#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 0.00 -3.52 1.61 0.02 -2.08 -3.47 113.55 106.12 1wr3 h SER 2 Ca 0.00 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.30 1wr3 h SER 2 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1wr3 h SER 2 CO 0.00 0.74 0.00 -2.16 -1.14 0.00 0.00 176.83 174.27 1wr3 s PRO 3 N -1.98 4.01 0.76 3.45 0.04 -1.26 -5.08 135.00 134.95 1wr3 s PRO 3 Ca -0.11 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 1wr3 s PRO 3 Cb 0.01 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.89 1wr3 s PRO 3 CO 0.20 0.33 1.08 -2.14 0.04 0.00 0.00 177.00 176.52 1wr3 s PRO 4 N -2.44 2.35 0.65 0.56 0.02 -1.26 -5.02 135.00 129.87 1wr3 s PRO 4 Ca 0.46 1.03 -0.16 0.00 0.02 0.00 0.00 61.00 62.34 1wr3 s PRO 4 Cb -0.13 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 1wr3 s PRO 4 CO 0.19 -1.53 1.17 -0.48 -0.33 0.00 0.00 177.00 176.02 1wr3 s LEU 5 N -5.83 3.48 0.38 -5.54 2.34 -1.26 -4.90 118.68 107.35 1wr3 s LEU 5 Ca 0.60 2.24 -0.24 0.00 0.06 0.00 0.00 54.13 56.79 1wr3 s LEU 5 Cb -0.16 -4.58 -0.13 0.00 -0.56 0.00 0.00 46.19 40.76 1wr3 s LEU 5 CO 0.56 -1.79 0.77 -2.65 -1.06 0.00 0.00 176.35 172.18 1wr3 n PRO 6 N -2.18 0.90 -1.72 1.48 -0.02 -1.26 -4.82 135.00 127.38 1wr3 n PRO 6 Ca 0.12 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1wr3 n PRO 6 Cb 0.51 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1wr3 n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wr3 n PRO 7 N 0.50 2.77 0.00 0.52 -0.02 -1.26 -2.13 135.00 135.38 1wr3 n PRO 7 Ca 0.11 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1wr3 n PRO 7 Cb 0.37 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 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 3.87 1.96 3.67 -1.23 0.00 -1.26 -4.95 105.19 107.24 1wr3 n GLY 8 Ca 0.16 0.00 -0.41 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 -2.26 3.40 -0.11 1.61 0.52 -0.91 0.59 118.94 121.80 1wr3 s TRP 9 Ca 0.00 1.10 0.01 0.00 0.02 0.00 0.00 56.10 57.23 1wr3 s TRP 9 Cb 0.00 -2.91 -0.01 0.00 -1.15 0.00 0.00 33.47 29.40 1wr3 s TRP 9 CO 0.00 -0.20 -0.15 -2.00 0.02 0.00 0.00 176.95 174.62 1wr3 s GLU 10 N 2.00 3.17 -0.48 4.98 2.12 -0.04 -4.90 118.70 125.54 1wr3 s GLU 10 Ca 0.34 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 1wr3 s GLU 10 Cb -0.16 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.71 1wr3 s GLU 10 CO 0.11 0.28 1.33 -2.00 -0.54 0.00 0.00 175.26 174.45 1wr3 s GLU 11 N 0.15 3.53 -0.12 4.30 2.12 -1.26 -0.21 118.70 127.20 1wr3 s GLU 11 Ca -0.08 0.66 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1wr3 s GLU 11 Cb -0.15 -4.02 0.03 0.00 0.26 0.00 0.00 34.13 30.24 1wr3 s GLU 11 CO 0.05 -1.63 -0.09 0.15 -0.54 0.00 0.00 175.26 173.20 1wr3 s LYS 12 N 4.98 1.66 0.31 4.30 1.02 0.60 -4.97 119.74 127.65 1wr3 s LYS 12 Ca 0.54 -0.33 -0.21 0.00 0.02 0.00 0.00 55.97 55.99 1wr3 s LYS 12 Cb -0.11 -1.71 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1wr3 s LYS 12 CO 0.30 -0.27 0.85 0.54 -0.92 0.00 0.00 175.35 175.84 1wr3 s VAL 13 N 1.66 4.43 0.75 3.17 0.11 -1.26 0.26 120.40 129.52 1wr3 s VAL 13 Ca 0.05 1.46 -0.01 0.00 -2.93 0.00 0.00 61.98 60.55 1wr3 s VAL 13 Cb -0.13 -3.82 0.15 0.00 -1.53 0.00 0.00 36.38 31.05 1wr3 s VAL 13 CO -0.09 0.02 1.03 -0.90 -3.33 0.00 0.00 175.10 171.83 1wr3 n ASP 14 N 0.23 1.34 0.10 3.54 5.75 -0.77 -4.89 116.55 121.86 1wr3 n ASP 14 Ca 0.02 -2.14 0.02 0.00 -0.01 0.00 0.00 54.79 52.68 1wr3 n ASP 14 Cb 0.52 -0.67 0.39 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.64 0.26 0.14 -1.12 -1.07 -1.98 -2.75 115.58 108.41 1wr3 h ASN 15 Ca -0.34 -0.05 -0.27 0.00 0.07 0.00 0.00 56.30 55.71 1wr3 h ASN 15 Cb 1.25 -0.07 0.02 0.00 -2.07 0.00 0.00 38.32 37.45 1wr3 h ASN 15 CO 0.36 0.39 -1.09 -0.07 0.07 0.00 0.00 177.43 177.09 1wr3 h LEU 16 N 0.26 0.81 0.00 6.14 -0.00 -2.04 -3.47 115.31 117.01 1wr3 h LEU 16 Ca 0.06 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1wr3 h LEU 16 Cb 0.34 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1wr3 h LEU 16 CO 0.02 1.49 0.00 0.61 -0.00 0.00 0.00 178.44 180.56 1wr3 n GLY 17 N 1.16 1.04 3.35 0.83 0.00 -1.04 -5.11 105.19 105.42 1wr3 n GLY 17 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 2.81 -0.82 1.61 0.52 -1.26 -4.82 118.95 116.99 1wr3 s ARG 18 Ca 0.00 -1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 53.68 1wr3 s ARG 18 Cb 0.00 -3.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 1wr3 s ARG 18 CO 0.00 -0.89 1.89 0.99 0.02 0.00 0.00 175.30 177.32 1wr3 s THR 19 N 1.55 3.44 0.73 0.02 2.01 -1.26 -1.84 115.64 120.29 1wr3 s THR 19 Ca 0.03 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1wr3 s THR 19 Cb -0.22 -4.03 0.13 0.00 0.01 0.00 0.00 72.50 68.39 1wr3 s THR 19 CO 0.05 -0.98 1.00 -0.72 -0.69 0.00 0.00 174.62 173.28 1wr3 s TYR 20 N 9.55 1.56 -0.25 4.92 -0.85 0.14 -4.79 117.35 127.62 1wr3 s TYR 20 Ca 0.68 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.96 1wr3 s TYR 20 Cb -0.08 -3.01 0.04 0.00 0.38 0.00 0.00 41.96 39.29 1wr3 s TYR 20 CO 0.06 -1.74 -0.09 0.71 -1.52 0.00 0.00 175.55 172.97 1wr3 s TYR 21 N -3.16 3.14 -0.47 -3.49 2.02 0.39 -0.29 117.35 115.49 1wr3 s TYR 21 Ca 0.67 -1.92 -0.19 0.00 -0.37 0.00 0.00 57.07 55.25 1wr3 s TYR 21 Cb -0.05 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1wr3 s TYR 21 CO 0.45 -0.81 0.60 0.54 -1.57 0.00 0.00 175.55 174.75 1wr3 s VAL 22 N 1.22 4.90 0.00 0.71 0.11 0.70 -3.10 120.40 124.95 1wr3 s VAL 22 Ca -0.04 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1wr3 s VAL 22 Cb -0.18 -4.23 -0.06 0.00 -1.53 0.00 0.00 36.38 30.38 1wr3 s VAL 22 CO -0.05 -0.68 1.55 0.21 -3.33 0.00 0.00 175.10 172.79 1wr3 s ASN 23 N 2.34 6.72 0.41 3.54 3.84 -1.22 -0.86 114.94 129.73 1wr3 s ASN 23 Ca 0.17 2.25 0.22 0.00 0.21 0.00 0.00 52.86 55.71 1wr3 s ASN 23 Cb -0.17 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.73 1wr3 s ASN 23 CO 0.14 -0.83 1.75 0.45 -2.79 0.00 0.00 177.10 175.82 1wr3 h HIS 24 N 8.46 0.00 0.11 0.43 3.86 -0.22 0.35 115.15 128.15 1wr3 h HIS 24 Ca -0.39 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.81 1wr3 h HIS 24 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1wr3 h HIS 24 CO 0.80 0.26 -0.05 -0.91 0.86 0.00 0.00 177.93 178.89 1wr3 h ASN 25 N 0.00 -0.13 -0.00 2.45 2.35 -1.91 -3.37 115.58 114.97 1wr3 h ASN 25 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1wr3 h ASN 25 Cb 0.86 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1wr3 h ASN 25 CO 0.03 0.44 -0.30 -3.20 -1.65 0.00 0.00 177.43 172.76 1wr3 n ASN 26 N -4.89 0.61 -2.92 5.81 2.85 -1.25 -5.00 115.26 110.46 1wr3 n ASN 26 Ca -0.08 -0.80 -0.20 0.00 -0.11 0.00 0.00 54.58 53.38 1wr3 n ASN 26 Cb 0.28 0.82 0.05 0.00 1.24 0.00 0.00 39.78 42.17 1wr3 n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wr3 n ARG 27 N -0.88 -5.67 -2.36 1.20 5.12 0.12 -4.93 116.66 109.26 1wr3 n ARG 27 Ca 0.02 0.75 -0.37 0.00 -1.93 0.00 0.00 57.85 56.32 1wr3 n ARG 27 Cb 0.14 -5.42 -0.03 0.00 -1.16 0.00 0.00 32.46 25.98 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wr3 s SER 28 N -3.03 5.91 -1.24 0.55 0.01 -1.23 -4.78 113.70 109.89 1wr3 s SER 28 Ca 0.39 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 1wr3 s SER 28 Cb -0.17 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.62 1wr3 s SER 28 CO 0.49 -2.01 1.55 0.42 0.41 0.00 0.00 173.24 174.10 1wr3 s THR 29 N 6.96 4.63 0.10 1.44 -4.23 -1.26 -3.37 115.64 119.91 1wr3 s THR 29 Ca 0.52 -2.28 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1wr3 s THR 29 Cb -0.06 -5.03 -0.04 0.00 1.34 0.00 0.00 72.50 68.71 1wr3 s THR 29 CO 0.03 -1.79 0.08 0.00 -0.54 0.00 0.00 174.62 172.40 1wr3 s GLN 30 N 2.76 2.85 -0.34 3.99 1.03 -1.18 -4.91 119.66 123.86 1wr3 s GLN 30 Ca 0.47 -0.75 0.07 0.00 0.04 0.00 0.00 55.36 55.19 1wr3 s GLN 30 Cb 0.00 -2.68 0.52 0.00 0.03 0.00 0.00 33.01 30.88 1wr3 s GLN 30 CO 0.03 0.54 1.54 -2.67 -2.54 0.00 0.00 175.29 172.19 1wr3 n TRP 31 N 0.27 1.59 -0.05 9.60 2.14 -1.26 -0.46 117.44 129.26 1wr3 n TRP 31 Ca -0.09 -1.78 0.00 0.00 2.07 0.00 0.00 57.50 57.71 1wr3 n TRP 31 Cb 0.52 -0.60 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 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 -1.09 0.00 -1.16 -2.67 1.44 -1.26 -4.91 115.22 105.57 1wr3 n HIS 32 Ca 0.39 -0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1wr3 n HIS 32 Cb 1.10 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 31.18 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 -0.21 -3.27 -0.79 -1.40 0.63 -1.26 -4.59 116.66 105.76 1wr3 n ARG 33 Ca 0.00 2.39 -0.16 0.00 -0.92 0.00 0.00 57.85 59.16 1wr3 n ARG 33 Cb 0.13 -2.66 -0.08 0.00 0.45 0.00 0.00 32.46 30.30 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 -0.32 1.91 -3.91 -0.14 -0.04 -1.26 -4.74 135.00 126.50 1wr3 n PRO 34 Ca 0.00 -1.12 -0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1wr3 n PRO 34 Cb 0.00 -2.15 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 1wr3 n PRO 34 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wr3 s SER 35 N 2.62 -0.00 0.00 3.54 1.04 -1.26 -4.92 113.70 114.71 1wr3 s SER 35 Ca 0.48 -0.42 0.22 0.00 0.48 0.00 0.00 55.95 56.71 1wr3 s SER 35 Cb 0.18 0.31 0.17 0.00 0.10 0.00 0.00 66.02 66.79 1wr3 s SER 35 CO -0.02 -0.62 1.19 -0.11 0.98 0.00 0.00 173.24 174.67