#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 n SER 2 N 0.00 -1.35 -4.83 1.61 3.41 -1.26 -5.14 113.62 106.06 1wr3 n SER 2 Ca 0.00 0.47 -0.32 0.00 -0.26 0.00 0.00 58.87 58.76 1wr3 n SER 2 Cb 0.00 1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 65.34 1wr3 n SER 2 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wr3 s PRO 3 N -2.00 3.76 0.00 4.33 0.04 -1.26 -4.96 135.00 134.91 1wr3 s PRO 3 Ca 0.00 1.01 0.28 0.00 0.04 0.00 0.00 61.00 62.33 1wr3 s PRO 3 Cb 0.00 -2.10 1.19 0.00 0.04 0.00 0.00 34.50 33.62 1wr3 s PRO 3 CO 0.00 -0.43 1.89 -0.35 0.04 0.00 0.00 177.00 178.15 1wr3 n PRO 4 N -1.78 0.00 -2.31 0.56 -0.04 -1.26 -4.80 135.00 125.38 1wr3 n PRO 4 Ca 0.07 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1wr3 n PRO 4 Cb 0.54 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -3.03 4.30 0.67 1.53 2.96 -1.26 -5.00 118.68 118.85 1wr3 s LEU 5 Ca 0.13 2.00 -0.16 0.00 -0.22 0.00 0.00 54.13 55.88 1wr3 s LEU 5 Cb 0.18 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1wr3 s LEU 5 CO 0.51 -0.68 1.19 -2.84 -1.32 0.00 0.00 176.35 173.21 1wr3 s PRO 6 N 2.39 2.56 0.17 0.98 0.02 -1.26 -4.93 135.00 134.92 1wr3 s PRO 6 Ca 0.61 1.71 -0.32 0.00 0.02 0.00 0.00 61.00 63.02 1wr3 s PRO 6 Cb -0.29 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 1wr3 s PRO 6 CO 0.25 -1.50 1.66 -2.14 -0.33 0.00 0.00 177.00 174.94 1wr3 s PRO 7 N -3.75 4.17 0.00 5.54 0.02 -1.26 -2.25 135.00 137.47 1wr3 s PRO 7 Ca 0.74 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.24 1wr3 s PRO 7 Cb -0.28 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1wr3 s PRO 7 CO 0.40 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1wr3 n GLY 8 N 3.91 0.77 3.52 0.52 0.00 -1.26 -4.99 105.19 107.66 1wr3 n GLY 8 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 2.94 -0.06 1.61 0.52 -0.96 0.89 118.94 121.89 1wr3 s TRP 9 Ca 0.00 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 55.97 1wr3 s TRP 9 Cb 0.00 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1wr3 s TRP 9 CO 0.00 0.14 -0.13 -1.21 0.02 0.00 0.00 176.95 175.77 1wr3 s GLU 10 N -0.27 1.63 -0.22 4.98 2.02 -0.01 -4.92 118.70 121.90 1wr3 s GLU 10 Ca 0.04 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.29 1wr3 s GLU 10 Cb -0.13 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1wr3 s GLU 10 CO 0.02 0.08 1.15 -2.00 0.02 0.00 0.00 175.26 174.54 1wr3 s GLU 11 N 0.47 4.21 0.14 1.61 2.12 -1.26 0.07 118.70 126.06 1wr3 s GLU 11 Ca -0.11 1.44 0.02 0.00 0.36 0.00 0.00 54.97 56.68 1wr3 s GLU 11 Cb -0.14 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1wr3 s GLU 11 CO 0.03 -0.72 -0.03 0.15 -0.54 0.00 0.00 175.26 174.15 1wr3 s LYS 12 N 3.43 1.01 0.01 4.30 3.01 0.83 -4.96 119.74 127.37 1wr3 s LYS 12 Ca 0.49 -1.46 0.07 0.00 -1.01 0.00 0.00 55.97 54.07 1wr3 s LYS 12 Cb -0.17 -0.28 -0.02 0.00 -1.01 0.00 0.00 37.83 36.34 1wr3 s LYS 12 CO 0.11 -0.07 -0.22 0.08 0.51 0.00 0.00 175.35 175.76 1wr3 s VAL 13 N -3.61 1.78 0.16 3.17 1.01 -1.26 0.45 120.40 122.10 1wr3 s VAL 13 Ca 0.19 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1wr3 s VAL 13 Cb 0.05 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1wr3 s VAL 13 CO 0.01 0.41 0.21 -0.90 0.00 0.00 0.00 175.10 174.83 1wr3 n ASP 14 N 2.26 0.17 0.26 3.32 5.75 -1.09 -4.92 116.55 122.29 1wr3 n ASP 14 Ca -0.16 -1.17 0.14 0.00 -0.01 0.00 0.00 54.79 53.59 1wr3 n ASP 14 Cb 0.53 -0.15 0.64 0.00 -1.03 0.00 0.00 41.12 41.11 1wr3 n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wr3 h ASN 15 N -0.19 0.00 0.35 -1.12 -1.07 -2.01 -3.02 115.58 108.51 1wr3 h ASN 15 Ca -0.07 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 55.98 1wr3 h ASN 15 Cb 0.23 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.45 1wr3 h ASN 15 CO 0.06 0.11 -1.76 -0.07 0.07 0.00 0.00 177.43 175.84 1wr3 h LEU 16 N 0.00 0.26 0.00 6.14 4.07 -2.05 -3.48 115.31 120.24 1wr3 h LEU 16 Ca -0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1wr3 h LEU 16 Cb 0.53 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1wr3 h LEU 16 CO 0.01 1.44 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 1wr3 n GLY 17 N 1.75 1.76 3.49 0.83 0.00 -1.14 -5.09 105.19 106.78 1wr3 n GLY 17 Ca -0.22 0.00 -0.43 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 0.00 3.24 -0.47 1.61 0.52 -1.26 -4.84 118.95 117.75 1wr3 s ARG 18 Ca 0.00 -0.52 -0.27 0.00 -0.52 0.00 0.00 55.73 54.42 1wr3 s ARG 18 Cb 0.00 -4.07 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 1wr3 s ARG 18 CO 0.00 -1.36 1.96 0.99 0.02 0.00 0.00 175.30 176.91 1wr3 s THR 19 N 3.37 3.31 0.44 0.02 2.01 -1.26 -2.68 115.64 120.85 1wr3 s THR 19 Ca 0.24 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.55 1wr3 s THR 19 Cb -0.15 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1wr3 s THR 19 CO 0.16 -0.53 0.14 -0.72 -0.69 0.00 0.00 174.62 172.98 1wr3 s TYR 20 N 8.89 2.40 -0.21 4.92 1.13 0.17 -4.78 117.35 129.87 1wr3 s TYR 20 Ca 0.79 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 55.78 1wr3 s TYR 20 Cb -0.18 -1.87 0.05 0.00 -1.10 0.00 0.00 41.96 38.86 1wr3 s TYR 20 CO 0.27 0.19 -0.11 0.71 -2.51 0.00 0.00 175.55 174.10 1wr3 s TYR 21 N -2.68 2.62 -0.34 -3.49 2.02 -0.66 -0.12 117.35 114.70 1wr3 s TYR 21 Ca 0.34 -1.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.12 1wr3 s TYR 21 Cb 0.04 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1wr3 s TYR 21 CO 0.19 -0.78 0.45 0.54 -1.57 0.00 0.00 175.55 174.38 1wr3 s VAL 22 N 1.33 5.08 0.30 0.71 0.11 0.11 -3.48 120.40 124.56 1wr3 s VAL 22 Ca -0.03 0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 1wr3 s VAL 22 Cb -0.17 -3.89 -0.10 0.00 -1.53 0.00 0.00 36.38 30.69 1wr3 s VAL 22 CO -0.08 -0.14 1.22 0.21 -3.33 0.00 0.00 175.10 172.98 1wr3 s ASN 23 N 1.74 6.99 -0.04 3.54 3.84 -1.16 -0.83 114.94 129.02 1wr3 s ASN 23 Ca 0.16 2.49 0.18 0.00 0.21 0.00 0.00 52.86 55.90 1wr3 s ASN 23 Cb -0.16 -2.64 0.57 0.00 -0.55 0.00 0.00 41.25 38.47 1wr3 s ASN 23 CO 0.12 -0.37 1.48 1.41 -2.79 0.00 0.00 177.10 176.95 1wr3 n HIS 24 N 1.08 0.97 -0.02 0.43 8.25 0.26 -2.25 115.22 123.94 1wr3 n HIS 24 Ca -0.00 -0.55 -0.04 0.00 -0.26 0.00 0.00 57.72 56.87 1wr3 n HIS 24 Cb 0.43 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 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 1.07 1.38 0.01 0.41 3.02 -1.26 -4.72 115.26 115.17 1wr3 n ASN 25 Ca 0.21 0.21 0.11 0.00 -0.03 0.00 0.00 54.58 55.08 1wr3 n ASN 25 Cb 0.66 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.84 0.66 -3.67 6.41 5.15 -1.26 -4.98 115.26 113.73 1wr3 n ASN 26 Ca -0.06 -0.40 -0.25 0.00 -0.60 0.00 0.00 54.58 53.26 1wr3 n ASN 26 Cb 0.24 0.75 0.07 0.00 -0.53 0.00 0.00 39.78 40.30 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 -7.29 -2.50 1.20 1.74 -0.95 -4.93 116.66 102.17 1wr3 n ARG 27 Ca 0.03 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1wr3 n ARG 27 Cb 0.39 -5.78 -0.02 0.00 -1.02 0.00 0.00 32.46 26.03 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 -3.38 6.37 -1.26 0.55 0.01 -1.26 -4.77 113.70 109.97 1wr3 s SER 28 Ca 0.58 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 1wr3 s SER 28 Cb -0.26 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.59 1wr3 s SER 28 CO 0.76 -1.51 1.76 0.35 0.41 0.00 0.00 173.24 175.01 1wr3 n THR 29 N 6.80 4.32 -4.14 1.44 -2.24 -1.26 -2.99 114.28 116.21 1wr3 n THR 29 Ca 0.11 -4.49 -0.36 0.00 -2.27 0.00 0.00 64.05 57.05 1wr3 n THR 29 Cb 0.49 -2.39 -0.08 0.00 -2.10 0.00 0.00 70.33 66.25 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 0.73 3.33 0.00 -0.78 -2.07 -1.23 -4.92 119.66 114.72 1wr3 s GLN 30 Ca 0.41 -0.30 0.25 0.00 -1.82 0.00 0.00 55.36 53.89 1wr3 s GLN 30 Cb 0.06 -3.01 0.50 0.00 -1.09 0.00 0.00 33.01 29.48 1wr3 s GLN 30 CO 0.00 0.64 1.42 -2.67 -1.32 0.00 0.00 175.29 173.37 1wr3 n TRP 31 N 2.37 0.00 0.42 9.60 2.14 -1.26 -1.66 117.44 129.04 1wr3 n TRP 31 Ca -0.19 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.46 1wr3 n TRP 31 Cb 0.54 -0.03 0.22 0.00 -0.81 0.00 0.00 31.31 31.23 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 0.20 0.66 -1.04 -2.67 1.44 -1.26 -4.69 115.22 107.85 1wr3 n HIS 32 Ca 0.14 -0.33 0.03 0.00 -2.01 0.00 0.00 57.72 55.54 1wr3 n HIS 32 Cb 0.44 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.54 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 0.96 -2.67 -0.24 -1.40 0.63 -1.26 -4.27 116.66 108.41 1wr3 n ARG 33 Ca 0.17 2.10 -0.10 0.00 -0.92 0.00 0.00 57.85 59.09 1wr3 n ARG 33 Cb 0.42 -2.70 -0.02 0.00 0.45 0.00 0.00 32.46 30.62 1wr3 n ARG 33 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1wr3 n PRO 34 N -2.56 0.48 -4.09 -0.14 -0.02 -1.26 -4.50 135.00 122.92 1wr3 n PRO 34 Ca -0.01 -0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 60.37 1wr3 n PRO 34 Cb 0.36 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1wr3 n PRO 34 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wr3 n SER 35 N 5.28 -1.65 0.00 2.55 7.64 -1.26 -5.15 113.62 121.03 1wr3 n SER 35 Ca 0.15 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1wr3 n SER 35 Cb 0.08 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 1wr3 n SER 35 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92