#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 4.24 -0.32 1.61 1.04 -1.26 -5.05 113.70 113.96 1wr7 s SER 2 Ca 0.00 -0.25 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 1wr7 s SER 2 Cb 0.00 -0.88 -0.10 0.00 0.10 0.00 0.00 66.02 65.14 1wr7 s SER 2 CO 0.00 0.28 2.21 -0.81 0.98 0.00 0.00 173.24 175.90 1wr7 n PRO 3 N 1.68 1.30 -0.04 4.02 -0.04 -1.26 -4.82 135.00 135.83 1wr7 n PRO 3 Ca -0.16 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1wr7 n PRO 3 Cb 0.52 -2.68 0.48 0.00 -0.04 0.00 0.00 33.50 31.79 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 6.34 -0.01 3.55 0.55 0.00 -1.26 -4.67 105.19 109.69 1wr7 n GLY 4 Ca 0.38 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 0.09 2.85 0.46 -0.61 -0.00 -1.26 -4.46 119.36 116.42 1wr7 n ILE 5 Ca 0.17 -2.94 0.05 0.00 -0.00 0.00 0.00 62.75 60.03 1wr7 n ILE 5 Cb 0.30 -2.26 -0.01 0.00 -0.00 0.00 0.00 39.64 37.67 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 8.24 2.21 -2.63 6.28 3.00 -1.26 -4.88 117.38 128.33 1wr7 n GLN 6 Ca 0.47 -0.56 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 1wr7 n GLN 6 Cb 0.46 -1.08 -0.03 0.00 0.00 0.00 0.00 30.24 29.59 1wr7 n GLN 6 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wr7 s SER 7 N -1.43 6.42 -0.11 1.08 0.01 -1.26 -4.68 113.70 113.73 1wr7 s SER 7 Ca 0.08 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 56.10 1wr7 s SER 7 Cb 0.08 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1wr7 s SER 7 CO 0.27 -1.51 -0.05 0.49 0.41 0.00 0.00 173.24 172.85 1wr7 n PHE 8 N 8.57 0.00 -4.10 2.43 3.72 -1.26 -5.04 117.46 121.77 1wr7 n PHE 8 Ca 0.22 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.39 1wr7 n PHE 8 Cb 0.50 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 -5.28 3.18 0.92 4.37 1.02 -1.26 -5.06 118.68 116.56 1wr7 s LEU 9 Ca -0.11 -0.92 -0.10 0.00 0.02 0.00 0.00 54.13 53.02 1wr7 s LEU 9 Cb 0.04 -1.59 0.15 0.00 0.02 0.00 0.00 46.19 44.80 1wr7 s LEU 9 CO 0.31 -0.41 1.15 -2.84 0.02 0.00 0.00 176.35 174.58 1wr7 s PRO 10 N -3.87 0.97 0.59 1.29 0.02 -1.26 -4.85 135.00 127.89 1wr7 s PRO 10 Ca 0.39 1.55 0.28 0.00 0.02 0.00 0.00 61.00 63.25 1wr7 s PRO 10 Cb 0.00 -1.72 1.66 0.00 0.02 0.00 0.00 34.50 34.46 1wr7 s PRO 10 CO 0.23 -2.66 2.12 -1.00 -0.33 0.00 0.00 177.00 175.35 1wr7 h PRO 11 N -1.90 0.00 0.00 5.54 0.13 -2.03 0.51 132.00 134.26 1wr7 h PRO 11 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wr7 h PRO 11 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wr7 h PRO 11 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 1wr7 n GLY 12 N -1.40 -1.12 3.62 1.56 0.00 -1.26 -4.71 105.19 101.88 1wr7 n GLY 12 Ca 0.01 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.46 3.21 -0.37 1.61 0.52 0.17 0.50 118.94 122.12 1wr7 s TRP 13 Ca 0.29 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.42 1wr7 s TRP 13 Cb 0.18 -2.02 0.09 0.00 -1.15 0.00 0.00 33.47 30.58 1wr7 s TRP 13 CO 0.40 0.17 0.12 -2.00 0.02 0.00 0.00 176.95 175.65 1wr7 s GLU 14 N 0.19 2.05 -0.06 4.98 2.12 0.04 -4.82 118.70 123.19 1wr7 s GLU 14 Ca 0.03 -1.66 -0.28 0.00 0.36 0.00 0.00 54.97 53.42 1wr7 s GLU 14 Cb -0.13 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1wr7 s GLU 14 CO 0.01 -0.92 0.91 0.00 -0.54 0.00 0.00 175.26 174.72 1wr7 s MET 15 N 1.14 4.47 -0.03 4.30 0.23 -1.26 -0.33 119.30 127.81 1wr7 s MET 15 Ca 0.05 1.24 0.01 0.00 -1.03 0.00 0.00 55.69 55.96 1wr7 s MET 15 Cb -0.21 -3.49 0.02 0.00 -1.53 0.00 0.00 34.83 29.61 1wr7 s MET 15 CO -0.04 -0.12 -0.04 1.03 -2.03 0.00 0.00 175.02 173.81 1wr7 s ARG 16 N 1.34 0.71 -0.45 3.16 0.52 0.56 -4.97 118.95 119.82 1wr7 s ARG 16 Ca 0.46 -0.12 -0.21 0.00 -0.52 0.00 0.00 55.73 55.34 1wr7 s ARG 16 Cb -0.19 -0.73 0.03 0.00 0.52 0.00 0.00 34.95 34.58 1wr7 s ARG 16 CO 0.22 -0.04 0.70 0.42 0.02 0.00 0.00 175.30 176.62 1wr7 s ILE 17 N 0.68 4.75 0.46 1.52 -1.09 -1.26 0.21 121.20 126.47 1wr7 s ILE 17 Ca -0.09 0.17 -0.19 0.00 -2.23 0.00 0.00 60.65 58.31 1wr7 s ILE 17 Cb -0.12 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.40 1wr7 s ILE 17 CO 0.00 -0.68 0.97 0.00 -1.23 0.00 0.00 174.94 174.00 1wr7 s ALA 18 N 3.01 3.03 -1.70 9.38 0.00 -0.74 -4.92 121.76 129.82 1wr7 s ALA 18 Ca 0.25 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1wr7 s ALA 18 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1wr7 s ALA 18 CO 0.20 -0.02 0.33 -2.30 0.00 0.00 0.00 175.76 173.96 1wr7 n PRO 19 N -0.98 0.39 0.00 0.00 -0.02 -1.26 -0.95 135.00 132.18 1wr7 n PRO 19 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1wr7 n PRO 19 Cb 0.54 -1.06 0.03 0.00 -0.02 0.00 0.00 33.50 32.99 1wr7 n PRO 19 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1wr7 n ASN 20 N -0.26 0.96 0.00 2.55 0.23 -1.26 -4.94 115.26 112.54 1wr7 n ASN 20 Ca 0.00 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.22 1wr7 n ASN 20 Cb 0.03 0.68 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 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 1.48 0.84 3.32 4.83 0.00 -0.13 -5.06 105.19 110.47 1wr7 n GLY 21 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.99 2.86 -0.18 1.61 1.81 -1.21 -4.95 118.95 117.91 1wr7 s ARG 22 Ca 0.00 -1.02 -0.29 0.00 -1.72 0.00 0.00 55.73 52.70 1wr7 s ARG 22 Cb 0.00 -3.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 1wr7 s ARG 22 CO 0.00 -0.57 1.85 -2.14 -0.68 0.00 0.00 175.30 173.76 1wr7 s PRO 23 N 1.47 3.66 -0.13 3.54 0.02 -1.26 -1.79 135.00 140.50 1wr7 s PRO 23 Ca 0.01 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 1wr7 s PRO 23 Cb -0.18 -4.16 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 1wr7 s PRO 23 CO 0.03 -1.48 -0.02 -0.59 -0.33 0.00 0.00 177.00 174.62 1wr7 s PHE 24 N 5.97 3.09 -0.31 6.54 -0.12 0.13 -4.69 117.98 128.59 1wr7 s PHE 24 Ca 0.82 -0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 57.53 1wr7 s PHE 24 Cb -0.30 -1.91 -0.01 0.00 -0.63 0.00 0.00 43.02 40.17 1wr7 s PHE 24 CO 0.33 0.17 0.16 -0.06 -0.05 0.00 0.00 175.22 175.77 1wr7 s PHE 25 N -0.09 3.18 -0.39 3.49 0.08 0.20 -0.32 117.98 124.13 1wr7 s PHE 25 Ca 0.03 -0.48 -0.13 0.00 0.12 0.00 0.00 56.93 56.47 1wr7 s PHE 25 Cb -0.13 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1wr7 s PHE 25 CO 0.02 -0.42 0.25 -1.50 -0.10 0.00 0.00 175.22 173.47 1wr7 s ILE 26 N 1.64 4.95 -0.06 0.64 -1.16 0.55 -1.02 121.20 126.74 1wr7 s ILE 26 Ca 0.05 -0.72 -0.30 0.00 -0.51 0.00 0.00 60.65 59.17 1wr7 s ILE 26 Cb -0.17 -3.74 -0.03 0.00 0.61 0.00 0.00 42.46 39.13 1wr7 s ILE 26 CO 0.07 -0.25 1.09 -0.62 -2.81 0.00 0.00 174.94 172.42 1wr7 s ASP 27 N 1.63 7.17 0.00 4.50 2.15 0.19 -0.78 116.67 131.52 1wr7 s ASP 27 Ca 0.04 1.70 0.22 0.00 0.43 0.00 0.00 52.55 54.94 1wr7 s ASP 27 Cb -0.19 -2.56 0.54 0.00 -0.30 0.00 0.00 42.92 40.41 1wr7 s ASP 27 CO 0.08 -0.48 1.47 1.41 -0.17 0.00 0.00 175.17 177.49 1wr7 n HIS 28 N 4.83 0.76 -0.10 -5.34 8.25 0.18 -1.94 115.22 121.86 1wr7 n HIS 28 Ca 0.09 -0.40 -0.20 0.00 -0.26 0.00 0.00 57.72 56.95 1wr7 n HIS 28 Cb 0.48 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 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 4.28 0.00 -0.05 0.41 2.35 -1.91 -3.40 115.58 117.26 1wr7 h ASN 29 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1wr7 h ASN 29 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1wr7 h ASN 29 CO 0.00 1.41 0.00 0.35 -1.65 0.00 0.00 177.43 177.54 1wr7 n THR 30 N -4.46 0.25 -2.88 2.81 -2.24 -1.26 -5.04 114.28 101.46 1wr7 n THR 30 Ca -0.28 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 60.79 1wr7 n THR 30 Cb 0.65 0.96 0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.22 -1.59 -4.26 -0.78 5.02 -0.82 -5.06 118.16 110.89 1wr7 n LYS 31 Ca 0.04 0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 57.01 1wr7 n LYS 31 Cb 0.18 -5.03 -0.12 0.00 -0.02 0.00 0.00 35.03 30.04 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 -3.22 1.56 -0.21 -0.18 2.01 -0.89 -4.96 115.64 109.74 1wr7 s THR 32 Ca 0.26 -1.49 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1wr7 s THR 32 Cb -0.03 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 71.08 1wr7 s THR 32 CO 0.61 -0.11 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.43 1wr7 s THR 33 N -1.22 1.77 -0.00 -0.82 2.01 -1.26 0.52 115.64 116.64 1wr7 s THR 33 Ca 0.04 -1.15 0.07 0.00 0.31 0.00 0.00 61.69 60.96 1wr7 s THR 33 Cb -0.10 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1wr7 s THR 33 CO 0.04 0.13 -0.22 0.28 -0.69 0.00 0.00 174.62 174.16 1wr7 s THR 34 N 1.33 1.71 -0.41 -0.82 -1.32 -0.19 -4.97 115.64 110.97 1wr7 s THR 34 Ca -0.03 -0.98 0.23 0.00 -1.21 0.00 0.00 61.69 59.70 1wr7 s THR 34 Cb -0.17 -1.43 0.03 0.00 -1.51 0.00 0.00 72.50 69.42 1wr7 s THR 34 CO -0.08 0.43 1.17 -0.50 -2.21 0.00 0.00 174.62 173.44 1wr7 h TRP 35 N 5.46 0.00 -3.59 9.09 4.06 -1.85 0.56 115.95 129.68 1wr7 h TRP 35 Ca -0.40 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 59.89 1wr7 h TRP 35 Cb 1.14 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.14 1wr7 h TRP 35 CO 0.41 0.00 0.00 -1.21 -3.56 0.00 0.00 178.44 174.08 1wr7 s GLU 36 N -3.28 3.44 0.16 0.49 0.41 -1.26 -4.72 118.70 113.94 1wr7 s GLU 36 Ca 0.02 -0.30 -0.33 0.00 -0.41 0.00 0.00 54.97 53.95 1wr7 s GLU 36 Cb 0.11 -3.88 -0.13 0.00 -1.78 0.00 0.00 34.13 28.45 1wr7 s GLU 36 CO 0.76 -0.80 1.66 -3.47 -0.49 0.00 0.00 175.26 172.91 1wr7 n ASP 37 N 5.92 3.45 -0.31 -0.19 2.03 -1.26 -4.88 116.55 121.31 1wr7 n ASP 37 Ca -0.04 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.41 1wr7 n ASP 37 Cb 0.48 -1.48 0.31 0.00 -0.72 0.00 0.00 41.12 39.72 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 3.92 1.40 -0.10 -0.67 -0.04 -1.26 -2.96 135.00 135.29 1wr7 n PRO 38 Ca 0.17 -0.60 -0.14 0.00 -0.04 0.00 0.00 63.50 62.88 1wr7 n PRO 38 Cb 0.31 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.12 0.53 0.02 0.54 5.12 -1.26 -4.75 116.66 116.75 1wr7 n ARG 39 Ca 0.12 0.30 -0.20 0.00 -1.93 0.00 0.00 57.85 56.14 1wr7 n ARG 39 Cb 0.18 -1.51 -0.14 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.00 0.37 0.00 0.55 3.38 -1.99 -3.55 115.31 113.06 1wr7 h LEU 40 Ca -0.20 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.86 1wr7 h LEU 40 Cb 1.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1wr7 h LEU 40 CO -0.12 1.41 0.00 0.29 0.09 0.00 0.00 178.44 180.11