17 -0.07 1.03 -2.03 0.00 0.00 175.02 174.15 1wr7 s ARG 16 N 0.24 0.60 -0.48 3.16 0.52 0.87 -4.95 118.95 118.92 1wr7 s ARG 16 Ca 0.45 -0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 55.20 1wr7 s ARG 16 Cb -0.22 -0.59 0.03 0.00 0.52 0.00 0.00 34.95 34.70 1wr7 s ARG 16 CO 0.27 0.13 0.76 0.42 0.02 0.00 0.00 175.30 176.90 1wr7 s ILE 17 N -0.05 4.66 0.53 1.52 -1.09 -1.26 0.28 121.20 125.79 1wr7 s ILE 17 Ca 0.01 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.43 1wr7 s ILE 17 Cb -0.04 -4.34 -0.07 0.00 -1.58 0.00 0.00 42.46 36.43 1wr7 s ILE 17 CO -0.00 -0.80 1.03 0.00 -1.23 0.00 0.00 174.94 173.94 1wr7 s ALA 18 N 3.23 2.88 -2.00 9.38 0.00 -0.62 -4.91 121.76 129.72 1wr7 s ALA 18 Ca 0.26 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1wr7 s ALA 18 Cb -0.14 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 19.92 1wr7 s ALA 18 CO 0.19 -0.46 0.46 -0.35 0.00 0.00 0.00 175.76 175.60 1wr7 n PRO 19 N -1.52 0.27 0.07 0.00 -0.04 -1.26 -0.70 135.00 131.83 1wr7 n PRO 19 Ca 0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1wr7 n PRO 19 Cb 0.53 -1.14 0.05 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.64 0.74 0.00 3.54 0.23 -1.26 -4.94 115.26 112.92 1wr7 n ASN 20 Ca 0.02 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1wr7 n ASN 20 Cb 0.01 0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 1.26 0.85 3.44 4.83 0.00 0.13 -5.09 105.19 110.61 1wr7 n GLY 21 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1wr7 n GLY 21 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wr7 s ARG 22 N -0.54 3.60 0.05 1.61 1.70 -1.22 -4.93 118.95 119.21 1wr7 s ARG 22 Ca 0.00 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 1wr7 s ARG 22 Cb 0.00 -3.07 -0.08 0.00 -0.57 0.00 0.00 34.95 31.23 1wr7 s ARG 22 CO 0.00 0.00 1.72 -2.14 -1.08 0.00 0.00 175.30 173.80 1wr7 s PRO 23 N 1.02 4.18 -0.05 3.89 0.02 -1.26 -1.60 135.00 141.20 1wr7 s PRO 23 Ca 0.02 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.45 1wr7 s PRO 23 Cb -0.14 -3.75 -0.02 0.00 0.02 0.00 0.00 34.50 30.60 1wr7 s PRO 23 CO 0.02 -0.80 -0.15 -0.59 -0.33 0.00 0.00 177.00 175.15 1wr7 s PHE 24 N 3.17 2.69 -0.34 6.54 -0.71 0.14 -4.66 117.98 124.81 1wr7 s PHE 24 Ca 0.77 -0.20 -0.10 0.00 -1.04 0.00 0.00 56.93 56.36 1wr7 s PHE 24 Cb -0.40 -1.64 0.01 0.00 -1.21 0.00 0.00 43.02 39.79 1wr7 s PHE 24 CO 0.34 0.15 0.18 -0.06 -1.34 0.00 0.00 175.22 174.49 1wr7 s PHE 25 N -0.66 3.21 -0.39 3.49 0.08 0.20 -0.09 117.98 123.83 1wr7 s PHE 25 Ca 0.10 -0.82 -0.16 0.00 0.12 0.00 0.00 56.93 56.17 1wr7 s PHE 25 Cb -0.11 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1wr7 s PHE 25 CO 0.01 -0.57 0.38 -1.50 -0.10 0.00 0.00 175.22 173.44 1wr7 s ILE 26 N 1.57 5.15 -0.10 0.64 -1.16 0.34 -1.78 121.20 125.86 1wr7 s ILE 26 Ca 0.03 -0.24 -0.30 0.00 -0.51 0.00 0.00 60.65 59.63 1wr7 s ILE 26 Cb -0.18 -3.93 -0.02 0.00 0.61 0.00 0.00 42.46 38.94 1wr7 s ILE 26 CO 0.06 -0.27 1.11 -0.62 -2.81 0.00 0.00 174.94 172.42 1wr7 s ASP 27 N 1.76 7.13 0.00 4.50 2.15 0.18 -0.75 116.67 131.64 1wr7 s ASP 27 Ca 0.11 1.65 0.24 0.00 0.43 0.00 0.00 52.55 54.97 1wr7 s ASP 27 Cb -0.17 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.52 1wr7 s ASP 27 CO 0.12 -0.55 1.50 1.41 -0.17 0.00 0.00 175.17 177.48 1wr7 n HIS 28 N 5.35 0.20 -0.05 -5.34 8.25 0.62 -1.99 115.22 122.25 1wr7 n HIS 28 Ca 0.10 -0.10 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1wr7 n HIS 28 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 3.29 0.00 -0.02 0.41 2.35 -1.89 -3.41 115.58 116.32 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 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1wr7 h ASN 29 CO 0.00 0.52 -0.09 0.35 -1.65 0.00 0.00 177.43 176.57 1wr7 n THR 30 N -4.12 0.00 -2.39 2.81 -2.24 -1.26 -5.03 114.28 102.05 1wr7 n THR 30 Ca -0.04 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 1wr7 n THR 30 Cb 0.14 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1wr7 n THR 30 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wr7 n LYS 31 N 0.62 -0.93 -4.63 -0.78 4.81 -0.84 -5.07 118.16 111.33 1wr7 n LYS 31 Ca 0.09 1.18 -0.23 0.00 -0.87 0.00 0.00 58.31 58.48 1wr7 n LYS 31 Cb 0.38 -4.02 -0.15 0.00 0.02 0.00 0.00 35.03 31.27 1wr7 n LYS 31 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1wr7 s THR 32 N -2.75 1.24 -0.42 3.15 2.01 -1.05 -4.93 115.64 112.90 1wr7 s THR 32 Ca 0.04 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1wr7 s THR 32 Cb -0.01 -1.06 0.11 0.00 0.01 0.00 0.00 72.50 71.55 1wr7 s THR 32 CO 0.45 0.25 0.18 0.42 -0.69 0.00 0.00 174.62 175.23 1wr7 s THR 33 N -0.52 2.90 0.10 -0.82 -4.23 -1.26 0.51 115.64 112.32 1wr7 s THR 33 Ca 0.05 -2.42 0.09 0.00 -1.18 0.00 0.00 61.69 58.23 1wr7 s THR 33 Cb -0.07 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1wr7 s THR 33 CO 0.00 -0.69 -0.22 0.28 -0.54 0.00 0.00 174.62 173.44 1wr7 s THR 34 N 0.75 1.85 -0.48 3.99 -1.32 -0.74 -4.96 115.64 114.73 1wr7 s THR 34 Ca 0.11 -1.56 0.23 0.00 -1.21 0.00 0.00 61.69 59.27 1wr7 s THR 34 Cb -0.21 -1.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1wr7 s THR 34 CO -0.05 0.01 1.17 -0.50 -2.21 0.00 0.00 174.62 173.04 1wr7 h TRP 35 N 4.12 0.00 -3.24 9.09 4.06 -1.85 0.56 115.95 128.70 1wr7 h TRP 35 Ca -0.47 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 59.92 1wr7 h TRP 35 Cb 1.17 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 1wr7 h TRP 35 CO 0.60 0.00 0.59 -1.21 -3.56 0.00 0.00 178.44 174.86 1wr7 s GLU 36 N -3.25 4.41 -0.12 0.49 0.41 -1.26 -4.75 118.70 114.63 1wr7 s GLU 36 Ca 0.03 1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 55.69 1wr7 s GLU 36 Cb 0.12 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.89 1wr7 s GLU 36 CO 0.76 -0.35 1.37 0.34 -0.49 0.00 0.00 175.26 176.89 1wr7 s ASP 37 N 1.11 6.87 -0.07 -0.19 -1.08 -1.26 -4.86 116.67 117.20 1wr7 s ASP 37 Ca 0.48 1.86 0.12 0.00 -0.52 0.00 0.00 52.55 54.49 1wr7 s ASP 37 Cb -0.18 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 1wr7 s ASP 37 CO 0.17 -0.79 1.31 -0.81 0.52 0.00 0.00 175.17 175.56 1wr7 n PRO 38 N 6.59 2.67 0.05 4.34 -0.04 -1.26 -3.89 135.00 143.45 1wr7 n PRO 38 Ca 0.15 -1.78 0.11 0.00 -0.04 0.00 0.00 63.50 61.93 1wr7 n PRO 38 Cb 0.44 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.64 0.59 0.12 0.54 1.85 -1.26 -4.22 116.66 114.92 1wr7 n ARG 39 Ca 0.16 -0.02 -0.20 0.00 -1.00 0.00 0.00 57.85 56.79 1wr7 n ARG 39 Cb 0.59 -1.68 -0.15 0.00 -1.05 0.00 0.00 32.46 30.17 1wr7 n ARG 39 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1wr7 h LEU 40 N 0.00 0.62 0.00 2.89 3.38 -2.00 -3.51 115.31 116.69 1wr7 h LEU 40 Ca 0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1wr7 h LEU 40 Cb 0.97 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1wr7 h LEU 40 CO 0.00 1.54 0.00 2.29 0.09 0.00 0.00 178.44 182.36