#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 h SER 2 N 0.00 -0.11 -3.66 1.61 0.02 -2.06 -3.46 113.55 105.90 1wr3 h SER 2 Ca 0.00 -0.11 -0.51 0.00 -0.84 0.00 0.00 61.79 60.34 1wr3 h SER 2 Cb 0.00 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1wr3 h SER 2 CO 0.00 0.42 0.38 -2.16 -1.14 0.00 0.00 176.83 174.34 1wr3 s PRO 3 N -2.11 4.74 0.56 3.45 0.04 -1.26 -4.93 135.00 135.48 1wr3 s PRO 3 Ca -0.04 1.54 0.30 0.00 0.04 0.00 0.00 61.00 62.84 1wr3 s PRO 3 Cb -0.00 -3.31 1.64 0.00 0.04 0.00 0.00 34.50 32.87 1wr3 s PRO 3 CO 0.14 0.31 2.14 -1.35 0.04 0.00 0.00 177.00 178.29 1wr3 h PRO 4 N 4.81 0.00 -5.52 0.56 0.11 -2.02 -3.38 132.00 126.55 1wr3 h PRO 4 Ca -0.44 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.05 1wr3 h PRO 4 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1wr3 h PRO 4 CO 0.70 0.07 0.17 -1.17 -0.21 0.00 0.00 178.00 177.56 1wr3 s LEU 5 N -7.17 4.14 0.62 2.35 2.96 -1.26 -5.02 118.68 115.31 1wr3 s LEU 5 Ca -0.03 0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 54.14 1wr3 s LEU 5 Cb 0.13 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 1wr3 s LEU 5 CO 0.55 -0.49 1.29 -2.84 -1.32 0.00 0.00 176.35 173.55 1wr3 s PRO 6 N 2.63 2.71 0.23 0.98 0.02 -1.26 -4.93 135.00 135.38 1wr3 s PRO 6 Ca 0.26 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 63.02 1wr3 s PRO 6 Cb -0.15 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 1wr3 s PRO 6 CO 0.12 -1.47 1.59 -2.14 -0.33 0.00 0.00 177.00 174.76 1wr3 s PRO 7 N -3.30 4.18 0.00 5.54 0.02 -1.26 -2.40 135.00 137.78 1wr3 s PRO 7 Ca 0.80 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.30 1wr3 s PRO 7 Cb -0.37 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1wr3 s PRO 7 CO 0.40 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1wr3 n GLY 8 N 3.01 2.57 3.62 0.52 0.00 -1.26 -4.95 105.19 108.70 1wr3 n GLY 8 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.37 3.11 -0.12 1.61 0.52 -1.01 -0.07 118.94 120.61 1wr3 s TRP 9 Ca 0.00 0.97 -0.06 0.00 0.02 0.00 0.00 56.10 57.03 1wr3 s TRP 9 Cb 0.00 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 1wr3 s TRP 9 CO 0.00 -0.79 0.11 -2.00 0.02 0.00 0.00 176.95 174.29 1wr3 s GLU 10 N 3.55 3.44 -0.41 4.98 2.12 -0.17 -4.86 118.70 127.36 1wr3 s GLU 10 Ca 0.41 -0.20 -0.22 0.00 0.36 0.00 0.00 54.97 55.32 1wr3 s GLU 10 Cb -0.12 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1wr3 s GLU 10 CO 0.17 0.70 0.75 -2.00 -0.54 0.00 0.00 175.26 174.34 1wr3 s GLU 11 N -0.82 3.55 0.05 4.30 2.12 -1.26 -1.26 118.70 125.37 1wr3 s GLU 11 Ca 0.14 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.54 1wr3 s GLU 11 Cb -0.12 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1wr3 s GLU 11 CO 0.03 -0.96 -0.12 0.15 -0.54 0.00 0.00 175.26 173.82 1wr3 s LYS 12 N 3.09 0.77 -0.15 4.30 1.02 -0.42 -5.00 119.74 123.35 1wr3 s LYS 12 Ca 0.29 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.42 1wr3 s LYS 12 Cb -0.13 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1wr3 s LYS 12 CO 0.19 0.16 -0.05 0.08 -0.92 0.00 0.00 175.35 174.82 1wr3 s VAL 13 N -1.13 3.78 0.40 3.17 1.01 -1.26 0.27 120.40 126.64 1wr3 s VAL 13 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1wr3 s VAL 13 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1wr3 s VAL 13 CO 0.01 0.49 0.64 -0.62 0.00 0.00 0.00 175.10 175.62 1wr3 s ASP 14 N 0.39 6.23 0.06 3.32 2.15 -0.18 -4.90 116.67 123.74 1wr3 s ASP 14 Ca -0.05 0.58 -0.36 0.00 0.43 0.00 0.00 52.55 53.15 1wr3 s ASP 14 Cb -0.14 -2.04 -0.16 0.00 -0.30 0.00 0.00 42.92 40.28 1wr3 s ASP 14 CO 0.03 -0.43 1.45 -3.20 -0.17 0.00 0.00 175.17 172.85 1wr3 n ASN 15 N -1.97 2.11 0.00 -0.34 5.15 -1.26 -1.37 115.26 117.58 1wr3 n ASN 15 Ca -0.02 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1wr3 n ASN 15 Cb 0.56 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1wr3 n ASN 15 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wr3 n LEU 16 N 3.14 0.00 -0.28 1.20 4.77 -1.26 -4.35 117.00 120.22 1wr3 n LEU 16 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1wr3 n LEU 16 Cb 0.21 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1wr3 n LEU 16 CO 0.65 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1wr3 n GLY 17 N -2.16 0.96 3.44 -0.72 0.00 -0.47 -5.00 105.19 101.23 1wr3 n GLY 17 Ca 0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.34 3.61 -0.48 1.61 0.52 -0.85 -4.90 118.95 115.13 1wr3 s ARG 18 Ca 0.00 -1.88 -0.27 0.00 -0.52 0.00 0.00 55.73 53.06 1wr3 s ARG 18 Cb 0.00 -4.86 -0.02 0.00 0.52 0.00 0.00 34.95 30.60 1wr3 s ARG 18 CO 0.00 -1.71 1.79 0.99 0.02 0.00 0.00 175.30 176.39 1wr3 s THR 19 N 2.32 3.46 0.38 0.02 2.01 -1.26 -1.01 115.64 121.56 1wr3 s THR 19 Ca 0.31 0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.78 1wr3 s THR 19 Cb -0.05 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1wr3 s THR 19 CO -0.09 -0.71 0.18 -0.72 -0.69 0.00 0.00 174.62 172.59 1wr3 s TYR 20 N 7.84 2.66 -0.15 4.92 1.13 0.14 -4.75 117.35 129.13 1wr3 s TYR 20 Ca 0.71 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.89 1wr3 s TYR 20 Cb -0.16 -1.84 0.03 0.00 -1.10 0.00 0.00 41.96 38.89 1wr3 s TYR 20 CO 0.27 0.22 -0.11 0.71 -2.51 0.00 0.00 175.55 174.13 1wr3 s TYR 21 N -2.51 2.03 -0.32 -3.49 2.02 0.61 -1.30 117.35 114.39 1wr3 s TYR 21 Ca 0.40 -1.18 -0.08 0.00 -0.37 0.00 0.00 57.07 55.85 1wr3 s TYR 21 Cb 0.00 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 1wr3 s TYR 21 CO 0.23 -0.65 0.11 0.54 -1.57 0.00 0.00 175.55 174.22 1wr3 s VAL 22 N 1.53 4.09 -0.20 0.71 0.11 -0.39 -2.87 120.40 123.38 1wr3 s VAL 22 Ca 0.03 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 58.01 1wr3 s VAL 22 Cb -0.14 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 1wr3 s VAL 22 CO -0.09 -0.03 1.62 0.21 -3.33 0.00 0.00 175.10 173.47 1wr3 s ASN 23 N 1.50 6.41 0.00 3.54 3.84 -0.62 -1.00 114.94 128.62 1wr3 s ASN 23 Ca 0.02 1.68 0.13 0.00 0.21 0.00 0.00 52.86 54.90 1wr3 s ASN 23 Cb -0.18 -2.53 0.58 0.00 -0.55 0.00 0.00 41.25 38.57 1wr3 s ASN 23 CO 0.04 -1.22 1.42 1.41 -2.79 0.00 0.00 177.10 175.95 1wr3 n HIS 24 N 8.31 0.00 0.11 0.43 8.25 0.90 0.05 115.22 133.27 1wr3 n HIS 24 Ca 0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1wr3 n HIS 24 Cb 0.45 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 1wr3 n HIS 24 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1wr3 h ASN 25 N 0.00 -0.26 -0.30 0.41 2.35 -1.89 -3.38 115.58 112.50 1wr3 h ASN 25 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wr3 h ASN 25 Cb 0.22 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1wr3 h ASN 25 CO 0.00 -0.07 0.00 -3.20 -1.65 0.00 0.00 177.43 172.51 1wr3 n ASN 26 N -3.51 2.83 -3.48 5.81 2.85 -1.22 -4.98 115.26 113.56 1wr3 n ASN 26 Ca -0.04 -2.02 -0.18 0.00 -0.11 0.00 0.00 54.58 52.23 1wr3 n ASN 26 Cb 0.12 -0.21 0.07 0.00 1.24 0.00 0.00 39.78 41.00 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 0.38 -5.18 -2.55 1.20 5.12 0.11 -4.94 116.66 110.79 1wr3 n ARG 27 Ca 0.10 0.78 -0.43 0.00 -1.93 0.00 0.00 57.85 56.37 1wr3 n ARG 27 Cb 0.41 -5.61 -0.02 0.00 -1.16 0.00 0.00 32.46 26.08 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 -4.15 6.58 -0.97 0.55 0.01 -1.02 -4.83 113.70 109.87 1wr3 s SER 28 Ca 0.10 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 57.84 1wr3 s SER 28 Cb -0.02 -2.55 0.24 0.00 0.21 0.00 0.00 66.02 63.91 1wr3 s SER 28 CO 0.76 -1.29 0.90 0.42 0.41 0.00 0.00 173.24 174.44 1wr3 s THR 29 N 4.65 5.15 0.10 1.44 -4.23 -1.26 -1.58 115.64 119.90 1wr3 s THR 29 Ca 0.51 -3.49 0.04 0.00 -1.18 0.00 0.00 61.69 57.56 1wr3 s THR 29 Cb -0.08 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 1wr3 s THR 29 CO 0.32 -1.11 0.06 0.00 -0.54 0.00 0.00 174.62 173.35 1wr3 s GLN 30 N -1.09 2.77 -0.21 3.99 1.03 -1.14 -4.95 119.66 120.06 1wr3 s GLN 30 Ca 0.27 -0.77 0.15 0.00 0.04 0.00 0.00 55.36 55.05 1wr3 s GLN 30 Cb -0.09 -2.65 0.51 0.00 0.03 0.00 0.00 33.01 30.80 1wr3 s GLN 30 CO -0.10 0.54 1.42 -2.67 -2.54 0.00 0.00 175.29 171.95 1wr3 n TRP 31 N 0.37 0.93 0.20 9.60 2.14 -1.26 -0.29 117.44 129.13 1wr3 n TRP 31 Ca -0.09 -1.10 0.07 0.00 2.07 0.00 0.00 57.50 58.45 1wr3 n TRP 31 Cb 0.52 -0.36 0.11 0.00 -0.81 0.00 0.00 31.31 30.78 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 -0.76 0.26 -1.12 -2.67 1.44 -1.26 -4.83 115.22 106.27 1wr3 n HIS 32 Ca 0.25 -0.23 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1wr3 n HIS 32 Cb 0.92 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.02 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 0.73 -3.16 -2.36 -1.40 0.63 -1.26 -4.89 116.66 104.96 1wr3 n ARG 33 Ca 0.11 2.29 -0.42 0.00 -0.92 0.00 0.00 57.85 58.90 1wr3 n ARG 33 Cb 0.39 -2.53 -0.03 0.00 0.45 0.00 0.00 32.46 30.74 1wr3 n ARG 33 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1wr3 s PRO 34 N -3.11 4.37 0.00 -0.14 0.04 -1.26 -4.88 135.00 130.01 1wr3 s PRO 34 Ca 0.00 1.83 0.13 0.00 0.04 0.00 0.00 61.00 63.00 1wr3 s PRO 34 Cb 0.00 -3.43 0.22 0.00 0.04 0.00 0.00 34.50 31.33 1wr3 s PRO 34 CO 0.00 -0.39 1.06 0.43 0.04 0.00 0.00 177.00 178.14 1wr3 n SER 35 N 4.52 0.44 0.00 6.66 7.64 -1.26 -4.96 113.62 126.66 1wr3 n SER 35 Ca 0.11 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1wr3 n SER 35 Cb 0.45 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1wr3 n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21