#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 s SER 2 N 0.00 7.48 -0.12 1.61 0.01 -1.26 -4.99 113.70 116.45 1wr3 s SER 2 Ca 0.00 2.01 -0.29 0.00 1.31 0.00 0.00 55.95 58.97 1wr3 s SER 2 Cb 0.00 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1wr3 s SER 2 CO 0.00 0.03 1.90 -2.84 0.41 0.00 0.00 173.24 172.75 1wr3 s PRO 3 N -1.42 3.77 0.62 12.44 0.02 -1.26 -4.97 135.00 144.20 1wr3 s PRO 3 Ca 0.44 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1wr3 s PRO 3 Cb -0.26 -4.17 -0.02 0.00 0.02 0.00 0.00 34.50 30.07 1wr3 s PRO 3 CO 0.33 -1.35 1.11 -1.25 -0.33 0.00 0.00 177.00 175.50 1wr3 s PRO 4 N 4.99 3.02 0.14 5.54 0.04 -1.26 -4.99 135.00 142.49 1wr3 s PRO 4 Ca 0.85 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 1wr3 s PRO 4 Cb -0.34 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1wr3 s PRO 4 CO 0.35 -1.08 1.25 -1.17 0.04 0.00 0.00 177.00 176.39 1wr3 s LEU 5 N -4.51 4.41 0.68 -3.56 2.96 -1.26 -5.02 118.68 112.38 1wr3 s LEU 5 Ca 0.68 2.22 -0.14 0.00 -0.22 0.00 0.00 54.13 56.66 1wr3 s LEU 5 Cb -0.21 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.90 1wr3 s LEU 5 CO 0.37 -0.47 1.12 -2.84 -1.32 0.00 0.00 176.35 173.20 1wr3 s PRO 6 N 0.36 2.64 0.14 0.98 0.02 -1.26 -4.94 135.00 132.93 1wr3 s PRO 6 Ca 0.57 1.41 -0.31 0.00 0.02 0.00 0.00 61.00 62.68 1wr3 s PRO 6 Cb -0.33 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 1wr3 s PRO 6 CO 0.34 -1.38 1.65 -2.14 -0.33 0.00 0.00 177.00 175.14 1wr3 s PRO 7 N -4.17 4.19 0.00 5.54 0.02 -1.26 -2.03 135.00 137.28 1wr3 s PRO 7 Ca 0.67 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1wr3 s PRO 7 Cb -0.21 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1wr3 s PRO 7 CO 0.44 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1wr3 n GLY 8 N 3.93 0.60 3.69 0.52 0.00 -1.26 -5.01 105.19 107.65 1wr3 n GLY 8 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.04 -0.06 1.61 0.52 -0.86 0.67 118.94 121.87 1wr3 s TRP 9 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.16 1wr3 s TRP 9 Cb 0.00 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.73 1wr3 s TRP 9 CO 0.00 0.47 -0.03 -2.00 0.02 0.00 0.00 176.95 175.40 1wr3 s GLU 10 N -1.86 0.80 -0.37 4.98 2.12 0.39 -4.91 118.70 119.85 1wr3 s GLU 10 Ca 0.22 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 1wr3 s GLU 10 Cb -0.12 -0.91 0.01 0.00 0.26 0.00 0.00 34.13 33.38 1wr3 s GLU 10 CO 0.14 -0.15 1.23 -2.00 -0.54 0.00 0.00 175.26 173.93 1wr3 s GLU 11 N 1.25 3.84 -0.02 4.30 2.12 -1.26 -0.10 118.70 128.82 1wr3 s GLU 11 Ca -0.06 0.99 0.02 0.00 0.36 0.00 0.00 54.97 56.28 1wr3 s GLU 11 Cb -0.14 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1wr3 s GLU 11 CO -0.02 -1.21 -0.08 0.15 -0.54 0.00 0.00 175.26 173.56 1wr3 s LYS 12 N 4.25 0.81 -0.24 4.30 1.02 0.75 -5.00 119.74 125.64 1wr3 s LYS 12 Ca 0.53 -0.27 -0.21 0.00 0.02 0.00 0.00 55.97 56.04 1wr3 s LYS 12 Cb -0.13 -0.78 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 1wr3 s LYS 12 CO 0.25 0.11 0.63 0.08 -0.92 0.00 0.00 175.35 175.51 1wr3 s VAL 13 N 0.13 4.99 0.00 3.17 1.01 -1.26 0.24 120.40 128.69 1wr3 s VAL 13 Ca -0.02 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1wr3 s VAL 13 Cb -0.07 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1wr3 s VAL 13 CO 0.00 0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.48 1wr3 n ASP 14 N 5.53 0.00 -3.61 3.32 2.03 0.01 -4.64 116.55 119.20 1wr3 n ASP 14 Ca -0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.89 1wr3 n ASP 14 Cb 0.49 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.88 1wr3 n ASP 14 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wr3 n ASN 15 N 0.00 5.50 0.00 1.67 5.15 -1.26 -4.57 115.26 121.75 1wr3 n ASN 15 Ca 0.00 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1wr3 n ASN 15 Cb 0.00 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.64 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 5.10 0.66 -0.56 1.20 4.77 -1.26 -4.43 117.00 122.48 1wr3 n LEU 16 Ca 0.59 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.55 1wr3 n LEU 16 Cb 0.34 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1wr3 n LEU 16 CO 0.88 -0.39 0.12 0.61 -1.33 0.00 0.00 177.39 177.27 1wr3 n GLY 17 N -1.69 0.01 2.76 -0.72 0.00 -1.26 -5.05 105.19 99.24 1wr3 n GLY 17 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1wr3 n GLY 17 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wr3 s ARG 18 N 0.00 1.31 -0.77 1.61 1.70 -1.26 -4.99 118.95 116.55 1wr3 s ARG 18 Ca 0.00 -1.96 -0.26 0.00 -0.47 0.00 0.00 55.73 53.04 1wr3 s ARG 18 Cb 0.00 -2.45 0.01 0.00 -0.57 0.00 0.00 34.95 31.94 1wr3 s ARG 18 CO 0.00 -1.12 1.56 0.99 -1.08 0.00 0.00 175.30 175.64 1wr3 s THR 19 N 0.46 3.62 0.47 4.99 2.01 -1.26 -0.81 115.64 125.12 1wr3 s THR 19 Ca 0.16 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1wr3 s THR 19 Cb -0.24 -4.55 -0.02 0.00 0.01 0.00 0.00 72.50 67.70 1wr3 s THR 19 CO -0.03 -1.49 0.17 -0.72 -0.69 0.00 0.00 174.62 171.86 1wr3 s TYR 20 N 7.09 2.14 -0.19 4.92 1.13 0.14 -4.83 117.35 127.76 1wr3 s TYR 20 Ca 0.50 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 1wr3 s TYR 20 Cb -0.08 -1.83 0.03 0.00 -1.10 0.00 0.00 41.96 38.99 1wr3 s TYR 20 CO 0.10 0.06 -0.14 0.71 -2.51 0.00 0.00 175.55 173.78 1wr3 s TYR 21 N -2.73 2.56 -0.25 -3.49 2.02 -0.45 -0.18 117.35 114.84 1wr3 s TYR 21 Ca 0.28 -1.61 -0.07 0.00 -0.37 0.00 0.00 57.07 55.30 1wr3 s TYR 21 Cb 0.02 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1wr3 s TYR 21 CO 0.16 -0.76 0.07 0.54 -1.57 0.00 0.00 175.55 173.99 1wr3 s VAL 22 N 1.35 4.35 0.38 0.71 0.11 0.85 -3.04 120.40 125.11 1wr3 s VAL 22 Ca 0.01 -0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 1wr3 s VAL 22 Cb -0.15 -3.03 -0.09 0.00 -1.53 0.00 0.00 36.38 31.58 1wr3 s VAL 22 CO -0.10 0.34 1.08 0.21 -3.33 0.00 0.00 175.10 173.29 1wr3 s ASN 23 N 1.61 6.79 -0.18 3.54 3.84 0.68 -0.46 114.94 130.75 1wr3 s ASN 23 Ca 0.06 2.12 0.17 0.00 0.21 0.00 0.00 52.86 55.42 1wr3 s ASN 23 Cb -0.15 -2.60 -0.23 0.00 -0.55 0.00 0.00 41.25 37.72 1wr3 s ASN 23 CO 0.04 -0.47 0.07 1.41 -2.79 0.00 0.00 177.10 175.35 1wr3 n HIS 24 N 0.14 0.00 0.00 0.43 8.25 0.21 -2.57 115.22 121.69 1wr3 n HIS 24 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1wr3 n HIS 24 Cb 0.48 -0.91 -0.14 0.00 1.12 0.00 0.00 29.99 30.54 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 0.33 0.01 0.41 7.08 -1.94 -3.35 115.58 118.12 1wr3 h ASN 25 Ca -0.50 -0.87 0.00 0.00 -3.08 0.00 0.00 56.30 51.85 1wr3 h ASN 25 Cb 2.13 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 38.26 1wr3 h ASN 25 CO 0.03 1.46 -1.04 -3.20 -2.08 0.00 0.00 177.43 172.60 1wr3 n ASN 26 N -4.11 0.94 -2.04 6.14 5.15 -1.26 -4.97 115.26 115.11 1wr3 n ASN 26 Ca -0.20 -0.94 -0.17 0.00 -0.60 0.00 0.00 54.58 52.67 1wr3 n ASN 26 Cb 0.81 1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 41.06 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 -1.54 -1.70 -1.83 1.20 1.74 -1.06 -4.92 116.66 108.55 1wr3 n ARG 27 Ca 0.04 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 1wr3 n ARG 27 Cb 0.34 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.35 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wr3 s SER 28 N -2.21 6.54 -0.75 0.55 0.01 -1.25 -4.68 113.70 111.92 1wr3 s SER 28 Ca 0.00 2.51 0.03 0.00 1.31 0.00 0.00 55.95 59.81 1wr3 s SER 28 Cb 0.00 -2.54 0.24 0.00 0.21 0.00 0.00 66.02 63.93 1wr3 s SER 28 CO 0.00 -0.98 0.82 0.35 0.41 0.00 0.00 173.24 173.84 1wr3 n THR 29 N 5.27 2.75 -4.18 1.44 -2.24 -1.26 -0.23 114.28 115.84 1wr3 n THR 29 Ca 0.18 -5.26 -0.35 0.00 -2.27 0.00 0.00 64.05 56.35 1wr3 n THR 29 Cb 0.41 -2.15 -0.09 0.00 -2.10 0.00 0.00 70.33 66.41 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 -2.23 3.30 -0.15 -0.78 -2.07 -1.17 -4.96 119.66 111.60 1wr3 s GLN 30 Ca 0.35 -0.32 0.14 0.00 -1.82 0.00 0.00 55.36 53.70 1wr3 s GLN 30 Cb 0.08 -2.98 0.67 0.00 -1.09 0.00 0.00 33.01 29.69 1wr3 s GLN 30 CO -0.04 0.64 1.55 0.91 -1.32 0.00 0.00 175.29 177.03 1wr3 n TRP 31 N 2.38 1.56 -0.03 9.60 7.02 -1.26 -1.34 117.44 135.37 1wr3 n TRP 31 Ca -0.19 -0.57 0.04 0.00 -1.02 0.00 0.00 57.50 55.77 1wr3 n TRP 31 Cb 0.54 -0.34 0.10 0.00 -2.42 0.00 0.00 31.31 29.19 1wr3 n TRP 31 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1wr3 n HIS 32 N 0.74 0.29 -1.17 -5.99 1.44 -1.26 -4.77 115.22 104.49 1wr3 n HIS 32 Ca 0.23 -0.39 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1wr3 n HIS 32 Cb 0.94 -0.03 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 0.34 -3.19 -1.95 -1.40 0.63 -1.26 -4.76 116.66 105.08 1wr3 n ARG 33 Ca 0.08 2.32 -0.37 0.00 -0.92 0.00 0.00 57.85 58.97 1wr3 n ARG 33 Cb 0.35 -2.52 -0.03 0.00 0.45 0.00 0.00 32.46 30.71 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 -2.70 2.50 -0.95 -0.14 0.04 -1.26 -4.92 135.00 127.57 1wr3 s PRO 34 Ca 0.00 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.55 1wr3 s PRO 34 Cb 0.00 -4.49 0.17 0.00 0.04 0.00 0.00 34.50 30.23 1wr3 s PRO 34 CO 0.00 -2.92 1.06 -1.12 0.04 0.00 0.00 177.00 174.06 1wr3 s SER 35 N 8.89 6.78 0.00 6.66 0.01 -1.26 -4.99 113.70 129.79 1wr3 s SER 35 Ca 0.73 -2.47 0.29 0.00 1.31 0.00 0.00 55.95 55.81 1wr3 s SER 35 Cb -0.13 -2.33 1.32 0.00 0.21 0.00 0.00 66.02 65.09 1wr3 s SER 35 CO 0.20 -0.82 1.90 0.18 0.41 0.00 0.00 173.24 175.10