#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 0.22 -0.49 1.61 0.02 -1.92 -3.29 113.55 109.70 1wr3 h SER 2 Ca 0.00 -0.60 0.10 0.00 -0.84 0.00 0.00 61.79 60.45 1wr3 h SER 2 Cb 0.00 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.38 1wr3 h SER 2 CO 0.00 0.78 -0.17 -0.65 -1.14 0.00 0.00 176.83 175.65 1wr3 h PRO 3 N -0.33 -0.06 0.00 3.45 0.11 -1.99 -1.29 132.00 131.90 1wr3 h PRO 3 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wr3 h PRO 3 Cb 0.75 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1wr3 h PRO 3 CO 0.03 -0.04 0.00 -0.35 -0.21 0.00 0.00 178.00 177.43 1wr3 n PRO 4 N -5.38 0.73 -4.20 1.05 -0.04 -1.26 -4.77 135.00 121.13 1wr3 n PRO 4 Ca 0.04 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 1wr3 n PRO 4 Cb 0.29 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.09 3.80 0.81 1.53 2.96 -0.49 -5.10 118.68 120.10 1wr3 s LEU 5 Ca 0.36 0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1wr3 s LEU 5 Cb 0.17 -2.03 0.08 0.00 0.50 0.00 0.00 46.19 44.91 1wr3 s LEU 5 CO 0.31 0.34 1.11 -2.84 -1.32 0.00 0.00 176.35 173.95 1wr3 s PRO 6 N -1.27 1.92 0.09 0.98 0.02 -1.26 -4.88 135.00 130.59 1wr3 s PRO 6 Ca 0.17 1.30 -0.35 0.00 0.02 0.00 0.00 61.00 62.14 1wr3 s PRO 6 Cb -0.12 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.41 1wr3 s PRO 6 CO 0.07 -1.92 1.56 -2.30 -0.33 0.00 0.00 177.00 174.09 1wr3 n PRO 7 N -3.67 1.85 0.00 5.54 -0.02 -1.26 -1.55 135.00 135.88 1wr3 n PRO 7 Ca 0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1wr3 n PRO 7 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.35 3.08 3.70 -1.23 0.00 -1.26 -4.86 105.19 107.98 1wr3 n GLY 8 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.93 3.42 -0.08 1.61 0.52 -0.60 0.69 118.94 121.57 1wr3 s TRP 9 Ca 0.00 1.39 0.04 0.00 0.02 0.00 0.00 56.10 57.55 1wr3 s TRP 9 Cb 0.00 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.99 1wr3 s TRP 9 CO 0.00 -0.90 -0.20 -2.00 0.02 0.00 0.00 176.95 173.87 1wr3 s GLU 10 N 1.49 2.43 -0.17 4.98 2.12 0.10 -4.84 118.70 124.81 1wr3 s GLU 10 Ca 0.55 -0.71 -0.26 0.00 0.36 0.00 0.00 54.97 54.91 1wr3 s GLU 10 Cb -0.25 -1.92 -0.01 0.00 0.26 0.00 0.00 34.13 32.21 1wr3 s GLU 10 CO 0.26 0.17 0.88 -2.00 -0.54 0.00 0.00 175.26 174.03 1wr3 s GLU 11 N 0.33 4.31 0.20 4.30 2.12 -1.26 0.65 118.70 129.35 1wr3 s GLU 11 Ca -0.14 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.33 1wr3 s GLU 11 Cb -0.16 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1wr3 s GLU 11 CO 0.06 -0.36 0.11 1.63 -0.54 0.00 0.00 175.26 176.15 1wr3 n LYS 12 N 5.34 0.54 -4.22 4.30 5.02 0.10 -4.91 118.16 124.33 1wr3 n LYS 12 Ca 0.06 -1.83 -0.18 0.00 -2.02 0.00 0.00 58.31 54.34 1wr3 n LYS 12 Cb 0.48 1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 36.53 1wr3 n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wr3 s VAL 13 N -2.51 0.54 -0.18 -0.18 0.11 -1.26 -0.45 120.40 116.47 1wr3 s VAL 13 Ca 0.15 -0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1wr3 s VAL 13 Cb 0.01 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1wr3 s VAL 13 CO 0.11 0.18 0.10 -0.62 -3.33 0.00 0.00 175.10 171.54 1wr3 s ASP 14 N 0.26 5.94 -1.77 3.54 2.15 0.76 -4.35 116.67 123.21 1wr3 s ASP 14 Ca -0.03 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1wr3 s ASP 14 Cb -0.07 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1wr3 s ASP 14 CO -0.00 0.21 0.00 -3.20 -0.17 0.00 0.00 175.17 172.01 1wr3 n ASN 15 N 3.30 -5.26 -1.87 -0.34 4.05 -1.26 -0.79 115.26 113.09 1wr3 n ASN 15 Ca -0.17 0.20 -0.20 0.00 0.45 0.00 0.00 54.58 54.86 1wr3 n ASN 15 Cb 0.52 -4.51 -0.06 0.00 1.23 0.00 0.00 39.78 36.97 1wr3 n ASN 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1wr3 n LEU 16 N -2.69 -1.60 0.01 1.20 4.77 -1.26 -4.70 117.00 112.73 1wr3 n LEU 16 Ca -0.21 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1wr3 n LEU 16 Cb 0.65 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 1wr3 n LEU 16 CO 0.27 -0.76 -0.04 0.61 -1.33 0.00 0.00 177.39 176.15 1wr3 n GLY 17 N -0.59 -0.03 3.44 -0.72 0.00 -0.43 -5.00 105.19 101.87 1wr3 n GLY 17 Ca -0.21 0.00 -0.44 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 -2.00 3.57 -0.41 1.61 0.52 0.03 -4.84 118.95 117.43 1wr3 s ARG 18 Ca 0.00 -1.79 -0.28 0.00 -0.52 0.00 0.00 55.73 53.14 1wr3 s ARG 18 Cb 0.00 -4.84 -0.03 0.00 0.52 0.00 0.00 34.95 30.60 1wr3 s ARG 18 CO 0.00 -1.72 1.93 0.99 0.02 0.00 0.00 175.30 176.52 1wr3 s THR 19 N 2.49 3.34 0.52 0.02 2.01 -1.26 -0.17 115.64 122.58 1wr3 s THR 19 Ca 0.31 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1wr3 s THR 19 Cb -0.06 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1wr3 s THR 19 CO -0.09 -0.45 0.15 0.00 -0.69 0.00 0.00 174.62 173.55 1wr3 n TYR 20 N 11.72 0.49 -4.50 4.92 4.11 0.40 -4.82 117.16 129.49 1wr3 n TYR 20 Ca 0.25 -2.41 -0.29 0.00 -0.00 0.00 0.00 57.90 55.45 1wr3 n TYR 20 Cb 0.49 -0.37 -0.17 0.00 -0.00 0.00 0.00 39.34 39.29 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 -2.76 2.05 -0.25 -3.48 2.02 -0.73 0.03 117.35 114.22 1wr3 s TYR 21 Ca 0.12 -0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 55.80 1wr3 s TYR 21 Cb -0.01 -1.47 -0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1wr3 s TYR 21 CO 0.07 -0.49 0.01 0.54 -1.57 0.00 0.00 175.55 174.12 1wr3 s VAL 22 N 0.95 3.67 0.17 0.71 0.11 0.21 -3.13 120.40 123.09 1wr3 s VAL 22 Ca -0.07 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.12 1wr3 s VAL 22 Cb -0.15 -2.77 -0.09 0.00 -1.53 0.00 0.00 36.38 31.85 1wr3 s VAL 22 CO -0.01 0.28 1.39 0.21 -3.33 0.00 0.00 175.10 173.63 1wr3 s ASN 23 N 1.49 6.80 0.09 3.54 3.84 -1.05 0.01 114.94 129.66 1wr3 s ASN 23 Ca 0.04 2.43 0.16 0.00 0.21 0.00 0.00 52.86 55.70 1wr3 s ASN 23 Cb -0.16 -2.60 -0.11 0.00 -0.55 0.00 0.00 41.25 37.83 1wr3 s ASN 23 CO -0.00 -0.63 0.94 0.45 -2.79 0.00 0.00 177.10 175.07 1wr3 h HIS 24 N 6.01 0.00 0.03 0.43 3.86 -0.08 0.90 115.15 126.31 1wr3 h HIS 24 Ca -0.44 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.48 1wr3 h HIS 24 Cb 1.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.64 1wr3 h HIS 24 CO 0.63 0.63 -1.61 -2.95 0.86 0.00 0.00 177.93 175.49 1wr3 h ASN 25 N 0.00 0.11 0.00 2.45 7.08 -1.89 -3.38 115.58 119.94 1wr3 h ASN 25 Ca -0.14 -0.20 -0.00 0.00 -3.08 0.00 0.00 56.30 52.88 1wr3 h ASN 25 Cb 1.60 -0.04 -0.00 0.00 -2.08 0.00 0.00 38.32 37.80 1wr3 h ASN 25 CO 0.06 1.17 -1.32 -3.20 -2.08 0.00 0.00 177.43 172.06 1wr3 n ASN 26 N -3.20 3.43 -3.38 6.14 5.15 -1.26 -5.02 115.26 117.12 1wr3 n ASN 26 Ca -0.16 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.57 1wr3 n ASN 26 Cb 1.03 1.29 0.04 0.00 -0.53 0.00 0.00 39.78 41.62 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 -1.75 -5.48 -2.45 1.20 1.74 0.31 -4.96 116.66 105.27 1wr3 n ARG 27 Ca -0.02 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.39 1wr3 n ARG 27 Cb 0.19 -5.65 -0.02 0.00 -1.02 0.00 0.00 32.46 25.96 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 -2.96 6.72 -1.09 0.55 0.01 -1.25 -4.78 113.70 110.90 1wr3 s SER 28 Ca 0.46 1.20 -0.06 0.00 1.31 0.00 0.00 55.95 58.86 1wr3 s SER 28 Cb -0.21 -2.54 0.30 0.00 0.21 0.00 0.00 66.02 63.77 1wr3 s SER 28 CO 0.56 -1.04 1.34 0.35 0.41 0.00 0.00 173.24 174.87 1wr3 n THR 29 N 6.13 5.02 -4.22 1.44 -2.24 -1.26 -2.54 114.28 116.60 1wr3 n THR 29 Ca 0.14 -5.73 -0.35 0.00 -2.27 0.00 0.00 64.05 55.83 1wr3 n THR 29 Cb 0.47 -2.26 -0.08 0.00 -2.10 0.00 0.00 70.33 66.35 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 -2.26 3.12 0.00 -0.78 -2.07 -1.18 -4.94 119.66 111.54 1wr3 s GLN 30 Ca 0.31 -0.33 0.22 0.00 -1.82 0.00 0.00 55.36 53.74 1wr3 s GLN 30 Cb -0.00 -2.91 0.54 0.00 -1.09 0.00 0.00 33.01 29.55 1wr3 s GLN 30 CO 0.04 0.72 1.47 -2.67 -1.32 0.00 0.00 175.29 173.53 1wr3 n TRP 31 N 2.07 0.70 -0.21 9.60 2.14 -1.26 -1.78 117.44 128.70 1wr3 n TRP 31 Ca -0.19 -0.35 0.09 0.00 2.07 0.00 0.00 57.50 59.13 1wr3 n TRP 31 Cb 0.54 0.00 0.24 0.00 -0.81 0.00 0.00 31.31 31.28 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 1.42 0.72 -1.44 -2.67 1.44 -1.26 -4.80 115.22 108.62 1wr3 n HIS 32 Ca 0.21 -0.46 0.00 0.00 -2.01 0.00 0.00 57.72 55.46 1wr3 n HIS 32 Cb 0.57 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.67 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 1.21 -3.81 -1.86 -1.40 0.63 -1.26 -4.82 116.66 105.34 1wr3 n ARG 33 Ca 0.19 2.79 -0.43 0.00 -0.92 0.00 0.00 57.85 59.48 1wr3 n ARG 33 Cb 0.54 -2.97 -0.03 0.00 0.45 0.00 0.00 32.46 30.46 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 -2.12 3.80 0.38 -0.14 0.04 -1.26 -4.98 135.00 130.73 1wr3 s PRO 34 Ca 0.00 2.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 1wr3 s PRO 34 Cb 0.00 -4.14 -0.10 0.00 0.04 0.00 0.00 34.50 30.31 1wr3 s PRO 34 CO 0.00 -1.31 1.00 -1.12 0.04 0.00 0.00 177.00 175.61 1wr3 s SER 35 N 5.04 6.97 0.00 6.66 0.01 -1.26 -4.97 113.70 126.15 1wr3 s SER 35 Ca 0.83 1.93 0.00 0.00 1.31 0.00 0.00 55.95 60.01 1wr3 s SER 35 Cb -0.33 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1wr3 s SER 35 CO 0.34 -0.34 0.29 0.18 0.41 0.00 0.00 173.24 174.13