#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 6.62 0.23 1.61 1.04 -1.26 -4.96 113.70 116.98 1wr3 s SER 2 Ca 0.00 1.56 -0.07 0.00 0.48 0.00 0.00 55.95 57.92 1wr3 s SER 2 Cb 0.00 -2.51 0.40 0.00 0.10 0.00 0.00 66.02 64.01 1wr3 s SER 2 CO 0.00 -0.58 1.69 -0.65 0.98 0.00 0.00 173.24 174.68 1wr3 h PRO 3 N 0.93 0.26 0.00 4.02 0.11 -2.00 -0.26 132.00 135.05 1wr3 h PRO 3 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wr3 h PRO 3 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1wr3 h PRO 3 CO 0.61 0.17 0.00 -0.35 -0.21 0.00 0.00 178.00 178.23 1wr3 n PRO 4 N -5.15 0.66 -3.38 1.05 -0.04 -1.26 -4.73 135.00 122.16 1wr3 n PRO 4 Ca 0.12 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.22 1wr3 n PRO 4 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1wr3 n PRO 4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wr3 s LEU 5 N -2.10 4.29 0.64 1.53 2.96 -0.11 -5.07 118.68 120.82 1wr3 s LEU 5 Ca 0.33 0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 54.83 1wr3 s LEU 5 Cb 0.16 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 1wr3 s LEU 5 CO 0.28 0.05 1.22 -2.84 -1.32 0.00 0.00 176.35 173.75 1wr3 s PRO 6 N 0.43 2.65 -0.19 0.98 0.02 -1.26 -4.75 135.00 132.88 1wr3 s PRO 6 Ca 0.24 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.78 1wr3 s PRO 6 Cb -0.15 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1wr3 s PRO 6 CO 0.09 -1.46 2.11 -2.30 -0.33 0.00 0.00 177.00 175.12 1wr3 n PRO 7 N -2.00 1.91 0.00 5.54 -0.02 -1.26 -1.71 135.00 137.46 1wr3 n PRO 7 Ca 0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1wr3 n PRO 7 Cb 0.50 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 5.51 1.46 3.72 -1.23 0.00 -1.26 -4.90 105.19 108.49 1wr3 n GLY 8 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.25 3.62 0.12 1.61 0.52 -0.70 0.79 118.94 123.65 1wr3 s TRP 9 Ca 0.00 1.38 0.06 0.00 0.02 0.00 0.00 56.10 57.56 1wr3 s TRP 9 Cb 0.00 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 1wr3 s TRP 9 CO 0.00 0.10 -0.13 -2.00 0.02 0.00 0.00 176.95 174.93 1wr3 s GLU 10 N 0.71 1.00 -0.20 4.98 2.56 -0.02 -4.15 118.70 123.58 1wr3 s GLU 10 Ca 0.41 -1.24 -0.25 0.00 0.00 0.00 0.00 54.97 53.89 1wr3 s GLU 10 Cb -0.19 -0.85 -0.01 0.00 2.00 0.00 0.00 34.13 35.08 1wr3 s GLU 10 CO 0.21 0.16 0.82 -2.00 -0.56 0.00 0.00 175.26 173.89 1wr3 s GLU 11 N -2.73 4.24 0.02 4.30 2.12 -1.26 0.11 118.70 125.50 1wr3 s GLU 11 Ca 0.09 0.97 0.03 0.00 0.36 0.00 0.00 54.97 56.42 1wr3 s GLU 11 Cb -0.04 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1wr3 s GLU 11 CO 0.03 -0.41 -0.09 0.15 -0.54 0.00 0.00 175.26 174.40 1wr3 s LYS 12 N 2.45 0.62 -0.19 4.30 1.02 0.11 -4.94 119.74 123.10 1wr3 s LYS 12 Ca 0.36 -0.53 -0.09 0.00 0.02 0.00 0.00 55.97 55.73 1wr3 s LYS 12 Cb -0.16 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 1wr3 s LYS 12 CO 0.10 0.13 0.12 0.08 -0.92 0.00 0.00 175.35 174.86 1wr3 s VAL 13 N -0.72 5.35 0.01 3.17 1.01 -1.26 0.22 120.40 128.17 1wr3 s VAL 13 Ca -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1wr3 s VAL 13 Cb -0.06 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1wr3 s VAL 13 CO 0.00 0.46 1.04 -0.78 0.00 0.00 0.00 175.10 175.82 1wr3 h ASP 14 N 6.54 -0.15 0.00 3.32 3.58 -1.60 -3.45 116.42 124.65 1wr3 h ASP 14 Ca -0.42 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1wr3 h ASP 14 Cb 1.16 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1wr3 h ASP 14 CO 0.74 -0.11 -0.47 -0.46 -2.88 0.00 0.00 179.24 176.06 1wr3 n ASN 15 N -2.50 0.14 -2.70 2.28 6.94 -1.26 -5.03 115.26 113.12 1wr3 n ASN 15 Ca -0.02 0.07 -0.06 0.00 -0.02 0.00 0.00 54.58 54.55 1wr3 n ASN 15 Cb 0.07 -0.01 0.06 0.00 -2.36 0.00 0.00 39.78 37.54 1wr3 n ASN 15 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1wr3 n LEU 16 N -2.96 -1.93 0.00 -4.53 0.00 -1.26 -5.01 117.00 101.30 1wr3 n LEU 16 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 56.01 53.75 1wr3 n LEU 16 Cb 0.24 0.65 0.00 0.00 0.00 0.00 0.00 43.42 44.31 1wr3 n LEU 16 CO 0.00 1.70 0.00 0.61 0.00 0.00 0.00 177.39 179.70 1wr3 n GLY 17 N 1.72 2.31 3.54 -3.96 0.00 -1.26 -5.07 105.19 102.48 1wr3 n GLY 17 Ca 0.05 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 3.47 -0.75 1.61 1.70 -1.26 -4.94 118.95 118.78 1wr3 s ARG 18 Ca 0.00 -0.96 -0.26 0.00 -0.47 0.00 0.00 55.73 54.04 1wr3 s ARG 18 Cb 0.00 -4.98 0.04 0.00 -0.57 0.00 0.00 34.95 29.44 1wr3 s ARG 18 CO 0.00 -2.13 1.23 0.99 -1.08 0.00 0.00 175.30 174.30 1wr3 s THR 19 N 4.89 3.88 0.54 4.99 2.01 -1.26 -1.37 115.64 129.32 1wr3 s THR 19 Ca 0.41 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.57 1wr3 s THR 19 Cb -0.03 -4.88 0.05 0.00 0.01 0.00 0.00 72.50 67.65 1wr3 s THR 19 CO -0.03 -1.78 0.45 0.00 -0.69 0.00 0.00 174.62 172.57 1wr3 n TYR 20 N 8.94 -0.85 -4.42 4.92 4.11 0.13 -4.86 117.16 125.13 1wr3 n TYR 20 Ca 0.05 -2.22 -0.33 0.00 -0.00 0.00 0.00 57.90 55.40 1wr3 n TYR 20 Cb 0.48 -0.45 -0.16 0.00 -0.00 0.00 0.00 39.34 39.21 1wr3 n TYR 20 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1wr3 s TYR 21 N -2.62 2.73 -0.30 -3.48 1.51 -0.78 -0.72 117.35 113.70 1wr3 s TYR 21 Ca 0.34 -1.45 -0.09 0.00 -1.01 0.00 0.00 57.07 54.86 1wr3 s TYR 21 Cb -0.03 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1wr3 s TYR 21 CO 0.22 -0.69 0.13 0.54 -1.11 0.00 0.00 175.55 174.64 1wr3 s VAL 22 N 1.03 4.49 -0.17 0.71 0.11 0.12 -3.32 120.40 123.36 1wr3 s VAL 22 Ca -0.02 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 1wr3 s VAL 22 Cb -0.14 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1wr3 s VAL 22 CO -0.07 0.12 1.44 0.21 -3.33 0.00 0.00 175.10 173.48 1wr3 s ASN 23 N 1.60 6.72 0.35 3.54 3.84 -1.26 -0.84 114.94 128.89 1wr3 s ASN 23 Ca 0.05 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.13 1wr3 s ASN 23 Cb -0.17 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.89 1wr3 s ASN 23 CO 0.05 -0.95 1.77 0.45 -2.79 0.00 0.00 177.10 175.64 1wr3 h HIS 24 N 9.22 0.00 0.00 0.43 3.86 0.02 0.17 115.15 128.85 1wr3 h HIS 24 Ca -0.31 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.50 1wr3 h HIS 24 Cb 1.13 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.53 1wr3 h HIS 24 CO 0.86 0.00 -2.46 0.27 0.86 0.00 0.00 177.93 177.46 1wr3 n ASN 25 N -2.61 2.00 -0.34 2.45 0.23 -1.26 -4.63 115.26 111.09 1wr3 n ASN 25 Ca 0.03 0.01 0.04 0.00 -0.53 0.00 0.00 54.58 54.14 1wr3 n ASN 25 Cb 0.36 -0.52 0.04 0.00 -2.08 0.00 0.00 39.78 37.58 1wr3 n ASN 25 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1wr3 n ASN 26 N -3.55 1.77 -4.16 0.53 4.13 -1.25 -5.01 115.26 107.73 1wr3 n ASN 26 Ca -0.47 -1.40 -0.31 0.00 1.68 0.00 0.00 54.58 54.08 1wr3 n ASN 26 Cb 0.94 -0.01 -0.08 0.00 -1.54 0.00 0.00 39.78 39.10 1wr3 n ASN 26 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1wr3 n ARG 27 N 0.45 -0.84 -2.68 3.52 0.00 0.60 -4.87 116.66 112.84 1wr3 n ARG 27 Ca 0.05 0.07 -0.43 0.00 -0.00 0.00 0.00 57.85 57.54 1wr3 n ARG 27 Cb 0.22 -3.12 0.00 0.00 -0.00 0.00 0.00 32.46 29.56 1wr3 n ARG 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wr3 n SER 28 N -2.52 5.02 -3.93 2.89 7.64 -1.26 -4.83 113.62 116.64 1wr3 n SER 28 Ca -0.27 -2.96 -0.41 0.00 1.01 0.00 0.00 58.87 56.24 1wr3 n SER 28 Cb 0.62 -1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.17 1wr3 n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wr3 n THR 29 N 5.17 2.85 -4.20 0.44 -2.24 -1.26 -4.18 114.28 110.86 1wr3 n THR 29 Ca 0.43 -2.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.24 1wr3 n THR 29 Cb 0.43 -2.43 -0.08 0.00 -2.10 0.00 0.00 70.33 66.15 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 4.30 2.98 -0.09 -0.78 -2.07 -1.21 -4.93 119.66 117.86 1wr3 s GLN 30 Ca 0.54 -0.49 0.17 0.00 -1.82 0.00 0.00 55.36 53.75 1wr3 s GLN 30 Cb 0.11 -2.80 0.64 0.00 -1.09 0.00 0.00 33.01 29.87 1wr3 s GLN 30 CO 0.03 0.66 1.53 -2.67 -1.32 0.00 0.00 175.29 173.52 1wr3 n TRP 31 N 1.48 1.29 -0.68 9.60 2.14 -1.26 -1.86 117.44 128.15 1wr3 n TRP 31 Ca -0.15 -0.52 0.08 0.00 2.07 0.00 0.00 57.50 58.98 1wr3 n TRP 31 Cb 0.53 -0.20 0.28 0.00 -0.81 0.00 0.00 31.31 31.11 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 1.05 1.08 -1.07 -2.67 1.44 -1.26 -4.79 115.22 109.00 1wr3 n HIS 32 Ca 0.23 -0.70 0.00 0.00 -2.01 0.00 0.00 57.72 55.24 1wr3 n HIS 32 Cb 0.78 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 0.31 -2.97 -0.75 -1.40 0.63 -1.25 -4.49 116.66 106.74 1wr3 n ARG 33 Ca 0.21 2.25 -0.25 0.00 -0.92 0.00 0.00 57.85 59.14 1wr3 n ARG 33 Cb 0.81 -2.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.04 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 -1.53 1.68 0.00 -0.14 -0.04 -1.26 -4.77 135.00 128.94 1wr3 n PRO 34 Ca 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1wr3 n PRO 34 Cb 0.15 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1wr3 n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wr3 n SER 35 N 5.16 0.00 -0.88 3.54 7.64 -1.26 -4.99 113.62 122.83 1wr3 n SER 35 Ca 0.41 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.41 1wr3 n SER 35 Cb 0.19 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.56 1wr3 n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21