#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 4.91 0.24 1.61 1.04 -1.26 -5.08 113.70 115.16 1wr3 s SER 2 Ca 0.00 -0.17 -0.31 0.00 0.48 0.00 0.00 55.95 55.96 1wr3 s SER 2 Cb 0.00 -1.84 -0.11 0.00 0.10 0.00 0.00 66.02 64.18 1wr3 s SER 2 CO 0.00 0.08 1.56 -2.16 0.98 0.00 0.00 173.24 173.70 1wr3 s PRO 3 N 0.90 4.18 0.44 4.02 0.04 -1.26 -4.91 135.00 138.42 1wr3 s PRO 3 Ca 0.01 2.46 0.15 0.00 0.04 0.00 0.00 61.00 63.66 1wr3 s PRO 3 Cb -0.14 -3.08 1.07 0.00 0.04 0.00 0.00 34.50 32.38 1wr3 s PRO 3 CO 0.02 -0.58 1.97 -1.35 0.04 0.00 0.00 177.00 177.10 1wr3 h PRO 4 N 5.54 0.36 -3.13 0.56 0.11 -2.04 -3.38 132.00 130.03 1wr3 h PRO 4 Ca -0.45 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.22 1wr3 h PRO 4 Cb 1.21 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 1wr3 h PRO 4 CO 0.83 0.24 -0.74 -1.17 -0.21 0.00 0.00 178.00 176.96 1wr3 s LEU 5 N -9.29 0.23 0.77 2.35 2.96 -1.26 -4.84 118.68 109.59 1wr3 s LEU 5 Ca -0.07 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 1wr3 s LEU 5 Cb 0.20 -0.15 0.06 0.00 0.50 0.00 0.00 46.19 46.80 1wr3 s LEU 5 CO 0.75 -0.31 1.15 -2.84 -1.32 0.00 0.00 176.35 173.78 1wr3 s PRO 6 N 2.17 2.03 -0.00 0.98 0.02 -1.26 -4.94 135.00 133.99 1wr3 s PRO 6 Ca 0.03 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 1wr3 s PRO 6 Cb -0.14 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1wr3 s PRO 6 CO -0.07 -1.87 1.71 -2.14 -0.33 0.00 0.00 177.00 174.31 1wr3 s PRO 7 N -4.35 4.18 0.00 5.54 0.02 -1.26 -2.37 135.00 136.76 1wr3 s PRO 7 Ca 0.68 2.31 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1wr3 s PRO 7 Cb -0.23 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.37 1wr3 s PRO 7 CO 0.50 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1wr3 n GLY 8 N 4.17 1.72 3.60 0.52 0.00 -1.26 -4.93 105.19 109.01 1wr3 n GLY 8 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 3.16 -0.08 1.61 0.52 -1.00 0.68 118.94 121.77 1wr3 s TRP 9 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 56.10 56.78 1wr3 s TRP 9 Cb 0.00 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 1wr3 s TRP 9 CO 0.00 -0.63 -0.08 -2.00 0.02 0.00 0.00 176.95 174.27 1wr3 s GLU 10 N 2.96 2.91 -0.50 4.98 2.12 -0.01 -4.89 118.70 126.26 1wr3 s GLU 10 Ca 0.31 -0.57 -0.25 0.00 0.36 0.00 0.00 54.97 54.81 1wr3 s GLU 10 Cb -0.14 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.66 1wr3 s GLU 10 CO 0.14 0.56 0.97 -2.00 -0.54 0.00 0.00 175.26 174.40 1wr3 s GLU 11 N -0.54 3.47 -0.05 4.30 2.12 -1.26 -0.39 118.70 126.35 1wr3 s GLU 11 Ca 0.08 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1wr3 s GLU 11 Cb -0.12 -3.98 0.02 0.00 0.26 0.00 0.00 34.13 30.32 1wr3 s GLU 11 CO 0.02 -1.37 -0.06 0.15 -0.54 0.00 0.00 175.26 173.46 1wr3 s LYS 12 N 3.98 1.02 0.33 4.30 1.02 0.22 -4.96 119.74 125.65 1wr3 s LYS 12 Ca 0.36 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 1wr3 s LYS 12 Cb -0.10 -0.99 -0.10 0.00 -0.52 0.00 0.00 37.83 36.12 1wr3 s LYS 12 CO 0.24 -0.07 0.96 0.14 -0.92 0.00 0.00 175.35 175.70 1wr3 s VAL 13 N 0.93 4.14 0.93 3.17 -7.23 -1.26 0.30 120.40 121.39 1wr3 s VAL 13 Ca -0.11 1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 61.73 1wr3 s VAL 13 Cb -0.14 -3.99 0.15 0.00 0.56 0.00 0.00 36.38 32.95 1wr3 s VAL 13 CO 0.00 0.15 1.11 -0.62 -0.31 0.00 0.00 175.10 175.43 1wr3 s ASP 14 N -1.57 3.28 0.65 4.85 -1.08 -0.09 -4.80 116.67 117.91 1wr3 s ASP 14 Ca 0.50 1.15 0.39 0.00 -0.52 0.00 0.00 52.55 54.07 1wr3 s ASP 14 Cb -0.20 -1.79 2.15 0.00 -1.46 0.00 0.00 42.92 41.63 1wr3 s ASP 14 CO 0.25 -2.72 2.25 -1.13 0.52 0.00 0.00 175.17 174.34 1wr3 h ASN 15 N -1.61 0.00 -0.26 -0.34 -1.24 -1.97 0.13 115.58 110.29 1wr3 h ASN 15 Ca -0.52 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.49 1wr3 h ASN 15 Cb 1.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1wr3 h ASN 15 CO 0.59 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.91 1wr3 n LEU 16 N -3.19 2.27 -0.80 0.34 4.77 -1.26 -4.93 117.00 114.20 1wr3 n LEU 16 Ca -0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1wr3 n LEU 16 Cb 0.16 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1wr3 n LEU 16 CO 0.20 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1wr3 n GLY 17 N 1.25 0.58 2.99 -0.72 0.00 0.44 -5.05 105.19 104.68 1wr3 n GLY 17 Ca 0.17 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.85 1.48 -0.55 1.61 0.52 -1.24 -4.87 118.95 112.05 1wr3 s ARG 18 Ca 0.00 -1.91 -0.26 0.00 -0.52 0.00 0.00 55.73 53.04 1wr3 s ARG 18 Cb 0.00 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 1wr3 s ARG 18 CO 0.00 -0.97 2.18 0.99 0.02 0.00 0.00 175.30 177.52 1wr3 s THR 19 N 0.81 3.15 0.44 0.02 2.01 -1.26 -0.91 115.64 119.90 1wr3 s THR 19 Ca 0.12 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.27 1wr3 s THR 19 Cb -0.20 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1wr3 s THR 19 CO -0.08 -0.40 0.42 -0.72 -0.69 0.00 0.00 174.62 173.16 1wr3 s TYR 20 N 10.96 2.49 -0.30 4.92 -0.85 0.15 -4.75 117.35 129.97 1wr3 s TYR 20 Ca 0.85 -0.55 -0.00 0.00 -0.52 0.00 0.00 57.07 56.85 1wr3 s TYR 20 Cb -0.15 -2.16 0.06 0.00 0.38 0.00 0.00 41.96 40.09 1wr3 s TYR 20 CO 0.23 -0.26 -0.01 0.71 -1.52 0.00 0.00 175.55 174.70 1wr3 s TYR 21 N -2.51 3.32 -0.38 -3.49 1.51 -0.45 -0.61 117.35 114.75 1wr3 s TYR 21 Ca 0.48 -2.09 -0.17 0.00 -1.01 0.00 0.00 57.07 54.27 1wr3 s TYR 21 Cb -0.04 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1wr3 s TYR 21 CO 0.28 -0.84 0.47 0.54 -1.11 0.00 0.00 175.55 174.89 1wr3 s VAL 22 N 1.19 5.05 -0.27 0.71 0.11 0.48 -2.79 120.40 124.88 1wr3 s VAL 22 Ca -0.04 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.78 1wr3 s VAL 22 Cb -0.20 -3.97 -0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1wr3 s VAL 22 CO -0.03 -0.28 1.61 0.21 -3.33 0.00 0.00 175.10 173.28 1wr3 s ASN 23 N 1.79 6.29 0.00 3.54 3.84 0.07 -0.83 114.94 129.65 1wr3 s ASN 23 Ca 0.16 1.43 0.07 0.00 0.21 0.00 0.00 52.86 54.72 1wr3 s ASN 23 Cb -0.16 -2.53 0.39 0.00 -0.55 0.00 0.00 41.25 38.40 1wr3 s ASN 23 CO 0.14 -1.36 1.01 1.41 -2.79 0.00 0.00 177.10 175.51 1wr3 n HIS 24 N 8.81 0.00 -0.06 0.43 8.25 0.21 0.34 115.22 133.21 1wr3 n HIS 24 Ca 0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1wr3 n HIS 24 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 1wr3 n HIS 24 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wr3 n ASN 25 N -0.64 1.59 0.03 0.41 3.02 -1.26 -4.61 115.26 113.80 1wr3 n ASN 25 Ca 0.05 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.98 1wr3 n ASN 25 Cb 0.02 -0.65 0.16 0.00 -0.61 0.00 0.00 39.78 38.71 1wr3 n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wr3 n ASN 26 N -4.09 0.61 -2.96 6.41 5.15 -1.24 -4.97 115.26 114.18 1wr3 n ASN 26 Ca -0.10 -0.09 -0.15 0.00 -0.60 0.00 0.00 54.58 53.64 1wr3 n ASN 26 Cb 0.39 0.34 0.07 0.00 -0.53 0.00 0.00 39.78 40.05 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 -1.87 -5.58 -3.01 1.20 1.74 0.15 -5.00 116.66 104.29 1wr3 n ARG 27 Ca 0.04 0.68 -0.40 0.00 -0.77 0.00 0.00 57.85 57.39 1wr3 n ARG 27 Cb 0.40 -5.21 -0.05 0.00 -1.02 0.00 0.00 32.46 26.59 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 -3.89 6.90 -0.81 0.55 0.01 -1.18 -4.83 113.70 110.46 1wr3 s SER 28 Ca 0.11 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.49 1wr3 s SER 28 Cb -0.05 -2.41 0.23 0.00 0.21 0.00 0.00 66.02 64.00 1wr3 s SER 28 CO 0.59 -0.25 0.82 0.35 0.41 0.00 0.00 173.24 175.15 1wr3 n THR 29 N 4.32 2.89 -4.18 1.44 -2.24 -1.26 -0.75 114.28 114.50 1wr3 n THR 29 Ca 0.01 -5.22 -0.34 0.00 -2.27 0.00 0.00 64.05 56.22 1wr3 n THR 29 Cb 0.50 -2.21 -0.10 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 -1.95 3.77 -0.16 -0.78 -2.07 -1.12 -4.82 119.66 112.53 1wr3 s GLN 30 Ca 0.32 -0.41 0.04 0.00 -1.82 0.00 0.00 55.36 53.49 1wr3 s GLN 30 Cb 0.02 -3.07 0.36 0.00 -1.09 0.00 0.00 33.01 29.23 1wr3 s GLN 30 CO -0.07 0.31 1.25 -2.67 -1.32 0.00 0.00 175.29 172.79 1wr3 n TRP 31 N 3.38 1.20 -0.08 9.60 2.14 -1.26 -1.34 117.44 131.08 1wr3 n TRP 31 Ca -0.17 -0.71 0.00 0.00 2.07 0.00 0.00 57.50 58.69 1wr3 n TRP 31 Cb 0.52 -0.43 0.00 0.00 -0.81 0.00 0.00 31.31 30.60 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 0.03 0.00 -1.02 -2.67 1.44 -1.26 -4.86 115.22 106.88 1wr3 n HIS 32 Ca 0.20 -0.35 0.04 0.00 -2.01 0.00 0.00 57.72 55.60 1wr3 n HIS 32 Cb 0.87 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.92 1wr3 n HIS 32 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wr3 n ARG 33 N -0.35 -2.56 0.00 -1.40 1.74 -1.22 -4.50 116.66 108.37 1wr3 n ARG 33 Ca 0.00 2.03 0.00 0.00 -0.77 0.00 0.00 57.85 59.11 1wr3 n ARG 33 Cb 0.21 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1wr3 n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wr3 n PRO 34 N -2.72 0.87 -2.44 5.56 -0.04 -1.26 -4.73 135.00 130.24 1wr3 n PRO 34 Ca -0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 1wr3 n PRO 34 Cb 0.37 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wr3 s SER 35 N -0.69 6.07 0.00 3.54 0.01 -1.26 -5.11 113.70 116.25 1wr3 s SER 35 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1wr3 s SER 35 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1wr3 s SER 35 CO 0.00 -1.83 0.03 -0.11 0.41 0.00 0.00 173.24 171.73