#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 -0.16 -3.61 1.61 0.02 -1.97 -3.46 113.55 105.97 1wr3 h SER 2 Ca 0.00 -0.38 -0.50 0.00 -0.84 0.00 0.00 61.79 60.07 1wr3 h SER 2 Cb 0.00 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1wr3 h SER 2 CO 0.00 0.43 0.05 -2.16 -1.14 0.00 0.00 176.83 174.00 1wr3 s PRO 3 N -3.19 3.84 0.07 3.45 0.04 -1.26 -5.04 135.00 132.91 1wr3 s PRO 3 Ca -0.12 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.07 1wr3 s PRO 3 Cb 0.00 -2.47 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1wr3 s PRO 3 CO 0.46 0.11 1.54 -2.14 0.04 0.00 0.00 177.00 177.01 1wr3 s PRO 4 N -3.36 4.24 -0.17 0.56 0.02 -1.26 -4.95 135.00 130.07 1wr3 s PRO 4 Ca 0.51 2.21 -0.29 0.00 0.02 0.00 0.00 61.00 63.44 1wr3 s PRO 4 Cb -0.10 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 1wr3 s PRO 4 CO 0.25 -0.64 1.56 -1.17 -0.33 0.00 0.00 177.00 176.67 1wr3 s LEU 5 N 2.19 4.04 0.62 -5.54 2.96 -1.26 -4.98 118.68 116.72 1wr3 s LEU 5 Ca 0.70 1.77 -0.18 0.00 -0.22 0.00 0.00 54.13 56.19 1wr3 s LEU 5 Cb -0.38 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.76 1wr3 s LEU 5 CO 0.30 -1.10 1.25 -2.84 -1.32 0.00 0.00 176.35 172.64 1wr3 s PRO 6 N 4.33 2.76 -0.24 0.98 0.02 -1.26 -4.87 135.00 136.71 1wr3 s PRO 6 Ca 0.69 1.93 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 1wr3 s PRO 6 Cb -0.26 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 1wr3 s PRO 6 CO 0.27 -1.40 2.18 -2.14 -0.33 0.00 0.00 177.00 175.58 1wr3 s PRO 7 N -3.37 3.10 0.00 5.54 0.02 -1.26 -1.81 135.00 137.22 1wr3 s PRO 7 Ca 0.80 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1wr3 s PRO 7 Cb -0.34 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1wr3 s PRO 7 CO 0.36 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 1wr3 n GLY 8 N 5.74 1.46 3.74 0.52 0.00 -1.26 -4.95 105.19 110.44 1wr3 n GLY 8 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.83 3.79 -0.03 1.61 0.52 -0.75 0.22 118.94 123.47 1wr3 s TRP 9 Ca 0.00 1.66 0.04 0.00 0.02 0.00 0.00 56.10 57.83 1wr3 s TRP 9 Cb 0.00 -2.94 -0.01 0.00 -1.15 0.00 0.00 33.47 29.37 1wr3 s TRP 9 CO 0.00 0.25 -0.16 -2.00 0.02 0.00 0.00 176.95 175.07 1wr3 s GLU 10 N -0.10 1.47 -0.40 4.98 2.12 0.11 -4.93 118.70 121.95 1wr3 s GLU 10 Ca 0.43 -0.56 -0.27 0.00 0.36 0.00 0.00 54.97 54.93 1wr3 s GLU 10 Cb -0.22 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 32.84 1wr3 s GLU 10 CO 0.27 0.28 1.02 -2.00 -0.54 0.00 0.00 175.26 174.28 1wr3 s GLU 11 N -0.14 3.81 -0.04 4.30 2.12 -1.26 0.16 118.70 127.65 1wr3 s GLU 11 Ca 0.01 0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.97 1wr3 s GLU 11 Cb -0.09 -3.84 0.02 0.00 0.26 0.00 0.00 34.13 30.48 1wr3 s GLU 11 CO 0.01 -1.10 -0.06 0.15 -0.54 0.00 0.00 175.26 173.71 1wr3 s LYS 12 N 3.83 0.98 0.23 4.30 1.02 -0.15 -4.98 119.74 124.97 1wr3 s LYS 12 Ca 0.42 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.11 1wr3 s LYS 12 Cb -0.10 -0.92 -0.07 0.00 -0.52 0.00 0.00 37.83 36.21 1wr3 s LYS 12 CO 0.23 -0.03 0.57 0.54 -0.92 0.00 0.00 175.35 175.74 1wr3 s VAL 13 N 0.73 4.88 0.67 3.17 0.11 -1.26 0.32 120.40 129.02 1wr3 s VAL 13 Ca -0.11 0.60 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1wr3 s VAL 13 Cb -0.14 -3.64 0.12 0.00 -1.53 0.00 0.00 36.38 31.19 1wr3 s VAL 13 CO 0.01 -0.03 0.92 1.51 -3.33 0.00 0.00 175.10 174.18 1wr3 s ASP 14 N -2.24 4.60 0.54 3.54 -4.77 -0.70 -4.90 116.67 112.74 1wr3 s ASP 14 Ca 0.47 -0.60 0.28 0.00 -3.30 0.00 0.00 52.55 49.39 1wr3 s ASP 14 Cb -0.12 0.19 1.56 0.00 -1.09 0.00 0.00 42.92 43.46 1wr3 s ASP 14 CO 0.20 -1.70 2.13 -0.55 0.70 0.00 0.00 175.17 175.96 1wr3 h ASN 15 N -0.27 0.00 -0.01 2.11 7.08 -1.99 -2.08 115.58 120.42 1wr3 h ASN 15 Ca -0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 1wr3 h ASN 15 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 1wr3 h ASN 15 CO 0.39 0.08 -0.07 0.18 -2.08 0.00 0.00 177.43 175.93 1wr3 n LEU 16 N -3.73 2.31 0.00 6.14 4.32 -1.26 -4.93 117.00 119.85 1wr3 n LEU 16 Ca -0.02 -0.78 0.00 0.00 -0.02 0.00 0.00 56.01 55.19 1wr3 n LEU 16 Cb 0.19 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1wr3 n LEU 16 CO 0.29 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1wr3 n GLY 17 N 1.31 1.04 3.34 -0.72 0.00 -0.78 -5.05 105.19 104.33 1wr3 n GLY 17 Ca 0.15 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.78 2.99 -0.30 1.61 0.52 -1.26 -4.84 118.95 116.89 1wr3 s ARG 18 Ca 0.00 -1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 53.34 1wr3 s ARG 18 Cb 0.00 -4.25 -0.02 0.00 0.52 0.00 0.00 34.95 31.20 1wr3 s ARG 18 CO 0.00 -1.23 1.88 0.99 0.02 0.00 0.00 175.30 176.95 1wr3 s THR 19 N 1.62 3.39 0.52 0.02 2.01 -1.26 -1.73 115.64 120.21 1wr3 s THR 19 Ca 0.03 0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.46 1wr3 s THR 19 Cb -0.28 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1wr3 s THR 19 CO 0.04 -0.32 0.24 0.00 -0.69 0.00 0.00 174.62 173.89 1wr3 n TYR 20 N 10.47 0.08 -4.04 4.92 0.18 0.15 -4.81 117.16 124.11 1wr3 n TYR 20 Ca 0.24 -2.34 -0.31 0.00 1.88 0.00 0.00 57.90 57.38 1wr3 n TYR 20 Cb 0.46 -0.39 -0.16 0.00 -0.38 0.00 0.00 39.34 38.87 1wr3 n TYR 20 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1wr3 s TYR 21 N -2.71 2.33 -0.38 -3.48 2.02 -0.48 -0.98 117.35 113.67 1wr3 s TYR 21 Ca 0.18 -1.37 -0.13 0.00 -0.37 0.00 0.00 57.07 55.39 1wr3 s TYR 21 Cb -0.01 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1wr3 s TYR 21 CO 0.12 -0.71 0.25 0.54 -1.57 0.00 0.00 175.55 174.18 1wr3 s VAL 22 N 1.43 4.99 0.30 0.71 0.11 0.12 -2.69 120.40 125.38 1wr3 s VAL 22 Ca 0.04 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1wr3 s VAL 22 Cb -0.13 -3.73 -0.10 0.00 -1.53 0.00 0.00 36.38 30.88 1wr3 s VAL 22 CO -0.11 -0.22 1.30 0.21 -3.33 0.00 0.00 175.10 172.96 1wr3 s ASN 23 N 1.64 6.82 0.06 3.54 3.84 -0.72 -0.72 114.94 129.41 1wr3 s ASN 23 Ca 0.04 2.62 0.23 0.00 0.21 0.00 0.00 52.86 55.96 1wr3 s ASN 23 Cb -0.19 -2.64 0.16 0.00 -0.55 0.00 0.00 41.25 38.03 1wr3 s ASN 23 CO 0.09 -0.51 1.13 1.41 -2.79 0.00 0.00 177.10 176.43 1wr3 n HIS 24 N 1.18 0.30 0.00 0.43 8.25 0.13 -2.86 115.22 122.66 1wr3 n HIS 24 Ca 0.01 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1wr3 n HIS 24 Cb 0.42 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.94 0.00 0.19 0.41 3.02 -1.26 -4.49 115.26 111.18 1wr3 n ASN 25 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.65 1wr3 n ASN 25 Cb 0.42 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.83 1wr3 n ASN 25 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1wr3 h ASN 26 N 0.00 0.00 -3.33 6.41 -0.73 -1.98 -3.48 115.58 112.48 1wr3 h ASN 26 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1wr3 h ASN 26 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 38.32 38.65 1wr3 h ASN 26 CO 0.00 0.31 -0.26 0.54 -0.37 0.00 0.00 177.43 177.65 1wr3 n ARG 27 N -3.28 -1.91 -2.79 6.67 1.74 -1.14 -5.02 116.66 110.93 1wr3 n ARG 27 Ca 0.01 0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 1wr3 n ARG 27 Cb 0.57 -3.48 -0.03 0.00 -1.02 0.00 0.00 32.46 28.50 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wr3 s SER 28 N -3.39 6.94 -1.13 0.55 1.04 -1.25 -4.79 113.70 111.66 1wr3 s SER 28 Ca 0.03 1.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.57 1wr3 s SER 28 Cb -0.00 -2.48 0.27 0.00 0.10 0.00 0.00 66.02 63.90 1wr3 s SER 28 CO 0.24 -0.60 1.69 0.35 0.98 0.00 0.00 173.24 175.90 1wr3 n THR 29 N 5.32 5.26 -4.11 2.02 -2.24 -1.26 -1.75 114.28 117.52 1wr3 n THR 29 Ca 0.08 -5.51 -0.35 0.00 -2.27 0.00 0.00 64.05 56.01 1wr3 n THR 29 Cb 0.47 -2.05 -0.09 0.00 -2.10 0.00 0.00 70.33 66.56 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 -2.27 3.67 0.02 -0.78 -2.07 -1.09 -4.87 119.66 112.27 1wr3 s GLN 30 Ca 0.36 -0.35 0.25 0.00 -1.82 0.00 0.00 55.36 53.79 1wr3 s GLN 30 Cb 0.09 -3.09 0.43 0.00 -1.09 0.00 0.00 33.01 29.35 1wr3 s GLN 30 CO 0.03 0.42 1.36 -2.67 -1.32 0.00 0.00 175.29 173.11 1wr3 n TRP 31 N 3.06 0.11 1.64 9.60 2.14 -1.26 -1.38 117.44 131.34 1wr3 n TRP 31 Ca -0.17 0.03 0.07 0.00 2.07 0.00 0.00 57.50 59.50 1wr3 n TRP 31 Cb 0.53 -0.32 0.42 0.00 -0.81 0.00 0.00 31.31 31.13 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 -1.63 0.00 -1.05 -2.67 1.44 -1.26 -4.79 115.22 105.25 1wr3 n HIS 32 Ca 0.05 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.79 1wr3 n HIS 32 Cb 0.36 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.45 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 -0.77 -2.69 0.33 -1.40 3.00 -1.25 -4.48 116.66 109.40 1wr3 n ARG 33 Ca 0.11 2.11 0.22 0.00 -0.01 0.00 0.00 57.85 60.28 1wr3 n ARG 33 Cb 0.05 -2.73 1.10 0.00 0.00 0.00 0.00 32.46 30.88 1wr3 n ARG 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1wr3 h PRO 34 N -0.18 0.00 -1.94 5.56 0.11 -1.93 -3.42 132.00 130.20 1wr3 h PRO 34 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1wr3 h PRO 34 Cb 0.74 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.65 1wr3 h PRO 34 CO 0.01 0.00 0.22 -1.12 -0.21 0.00 0.00 178.00 176.91 1wr3 s SER 35 N -5.28 -0.64 0.00 -2.05 0.01 -1.26 -5.14 113.70 99.34 1wr3 s SER 35 Ca -0.04 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1wr3 s SER 35 Cb 0.12 0.70 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1wr3 s SER 35 CO 0.44 -0.50 0.45 -0.11 0.41 0.00 0.00 173.24 173.93