#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 n SER 2 N 0.00 -7.54 -4.68 1.61 7.64 -1.26 -4.87 113.62 104.52 1wr3 n SER 2 Ca 0.00 1.29 -0.45 0.00 1.01 0.00 0.00 58.87 60.71 1wr3 n SER 2 Cb 0.00 -4.99 -0.04 0.00 -1.01 0.00 0.00 64.21 58.17 1wr3 n SER 2 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1wr3 n PRO 3 N 0.60 2.38 -1.55 1.43 -0.02 -1.26 -4.86 135.00 131.73 1wr3 n PRO 3 Ca 0.00 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.95 1wr3 n PRO 3 Cb 0.02 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 30.75 1wr3 n PRO 3 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wr3 n PRO 4 N 5.27 1.29 -4.93 0.52 -0.02 -1.26 -4.94 135.00 130.93 1wr3 n PRO 4 Ca 0.19 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 1wr3 n PRO 4 Cb 0.32 -3.14 -0.17 0.00 -0.02 0.00 0.00 33.50 30.49 1wr3 n PRO 4 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wr3 s LEU 5 N 10.16 1.96 0.96 2.45 2.96 -1.26 -4.96 118.68 130.95 1wr3 s LEU 5 Ca 1.03 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1wr3 s LEU 5 Cb -0.38 -1.25 0.17 0.00 0.50 0.00 0.00 46.19 45.23 1wr3 s LEU 5 CO 0.33 0.11 1.13 -2.84 -1.32 0.00 0.00 176.35 173.76 1wr3 s PRO 6 N 0.54 0.65 0.09 0.98 0.02 -1.26 -4.86 135.00 131.16 1wr3 s PRO 6 Ca -0.15 1.43 -0.31 0.00 0.02 0.00 0.00 61.00 61.99 1wr3 s PRO 6 Cb -0.17 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 1wr3 s PRO 6 CO 0.05 -2.84 1.74 -1.25 -0.33 0.00 0.00 177.00 174.37 1wr3 s PRO 7 N -4.61 4.17 0.00 5.54 0.04 -1.26 -1.92 135.00 136.96 1wr3 s PRO 7 Ca 0.67 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.17 1wr3 s PRO 7 Cb -0.23 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1wr3 s PRO 7 CO 0.59 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1wr3 n GLY 8 N 4.11 1.80 3.73 0.56 0.00 -1.26 -4.85 105.19 109.28 1wr3 n GLY 8 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1wr3 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr3 s TRP 9 N -2.30 3.62 -0.05 1.61 0.52 -0.81 0.71 118.94 122.24 1wr3 s TRP 9 Ca 0.00 1.30 0.06 0.00 0.02 0.00 0.00 56.10 57.48 1wr3 s TRP 9 Cb 0.00 -2.79 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1wr3 s TRP 9 CO 0.00 0.15 -0.24 -1.21 0.02 0.00 0.00 176.95 175.66 1wr3 s GLU 10 N 0.54 2.45 -0.33 4.98 2.02 0.35 -4.90 118.70 123.81 1wr3 s GLU 10 Ca 0.37 -0.88 -0.26 0.00 0.02 0.00 0.00 54.97 54.23 1wr3 s GLU 10 Cb -0.18 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 31.96 1wr3 s GLU 10 CO 0.19 0.39 0.90 -2.00 0.02 0.00 0.00 175.26 174.76 1wr3 s GLU 11 N -0.19 3.96 0.01 1.61 2.12 -1.26 -0.21 118.70 124.74 1wr3 s GLU 11 Ca -0.02 0.72 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1wr3 s GLU 11 Cb -0.13 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1wr3 s GLU 11 CO 0.03 -0.81 -0.10 0.15 -0.54 0.00 0.00 175.26 173.99 1wr3 s LYS 12 N 3.28 0.74 -0.21 4.30 1.02 0.27 -5.00 119.74 124.14 1wr3 s LYS 12 Ca 0.37 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.77 1wr3 s LYS 12 Cb -0.13 -0.70 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1wr3 s LYS 12 CO 0.15 0.18 0.21 0.08 -0.92 0.00 0.00 175.35 175.05 1wr3 s VAL 13 N -0.51 5.34 0.64 3.17 1.01 -1.26 0.60 120.40 129.38 1wr3 s VAL 13 Ca 0.01 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1wr3 s VAL 13 Cb -0.05 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1wr3 s VAL 13 CO 0.00 0.37 1.04 -0.62 0.00 0.00 0.00 175.10 175.89 1wr3 s ASP 14 N 0.73 6.05 0.62 3.32 2.15 0.24 -4.88 116.67 124.89 1wr3 s ASP 14 Ca 0.11 1.46 0.31 0.00 0.43 0.00 0.00 52.55 54.86 1wr3 s ASP 14 Cb -0.13 -2.47 1.67 0.00 -0.30 0.00 0.00 42.92 41.69 1wr3 s ASP 14 CO 0.03 -0.99 2.01 -0.55 -0.17 0.00 0.00 175.17 175.50 1wr3 h ASN 15 N -0.41 0.00 -0.02 -0.34 7.08 -1.99 0.37 115.58 120.28 1wr3 h ASN 15 Ca -0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 1wr3 h ASN 15 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 1wr3 h ASN 15 CO 0.61 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 176.14 1wr3 n LEU 16 N -3.41 0.78 0.00 6.14 4.77 -1.26 -4.88 117.00 119.14 1wr3 n LEU 16 Ca 0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1wr3 n LEU 16 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1wr3 n LEU 16 CO 0.22 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1wr3 n GLY 17 N 1.07 0.70 3.32 -0.72 0.00 0.13 -5.03 105.19 104.66 1wr3 n GLY 17 Ca 0.21 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 1wr3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr3 s ARG 18 N -2.86 2.72 -0.67 1.61 0.52 -1.21 -4.87 118.95 114.20 1wr3 s ARG 18 Ca 0.00 -1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 53.68 1wr3 s ARG 18 Cb 0.00 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.72 1wr3 s ARG 18 CO 0.00 -0.82 1.60 0.99 0.02 0.00 0.00 175.30 177.09 1wr3 s THR 19 N 1.49 3.53 0.46 0.02 2.01 -1.26 -0.59 115.64 121.30 1wr3 s THR 19 Ca 0.02 0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.39 1wr3 s THR 19 Cb -0.21 -4.38 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1wr3 s THR 19 CO 0.04 -1.33 0.25 -0.72 -0.69 0.00 0.00 174.62 172.18 1wr3 s TYR 20 N 7.53 2.26 -0.19 4.92 1.13 0.20 -4.85 117.35 128.35 1wr3 s TYR 20 Ca 0.53 -0.69 0.01 0.00 -1.41 0.00 0.00 57.07 55.51 1wr3 s TYR 20 Cb -0.11 -1.94 0.03 0.00 -1.10 0.00 0.00 41.96 38.85 1wr3 s TYR 20 CO 0.18 -0.04 -0.15 0.71 -2.51 0.00 0.00 175.55 173.74 1wr3 s TYR 21 N -2.66 2.63 -0.35 -3.49 2.02 0.59 -0.57 117.35 115.52 1wr3 s TYR 21 Ca 0.36 -1.64 -0.09 0.00 -0.37 0.00 0.00 57.07 55.34 1wr3 s TYR 21 Cb 0.01 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1wr3 s TYR 21 CO 0.21 -0.77 0.15 0.54 -1.57 0.00 0.00 175.55 174.10 1wr3 s VAL 22 N 1.33 4.18 0.44 0.71 0.11 0.70 -2.74 120.40 125.13 1wr3 s VAL 22 Ca 0.01 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 57.90 1wr3 s VAL 22 Cb -0.15 -3.31 -0.08 0.00 -1.53 0.00 0.00 36.38 31.31 1wr3 s VAL 22 CO -0.10 -0.16 1.15 0.21 -3.33 0.00 0.00 175.10 172.87 1wr3 s ASN 23 N 1.49 6.34 -0.06 3.54 3.84 0.61 -0.49 114.94 130.20 1wr3 s ASN 23 Ca 0.01 2.28 0.14 0.00 0.21 0.00 0.00 52.86 55.50 1wr3 s ASN 23 Cb -0.19 -2.60 -0.21 0.00 -0.55 0.00 0.00 41.25 37.70 1wr3 s ASN 23 CO 0.05 -0.80 0.22 1.41 -2.79 0.00 0.00 177.10 175.19 1wr3 n HIS 24 N -0.29 0.00 0.06 0.43 8.25 0.22 -2.45 115.22 121.44 1wr3 n HIS 24 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 1wr3 n HIS 24 Cb 0.48 -0.47 -0.15 0.00 1.12 0.00 0.00 29.99 30.97 1wr3 n HIS 24 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1wr3 h ASN 25 N 0.00 0.59 0.00 0.41 7.08 -1.89 -3.35 115.58 118.42 1wr3 h ASN 25 Ca -0.14 -0.93 0.00 0.00 -3.08 0.00 0.00 56.30 52.14 1wr3 h ASN 25 Cb 1.13 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 37.18 1wr3 h ASN 25 CO 0.01 1.78 -1.51 -3.20 -2.08 0.00 0.00 177.43 172.42 1wr3 n ASN 26 N -3.63 0.55 -1.96 6.14 5.15 -1.26 -4.98 115.26 115.27 1wr3 n ASN 26 Ca -0.25 -0.43 -0.19 0.00 -0.60 0.00 0.00 54.58 53.12 1wr3 n ASN 26 Cb 1.06 1.54 -0.05 0.00 -0.53 0.00 0.00 39.78 41.80 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wr3 n ARG 27 N -1.90 -1.61 -2.00 1.20 5.12 -1.02 -4.94 116.66 111.51 1wr3 n ARG 27 Ca -0.00 1.01 -0.42 0.00 -1.93 0.00 0.00 57.85 56.50 1wr3 n ARG 27 Cb 0.44 -5.50 -0.03 0.00 -1.16 0.00 0.00 32.46 26.21 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wr3 s SER 28 N -2.33 6.67 -0.80 0.55 0.01 -1.25 -4.68 113.70 111.87 1wr3 s SER 28 Ca 0.00 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.63 1wr3 s SER 28 Cb 0.00 -2.55 0.26 0.00 0.21 0.00 0.00 66.02 63.93 1wr3 s SER 28 CO 0.00 -0.87 0.95 0.35 0.41 0.00 0.00 173.24 174.08 1wr3 n THR 29 N 4.93 3.26 -4.10 1.44 -2.24 -1.26 -0.28 114.28 116.03 1wr3 n THR 29 Ca 0.16 -5.40 -0.27 0.00 -2.27 0.00 0.00 64.05 56.28 1wr3 n THR 29 Cb 0.42 -2.14 -0.06 0.00 -2.10 0.00 0.00 70.33 66.45 1wr3 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wr3 s GLN 30 N -2.37 2.80 -0.14 -0.78 1.03 -1.11 -4.95 119.66 114.14 1wr3 s GLN 30 Ca 0.35 -0.90 0.16 0.00 0.04 0.00 0.00 55.36 55.01 1wr3 s GLN 30 Cb 0.08 -2.59 0.41 0.00 0.03 0.00 0.00 33.01 30.94 1wr3 s GLN 30 CO -0.00 0.48 1.30 -2.67 -2.54 0.00 0.00 175.29 171.86 1wr3 n TRP 31 N -0.25 0.56 0.41 9.60 2.14 -1.26 -0.30 117.44 128.34 1wr3 n TRP 31 Ca -0.09 -0.87 0.05 0.00 2.07 0.00 0.00 57.50 58.66 1wr3 n TRP 31 Cb 0.55 -0.23 0.05 0.00 -0.81 0.00 0.00 31.31 30.87 1wr3 n TRP 31 CO 0.00 0.00 0.00 -2.39 2.07 0.00 0.00 177.69 177.37 1wr3 n HIS 32 N -0.74 0.03 -0.90 -2.67 1.44 -1.26 -4.81 115.22 106.31 1wr3 n HIS 32 Ca 0.18 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1wr3 n HIS 32 Cb 0.75 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.86 1wr3 n HIS 32 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1wr3 n ARG 33 N 0.61 -2.32 -1.88 -1.40 0.00 -1.26 -4.90 116.66 105.50 1wr3 n ARG 33 Ca 0.07 1.73 -0.42 0.00 -0.00 0.00 0.00 57.85 59.23 1wr3 n ARG 33 Cb 0.28 -1.83 -0.03 0.00 0.00 0.00 0.00 32.46 30.89 1wr3 n ARG 33 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1wr3 s PRO 34 N -2.91 4.19 -1.15 -0.14 0.02 -1.26 -4.90 135.00 128.85 1wr3 s PRO 34 Ca 0.00 2.43 -0.22 0.00 0.02 0.00 0.00 61.00 63.24 1wr3 s PRO 34 Cb 0.00 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 1wr3 s PRO 34 CO 0.00 -0.63 1.85 -1.12 -0.33 0.00 0.00 177.00 176.76 1wr3 s SER 35 N 1.06 5.62 0.00 2.53 0.01 -1.26 -5.06 113.70 116.59 1wr3 s SER 35 Ca 0.70 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1wr3 s SER 35 Cb -0.45 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.20 1wr3 s SER 35 CO 0.33 -2.42 0.00 0.18 0.41 0.00 0.00 173.24 171.74