#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 -2.55 -4.85 1.61 7.64 -1.26 -4.71 113.62 109.50 1wr3 n SER 2 Ca 0.00 -3.56 -0.35 0.00 1.01 0.00 0.00 58.87 55.96 1wr3 n SER 2 Cb 0.00 1.90 -0.06 0.00 -1.01 0.00 0.00 64.21 65.04 1wr3 n SER 2 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wr3 s PRO 3 N 0.43 3.94 0.76 1.43 0.04 -1.26 -5.08 135.00 135.25 1wr3 s PRO 3 Ca 0.26 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 1wr3 s PRO 3 Cb 0.27 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.88 1wr3 s PRO 3 CO -0.12 0.51 1.08 -1.25 0.04 0.00 0.00 177.00 177.26 1wr3 s PRO 4 N -1.86 2.40 -0.11 0.56 0.04 -1.26 -4.81 135.00 129.96 1wr3 s PRO 4 Ca 0.36 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1wr3 s PRO 4 Cb -0.15 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1wr3 s PRO 4 CO 0.19 -1.50 1.87 -1.17 0.04 0.00 0.00 177.00 176.43 1wr3 s LEU 5 N -5.80 4.02 0.72 -3.56 2.96 -1.26 -4.96 118.68 110.80 1wr3 s LEU 5 Ca 0.60 2.10 -0.16 0.00 -0.22 0.00 0.00 54.13 56.46 1wr3 s LEU 5 Cb -0.16 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.04 1wr3 s LEU 5 CO 0.56 -1.31 1.24 -2.84 -1.32 0.00 0.00 176.35 172.68 1wr3 s PRO 6 N 4.90 2.17 0.00 0.98 0.02 -1.26 -4.88 135.00 136.92 1wr3 s PRO 6 Ca 0.84 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.90 1wr3 s PRO 6 Cb -0.34 -1.82 0.86 0.00 0.02 0.00 0.00 34.50 33.22 1wr3 s PRO 6 CO 0.34 -1.84 1.44 -2.30 -0.33 0.00 0.00 177.00 174.31 1wr3 n PRO 7 N -2.54 0.31 -0.50 5.54 -0.02 -1.26 -1.75 135.00 134.78 1wr3 n PRO 7 Ca 0.14 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 1wr3 n PRO 7 Cb 0.49 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.72 1wr3 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wr3 n GLY 8 N 0.06 2.16 3.33 -1.23 0.00 -1.26 -4.91 105.19 103.34 1wr3 n GLY 8 Ca 0.09 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.95 2.05 -0.01 1.61 0.52 -0.72 0.97 118.94 121.41 1wr3 s TRP 9 Ca 0.34 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 56.07 1wr3 s TRP 9 Cb 0.24 -1.13 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 1wr3 s TRP 9 CO 0.13 0.24 -0.04 -2.00 0.02 0.00 0.00 176.95 175.29 1wr3 s GLU 10 N -1.83 0.44 -0.37 4.98 2.12 0.16 -4.93 118.70 119.28 1wr3 s GLU 10 Ca 0.10 -0.14 -0.24 0.00 0.36 0.00 0.00 54.97 55.05 1wr3 s GLU 10 Cb -0.10 -0.45 0.01 0.00 0.26 0.00 0.00 34.13 33.85 1wr3 s GLU 10 CO 0.04 0.06 0.82 -2.00 -0.54 0.00 0.00 175.26 173.64 1wr3 s GLU 11 N 0.12 3.75 0.11 4.30 2.12 -1.26 0.07 118.70 127.92 1wr3 s GLU 11 Ca -0.01 0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.71 1wr3 s GLU 11 Cb -0.05 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1wr3 s GLU 11 CO -0.00 -0.89 -0.10 0.15 -0.54 0.00 0.00 175.26 173.88 1wr3 s LYS 12 N 3.20 0.92 -0.08 4.30 1.02 0.15 -4.97 119.74 124.28 1wr3 s LYS 12 Ca 0.33 -1.27 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 1wr3 s LYS 12 Cb -0.13 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1wr3 s LYS 12 CO 0.18 0.08 0.32 0.08 -0.92 0.00 0.00 175.35 175.09 1wr3 s VAL 13 N -2.80 5.22 0.01 3.17 1.01 -1.26 0.00 120.40 125.75 1wr3 s VAL 13 Ca 0.10 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 1wr3 s VAL 13 Cb -0.01 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 1wr3 s VAL 13 CO -0.00 0.51 1.10 -2.24 0.00 0.00 0.00 175.10 174.46 1wr3 h ASP 14 N 5.56 -0.79 0.00 3.32 2.03 -1.88 -3.48 116.42 121.17 1wr3 h ASP 14 Ca -0.48 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1wr3 h ASP 14 Cb 1.20 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 1wr3 h ASP 14 CO 0.67 -0.41 0.00 -0.46 -1.03 0.00 0.00 179.24 178.00 1wr3 n ASN 15 N -5.40 0.00 0.05 4.15 0.23 -1.26 -4.95 115.26 108.08 1wr3 n ASN 15 Ca -0.12 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.74 1wr3 n ASN 15 Cb 0.37 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.93 1wr3 n ASN 15 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wr3 h LEU 16 N 0.00 0.46 0.00 -4.53 6.46 -2.03 -3.48 115.31 112.19 1wr3 h LEU 16 Ca 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1wr3 h LEU 16 Cb 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1wr3 h LEU 16 CO 0.00 1.60 0.00 0.61 -0.62 0.00 0.00 178.44 180.03 1wr3 n GLY 17 N 1.78 0.18 3.45 3.75 0.00 -1.26 -5.10 105.19 107.99 1wr3 n GLY 17 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 3.14 -0.58 1.61 0.52 -1.26 -4.91 118.95 117.47 1wr3 s ARG 18 Ca 0.00 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.12 1wr3 s ARG 18 Cb 0.00 -4.17 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 1wr3 s ARG 18 CO 0.00 -1.56 1.90 0.99 0.02 0.00 0.00 175.30 176.65 1wr3 s THR 19 N 3.43 3.34 0.45 0.02 2.01 -1.26 -2.91 115.64 120.73 1wr3 s THR 19 Ca 0.20 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1wr3 s THR 19 Cb -0.18 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1wr3 s THR 19 CO 0.12 -0.80 0.54 -0.72 -0.69 0.00 0.00 174.62 173.06 1wr3 s TYR 20 N 9.14 2.49 -0.22 4.92 1.13 0.10 -4.83 117.35 130.08 1wr3 s TYR 20 Ca 0.70 -0.50 -0.03 0.00 -1.41 0.00 0.00 57.07 55.83 1wr3 s TYR 20 Cb -0.14 -2.26 -0.00 0.00 -1.10 0.00 0.00 41.96 38.46 1wr3 s TYR 20 CO 0.22 -0.45 -0.05 0.71 -2.51 0.00 0.00 175.55 173.48 1wr3 s TYR 21 N -2.46 2.97 -0.28 -3.49 2.02 0.28 -0.67 117.35 115.71 1wr3 s TYR 21 Ca 0.53 -1.05 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 1wr3 s TYR 21 Cb -0.07 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1wr3 s TYR 21 CO 0.32 -0.59 0.12 0.54 -1.57 0.00 0.00 175.55 174.37 1wr3 s VAL 22 N 1.45 4.57 0.36 0.71 0.11 0.11 -2.89 120.40 124.83 1wr3 s VAL 22 Ca 0.05 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.59 1wr3 s VAL 22 Cb -0.15 -3.23 -0.09 0.00 -1.53 0.00 0.00 36.38 31.38 1wr3 s VAL 22 CO -0.04 0.21 1.18 0.21 -3.33 0.00 0.00 175.10 173.33 1wr3 s ASN 23 N 1.63 6.75 0.16 3.54 3.84 -0.95 -0.67 114.94 129.25 1wr3 s ASN 23 Ca 0.06 2.40 0.22 0.00 0.21 0.00 0.00 52.86 55.75 1wr3 s ASN 23 Cb -0.16 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.88 1wr3 s ASN 23 CO 0.06 -0.52 0.97 1.41 -2.79 0.00 0.00 177.10 176.23 1wr3 n HIS 24 N 0.48 0.80 -0.11 0.43 8.25 0.27 -1.87 115.22 123.48 1wr3 n HIS 24 Ca 0.02 0.23 -0.18 0.00 -0.26 0.00 0.00 57.72 57.53 1wr3 n HIS 24 Cb 0.45 -0.87 -0.09 0.00 1.12 0.00 0.00 29.99 30.60 1wr3 n HIS 24 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wr3 n ASN 25 N -2.58 2.08 -0.00 0.41 0.23 -1.26 -4.59 115.26 109.54 1wr3 n ASN 25 Ca -0.00 0.02 0.10 0.00 -0.53 0.00 0.00 54.58 54.17 1wr3 n ASN 25 Cb 0.55 -0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 37.65 1wr3 n ASN 25 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1wr3 n ASN 26 N -3.45 0.64 -3.61 0.53 2.85 -1.26 -4.99 115.26 105.97 1wr3 n ASN 26 Ca -0.41 -0.47 -0.27 0.00 -0.11 0.00 0.00 54.58 53.32 1wr3 n ASN 26 Cb 0.87 1.47 -0.00 0.00 1.24 0.00 0.00 39.78 43.36 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wr3 n ARG 27 N -1.84 -3.70 -2.08 1.20 5.12 -0.78 -4.92 116.66 109.67 1wr3 n ARG 27 Ca -0.00 0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 55.98 1wr3 n ARG 27 Cb 0.42 -5.23 -0.03 0.00 -1.16 0.00 0.00 32.46 26.47 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 -2.92 6.71 -0.95 0.55 0.01 -1.26 -4.63 113.70 111.21 1wr3 s SER 28 Ca 0.51 2.15 -0.01 0.00 1.31 0.00 0.00 55.95 59.90 1wr3 s SER 28 Cb -0.27 -2.53 0.29 0.00 0.21 0.00 0.00 66.02 63.72 1wr3 s SER 28 CO 0.63 -0.90 1.24 0.35 0.41 0.00 0.00 173.24 174.96 1wr3 n THR 29 N 5.46 4.39 -4.14 1.44 -2.24 -1.26 -2.24 114.28 115.70 1wr3 n THR 29 Ca 0.17 -5.69 -0.33 0.00 -2.27 0.00 0.00 64.05 55.93 1wr3 n THR 29 Cb 0.43 -2.12 -0.07 0.00 -2.10 0.00 0.00 70.33 66.47 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 -2.59 3.04 -0.02 -0.78 -2.07 -1.14 -4.90 119.66 111.19 1wr3 s GLN 30 Ca 0.33 -0.48 0.21 0.00 -1.82 0.00 0.00 55.36 53.61 1wr3 s GLN 30 Cb 0.06 -2.84 0.65 0.00 -1.09 0.00 0.00 33.01 29.79 1wr3 s GLN 30 CO 0.06 0.66 1.54 -2.67 -1.32 0.00 0.00 175.29 173.56 1wr3 n TRP 31 N 1.34 1.04 1.02 9.60 2.14 -1.26 -0.56 117.44 130.76 1wr3 n TRP 31 Ca -0.14 -0.52 0.12 0.00 2.07 0.00 0.00 57.50 59.03 1wr3 n TRP 31 Cb 0.53 -0.04 0.13 0.00 -0.81 0.00 0.00 31.31 31.12 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 1.52 0.01 -1.08 -2.67 1.44 -1.26 -4.88 115.22 108.31 1wr3 n HIS 32 Ca 0.24 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1wr3 n HIS 32 Cb 0.66 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.77 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 1.27 -3.09 -0.70 -1.40 0.63 -1.26 -4.58 116.66 107.53 1wr3 n ARG 33 Ca 0.15 2.29 -0.06 0.00 -0.92 0.00 0.00 57.85 59.31 1wr3 n ARG 33 Cb 0.58 -2.57 -0.09 0.00 0.45 0.00 0.00 32.46 30.83 1wr3 n ARG 33 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1wr3 n PRO 34 N -0.79 1.39 -3.62 -0.14 -0.05 -1.26 -4.81 135.00 125.71 1wr3 n PRO 34 Ca 0.00 -0.52 -0.38 0.00 -0.05 0.00 0.00 63.50 62.55 1wr3 n PRO 34 Cb 0.00 -1.59 -0.11 0.00 -0.05 0.00 0.00 33.50 31.75 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 1wr3 s SER 35 N 2.08 5.90 0.00 3.54 0.01 -1.26 -4.88 113.70 119.09 1wr3 s SER 35 Ca 0.35 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.65 1wr3 s SER 35 Cb 0.17 -2.09 0.05 0.00 0.21 0.00 0.00 66.02 64.36 1wr3 s SER 35 CO 0.00 -0.03 0.72 0.18 0.41 0.00 0.00 173.24 174.51