#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 6.39 0.92 1.61 0.01 -1.26 -5.06 113.70 116.32 1wr7 s SER 2 Ca 0.00 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 1wr7 s SER 2 Cb 0.00 -2.29 0.15 0.00 0.21 0.00 0.00 66.02 64.08 1wr7 s SER 2 CO 0.00 -0.46 1.09 -2.84 0.41 0.00 0.00 173.24 171.44 1wr7 s PRO 3 N 2.48 1.00 -1.36 12.44 0.02 -1.26 -4.90 135.00 143.42 1wr7 s PRO 3 Ca 0.21 1.05 -0.16 0.00 0.02 0.00 0.00 61.00 62.12 1wr7 s PRO 3 Cb -0.15 -1.76 0.07 0.00 0.02 0.00 0.00 34.50 32.68 1wr7 s PRO 3 CO 0.13 -2.48 1.93 0.41 -0.33 0.00 0.00 177.00 176.65 1wr7 n GLY 4 N -0.52 3.51 2.74 0.52 0.00 -1.26 -4.71 105.19 105.47 1wr7 n GLY 4 Ca 0.08 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1wr7 n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wr7 n ILE 5 N 5.57 2.75 0.00 -0.61 -6.64 -1.26 -2.66 119.36 116.50 1wr7 n ILE 5 Ca 0.49 -5.30 0.00 0.00 -1.77 0.00 0.00 62.75 56.17 1wr7 n ILE 5 Cb 0.42 -1.32 0.00 0.00 -1.44 0.00 0.00 39.64 37.30 1wr7 n ILE 5 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1wr7 n GLN 6 N -0.34 2.05 -0.00 6.28 7.27 -1.26 -4.90 117.38 126.48 1wr7 n GLN 6 Ca 0.34 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.55 1wr7 n GLN 6 Cb 0.51 0.00 0.82 0.00 2.41 0.00 0.00 30.24 33.98 1wr7 n GLN 6 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1wr7 n SER 7 N 0.00 0.12 0.00 1.69 7.64 -1.26 -4.85 113.62 116.97 1wr7 n SER 7 Ca 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1wr7 n SER 7 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wr7 n SER 7 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wr7 n PHE 8 N -0.86 0.00 -3.84 1.43 3.72 -1.26 -5.19 117.46 111.47 1wr7 n PHE 8 Ca 0.21 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.41 1wr7 n PHE 8 Cb 0.12 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1wr7 n PHE 8 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wr7 n LEU 9 N 0.00 0.00 -4.53 4.37 4.32 -1.26 -4.58 117.00 115.32 1wr7 n LEU 9 Ca 0.00 -2.19 -0.34 0.00 -0.02 0.00 0.00 56.01 53.46 1wr7 n LEU 9 Cb 0.00 -0.01 0.11 0.00 -1.62 0.00 0.00 43.42 41.90 1wr7 n LEU 9 CO 0.00 -0.50 0.27 -2.65 -1.22 0.00 0.00 177.39 173.29 1wr7 n PRO 10 N -1.45 -0.01 -0.28 3.23 -0.02 -1.09 -4.77 135.00 130.62 1wr7 n PRO 10 Ca -0.03 0.06 0.21 0.00 -2.02 0.00 0.00 63.50 61.72 1wr7 n PRO 10 Cb 0.48 -2.07 0.51 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.08 0.39 -0.09 0.52 0.11 -1.99 0.15 132.00 130.00 1wr7 h PRO 11 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wr7 h PRO 11 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wr7 h PRO 11 CO 0.40 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1wr7 n GLY 12 N -1.50 -0.40 3.40 -0.55 0.00 -1.26 -4.74 105.19 100.13 1wr7 n GLY 12 Ca 0.22 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.88 3.04 -0.33 1.61 0.52 0.51 0.26 118.94 122.67 1wr7 s TRP 13 Ca 0.25 -0.61 -0.08 0.00 0.02 0.00 0.00 56.10 55.68 1wr7 s TRP 13 Cb 0.12 -2.19 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 1wr7 s TRP 13 CO 0.19 -0.43 0.13 -2.00 0.02 0.00 0.00 176.95 174.86 1wr7 s GLU 14 N 1.57 2.85 -0.10 4.98 2.12 -0.23 -4.73 118.70 125.16 1wr7 s GLU 14 Ca 0.06 -1.03 -0.26 0.00 0.36 0.00 0.00 54.97 54.10 1wr7 s GLU 14 Cb -0.15 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1wr7 s GLU 14 CO 0.01 -0.59 0.82 0.00 -0.54 0.00 0.00 175.26 174.96 1wr7 s MET 15 N 1.48 4.40 -0.02 4.30 0.23 -1.26 -0.20 119.30 128.23 1wr7 s MET 15 Ca 0.01 1.06 0.01 0.00 -1.03 0.00 0.00 55.69 55.73 1wr7 s MET 15 Cb -0.19 -3.51 0.02 0.00 -1.53 0.00 0.00 34.83 29.62 1wr7 s MET 15 CO 0.04 -0.13 -0.02 1.03 -2.03 0.00 0.00 175.02 173.90 1wr7 s ARG 16 N 1.44 0.42 -0.24 3.16 0.52 0.85 -4.99 118.95 120.11 1wr7 s ARG 16 Ca 0.41 -0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 1wr7 s ARG 16 Cb -0.18 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 1wr7 s ARG 16 CO 0.18 -0.04 0.74 0.42 0.02 0.00 0.00 175.30 176.61 1wr7 s ILE 17 N 0.60 4.91 0.33 1.52 -1.09 -1.26 -0.20 121.20 126.01 1wr7 s ILE 17 Ca -0.06 1.38 -0.20 0.00 -2.23 0.00 0.00 60.65 59.53 1wr7 s ILE 17 Cb -0.10 -4.03 -0.10 0.00 -1.58 0.00 0.00 42.46 36.65 1wr7 s ILE 17 CO -0.01 -0.02 0.84 0.00 -1.23 0.00 0.00 174.94 174.52 1wr7 s ALA 18 N 2.61 3.24 -1.89 9.38 0.00 -0.78 -4.94 121.76 129.37 1wr7 s ALA 18 Ca 0.31 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1wr7 s ALA 18 Cb -0.15 -2.97 0.40 0.00 0.00 0.00 0.00 23.12 20.39 1wr7 s ALA 18 CO 0.08 0.24 0.91 -2.30 0.00 0.00 0.00 175.76 174.69 1wr7 n PRO 19 N -0.05 0.19 0.08 0.00 -0.02 -1.26 -1.19 135.00 132.75 1wr7 n PRO 19 Ca 0.03 0.04 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 1wr7 n PRO 19 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 1wr7 n PRO 19 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1wr7 h ASN 20 N 0.00 0.00 0.00 2.55 7.08 -2.03 -3.47 115.58 119.71 1wr7 h ASN 20 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1wr7 h ASN 20 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1wr7 h ASN 20 CO 0.00 0.90 0.00 0.61 -2.08 0.00 0.00 177.43 176.86 1wr7 n GLY 21 N 1.31 0.78 3.44 9.14 0.00 -0.33 -5.11 105.19 114.42 1wr7 n GLY 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.62 0.17 1.61 1.70 -1.24 -4.95 118.95 119.86 1wr7 s ARG 22 Ca 0.00 -0.52 -0.32 0.00 -0.47 0.00 0.00 55.73 54.43 1wr7 s ARG 22 Cb 0.00 -3.11 -0.11 0.00 -0.57 0.00 0.00 34.95 31.16 1wr7 s ARG 22 CO 0.00 -0.02 1.72 -2.14 -1.08 0.00 0.00 175.30 173.78 1wr7 s PRO 23 N 1.09 4.15 0.11 3.89 0.02 -1.26 -1.87 135.00 141.12 1wr7 s PRO 23 Ca 0.03 2.54 0.10 0.00 0.02 0.00 0.00 61.00 63.69 1wr7 s PRO 23 Cb -0.14 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1wr7 s PRO 23 CO 0.02 -0.75 -0.26 -0.59 -0.33 0.00 0.00 177.00 175.09 1wr7 s PHE 24 N 1.68 2.33 -0.28 6.54 -0.12 0.72 -4.67 117.98 124.19 1wr7 s PHE 24 Ca 0.75 -0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 57.24 1wr7 s PHE 24 Cb -0.47 -1.30 0.04 0.00 -0.63 0.00 0.00 43.02 40.66 1wr7 s PHE 24 CO 0.33 0.29 -0.02 -0.06 -0.05 0.00 0.00 175.22 175.70 1wr7 s PHE 25 N -1.00 3.16 -0.39 3.49 0.08 0.25 -0.10 117.98 123.46 1wr7 s PHE 25 Ca 0.14 -1.65 -0.18 0.00 0.12 0.00 0.00 56.93 55.36 1wr7 s PHE 25 Cb -0.10 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1wr7 s PHE 25 CO 0.05 -0.75 0.48 -1.50 -0.10 0.00 0.00 175.22 173.40 1wr7 s ILE 26 N 1.31 5.04 -0.05 0.64 -1.16 0.72 -2.02 121.20 125.67 1wr7 s ILE 26 Ca -0.02 -0.04 -0.30 0.00 -0.51 0.00 0.00 60.65 59.79 1wr7 s ILE 26 Cb -0.18 -4.02 -0.02 0.00 0.61 0.00 0.00 42.46 38.85 1wr7 s ILE 26 CO -0.02 -0.35 1.04 -0.62 -2.81 0.00 0.00 174.94 172.18 1wr7 s ASP 27 N 1.82 7.25 -0.03 4.50 2.15 0.47 -1.07 116.67 131.76 1wr7 s ASP 27 Ca 0.15 1.65 0.21 0.00 0.43 0.00 0.00 52.55 55.00 1wr7 s ASP 27 Cb -0.16 -2.56 0.66 0.00 -0.30 0.00 0.00 42.92 40.56 1wr7 s ASP 27 CO 0.14 -0.41 1.56 1.41 -0.17 0.00 0.00 175.17 177.70 1wr7 n HIS 28 N 4.59 1.11 -0.11 -5.34 8.25 0.14 -1.88 115.22 121.97 1wr7 n HIS 28 Ca 0.08 -0.53 -0.25 0.00 -0.26 0.00 0.00 57.72 56.76 1wr7 n HIS 28 Cb 0.49 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.42 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 1.49 1.93 -0.23 0.41 3.02 -1.26 -4.57 115.26 116.05 1wr7 n ASN 29 Ca 0.25 0.34 0.03 0.00 -0.03 0.00 0.00 54.58 55.16 1wr7 n ASN 29 Cb 0.69 -0.87 0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -4.23 0.25 -3.04 3.41 -2.24 -1.26 -5.04 114.28 102.13 1wr7 n THR 30 Ca -0.42 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 60.67 1wr7 n THR 30 Cb 0.81 0.96 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.21 -1.63 -4.68 -0.78 4.01 -0.79 -5.05 118.16 109.45 1wr7 n LYS 31 Ca 0.04 1.16 -0.24 0.00 -0.51 0.00 0.00 58.31 58.76 1wr7 n LYS 31 Cb 0.18 -5.53 -0.15 0.00 -0.51 0.00 0.00 35.03 29.02 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 -3.16 1.38 -0.48 -0.18 2.01 -1.01 -4.96 115.64 109.24 1wr7 s THR 32 Ca 0.19 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 1wr7 s THR 32 Cb -0.03 -1.18 0.12 0.00 0.01 0.00 0.00 72.50 71.43 1wr7 s THR 32 CO 0.70 0.26 0.33 0.42 -0.69 0.00 0.00 174.62 175.65 1wr7 s THR 33 N -0.58 4.03 0.16 -0.82 -4.23 -1.26 -0.40 115.64 112.54 1wr7 s THR 33 Ca 0.06 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1wr7 s THR 33 Cb -0.07 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1wr7 s THR 33 CO 0.00 -0.77 -0.20 0.28 -0.54 0.00 0.00 174.62 173.39 1wr7 s THR 34 N 1.20 2.62 -0.74 3.99 -1.32 -0.86 -4.96 115.64 115.57 1wr7 s THR 34 Ca 0.07 -1.76 0.23 0.00 -1.21 0.00 0.00 61.69 59.02 1wr7 s THR 34 Cb -0.25 -2.23 -0.14 0.00 -1.51 0.00 0.00 72.50 68.37 1wr7 s THR 34 CO -0.02 -0.01 1.02 0.79 -2.21 0.00 0.00 174.62 174.19 1wr7 n TRP 35 N 0.51 0.13 -3.02 9.09 7.02 -1.26 0.84 117.44 130.75 1wr7 n TRP 35 Ca -0.14 0.04 -0.41 0.00 -1.02 0.00 0.00 57.50 55.97 1wr7 n TRP 35 Cb 0.54 -0.29 -0.05 0.00 -2.42 0.00 0.00 31.31 29.09 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 -3.13 4.21 -0.18 -0.99 0.41 -1.26 -4.73 118.70 113.02 1wr7 s GLU 36 Ca 0.05 0.76 -0.29 0.00 -0.41 0.00 0.00 54.97 55.08 1wr7 s GLU 36 Cb 0.15 -3.60 -0.03 0.00 -1.78 0.00 0.00 34.13 28.88 1wr7 s GLU 36 CO 0.81 -0.33 1.52 0.34 -0.49 0.00 0.00 175.26 177.11 1wr7 s ASP 37 N 1.25 6.58 0.00 -0.19 2.15 -1.26 -4.86 116.67 120.34 1wr7 s ASP 37 Ca 0.32 1.72 0.00 0.00 0.43 0.00 0.00 52.55 55.01 1wr7 s ASP 37 Cb -0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1wr7 s ASP 37 CO 0.10 -1.07 0.62 -0.81 -0.17 0.00 0.00 175.17 173.84 1wr7 n PRO 38 N 7.31 0.84 -0.00 4.34 -0.04 -1.26 -1.56 135.00 144.62 1wr7 n PRO 38 Ca 0.17 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1wr7 n PRO 38 Cb 0.45 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.20 1.21 0.07 0.54 5.12 -1.26 -4.29 116.66 117.85 1wr7 n ARG 39 Ca 0.00 -0.08 0.12 0.00 -1.93 0.00 0.00 57.85 55.96 1wr7 n ARG 39 Cb 0.11 -1.29 0.14 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.00 -0.64 0.55 3.38 -1.69 -3.53 115.31 113.38 1wr7 h LEU 40 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wr7 h LEU 40 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wr7 h LEU 40 CO 0.00 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.91